| 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 | 35.2 | Very low | 35.4 | Very low | 226 Ų | 226 | 151.2 Ų | 151.2 | 100% | 1.113 | 76% | 0.756 | S | S | * | * | 0 | 103.3 | 0 | -66.1 | 169.1 | -177.5 | 0 | 0 | 105.5 | |||||
| 2 | N | 32.2 | Very low | 35.4 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | 76.3 | 107.4 | 82.8 | -64.4 | 21 | 0 | 0 | 0 | 109.7 | |||||
| 3 | F | 32.2 | Very low | 35.8 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | 86 | 125.6 | 54.9 | -85.9 | -56.2 | 0 | 0 | 0 | 113.4 | |||||
| 4 | L | 34.7 | Very low | 35.9 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 74 | 154.7 | 145.8 | -61.7 | 166.9 | 0 | 0 | 0 | 116.4 | ||||
| 5 | M | 34.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 59% | 0.591 | 76% | 0.758 | S | S | * | * | cis | -157.3 | 153.4 | 12.5 | -142.5 | 176.3 | -54.9 | 0 | 0 | 114.7 | ||||
| 6 | R | 35.6 | Very low | 36.1 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 64.9 | 127.6 | 150.3 | -82.5 | 158.8 | -176.9 | 162.6 | 0.5 | 118.9 | ||||
| 7 | D | 28 | Very low | 35.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | 78.2 | 149.2 | 61.1 | -67.2 | -48.5 | 0 | 0 | 0 | 112.8 | |||||
| 8 | P | 47 | Very low | 35.6 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | cis | -115.2 | 168.9 | 20 | 15.7 | 9.7 | 0 | 0 | 0 | 115.3 | ||||
| 9 | V | 35.9 | Very low | 35.7 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | cis | 76.1 | 129.8 | 44.8 | 142.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 10 | I | 38.7 | Very low | 35.6 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 68% | 0.677 | 76% | 0.76 | S | S | * | * | cis | -155.6 | 175.4 | 16.6 | -132.2 | 172 | 0 | 0 | 0 | 115 | ||||
| 11 | Q | 35 | Very low | 35.9 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -15.8 | 163.7 | 169.8 | -61.4 | 152 | -92.5 | 0 | 0 | 122.3 | ||||
| 12 | G | 36 | Very low | 36.1 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | cis | 152.2 | -173.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 13 | S | 39.7 | Very low | 36.1 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 64.5 | 147.6 | 155.3 | 48 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 14 | S | 38.1 | Very low | 36.2 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -173.3 | 172.9 | -18.8 | -164.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 15 | M | 36.2 | Very low | 36.2 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | 84.1 | 143.7 | 158 | -53.7 | -50.1 | -96.8 | 0 | 0 | 120.5 | ||||
| 16 | A | 38.1 | Very low | 36.8 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | cis | -164.6 | 167.6 | -17.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 17 | Y | 32 | Very low | 36.4 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -43 | 171 | 170.6 | -66.6 | -100.6 | 0 | 0 | 0 | 117.9 | ||||
| 18 | H | 32.2 | Very low | 36.5 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -146.9 | 159.2 | 25.2 | -85.8 | -85.9 | 0 | 0 | 0 | 114.4 | ||||
| 19 | P | 37.7 | Very low | 36 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -92 | 154.1 | 163.2 | 36.8 | -32.8 | 0 | 0 | 0 | 113.4 | ||||
| 20 | F | 34 | Very low | 35.8 | Very low | 215 Ų | 215 | 145 Ų | 145 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | trans | -88.5 | 141.2 | 175.4 | -75.9 | -94.1 | 0 | 0 | 0 | 113.1 | ||||
| 21 | I | 40.2 | Very low | 35.6 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -135.5 | 137 | 167.3 | -64 | -179.1 | 0 | 0 | 0 | 107.7 | ||||
| 22 | P | 41 | Very low | 35.5 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 156.8 | -174 | 29.4 | -36.1 | 0 | 0 | 0 | 114.4 | ||||
| 23 | H | 31.1 | Very low | 35.3 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 150.7 | -173.1 | -61.6 | -92 | 0 | 0 | 0 | 115.1 | ||||
| 24 | R | 34.6 | Very low | 35 | Very low | 250 Ų | 250 | 148.1 Ų | 148.1 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | -134.3 | 144.4 | 160.1 | -161.5 | 171.4 | -172.2 | 143.4 | 0.9 | 108.9 | ||||
| 25 | G | 35.5 | Very low | 34.5 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 163.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 26 | P | 45.7 | Very low | 34.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 151.6 | -169.9 | 32.6 | -36.5 | 0 | 0 | 0 | 114 | ||
| 27 | E | 27.3 | Very low | 34.4 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81 | 156 | 162.1 | -62.5 | -177 | 127.2 | 0 | 0 | 111.2 | ||
| 28 | F | 31.4 | Very low | 34.7 | Very low | 206 Ų | 206 | 147.6 Ų | 147.6 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -137.3 | 127.5 | 149.3 | -110.9 | -84.6 | 0 | 0 | 0 | 107.7 | ||||
| 29 | A | 34.8 | Very low | 35.4 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -130 | 123.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 30 | M | 32.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -143.2 | 146.8 | 166 | -59.8 | -165.9 | -51 | 0 | 0 | 108.3 | H499 | M30-H499 PolarHBondContact SD-CE1 3.33Å; M30-H499 PolarHBondContact SD-NE2 3.08Å; M30-H499 VanDerWaalsContact SD-NE2 3.45Å | ||
| 31 | S | 34.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -122.8 | 135.9 | 175.8 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 32 | A | 33.8 | Very low | 35.2 | Very low | 75 Ų | 75 | 146.7 Ų | 146.7 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | 162.1 | 158.3 | 107.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 33 | M | 30.7 | Very low | 34.7 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | 53.9 | 124.3 | 158.2 | 55.4 | -119.2 | 171.9 | 0 | 0 | 123.9 | ||||
| 34 | L | 33.9 | Very low | 34.7 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | trans | 70.4 | 125 | 144.7 | -111.4 | 68.3 | 0 | 0 | 0 | 121 | ||||
| 35 | G | 27.7 | Very low | 34.4 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 160.9 | 85.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 36 | H | 32.9 | Very low | 34.3 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | 17 | 132.9 | 156.2 | -85.4 | 77.6 | 0 | 0 | 0 | 122.7 | ||||
| 37 | Q | 39.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | -60.2 | 155.6 | 152 | -76.3 | -85.5 | -53.9 | 0 | 0 | 111.6 | ||||
| 38 | P | 37 | Very low | 34.7 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | -139 | 148.8 | 108.4 | 37.7 | -28.1 | 0 | 0 | 0 | 114.8 | |||||
| 39 | P | 47.5 | Very low | 34.6 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | trans | -94.8 | 152.8 | 172.3 | 37.1 | -33.4 | 0 | 0 | 0 | 112.6 | ||||
| 40 | F | 31.8 | Very low | 34.4 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -143.6 | 118.5 | 161.9 | -86.9 | -74.5 | 0 | 0 | 0 | 112.3 | ||||
| 41 | F | 36.8 | Very low | 34.3 | Very low | 201 Ų | 201 | 134 Ų | 134 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -106.6 | 152.7 | 150.5 | -83.7 | -82.9 | 0 | 0 | 0 | 108 | ||||
| 42 | P | 40.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -83.4 | 145.1 | -174.6 | 32.9 | -34.8 | 0 | 0 | 0 | 113.1 | ||||
| 43 | A | 29.7 | Very low | 33.9 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -138.6 | 144.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 44 | L | 31 | Very low | 33.9 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 98% | 0.984 | 82% | 0.823 | S | S | * | * | trans | -83 | 152.2 | -178.1 | -80.3 | 163.4 | 0 | 0 | 0 | 112 | ||||
| 45 | A | 29.1 | Very low | 34.2 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -107.9 | 148.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 46 | L | 32.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -139.1 | 147.5 | 152.8 | -79.4 | 178.1 | 0 | 0 | 0 | 109.1 | ||||
| 47 | P | 40.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -98.8 | 152.8 | -166.7 | 37.3 | -35.5 | 0 | 0 | 0 | 114.8 | ||||
| 48 | P | 39.7 | Very low | 33.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -96.1 | 158.4 | 167.9 | 37.2 | -33.1 | 0 | 0 | 0 | 112.8 | ||||
| 49 | S | 31.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -160.8 | 147.6 | 167.1 | -77.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 50 | G | 29.9 | Very low | 32.9 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 113.3 | 132.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 51 | S | 29.5 | Very low | 33.9 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -143.3 | -176 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 52 | L | 29.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 118.6 Ų | 118.6 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 78.6 | 149 | -179.4 | -42.5 | 178.9 | 0 | 0 | 0 | 113.5 | ||||
| 53 | S | 30.4 | Very low | 33.2 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -144.9 | 171.3 | 16.3 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 54 | L | 31.3 | Very low | 33.2 | Very low | 158 Ų | 158 | 118 Ų | 118 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -65.4 | 173.5 | 168.1 | -112.2 | 77.5 | 0 | 0 | 0 | 111.7 | ||||
| 55 | P | 38.6 | Very low | 33.3 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | cis | -139.1 | 179.9 | 33.8 | 42.2 | -23.5 | 0 | 0 | 0 | 117 | ||||
| 56 | G | 27.8 | Very low | 33.5 | Very low | 71 Ų | 71 | 113 Ų | 113 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | trans | -146.5 | 154.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 57 | A | 32 | Very low | 33.4 | Very low | 97 Ų | 97 | 113 Ų | 113 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | -161.4 | 138.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 58 | L | 32.9 | Very low | 32.8 | Very low | 184 Ų | 184 | 108.7 Ų | 108.7 | 96% | 0.963 | 68% | 0.679 | S | S | * | * | trans | 53.5 | 136.2 | 145.9 | -153.5 | 71.2 | 0 | 0 | 0 | 120.4 | ||||
| 59 | G | 31.3 | Very low | 32.5 | Very low | 72 Ų | 72 | 107.4 Ų | 107.4 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | trans | 103.6 | 166 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 60 | K | 33.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 105.7 Ų | 105.7 | 44% | 0.435 | 67% | 0.673 | S | S | . | * | trans | -160.9 | -58.1 | -158.9 | -162.3 | 170.6 | -177.8 | 176.3 | 0 | 117.5 | G480 T482 | K60-G480 VanDerWaalsContact CE-O 3.25Å; K60-G480 WeakPolarHBondContact CE-O 3.39Å; K60-G480 PolarHBondContact NZ-O 3.17Å; K60-T482 VanDerWaalsContact NZ-CG2 3.33Å; K60-T482 PolarHBondContact NZ-OG1 2.9Å | ||
| 61 | P | 52.4 | Low | 32.4 | Very low | 41 Ų | 41 | 108.8 Ų | 108.8 | 27% | 0.266 | 67% | 0.67 | S | S | . | * | trans | 2.7 | -152.8 | -149.1 | 36.6 | -18.4 | 0 | 0 | 0 | 123.9 | F477 P478 | P61-F477 HydrophobicContact CB-CB 4.04Å; P61-F477 HydrophobicContact CB-CD1 4.26Å; P61-F477 HydrophobicContact CG-CB 4.21Å; P61-F477 HydrophobicContact CG-CD1 4.35Å; P61-P478 HydrophobicContact CB-CG 3.6Å; P61-P478 WeakPolarHBondContact CB-O 3.49Å; P61-P478 WeakPolarHBondContact CG-O 3.31Å | ||
| 62 | I | 31.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 109.9 Ų | 109.9 | 65% | 0.646 | 67% | 0.673 | S | S | * | * | trans | -166 | -168.4 | 160.6 | -49.3 | -161.3 | 0 | 0 | 0 | 106.8 | F477 P478 | I62-F477 WeakPolarHBondContact O-CD2 3.35Å; I62-F477 VanDerWaalsContact O-CG 3.29Å; I62-F477 WeakPolarHBondContact O-CG 3.14Å; I62-P478 HydrophobicContact CB-CG 4.1Å; I62-P478 HydrophobicContact CG1-CG 4.26Å; I62-P478 HydrophobicContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact N-CD 3.33Å | ||
| 63 | M | 31.1 | Very low | 32.4 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 47% | 0.468 | 66% | 0.663 | S | S | . | * | trans | 74.4 | 87.9 | 178 | -159.8 | 177.4 | -174.7 | 0 | 0 | 114 | G476 F477 | M63-G476 WeakPolarHBondContact CB-O 3.44Å; M63-F477 WeakPolarHBondContact O-CE2 3.45Å | ||
| 64 | D | 31.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 106.7 Ų | 106.7 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | 71 | 141.4 | 78.2 | -166 | 29 | 0 | 0 | 0 | 113.9 | |||||
| 65 | Q | 32 | Very low | 32.5 | Very low | 101 Ų | 101 | 107.4 Ų | 107.4 | 47% | 0.472 | 66% | 0.661 | S | S | . | * | trans | 62.1 | 136.4 | 180 | -58.6 | -166.6 | 0.8 | 0 | 0 | 117.7 | F475 | Q65-F475 WeakPolarHBondContact O-CD1 3.36Å; Q65-F475 WeakPolarHBondContact O-CE1 3.42Å | ||
| 66 | L | 33.6 | Very low | 32 | Very low | 74 Ų | 74 | 110.8 Ų | 110.8 | 39% | 0.387 | 66% | 0.663 | S | S | . | * | cis | -153.7 | 163.3 | 11.8 | -155 | 75.7 | 0 | 0 | 0 | 113.1 | L472 H473 | L66-L472 WeakPolarHBondContact CD2-O 3.24Å; L66-H473 HydrophobicContact CB-CB 4.37Å; L66-H473 PolarHBondContact O-CE1 3.2Å | ||
| 67 | M | 29.7 | Very low | 32.4 | Very low | 171 Ų | 171 | 112.4 Ų | 112.4 | 84% | 0.842 | 66% | 0.663 | S | S | * | * | trans | -85.3 | 135.6 | 161.7 | 160.9 | 66.9 | 176.3 | 0 | 0 | 110.8 | H473 | M67-H473 PolarHBondContact O-NE2 3.41Š| ||
| 68 | G | 29.2 | Very low | 32.2 | Very low | 25 Ų | 25 | 113.1 Ų | 113.1 | 26% | 0.258 | 66% | 0.662 | S | S | . | * | trans | 157.6 | 81.9 | 169 | 0 | 0 | 0 | 0 | 0 | 120.3 | H473 | G68-H473 WeakPolarHBondContact CA-NE2 3.37Å; G68-H473 PolarHBondContact N-CE1 3.28Å; G68-H473 PolarHBondContact N-NE2 3.48Å; G68-H473 PolarHBondContact O-NE2 3.26Å | ||
| 69 | A | 32.4 | Very low | 32.4 | Very low | 95 Ų | 95 | 112.3 Ų | 112.3 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | 63.8 | 159.9 | 138.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 70 | A | 30.7 | Very low | 32.3 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | trans | 69.3 | 138.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 71 | D | 29.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 116.7 Ų | 116.7 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | cis | -162.9 | 172.8 | -12.3 | -143.8 | -35 | 0 | 0 | 0 | 112.2 | ||||
| 72 | T | 31.1 | Very low | 31.6 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | trans | 73.5 | 151.8 | 159.3 | 71.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 73 | G | 28.5 | Very low | 31.7 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | trans | 103.5 | 54.7 | 159 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 74 | L | 32.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | 62.6 | 108.9 | 87.1 | -62.6 | -175.7 | 0 | 0 | 0 | 117.8 | |||||
| 75 | H | 30.5 | Very low | 32.4 | Very low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 47.8 | 122.9 | 149.9 | -56.9 | -79.5 | 0 | 0 | 0 | 122.4 | ||||
| 76 | F | 28.7 | Very low | 32.6 | Very low | 199 Ų | 199 | 122.4 Ų | 122.4 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | -159.9 | 153.8 | 100.9 | -160.2 | -106.4 | 0 | 0 | 0 | 111.5 | |||||
| 77 | S | 35.9 | Very low | 33.1 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 136.6 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 78 | S | 29.1 | Very low | 33.6 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -142.9 | 99.5 | 167 | -160.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 79 | L | 36.8 | Very low | 34.2 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | 45.5 | 83.2 | 133.5 | -157.1 | 70.9 | 0 | 0 | 0 | 120.1 | ||||
| 80 | G | 28.3 | Very low | 34.4 | Very low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | 72.3 | 136.6 | 124.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 81 | H | 37 | Very low | 34.6 | Very low | 201 Ų | 201 | 140 Ų | 140 | 93% | 0.931 | 81% | 0.811 | S | S | * | * | -155.1 | 152.7 | 112.9 | -101.8 | 77 | 0 | 0 | 0 | 109.2 | |||||
| 82 | Q | 34.7 | Very low | 34.8 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -88.5 | 136 | 176.6 | -69.8 | -178.8 | -6.1 | 0 | 0 | 111.7 | ||||
| 83 | A | 33.9 | Very low | 34.9 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -157.3 | 142.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 84 | A | 39.5 | Very low | 35.5 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -92.7 | 134.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 85 | A | 36.4 | Very low | 35.7 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -140.6 | 134.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | H87 | A85-H87 PolarHBondContact O-N 3.23Š| ||
| 86 | A | 37.6 | Very low | 36.4 | Very low | 88 Ų | 88 | 145 Ų | 145 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -54.1 | 111.4 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | L88 | A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 3.21Å | ||
| 87 | H | 42.8 | Very low | 37 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | 28.8 | 48.5 | 117.6 | -153.2 | -52.8 | 0 | 0 | 0 | 119 | A85 R89 | A85-H87 PolarHBondContact O-N 3.23Å; H87-R89 PolarHBondContact O-N 3.44Å | |||
| 88 | L | 41.1 | Very low | 37.6 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -75.8 | 107.8 | 166.4 | -68.6 | -177 | 0 | 0 | 0 | 109.9 | A86 | A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 3.21Å | ||
| 89 | R | 42 | Very low | 38.9 | Very low | 206 Ų | 206 | 150.7 Ų | 150.7 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 139.1 | 165.6 | -65.3 | -177 | -178.2 | 177.5 | 0.4 | 108.4 | H87 L91 | H87-R89 PolarHBondContact O-N 3.44Å; R89-L91 PolarHBondContact O-N 2.76Å |
| 90 | P | 36.9 | Very low | 40 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126.1 | 157.7 | -22.2 | 33.6 | 0 | 0 | 0 | 108.4 | K92 | P90-K92 PolarHBondContact O-N 2.91Š|
| 91 | L | 34.2 | Very low | 42.2 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.8 | 167.1 | -92.1 | 164.9 | 0 | 0 | 0 | 107.5 | R89 T93 | R89-L91 PolarHBondContact O-N 2.76Å; L91-T93 PolarHBondContact O-N 3.25Å |
| 92 | K | 33.5 | Very low | 44.3 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 131.6 | 164.7 | -72.1 | -174.1 | 172.1 | -169 | 0 | 107 | P90 L94 | P90-K92 PolarHBondContact O-N 2.91Å; K92-L94 PolarHBondContact O-N 3.2Å; K92-L94 VanDerWaalsContact O-N 3.1Å |
| 93 | T | 33.9 | Very low | 46.9 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -44 | 123 | 155.7 | -53 | 0 | 0 | 0 | 0 | 106.3 | L91 E95 | L91-T93 PolarHBondContact O-N 3.25Å; T93-E95 PolarHBondContact O-N 3.23Å; T93-E95 VanDerWaalsContact O-N 3.13Å | ||
| 94 | L | 40.1 | Very low | 49.7 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | trans | -59.9 | 123.5 | 171.8 | -69 | 171.5 | 0 | 0 | 0 | 105.8 | K92 | K92-L94 PolarHBondContact O-N 3.2Å; K92-L94 VanDerWaalsContact O-N 3.1Å | ||
| 95 | E | 36.5 | Very low | 52.3 | Low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | -43.6 | 144.3 | 156.6 | -50.2 | -86.2 | 106.9 | 0 | 0 | 106.5 | T93 E97 | T93-E95 PolarHBondContact O-N 3.23Å; T93-E95 VanDerWaalsContact O-N 3.13Å; E95-E97 PolarHBondContact O-N 3.13Å | ||
| 96 | P | 44.4 | Very low | 55.2 | Low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 65% | 0.652 | S | S | * | * | trans | -49.9 | 122.5 | 157 | -16.8 | 29.9 | 0 | 0 | 0 | 105.8 | E98 | P96-E98 PolarHBondContact O-N 2.8Š| ||
| 97 | E | 43.1 | Very low | 58 | Low | 185 Ų | 185 | 128.9 Ų | 128.9 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | trans | -55.5 | 118.6 | 159 | -77 | -158 | 138.8 | 0 | 0 | 104 | E95 E99 | E95-E97 PolarHBondContact O-N 3.13Å; E97-E99 PolarHBondContact O-N 3.1Å | ||
| 98 | E | 47.9 | Very low | 60.6 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | trans | -59.9 | 93.5 | 173.2 | -176.8 | 180 | -147 | 0 | 0 | 104.8 | P96 V100 | P96-E98 PolarHBondContact O-N 2.8Å; E98-V100 HydrophobicContact CG-CG2 4.38Å; E98-V100 VanDerWaalsContact O-CG2 3.32Å; E98-V100 WeakPolarHBondContact O-CG2 3.17Å; E98-V100 PolarHBondContact O-N 3.44Å | ||
| 99 | E | 55.3 | Low | 63.2 | Low | 179 Ų | 179 | 116.5 Ų | 116.5 | 84% | 0.836 | 58% | 0.58 | S | S | * | * | trans | -69.6 | 86.8 | -178.8 | -176.5 | 170 | -161 | 0 | 0 | 105 | E97 E101 | E97-E99 PolarHBondContact O-N 3.1Å; E99-E101 PolarHBondContact O-N 3.25Å | ||
| 100 | V | 61.3 | Low | 65.8 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 38% | 0.376 | 57% | 0.566 | S | S | . | * | trans | -61.6 | 93.7 | -174.3 | -177.4 | 0 | 0 | 0 | 0 | 106.7 | E98 D102 D145 R242 | E98-V100 HydrophobicContact CG-CG2 4.38Å; E98-V100 VanDerWaalsContact O-CG2 3.32Å; E98-V100 WeakPolarHBondContact O-CG2 3.17Å; E98-V100 PolarHBondContact O-N 3.44Å; V100-D102 PolarHBondContact O-N 3Å; V100-D145 HydrophobicContact CB-CB 4.49Å; V100-D145 HydrophobicContact CG1-CB 4.04Å; V100-R242 PolarHBondContact O-NH1 2.89Å; V100-R242 VanDerWaalsContact O-NH1 3.1Å | ||
| 101 | E | 73.3 | Confident | 68.6 | Low | 171 Ų | 171 | 108.2 Ų | 108.2 | 80% | 0.799 | 55% | 0.548 | S | S | * | . | trans | -71.6 | 105.9 | -175.1 | -175.3 | 169.4 | -156.1 | 0 | 0 | 106.8 | E99 D103 | E99-E101 PolarHBondContact O-N 3.25Å; E101-D103 PolarHBondContact O-N 2.71Å; E101-D103 VanDerWaalsContact O-N 3.17Å | ||
| 102 | D | 81.4 | Confident | 71.6 | Confident | 8 Ų | 8 | 108.1 Ų | 108.1 | 4% | 0.043 | 54% | 0.542 | C | S | . | . | trans | -60.7 | 123.9 | 175.9 | -65.5 | -46.5 | 0 | 0 | 0 | 108.3 | V100 P104 D145 Y150 R242 R255 | V100-D102 PolarHBondContact O-N 3Å; D102-P104 HydrophobicContact CB-CG 4.3Å; D102-P104 WeakPolarHBondContact O-CD 3.23Å; D102-D145 PolarHBondContact OD1-N 3.16Å; D102-Y150 PolarHBondContact OD1-OH 2.96Å; D102-Y150 PolarHBondContact OD2-OH 2.7Å; D102-R242 VanDerWaalsContact CG-NH1 3.27Å; D102-R242 IonicContact OD1-NH1 2.74Å; D102-R242 WeakPolarHBondContact OD2-CD 3.42Å; D102-R242 IonicContact OD2-CZ 3.55Å; D102-R242 IonicContact OD2-NE 3.73Å; D102-R242 IonicContact OD2-NH1 2.57Å; D102-R242 PolarHBondContact OD2-NH1 3.23Å; D102-R255 PolarHBondContact O-NH1 3.04Å; D102-R255 PolarHBondContact O-NH2 3.14Å | ||
| 103 | D | 90.1 | Very high | 74.6 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | trans | -108.4 | 66.5 | 164.1 | 175 | 22.9 | 0 | 0 | 0 | 109.5 | E101 K105 G143 | E101-D103 PolarHBondContact O-N 2.71Å; E101-D103 VanDerWaalsContact O-N 3.17Å; D103-K105 PolarHBondContact O-N 3.06Å; D103-K105 VanDerWaalsContact OD1-CE 3.27Å; D103-K105 WeakPolarHBondContact OD1-CE 3.21Å; D103-K105 IonicContact OD1-NZ 3.53Å; D103-K105 VanDerWaalsContact OD2-CE 3.26Å; D103-K105 WeakPolarHBondContact OD2-CE 3.27Å; D103-K105 IonicContact OD2-NZ 3.54Å; D103-K105 PolarHBondContact OD2-NZ 3.23Å; D103-G143 CarbonylContact C-O 3.58Å; D103-G143 VanDerWaalsContact C-O 3.31Å; D103-G143 PolarHBondContact N-O 2.86Å; D103-G143 WeakPolarHBondContact O-CA 3.11Å | ||
| 104 | P | 92.1 | Very high | 77.6 | Confident | 9 Ų | 9 | 94.4 Ų | 94.4 | 6% | 0.058 | 47% | 0.473 | C | S | . | . | trans | -72.7 | 115.7 | -171.8 | 23.7 | -25.5 | 0 | 0 | 0 | 110.6 | D102 T142 L144 I240 Y257 | D102-P104 HydrophobicContact CB-CG 4.3Å; D102-P104 WeakPolarHBondContact O-CD 3.23Å; P104-T142 CarbonylContact C-O 3.58Å; P104-T142 WeakPolarHBondContact CA-O 3.29Å; P104-L144 HydrophobicContact CB-CD2 3.79Å; P104-I240 HydrophobicContact CB-CD1 3.91Å; P104-Y257 WeakPolarHBondContact CB-OH 3.39Å; P104-Y257 VanDerWaalsContact CG-OH 3.24Å; P104-Y257 WeakPolarHBondContact CG-OH 3.15Å; P104-Y257 WeakPolarHBondContact O-CE1 3.09Å; P104-Y257 PolarHBondContact O-OH 3.17Å | ||
| 105 | K | 93.9 | Very high | 80.4 | Confident | 105 Ų | 105 | 90.8 Ų | 90.8 | 46% | 0.457 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140 | 176.3 | -77.4 | 152.2 | 177.1 | 163.2 | 0 | 109.4 | D103 C141 T142 | D103-K105 PolarHBondContact O-N 3.06Å; D103-K105 VanDerWaalsContact OD1-CE 3.27Å; D103-K105 WeakPolarHBondContact OD1-CE 3.21Å; D103-K105 IonicContact OD1-NZ 3.53Å; D103-K105 VanDerWaalsContact OD2-CE 3.26Å; D103-K105 WeakPolarHBondContact OD2-CE 3.27Å; D103-K105 IonicContact OD2-NZ 3.54Å; D103-K105 PolarHBondContact OD2-NZ 3.23Å; K105-C141 CarbonylContact O-C 3.6Å; K105-C141 WeakPolarHBondContact O-CA 3.25Å; K105-T142 WeakPolarHBondContact CB-OG1 3.24Å; K105-T142 PolarHBondContact N-O 2.73Å; K105-T142 PolarHBondContact O-N 2.57Å; K105-T142 PolarHBondContact O-OG1 3.06Å |
| 106 | V | 97.1 | Very high | 83.3 | Confident | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.109 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 120.7 | -172.6 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | V139 R140 F238 I240 Y257 F259 | V106-V139 HydrophobicContact CG1-CB 3.68Å; V106-V139 HydrophobicContact CG1-CG1 3.86Å; V106-V139 HydrophobicContact CG1-CG2 4.1Å; V106-R140 WeakPolarHBondContact CA-O 3.38Å; V106-F238 HydrophobicContact CB-CE1 4.44Å; V106-F238 HydrophobicContact CG1-CD1 3.73Å; V106-F238 HydrophobicContact CG1-CE1 3.7Å; V106-F238 HydrophobicContact CG2-CD1 4.23Å; V106-F238 HydrophobicContact CG2-CE1 3.83Å; V106-I240 HydrophobicContact CG2-CD1 3.7Å; V106-Y257 HydrophobicContact CB-CD1 3.77Å; V106-Y257 HydrophobicContact CB-CE1 4.08Å; V106-Y257 HydrophobicContact CB-CG 4.03Å; V106-Y257 HydrophobicContact CG2-CD1 3.6Å; V106-Y257 HydrophobicContact CG2-CD2 3.81Å; V106-Y257 HydrophobicContact CG2-CE1 3.52Å; V106-Y257 HydrophobicContact CG2-CE2 3.77Å; V106-Y257 HydrophobicContact CG2-CG 3.75Å; V106-F259 HydrophobicContact CB-CZ 4.34Å; V106-F259 HydrophobicContact CG1-CE2 4.18Å; V106-F259 HydrophobicContact CG1-CZ 3.91Å |
| 107 | H | 96.8 | Very high | 85.8 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.6 | -179.3 | -57.8 | -86.6 | 0 | 0 | 0 | 110 | E109 V139 R140 | H107-E109 PolarHBondContact O-N 2.74Å; H107-V139 CarbonylContact O-C 3.58Å; H107-V139 VanDerWaalsContact O-CA 3.29Å; H107-V139 WeakPolarHBondContact O-CA 3.32Å; H107-R140 PolarHBondContact N-O 2.63Å; H107-R140 PolarHBondContact O-N 2.74Å |
| 108 | L | 97.4 | Very high | 88.4 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.6 | 174.4 | -176.4 | 69.6 | 0 | 0 | 0 | 110.2 | K111 W114 F137 V139 F259 E261 T262 | L108-K111 HydrophobicContact CD2-CB 4.39Å; L108-K111 HydrophobicContact CD2-CG 4.38Å; L108-W114 HydrophobicContact CD2-CB 4.22Å; L108-W114 HydrophobicContact CD2-CG 4.04Å; L108-F137 HydrophobicContact CD1-CD2 4.45Å; L108-F137 HydrophobicContact CD1-CE2 4.21Å; L108-V139 HydrophobicContact CD1-CG1 4.45Å; L108-F259 HydrophobicContact CB-CD1 3.83Å; L108-F259 HydrophobicContact CB-CE1 3.87Å; L108-F259 HydrophobicContact CB-CG 4.19Å; L108-F259 HydrophobicContact CB-CZ 4.26Å; L108-F259 HydrophobicContact CD1-CD2 4.34Å; L108-F259 HydrophobicContact CD1-CG 4.41Å; L108-F259 HydrophobicContact CD2-CB 4.24Å; L108-F259 HydrophobicContact CD2-CD1 4.44Å; L108-F259 HydrophobicContact CD2-CG 4.34Å; L108-E261 HydrophobicContact CD2-CG 3.66Å; L108-E261 WeakPolarHBondContact CD2-OE1 3.3Å; L108-T262 HydrophobicContact CD1-CG2 3.86Å; L108-T262 HydrophobicContact CD2-CG2 3.57Å; L108-T262 HydrophobicContact CG-CG2 4.4Å |
| 109 | E | 96.8 | Very high | 90.7 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 138.7 | 177.9 | -77.7 | -80.3 | 179.7 | 0 | 0 | 111 | H107 K138 R140 V202 | H107-E109 PolarHBondContact O-N 2.74Å; E109-K138 HydrophobicContact CB-CB 3.74Å; E109-K138 HydrophobicContact CG-CB 4.49Å; E109-K138 PolarHBondContact N-O 3.1Å; E109-R140 HydrophobicContact CG-CB 4.44Å; E109-R140 IonicContact OE1-CZ 2.76Å; E109-R140 IonicContact OE1-NE 3.29Å; E109-R140 PolarHBondContact OE1-NE 2.83Å; E109-R140 IonicContact OE1-NH2 3.29Å; E109-R140 PolarHBondContact OE1-NH2 3.1Å; E109-V202 HydrophobicContact CB-CG1 4.48Å; E109-V202 HydrophobicContact CG-CG1 3.86Å; E109-V202 HydrophobicContact CG-CG2 4.07Å; E109-V202 WeakPolarHBondContact OE1-CG2 3.24Å |
| 110 | A | 94.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 49% | 0.488 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 40.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E112 L113 W114 | A110-E112 VanDerWaalsContact C-N 3.31Å; A110-E112 PolarHBondContact O-N 2.83Å; A110-L113 HydrophobicContact CB-CB 4.44Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 PolarHBondContact O-N 3.23Å; A110-W114 PolarHBondContact O-N 2.81Å |
| 111 | K | 96.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 69.4 Ų | 69.4 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.8 | -43.6 | 178.6 | -176.4 | 167 | -176.4 | -75.8 | 0 | 114.1 | L108 L113 W114 E115 E261 | L108-K111 HydrophobicContact CD2-CB 4.39Å; L108-K111 HydrophobicContact CD2-CG 4.38Å; K111-L113 PolarHBondContact O-N 2.66Å; K111-W114 WeakPolarHBondContact O-CA 3.04Å; K111-W114 WeakPolarHBondContact O-CB 3.24Å; K111-W114 PolarHBondContact O-N 3.26Å; K111-E115 HydrophobicContact CG-CG 4.43Å; K111-E115 IonicContact NZ-OE1 3.68Å; K111-E115 PolarHBondContact NZ-OE1 3.2Å; K111-E115 WeakPolarHBondContact O-CG 3.32Å; K111-E115 PolarHBondContact O-N 2.82Å; K111-E261 WeakPolarHBondContact CE-OE1 3.26Å; K111-E261 HydrophobicContact CG-CG 4.49Å |
| 112 | E | 97.1 | Very high | 95.4 | Very high | 166 Ų | 166 | 61.3 Ų | 61.3 | 78% | 0.776 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -55.3 | -37.2 | 176.9 | -61.9 | 171.6 | -174.9 | 0 | 0 | 113.1 | A110 L116 | A110-E112 VanDerWaalsContact C-N 3.31Å; A110-E112 PolarHBondContact O-N 2.83Å; E112-L116 WeakPolarHBondContact O-CB 3.45Å; E112-L116 PolarHBondContact O-N 3.24Å |
| 113 | L | 97 | Very high | 96.2 | Very high | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.5 | -36.7 | 177.6 | -177.5 | 61.4 | 0 | 0 | 0 | 111.3 | A110 K111 L116 F117 F134 P135 H282 | A110-L113 HydrophobicContact CB-CB 4.44Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 PolarHBondContact O-N 3.23Å; K111-L113 PolarHBondContact O-N 2.66Å; L113-L116 HydrophobicContact CD1-CD2 4.45Å; L113-L116 PolarHBondContact O-N 2.88Å; L113-F117 HydrophobicContact CD1-CD2 4.21Å; L113-F117 HydrophobicContact CD1-CE2 3.83Å; L113-F117 HydrophobicContact CG-CD2 4.27Å; L113-F117 HydrophobicContact CG-CE2 4.1Å; L113-F117 VanDerWaalsContact O-CD2 3.25Å; L113-F117 WeakPolarHBondContact O-CD2 3.48Å; L113-F117 PolarHBondContact O-N 3.3Å; L113-F134 HydrophobicContact CD2-CZ 4.39Å; L113-P135 HydrophobicContact CD2-CB 4.19Å; L113-P135 HydrophobicContact CD2-CG 4.02Å; L113-P135 HydrophobicContact CG-CG 3.9Å; L113-H282 HydrophobicContact CD1-CB 3.99Å; L113-H282 HydrophobicContact CD2-CB 4.42Å |
| 114 | W | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 172.3 | -78.6 | 103.7 | 0 | 0 | 0 | 111.4 | L108 A110 K111 L116 F117 H118 T122 M124 P135 F137 E261 T262 | L108-W114 HydrophobicContact CD2-CB 4.22Å; L108-W114 HydrophobicContact CD2-CG 4.04Å; A110-W114 PolarHBondContact O-N 2.81Å; K111-W114 WeakPolarHBondContact O-CA 3.04Å; K111-W114 WeakPolarHBondContact O-CB 3.24Å; K111-W114 PolarHBondContact O-N 3.26Å; W114-L116 VanDerWaalsContact C-N 3.29Å; W114-L116 PolarHBondContact O-N 2.74Å; W114-F117 PolarHBondContact O-N 3.33Å; W114-F117 VanDerWaalsContact O-N 3.1Å; W114-H118 WeakPolarHBondContact O-CB 3.16Å; W114-H118 PolarHBondContact O-N 2.77Å; W114-T122 HydrophobicContact CZ3-CG2 4.47Å; W114-M124 HydrophobicContact CH2-CE 3.58Å; W114-M124 HydrophobicContact CZ3-CE 3.66Å; W114-P135 HydrophobicContact CD2-CB 4.18Å; W114-P135 HydrophobicContact CD2-CG 4.1Å; W114-P135 HydrophobicContact CE3-CG 4.39Å; W114-P135 HydrophobicContact CG-CG 4.48Å; W114-P135 WeakPolarHBondContact CH2-O 3.49Å; W114-P135 HydrophobicContact CZ2-CB 3.92Å; W114-P135 VanDerWaalsContact CZ2-O 3.28Å; W114-P135 WeakPolarHBondContact CZ2-O 3.42Å; W114-F137 HydrophobicContact CZ2-CB 4.36Å; W114-F137 HydrophobicContact CZ2-CD2 4.48Å; W114-E261 HydrophobicContact CB-CG 4.05Å; W114-T262 HydrophobicContact CD2-CG2 3.79Å; W114-T262 HydrophobicContact CE3-CG2 3.93Å; W114-T262 HydrophobicContact CG-CG2 4.17Å; W114-T262 HydrophobicContact CH2-CG2 4.48Å; W114-T262 HydrophobicContact CZ2-CG2 4.38Å; W114-T262 HydrophobicContact CZ3-CG2 4.27Å |
| 115 | E | 97.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 174.7 | -70 | 174.9 | 176.5 | 0 | 0 | 112.5 | K111 F117 H118 K119 E261 | K111-E115 HydrophobicContact CG-CG 4.43Å; K111-E115 IonicContact NZ-OE1 3.68Å; K111-E115 PolarHBondContact NZ-OE1 3.2Å; K111-E115 WeakPolarHBondContact O-CG 3.32Å; K111-E115 PolarHBondContact O-N 2.82Å; E115-F117 VanDerWaalsContact C-N 3.35Å; E115-F117 PolarHBondContact O-N 3.47Å; E115-H118 PolarHBondContact O-N 2.86Å; E115-K119 WeakPolarHBondContact O-CB 3.45Å; E115-K119 PolarHBondContact O-N 2.94Å; E115-E261 HydrophobicContact CG-CB 4.34Å |
| 116 | L | 97.1 | Very high | 97 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 176.4 | -177.5 | 59.4 | 0 | 0 | 0 | 112.8 | E112 L113 W114 L278 | E112-L116 WeakPolarHBondContact O-CB 3.45Å; E112-L116 PolarHBondContact O-N 3.24Å; L113-L116 HydrophobicContact CD1-CD2 4.45Å; L113-L116 PolarHBondContact O-N 2.88Å; W114-L116 VanDerWaalsContact C-N 3.29Å; W114-L116 PolarHBondContact O-N 2.74Å; L116-L278 HydrophobicContact CD1-CD2 4.33Å; L116-L278 HydrophobicContact CD2-CD2 3.7Å; L116-L278 HydrophobicContact CG-CD1 4.14Å; L116-L278 HydrophobicContact CG-CD2 3.87Å |
| 117 | F | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.9 | -45.7 | 172.1 | -82.1 | -71 | 0 | 0 | 0 | 112.2 | L113 W114 E115 K119 K120 G121 T122 F134 P135 I275 L278 K279 | L113-F117 HydrophobicContact CD1-CD2 4.21Å; L113-F117 HydrophobicContact CD1-CE2 3.83Å; L113-F117 HydrophobicContact CG-CD2 4.27Å; L113-F117 HydrophobicContact CG-CE2 4.1Å; L113-F117 VanDerWaalsContact O-CD2 3.25Å; L113-F117 WeakPolarHBondContact O-CD2 3.48Å; L113-F117 PolarHBondContact O-N 3.3Å; W114-F117 PolarHBondContact O-N 3.33Å; W114-F117 VanDerWaalsContact O-N 3.1Å; E115-F117 VanDerWaalsContact C-N 3.35Å; E115-F117 PolarHBondContact O-N 3.47Å; F117-K119 VanDerWaalsContact C-N 3.32Å; F117-K119 PolarHBondContact O-N 3.05Å; F117-K120 CarbonylContact O-C 3.6Å; F117-K120 WeakPolarHBondContact O-CA 3.06Å; F117-K120 PolarHBondContact O-N 2.96Å; F117-G121 PolarHBondContact O-N 2.91Å; F117-T122 HydrophobicContact CB-CG2 4.15Å; F117-T122 PolarHBondContact O-N 2.9Å; F117-F134 HydrophobicContact CE2-CD1 4.26Å; F117-F134 AromaticContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CZ-CD1 4.14Å; F117-F134 AromaticContact CZ-CE1 3.92Å; F117-F134 HydrophobicContact CZ-CE1 3.92Å; F117-P135 HydrophobicContact CD2-CG 3.47Å; F117-P135 VanDerWaalsContact CD2-CG 3.47Å; F117-P135 HydrophobicContact CE2-CG 3.66Å; F117-I275 HydrophobicContact CD1-CD1 3.85Å; F117-I275 HydrophobicContact CD1-CG2 4.27Å; F117-I275 HydrophobicContact CE1-CG2 4.22Å; F117-L278 HydrophobicContact CD1-CB 4.19Å; F117-L278 HydrophobicContact CD1-CD1 4.32Å; F117-L278 HydrophobicContact CE1-CB 3.44Å; F117-L278 VanDerWaalsContact CE1-CB 3.44Å; F117-L278 HydrophobicContact CE1-CD1 4.37Å; F117-L278 HydrophobicContact CZ-CB 3.7Å; F117-K279 HydrophobicContact CD1-CD 4.47Å; F117-K279 HydrophobicContact CE1-CD 3.55Å; F117-K279 HydrophobicContact CE1-CG 3.92Å; F117-K279 HydrophobicContact CZ-CD 3.75Å; F117-K279 HydrophobicContact CZ-CG 4.28Å |
| 118 | H | 97.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | -179.9 | -179.8 | 80.1 | 0 | 0 | 0 | 111.4 | W114 E115 K120 G121 T122 D263 | W114-H118 WeakPolarHBondContact O-CB 3.16Å; W114-H118 PolarHBondContact O-N 2.77Å; E115-H118 PolarHBondContact O-N 2.86Å; H118-K120 PolarHBondContact O-N 2.62Å; H118-G121 PolarHBondContact O-N 2.89Å; H118-T122 WeakPolarHBondContact CA-OG1 3.47Å; H118-T122 PolarHBondContact N-OG1 3.44Å; H118-D263 IonicContact CE1-OD1 3.91Å; H118-D263 PolarHBondContact CE1-OD1 2.92Å; H118-D263 VanDerWaalsContact CE1-OD1 3.29Å; H118-D263 IonicContact CE1-OD2 3.9Å; H118-D263 IonicContact ND1-OD1 3.45Å; H118-D263 PolarHBondContact ND1-OD1 3Å; H118-D263 IonicContact ND1-OD2 3.21Å |
| 119 | K | 96.9 | Very high | 96.3 | Very high | 172 Ų | 172 | 59.7 Ų | 59.7 | 75% | 0.748 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11.3 | 173.4 | -172.7 | 167.5 | -175.6 | 171.5 | 0 | 114.6 | E115 F117 | E115-K119 WeakPolarHBondContact O-CB 3.45Å; E115-K119 PolarHBondContact O-N 2.94Å; F117-K119 VanDerWaalsContact C-N 3.32Å; F117-K119 PolarHBondContact O-N 3.05Å |
| 120 | K | 94.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 57.5 Ų | 57.5 | 39% | 0.391 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 3.1 | 174.6 | -57.8 | -58.3 | 178.3 | -171.1 | 0 | 113.2 | F117 H118 N272 I275 L278 | F117-K120 CarbonylContact O-C 3.6Å; F117-K120 WeakPolarHBondContact O-CA 3.06Å; F117-K120 PolarHBondContact O-N 2.96Å; H118-K120 PolarHBondContact O-N 2.62Å; K120-N272 PolarHBondContact O-ND2 2.79Å; K120-I275 HydrophobicContact CB-CD1 3.56Å; K120-I275 HydrophobicContact CB-CG1 4.23Å; K120-L278 HydrophobicContact CB-CD1 4.48Å; K120-L278 HydrophobicContact CG-CD1 3.87Å |
| 121 | G | 95.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | trans | 73.8 | 93.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F117 H118 E123 I275 | F117-G121 PolarHBondContact O-N 2.91Å; H118-G121 PolarHBondContact O-N 2.89Å; G121-E123 PolarHBondContact O-N 3.33Å; G121-I275 WeakPolarHBondContact O-CD1 3.36Å; G121-I275 WeakPolarHBondContact O-CG1 3.42Å | ||
| 122 | T | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | trans | -58.3 | 127.8 | -175.5 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | W114 F117 H118 M124 D263 F264 I265 | W114-T122 HydrophobicContact CZ3-CG2 4.47Å; F117-T122 HydrophobicContact CB-CG2 4.15Å; F117-T122 PolarHBondContact O-N 2.9Å; H118-T122 WeakPolarHBondContact CA-OG1 3.47Å; H118-T122 PolarHBondContact N-OG1 3.44Å; T122-M124 HydrophobicContact CG2-CE 4.05Å; T122-D263 WeakPolarHBondContact CB-O 3.48Å; T122-D263 PolarHBondContact OG1-O 2.85Å; T122-F264 HydrophobicContact CG2-CB 3.69Å; T122-F264 CarbonylContact O-C 3.59Å; T122-F264 VanDerWaalsContact O-CA 3.22Å; T122-F264 WeakPolarHBondContact O-CA 3.34Å; T122-F264 WeakPolarHBondContact O-CB 3.11Å; T122-I265 PolarHBondContact O-N 3.33Å | ||
| 123 | E | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.3 | 171.6 | -58.2 | 175.7 | -165.6 | 0 | 0 | 110.8 | G121 W171 I265 V267 Y270 Q271 N272 I275 K279 | G121-E123 PolarHBondContact O-N 3.33Å; E123-W171 HydrophobicContact CG-CZ2 3.99Å; E123-I265 WeakPolarHBondContact CA-O 3.37Å; E123-V267 HydrophobicContact CB-CG2 4.1Å; E123-Y270 HydrophobicContact CB-CD1 4.07Å; E123-Y270 HydrophobicContact CB-CE1 4.45Å; E123-Y270 WeakPolarHBondContact OE2-CA 3.26Å; E123-Q271 PolarHBondContact OE2-N 3.27Å; E123-N272 WeakPolarHBondContact OE1-CB 3.49Å; E123-N272 PolarHBondContact OE1-N 2.94Å; E123-I275 HydrophobicContact CB-CG2 4.08Å; E123-I275 HydrophobicContact CG-CG1 4.33Å; E123-I275 HydrophobicContact CG-CG2 4.41Å; E123-K279 WeakPolarHBondContact O-CE 3.49Å; E123-K279 PolarHBondContact O-NZ 3.26Å |
| 124 | M | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.5 | 171.2 | -64.5 | -67.7 | -176.2 | 0 | 0 | 110.1 | W114 T122 M133 F134 L210 F264 I265 V267 | W114-M124 HydrophobicContact CH2-CE 3.58Å; W114-M124 HydrophobicContact CZ3-CE 3.66Å; T122-M124 HydrophobicContact CG2-CE 4.05Å; M124-M133 HydrophobicContact CE-CB 4.18Å; M124-M133 HydrophobicContact SD-CB 4.03Å; M124-M133 HydrophobicContact SD-CG 4.43Å; M124-F134 WeakPolarHBondContact CE-O 3.07Å; M124-F134 VanDerWaalsContact SD-O 3.39Å; M124-L210 HydrophobicContact CB-CD1 3.74Å; M124-L210 HydrophobicContact CG-CD1 4.3Å; M124-F264 HydrophobicContact CB-CD2 3.53Å; M124-F264 HydrophobicContact CB-CE2 3.74Å; M124-F264 HydrophobicContact CB-CG 4.12Å; M124-F264 HydrophobicContact CB-CZ 4.47Å; M124-F264 HydrophobicContact CG-CB 3.85Å; M124-F264 HydrophobicContact CG-CD1 3.93Å; M124-F264 HydrophobicContact CG-CD2 3.43Å; M124-F264 VanDerWaalsContact CG-CD2 3.43Å; M124-F264 HydrophobicContact CG-CE1 4.3Å; M124-F264 HydrophobicContact CG-CE2 3.86Å; M124-F264 HydrophobicContact CG-CG 3.47Å; M124-F264 VanDerWaalsContact CG-CG 3.47Å; M124-F264 HydrophobicContact CG-CZ 4.28Å; M124-I265 PolarHBondContact N-O 3.15Å; M124-V267 PolarHBondContact O-N 3.15Å |
| 125 | V | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.8 | 177.5 | 172 | 0 | 0 | 0 | 0 | 110.4 | T127 R131 V267 Y270 | V125-T127 HydrophobicContact CG1-CG2 4.05Å; V125-R131 HydrophobicContact CB-CG 4.33Å; V125-R131 HydrophobicContact CG1-CG 4.31Å; V125-R131 VanDerWaalsContact O-CB 3.25Å; V125-R131 WeakPolarHBondContact O-CB 3.45Å; V125-R131 VanDerWaalsContact O-CG 3.27Å; V125-R131 WeakPolarHBondContact O-CG 3.3Å; V125-V267 CarbonylContact C-O 3.59Å; V125-V267 VanDerWaalsContact CA-O 3.22Å; V125-V267 WeakPolarHBondContact CA-O 3.4Å; V125-V267 HydrophobicContact CG2-CG2 4.2Å; V125-Y270 HydrophobicContact CG2-CD1 3.86Å; V125-Y270 HydrophobicContact CG2-CD2 4.29Å; V125-Y270 HydrophobicContact CG2-CE1 3.52Å; V125-Y270 HydrophobicContact CG2-CE2 3.98Å; V125-Y270 HydrophobicContact CG2-CG 4.23Å |
| 126 | I | 96.1 | Very high | 96 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -112.6 | 140.1 | 174.4 | 70.2 | 179.1 | 0 | 0 | 0 | 110.3 | L210 N212 L228 A266 V267 | I126-L210 HydrophobicContact CB-CB 4.4Å; I126-L210 HydrophobicContact CG2-CB 3.67Å; I126-L210 HydrophobicContact CG2-CD1 4.33Å; I126-N212 HydrophobicContact CD1-CB 3.73Å; I126-N212 HydrophobicContact CG1-CB 4.05Å; I126-L228 WeakPolarHBondContact CD1-O 3.22Å; I126-L228 HydrophobicContact CG2-CD1 4.48Å; I126-A266 HydrophobicContact CD1-CB 4.3Å; I126-A266 HydrophobicContact CG2-CB 3.96Å; I126-V267 PolarHBondContact N-O 2.88Å | ||
| 127 | T | 95.5 | Very high | 96 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | trans | -139.2 | 154.5 | -177.9 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | V125 S129 G130 R131 L210 T211 | V125-T127 HydrophobicContact CG1-CG2 4.05Å; T127-S129 PolarHBondContact O-N 3.41Å; T127-S129 VanDerWaalsContact O-N 3.07Å; T127-G130 WeakPolarHBondContact O-CA 3.4Å; T127-G130 PolarHBondContact O-N 3.35Å; T127-G130 PolarHBondContact OG1-N 3.45Å; T127-R131 HydrophobicContact CG2-CB 4.17Å; T127-L210 PolarHBondContact N-O 2.95Å; T127-T211 VanDerWaalsContact O-CA 3.28Å; T127-T211 WeakPolarHBondContact O-CA 3.3Å; T127-T211 VanDerWaalsContact O-CB 3.3Å; T127-T211 WeakPolarHBondContact O-CB 3.43Å; T127-T211 PolarHBondContact O-OG1 3.23Å | ||
| 128 | K | 92.1 | Very high | 95.9 | Very high | 160 Ų | 160 | 53.1 Ų | 53.1 | 70% | 0.696 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -35.2 | -179.2 | -173.7 | 178.7 | -179.9 | 179.2 | 0 | 113.9 | T211 N212 N213 | K128-T211 PolarHBondContact O-OG1 2.98Å; K128-N212 WeakPolarHBondContact CA-OD1 3.25Å; K128-N212 PolarHBondContact N-OD1 3.38Å; K128-N212 VanDerWaalsContact N-OD1 3.15Å; K128-N213 HydrophobicContact CG-CB 4.18Å |
| 129 | S | 90.2 | Very high | 96 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.7 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 115 | T127 K209 | T127-S129 PolarHBondContact O-N 3.41Å; T127-S129 VanDerWaalsContact O-N 3.07Å; S129-K209 PolarHBondContact O-NZ 2.9Å |
| 130 | G | 92.3 | Very high | 96 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | trans | 79.8 | 124.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T127 K209 L210 | T127-G130 WeakPolarHBondContact O-CA 3.4Å; T127-G130 PolarHBondContact O-N 3.35Å; T127-G130 PolarHBondContact OG1-N 3.45Å; G130-K209 WeakPolarHBondContact O-CE 3.5Å; G130-L210 WeakPolarHBondContact CA-O 3.46Å | ||
| 131 | R | 95.3 | Very high | 96.1 | Very high | 130 Ų | 130 | 42 Ų | 42 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.4 | -178 | -175.4 | 68 | 177.5 | -170.9 | -1.4 | 111.1 | V125 T127 K209 L210 | V125-R131 HydrophobicContact CB-CG 4.33Å; V125-R131 HydrophobicContact CG1-CG 4.31Å; V125-R131 VanDerWaalsContact O-CB 3.25Å; V125-R131 WeakPolarHBondContact O-CB 3.45Å; V125-R131 VanDerWaalsContact O-CG 3.27Å; V125-R131 WeakPolarHBondContact O-CG 3.3Å; T127-R131 HydrophobicContact CG2-CB 4.17Å; R131-K209 CarbonylContact O-C 3.48Å; R131-K209 WeakPolarHBondContact O-CA 3.29Å; R131-L210 PolarHBondContact N-O 3.01Å; R131-L210 PolarHBondContact O-N 3.33Å |
| 132 | R | 95.6 | Very high | 96.1 | Very high | 136 Ų | 136 | 43.4 Ų | 43.4 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 142.7 | 175.8 | -70.3 | 177.7 | 172.2 | 171.9 | -0.7 | 111.4 | H206 K209 | R132-H206 WeakPolarHBondContact CD-O 3.28Å; R132-H206 WeakPolarHBondContact CG-O 3.47Å; R132-H206 PolarHBondContact NE-O 3.38Å; R132-K209 HydrophobicContact CG-CG 4.36Å |
| 133 | M | 96.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | trans | -65.3 | 147.9 | 174.9 | -59.7 | -165.9 | -64.1 | 0 | 0 | 112 | M124 P135 F137 M154 I156 L208 L210 F264 | M124-M133 HydrophobicContact CE-CB 4.18Å; M124-M133 HydrophobicContact SD-CB 4.03Å; M124-M133 HydrophobicContact SD-CG 4.43Å; M133-P135 CarbonylContact C-O 3.5Å; M133-F137 HydrophobicContact CE-CB 3.76Å; M133-M154 HydrophobicContact CE-CE 3.59Å; M133-I156 HydrophobicContact SD-CD1 4.24Å; M133-L208 HydrophobicContact CE-CD2 4.36Å; M133-L208 HydrophobicContact SD-CD2 4.48Å; M133-L210 HydrophobicContact CG-CD1 3.79Å; M133-L210 HydrophobicContact CG-CD2 4.28Å; M133-L210 HydrophobicContact CG-CG 3.92Å; M133-L210 HydrophobicContact SD-CD1 4.2Å; M133-L210 HydrophobicContact SD-CD2 4.28Å; M133-L210 HydrophobicContact SD-CG 4.47Å; M133-F264 HydrophobicContact SD-CE1 4.39Å | ||
| 134 | F | 97.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -143.2 | 122 | 167.2 | -173.3 | -86.7 | 0 | 0 | 0 | 110.2 | L113 F117 M124 K279 H282 N283 | L113-F134 HydrophobicContact CD2-CZ 4.39Å; F117-F134 HydrophobicContact CE2-CD1 4.26Å; F117-F134 AromaticContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CZ-CD1 4.14Å; F117-F134 AromaticContact CZ-CE1 3.92Å; F117-F134 HydrophobicContact CZ-CE1 3.92Å; M124-F134 WeakPolarHBondContact CE-O 3.07Å; M124-F134 VanDerWaalsContact SD-O 3.39Å; F134-K279 HydrophobicContact CD1-CD 3.81Å; F134-K279 PolarHBondContact O-NZ 2.84Å; F134-H282 HydrophobicContact CE1-CB 3.9Å; F134-H282 VanDerWaalsContact CZ-C 3.4Å; F134-H282 HydrophobicContact CZ-CB 3.81Å; F134-H282 WeakPolarHBondContact CZ-O 3.45Å; F134-N283 HydrophobicContact CD1-CB 4.1Å; F134-N283 HydrophobicContact CD2-CB 3.9Å; F134-N283 HydrophobicContact CE1-CB 3.96Å; F134-N283 HydrophobicContact CE2-CB 3.75Å; F134-N283 HydrophobicContact CG-CB 4.08Å; F134-N283 HydrophobicContact CZ-CB 3.8Å |
| 135 | P | 97.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -61.4 | 153.9 | 2.5 | -20.8 | 33.5 | 0 | 0 | 0 | 113.1 | L113 W114 F117 M133 | L113-P135 HydrophobicContact CD2-CB 4.19Å; L113-P135 HydrophobicContact CD2-CG 4.02Å; L113-P135 HydrophobicContact CG-CG 3.9Å; W114-P135 HydrophobicContact CD2-CB 4.18Å; W114-P135 HydrophobicContact CD2-CG 4.1Å; W114-P135 HydrophobicContact CE3-CG 4.39Å; W114-P135 HydrophobicContact CG-CG 4.48Å; W114-P135 WeakPolarHBondContact CH2-O 3.49Å; W114-P135 HydrophobicContact CZ2-CB 3.92Å; W114-P135 VanDerWaalsContact CZ2-O 3.28Å; W114-P135 WeakPolarHBondContact CZ2-O 3.42Å; F117-P135 HydrophobicContact CD2-CG 3.47Å; F117-P135 VanDerWaalsContact CD2-CG 3.47Å; F117-P135 HydrophobicContact CE2-CG 3.66Å; M133-P135 CarbonylContact C-O 3.5Å |
| 136 | P | 96.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 129 | 175.3 | 29.5 | -32.9 | 0 | 0 | 0 | 109.4 | K138 H206 | P136-K138 HydrophobicContact CG-CD 4.33Å; P136-K138 PolarHBondContact O-N 3.15Å; P136-H206 HydrophobicContact CB-CB 4.14Å |
| 137 | F | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 120.1 | 174.6 | -168.9 | -81.7 | 0 | 0 | 0 | 109.8 | L108 W114 M133 V139 M154 F205 P236 F238 F259 T262 | L108-F137 HydrophobicContact CD1-CD2 4.45Å; L108-F137 HydrophobicContact CD1-CE2 4.21Å; W114-F137 HydrophobicContact CZ2-CB 4.36Å; W114-F137 HydrophobicContact CZ2-CD2 4.48Å; M133-F137 HydrophobicContact CE-CB 3.76Å; F137-V139 HydrophobicContact CD1-CG1 4.39Å; F137-V139 HydrophobicContact CE1-CG1 3.59Å; F137-V139 HydrophobicContact CZ-CG1 3.94Å; F137-M154 HydrophobicContact CB-CE 4.31Å; F137-M154 HydrophobicContact CB-SD 4.03Å; F137-M154 HydrophobicContact CD1-SD 3.32Å; F137-M154 WeakPolarHBondContact CD1-SD 3.32Å; F137-M154 HydrophobicContact CD2-SD 4.1Å; F137-M154 HydrophobicContact CE1-SD 3.7Å; F137-M154 HydrophobicContact CE2-SD 4.41Å; F137-M154 HydrophobicContact CG-CE 4.45Å; F137-M154 HydrophobicContact CG-SD 3.55Å; F137-M154 VanDerWaalsContact CG-SD 3.55Å; F137-M154 HydrophobicContact CZ-SD 4.22Å; F137-F205 HydrophobicContact CB-CB 4.43Å; F137-F205 AromaticContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CG 4.45Å; F137-F205 HydrophobicContact CE1-CD2 4.43Å; F137-F205 PolarHBondContact O-N 3.27Å; F137-P236 HydrophobicContact CD2-CB 4.15Å; F137-P236 HydrophobicContact CE2-CB 4.03Å; F137-F238 HydrophobicContact CE1-CB 3.95Å; F137-F238 HydrophobicContact CE1-CD2 4.45Å; F137-F238 HydrophobicContact CE1-CG 4.42Å; F137-F238 HydrophobicContact CZ-CB 3.94Å; F137-F259 HydrophobicContact CE2-CD2 4.14Å; F137-F259 AromaticContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CE2 4.2Å; F137-T262 HydrophobicContact CD2-CG2 4.19Å; F137-T262 HydrophobicContact CE2-CG2 4.03Å |
| 138 | K | 96.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 136.2 | -174.3 | -74.5 | 177.3 | 176.6 | -178.6 | 0 | 108.9 | E109 P136 V202 V203 N204 | E109-K138 HydrophobicContact CB-CB 3.74Å; E109-K138 HydrophobicContact CG-CB 4.49Å; E109-K138 PolarHBondContact N-O 3.1Å; P136-K138 HydrophobicContact CG-CD 4.33Å; P136-K138 PolarHBondContact O-N 3.15Å; K138-V202 HydrophobicContact CB-CG1 3.91Å; K138-V202 HydrophobicContact CD-CG1 4.34Å; K138-V202 HydrophobicContact CG-CG1 4.28Å; K138-V203 VanDerWaalsContact CA-O 3.29Å; K138-V203 WeakPolarHBondContact CA-O 3.22Å; K138-N204 HydrophobicContact CG-CB 4.18Å; K138-N204 WeakPolarHBondContact CG-OD1 3.47Å |
| 139 | V | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149.9 | 178.3 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | V106 H107 L108 F137 V203 F238 F259 | V106-V139 HydrophobicContact CG1-CB 3.68Å; V106-V139 HydrophobicContact CG1-CG1 3.86Å; V106-V139 HydrophobicContact CG1-CG2 4.1Å; H107-V139 CarbonylContact O-C 3.58Å; H107-V139 VanDerWaalsContact O-CA 3.29Å; H107-V139 WeakPolarHBondContact O-CA 3.32Å; L108-V139 HydrophobicContact CD1-CG1 4.45Å; F137-V139 HydrophobicContact CD1-CG1 4.39Å; F137-V139 HydrophobicContact CE1-CG1 3.59Å; F137-V139 HydrophobicContact CZ-CG1 3.94Å; V139-V203 HydrophobicContact CG2-CB 4.01Å; V139-V203 PolarHBondContact N-O 3.49Å; V139-V203 PolarHBondContact O-N 3Å; V139-F238 HydrophobicContact CG2-CD1 4.27Å; V139-F238 HydrophobicContact CG2-CD2 4.05Å; V139-F238 HydrophobicContact CG2-CE1 4Å; V139-F238 HydrophobicContact CG2-CE2 3.77Å; V139-F238 HydrophobicContact CG2-CG 4.28Å; V139-F238 HydrophobicContact CG2-CZ 3.73Å; V139-F259 HydrophobicContact CG1-CE2 3.92Å; V139-F259 HydrophobicContact CG1-CZ 4.43Å |
| 140 | R | 97.1 | Very high | 95.8 | Very high | 108 Ų | 108 | 52 Ų | 52 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124 | 169.7 | -175 | 178.3 | -59.6 | -99.1 | 1.3 | 108.5 | V106 H107 E109 | V106-R140 WeakPolarHBondContact CA-O 3.38Å; H107-R140 PolarHBondContact N-O 2.63Å; H107-R140 PolarHBondContact O-N 2.74Å; E109-R140 HydrophobicContact CG-CB 4.44Å; E109-R140 IonicContact OE1-CZ 2.76Å; E109-R140 IonicContact OE1-NE 3.29Å; E109-R140 PolarHBondContact OE1-NE 2.83Å; E109-R140 IonicContact OE1-NH2 3.29Å; E109-R140 PolarHBondContact OE1-NH2 3.1Å |
| 141 | C | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 144.5 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | K105 L144 M199 | K105-C141 CarbonylContact O-C 3.6Å; K105-C141 WeakPolarHBondContact O-CA 3.25Å; C141-L144 HydrophobicContact CB-CD1 4.07Å; C141-M199 WeakPolarHBondContact O-CG 3.32Å |
| 142 | T | 95.9 | Very high | 96 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 33% | 0.331 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.7 | 172.1 | 50.7 | 0 | 0 | 0 | 0 | 108.9 | P104 K105 | P104-T142 CarbonylContact C-O 3.58Å; P104-T142 WeakPolarHBondContact CA-O 3.29Å; K105-T142 WeakPolarHBondContact CB-OG1 3.24Å; K105-T142 PolarHBondContact N-O 2.73Å; K105-T142 PolarHBondContact O-N 2.57Å; K105-T142 PolarHBondContact O-OG1 3.06Å |
| 143 | G | 94.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 39 Ų | 39 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 73.7 | 27.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D103 | D103-G143 CarbonylContact C-O 3.58Å; D103-G143 VanDerWaalsContact C-O 3.31Å; D103-G143 PolarHBondContact N-O 2.86Å; D103-G143 WeakPolarHBondContact O-CA 3.11Å |
| 144 | L | 94.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | trans | -95.8 | 143.4 | 169.4 | -61.9 | 168.9 | 0 | 0 | 0 | 109.9 | P104 C141 K146 Y150 W198 M199 I240 | P104-L144 HydrophobicContact CB-CD2 3.79Å; C141-L144 HydrophobicContact CB-CD1 4.07Å; L144-K146 PolarHBondContact O-N 2.76Å; L144-Y150 HydrophobicContact CB-CE2 3.98Å; L144-Y150 HydrophobicContact CD1-CD2 4.49Å; L144-Y150 HydrophobicContact CD2-CD1 3.91Å; L144-Y150 HydrophobicContact CD2-CD2 4.39Å; L144-Y150 HydrophobicContact CD2-CE1 3.66Å; L144-Y150 HydrophobicContact CD2-CE2 4.19Å; L144-Y150 HydrophobicContact CD2-CG 4.28Å; L144-W198 HydrophobicContact CD1-CB 3.97Å; L144-M199 HydrophobicContact CB-CE 4.18Å; L144-M199 HydrophobicContact CB-CG 4.42Å; L144-M199 HydrophobicContact CB-SD 4.17Å; L144-M199 HydrophobicContact CD1-CG 4.25Å; L144-M199 WeakPolarHBondContact O-CE 3.4Å; L144-I240 HydrophobicContact CD2-CD1 4.4Å; L144-I240 HydrophobicContact CD2-CG2 3.95Å | ||
| 145 | D | 95.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | trans | -55.7 | 126.1 | 163.8 | 168 | 28 | 0 | 0 | 0 | 109.9 | V100 D102 K147 A148 Y150 G195 R242 | V100-D145 HydrophobicContact CB-CB 4.49Å; V100-D145 HydrophobicContact CG1-CB 4.04Å; D102-D145 PolarHBondContact OD1-N 3.16Å; D145-K147 PolarHBondContact O-N 3.06Å; D145-K147 PolarHBondContact OD1-N 2.79Å; D145-A148 HydrophobicContact CB-CB 3.96Å; D145-A148 WeakPolarHBondContact OD2-CB 3.46Å; D145-A148 PolarHBondContact OD2-N 2.71Å; D145-Y150 PolarHBondContact N-OH 3.26Å; D145-Y150 WeakPolarHBondContact O-CE2 3.39Å; D145-G195 VanDerWaalsContact O-CA 3.32Å; D145-G195 WeakPolarHBondContact O-CA 3.27Å; D145-R242 IonicContact OD2-NH2 3.51Å | ||
| 146 | K | 94.9 | Very high | 95.6 | Very high | 128 Ų | 128 | 37.7 Ų | 37.7 | 56% | 0.557 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -60.5 | -33 | 179.5 | -67.2 | -178.1 | -176.3 | -179.1 | 0 | 112.5 | L144 T194 E196 M199 | L144-K146 PolarHBondContact O-N 2.76Å; K146-T194 WeakPolarHBondContact O-CB 3.23Å; K146-E196 HydrophobicContact CB-CB 3.97Å; K146-E196 HydrophobicContact CG-CB 4.22Å; K146-E196 PolarHBondContact O-N 3.44Å; K146-M199 HydrophobicContact CG-CE 3.93Å |
| 147 | K | 94.4 | Very high | 95.5 | Very high | 185 Ų | 185 | 37.2 Ų | 37.2 | 80% | 0.804 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -87.3 | -39.3 | -173.8 | -61.4 | 172.1 | -176 | 167.4 | 0 | 112.5 | D145 | D145-K147 PolarHBondContact O-N 3.06Å; D145-K147 PolarHBondContact OD1-N 2.79Å |
| 148 | A | 94.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -59.7 | 152.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D145 Y150 T194 G195 R242 | D145-A148 HydrophobicContact CB-CB 3.96Å; D145-A148 WeakPolarHBondContact OD2-CB 3.46Å; D145-A148 PolarHBondContact OD2-N 2.71Å; A148-Y150 HydrophobicContact CB-CE2 3.67Å; A148-Y150 WeakPolarHBondContact CB-OH 3.24Å; A148-Y150 WeakPolarHBondContact O-CE2 3.48Å; A148-T194 CarbonylContact O-C 3.31Å; A148-T194 VanDerWaalsContact O-CA 3.26Å; A148-T194 WeakPolarHBondContact O-CA 3.48Å; A148-G195 PolarHBondContact O-N 2.89Å; A148-R242 HydrophobicContact CB-CG 4.3Å |
| 149 | K | 95.4 | Very high | 95.4 | Very high | 102 Ų | 102 | 37.6 Ų | 37.6 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.4 | 172.8 | -69.2 | -169.1 | 178.6 | -170.6 | 0 | 110.8 | A193 T194 R242 A243 N244 | K149-A193 WeakPolarHBondContact CA-O 3.36Å; K149-T194 HydrophobicContact CG-CG2 4.5Å; K149-R242 CarbonylContact O-C 3.52Å; K149-A243 CarbonylContact C-O 3.54Å; K149-A243 PolarHBondContact O-N 3.27Å; K149-N244 HydrophobicContact CB-CB 4.44Å; K149-N244 HydrophobicContact CD-CB 4.26Å |
| 150 | Y | 96.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146 | 176.4 | -55.1 | -95.8 | 0 | 0 | 0 | 111 | D102 L144 D145 A148 A193 W198 I240 V241 R242 | D102-Y150 PolarHBondContact OD1-OH 2.96Å; D102-Y150 PolarHBondContact OD2-OH 2.7Å; L144-Y150 HydrophobicContact CB-CE2 3.98Å; L144-Y150 HydrophobicContact CD1-CD2 4.49Å; L144-Y150 HydrophobicContact CD2-CD1 3.91Å; L144-Y150 HydrophobicContact CD2-CD2 4.39Å; L144-Y150 HydrophobicContact CD2-CE1 3.66Å; L144-Y150 HydrophobicContact CD2-CE2 4.19Å; L144-Y150 HydrophobicContact CD2-CG 4.28Å; D145-Y150 PolarHBondContact N-OH 3.26Å; D145-Y150 WeakPolarHBondContact O-CE2 3.39Å; A148-Y150 HydrophobicContact CB-CE2 3.67Å; A148-Y150 WeakPolarHBondContact CB-OH 3.24Å; A148-Y150 WeakPolarHBondContact O-CE2 3.48Å; Y150-A193 PolarHBondContact N-O 3.13Å; Y150-A193 PolarHBondContact O-N 2.83Å; Y150-W198 PolarHBondContact O-NE1 2.76Å; Y150-I240 HydrophobicContact CD1-CG2 3.73Å; Y150-I240 HydrophobicContact CE1-CG2 4.44Å; Y150-I240 HydrophobicContact CG-CG2 4.43Å; Y150-V241 CarbonylContact C-O 3.56Å; Y150-V241 VanDerWaalsContact CA-O 3.24Å; Y150-V241 WeakPolarHBondContact CA-O 3.4Å; Y150-R242 HydrophobicContact CD1-CB 3.88Å; Y150-R242 HydrophobicContact CD1-CG 4.2Å; Y150-R242 HydrophobicContact CE1-CB 3.66Å; Y150-R242 HydrophobicContact CE1-CG 3.68Å |
| 151 | I | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.2 | 165 | -63.1 | 171.1 | 0 | 0 | 0 | 106.9 | L153 I187 P192 V241 A243 D245 I246 L249 | I151-L153 HydrophobicContact CG2-CD2 4.29Å; I151-I187 HydrophobicContact CG2-CG2 3.89Å; I151-P192 HydrophobicContact CD1-CB 4.49Å; I151-P192 HydrophobicContact CG1-CB 3.82Å; I151-V241 PolarHBondContact N-O 2.87Å; I151-V241 PolarHBondContact O-N 2.91Å; I151-A243 HydrophobicContact CD1-CB 4.01Å; I151-A243 HydrophobicContact CG1-CB 4.47Å; I151-D245 WeakPolarHBondContact CD1-O 3.46Å; I151-I246 HydrophobicContact CD1-CB 4.37Å; I151-I246 HydrophobicContact CD1-CG1 3.86Å; I151-L249 HydrophobicContact CB-CD2 4.08Å; I151-L249 HydrophobicContact CD1-CD1 4.44Å; I151-L249 HydrophobicContact CD1-CD2 3.78Å; I151-L249 HydrophobicContact CD1-CG 3.97Å; I151-L249 HydrophobicContact CG2-CD1 4.28Å; I151-L249 HydrophobicContact CG2-CD2 3.99Å |
| 152 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.5 | 174.6 | -61.8 | -169.8 | 0 | 0 | 0 | 109.2 | H188 S191 W198 V203 F238 I240 | L152-H188 HydrophobicContact CB-CB 4.29Å; L152-H188 VanDerWaalsContact O-CB 3.24Å; L152-H188 WeakPolarHBondContact O-CB 3.47Å; L152-H188 PolarHBondContact O-N 3.05Å; L152-S191 PolarHBondContact N-OG 3.28Å; L152-S191 PolarHBondContact O-OG 3.1Å; L152-W198 HydrophobicContact CB-CH2 4.04Å; L152-W198 HydrophobicContact CB-CZ2 4.01Å; L152-W198 HydrophobicContact CB-CZ3 4.44Å; L152-W198 HydrophobicContact CD1-CB 4.31Å; L152-W198 HydrophobicContact CD1-CD2 3.35Å; L152-W198 HydrophobicContact CD1-CE3 3.36Å; L152-W198 HydrophobicContact CD1-CG 3.82Å; L152-W198 HydrophobicContact CD1-CH2 4.09Å; L152-W198 HydrophobicContact CD1-CZ2 4.09Å; L152-W198 HydrophobicContact CD1-CZ3 3.75Å; L152-W198 HydrophobicContact CG-CD2 3.78Å; L152-W198 HydrophobicContact CG-CE3 4.13Å; L152-W198 HydrophobicContact CG-CG 4.27Å; L152-W198 HydrophobicContact CG-CH2 4.09Å; L152-W198 HydrophobicContact CG-CZ2 3.75Å; L152-W198 HydrophobicContact CG-CZ3 4.28Å; L152-V203 HydrophobicContact CD1-CB 4.37Å; L152-V203 HydrophobicContact CD1-CG1 3.85Å; L152-V203 HydrophobicContact CD1-CG2 3.65Å; L152-F238 HydrophobicContact CB-CE2 4.15Å; L152-F238 HydrophobicContact CB-CZ 4.43Å; L152-F238 HydrophobicContact CD1-CE2 4.34Å; L152-F238 HydrophobicContact CD1-CZ 4.02Å; L152-F238 HydrophobicContact CD2-CE2 4.44Å; L152-F238 HydrophobicContact CD2-CZ 3.91Å; L152-F238 HydrophobicContact CG-CZ 4.35Å; L152-I240 HydrophobicContact CD2-CB 4.05Å; L152-I240 HydrophobicContact CD2-CG1 3.72Å; L152-I240 HydrophobicContact CD2-CG2 3.96Å |
| 153 | L | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 162.8 | -179 | 63.4 | 88.3 | 0 | 0 | 0 | 111.4 | I151 M185 Y186 I187 H239 V241 L249 F254 | I151-L153 HydrophobicContact CG2-CD2 4.29Å; L153-M185 HydrophobicContact CD1-CB 4.14Å; L153-M185 HydrophobicContact CD1-CG 4.05Å; L153-M185 HydrophobicContact CD1-SD 4.06Å; L153-M185 HydrophobicContact CD2-SD 4.33Å; L153-Y186 CarbonylContact C-O 3.58Å; L153-Y186 WeakPolarHBondContact CA-O 3.45Å; L153-Y186 VanDerWaalsContact CB-O 3.27Å; L153-Y186 WeakPolarHBondContact CB-O 3.37Å; L153-I187 HydrophobicContact CB-CG1 4.22Å; L153-I187 HydrophobicContact CD2-CG1 4.42Å; L153-H239 HydrophobicContact CD1-CB 3.52Å; L153-H239 HydrophobicContact CG-CB 3.88Å; L153-H239 PolarHBondContact N-O 3.48Å; L153-H239 VanDerWaalsContact N-O 3.1Å; L153-H239 PolarHBondContact O-N 2.83Å; L153-V241 HydrophobicContact CD2-CG2 4.43Å; L153-L249 HydrophobicContact CD2-CD1 3.94Å; L153-L249 HydrophobicContact CD2-CD2 4Å; L153-F254 HydrophobicContact CD1-CE1 4.14Å; L153-F254 HydrophobicContact CD2-CE1 4Å |
| 154 | M | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.2 | 179.6 | -171.1 | 172 | 73 | 0 | 0 | 109 | M133 F137 Y186 F205 L208 R237 | M133-M154 HydrophobicContact CE-CE 3.59Å; F137-M154 HydrophobicContact CB-CE 4.31Å; F137-M154 HydrophobicContact CB-SD 4.03Å; F137-M154 HydrophobicContact CD1-SD 3.32Å; F137-M154 WeakPolarHBondContact CD1-SD 3.32Å; F137-M154 HydrophobicContact CD2-SD 4.1Å; F137-M154 HydrophobicContact CE1-SD 3.7Å; F137-M154 HydrophobicContact CE2-SD 4.41Å; F137-M154 HydrophobicContact CG-CE 4.45Å; F137-M154 HydrophobicContact CG-SD 3.55Å; F137-M154 VanDerWaalsContact CG-SD 3.55Å; F137-M154 HydrophobicContact CZ-SD 4.22Å; M154-Y186 PolarHBondContact N-O 3.02Å; M154-Y186 PolarHBondContact O-N 3.23Å; M154-F205 HydrophobicContact CB-CD1 3.76Å; M154-F205 HydrophobicContact CB-CE1 3.66Å; M154-F205 HydrophobicContact CB-CG 4.38Å; M154-F205 HydrophobicContact CB-CZ 4.18Å; M154-F205 HydrophobicContact CE-CB 3.64Å; M154-F205 HydrophobicContact CE-CD1 4.08Å; M154-F205 HydrophobicContact CE-CG 3.95Å; M154-F205 HydrophobicContact SD-CB 4.19Å; M154-F205 HydrophobicContact SD-CD1 4.3Å; M154-F205 HydrophobicContact SD-CD2 4.36Å; M154-F205 HydrophobicContact SD-CG 4.02Å; M154-L208 HydrophobicContact CE-CD1 3.51Å; M154-L208 HydrophobicContact CE-CG 4.48Å; M154-R237 WeakPolarHBondContact CA-O 3.48Å; M154-R237 WeakPolarHBondContact CG-O 3.35Å |
| 155 | D | 93.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 167.8 | 165.3 | 78.3 | -14.6 | 0 | 0 | 0 | 110.8 | M185 R237 H239 | D155-M185 HydrophobicContact CB-CG 4.46Å; D155-R237 PolarHBondContact N-O 3.37Å; D155-R237 PolarHBondContact O-N 3.45Å; D155-R237 WeakPolarHBondContact OD1-CB 3.46Å; D155-R237 IonicContact OD1-CZ 2.62Å; D155-R237 IonicContact OD1-NE 2.86Å; D155-R237 IonicContact OD1-NH1 3.71Å; D155-R237 PolarHBondContact OD1-NH1 2.92Å; D155-R237 IonicContact OD2-NH1 2.83Å; D155-R237 PolarHBondContact OD2-NH1 3.44Å; D155-H239 IonicContact OD1-CD2 3.75Å; D155-H239 IonicContact OD1-CE1 3.95Å; D155-H239 IonicContact OD1-NE2 2.78Å; D155-H239 PolarHBondContact OD1-NE2 2.88Å; D155-H239 IonicContact OD2-NE2 2.71Å; D155-H239 PolarHBondContact OD2-NE2 3.47Å |
| 156 | I | 95.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.9 | 177.2 | -57.4 | 179.7 | 0 | 0 | 0 | 105.3 | M133 L208 L210 T226 L228 Y234 F264 | M133-I156 HydrophobicContact SD-CD1 4.24Å; I156-L208 HydrophobicContact CD1-CD2 4.22Å; I156-L210 HydrophobicContact CD1-CD2 3.54Å; I156-T226 HydrophobicContact CB-CG2 4.26Å; I156-T226 HydrophobicContact CD1-CG2 4.26Å; I156-T226 HydrophobicContact CG1-CG2 4.5Å; I156-L228 HydrophobicContact CB-CD2 4.43Å; I156-L228 HydrophobicContact CG2-CD2 3.95Å; I156-Y234 HydrophobicContact CG2-CD1 4Å; I156-Y234 HydrophobicContact CG2-CG 4.06Å; I156-F264 HydrophobicContact CD1-CZ 4.34Å; I156-F264 HydrophobicContact CG2-CE1 4.34Å; I156-F264 HydrophobicContact CG2-CZ 4.12Å |
| 157 | V | 94.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 151.9 | -178.2 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | A159 K183 Y234 Q235 R237 | V157-A159 PolarHBondContact O-N 3.17Å; V157-K183 HydrophobicContact CG1-CD 4.01Å; V157-Y234 WeakPolarHBondContact O-CA 3.41Å; V157-Y234 WeakPolarHBondContact O-CD1 3.48Å; V157-Q235 HydrophobicContact CG2-CB 4.29Å; V157-Q235 PolarHBondContact N-O 3.21Å; V157-Q235 VanDerWaalsContact N-O 3.12Å; V157-Q235 PolarHBondContact O-N 3.15Å; V157-R237 HydrophobicContact CG2-CG 4.37Å |
| 158 | A | 95.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 133.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E180 Y234 | A158-E180 HydrophobicContact CB-CG 4.45Å; A158-E180 WeakPolarHBondContact CB-OE1 3.4Å; A158-E180 PolarHBondContact N-OE1 2.71Å; A158-Y234 HydrophobicContact CB-CE1 4.4Å |
| 159 | A | 95.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -23.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V157 K233 Q235 | V157-A159 PolarHBondContact O-N 3.17Å; A159-K233 HydrophobicContact CB-CB 4.16Å; A159-K233 HydrophobicContact CB-CD 3.9Å; A159-K233 HydrophobicContact CB-CG 3.9Å; A159-K233 PolarHBondContact N-O 3.29Å; A159-Q235 HydrophobicContact CB-CB 4.35Å |
| 160 | D | 95.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 167.4 | -178.4 | 52.1 | 66 | 0 | 0 | 0 | 110.7 | C162 Y164 K233 | D160-C162 PolarHBondContact O-N 2.68Å; D160-C162 VanDerWaalsContact OD1-CB 3.28Å; D160-C162 WeakPolarHBondContact OD1-CB 3.33Å; D160-C162 PolarHBondContact OD1-N 2.92Å; D160-Y164 WeakPolarHBondContact OD1-CE2 3.48Å; D160-Y164 PolarHBondContact OD2-OH 2.96Å; D160-K233 WeakPolarHBondContact OD2-CB 3.33Å; D160-K233 VanDerWaalsContact OD2-CD 3.25Å; D160-K233 WeakPolarHBondContact OD2-CD 3.29Å |
| 161 | D | 95.7 | Very high | 95.5 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 26.5 | 175.5 | -100.5 | -69.8 | 0 | 0 | 0 | 112.7 | K176 A177 | D161-K176 CarbonylContact O-C 3.56Å; D161-K176 IonicContact OD1-NZ 3.86Å; D161-K176 PolarHBondContact OD1-NZ 3.31Å; D161-A177 WeakPolarHBondContact O-CB 3.46Å; D161-A177 PolarHBondContact O-N 3.28Å |
| 162 | C | 96.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 25% | 0.25 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.3 | -177.4 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | D160 Y164 V173 H232 | D160-C162 PolarHBondContact O-N 2.68Å; D160-C162 VanDerWaalsContact OD1-CB 3.28Å; D160-C162 WeakPolarHBondContact OD1-CB 3.33Å; D160-C162 PolarHBondContact OD1-N 2.92Å; C162-Y164 HydrophobicContact CB-CD2 4.3Å; C162-Y164 HydrophobicContact CB-CE2 3.63Å; C162-V173 HydrophobicContact CB-CG1 4.09Å; C162-V173 HydrophobicContact CB-CG2 4.11Å; C162-H232 PolarHBondContact O-CD2 3.06Å |
| 163 | R | 97.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 62.2 Ų | 62.2 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.4 | 162.3 | -173.1 | 171.7 | 174.1 | -143.7 | -3.6 | 108.9 | A174 G175 K176 | R163-A174 WeakPolarHBondContact O-CB 3.25Å; R163-A174 PolarHBondContact O-N 3.01Å; R163-G175 PolarHBondContact N-O 3.06Å; R163-G175 PolarHBondContact O-N 3.43Å; R163-K176 WeakPolarHBondContact CB-O 3.43Å |
| 164 | Y | 97.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 16% | 0.161 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 161.2 | -171.3 | -74.1 | -90.1 | 0 | 0 | 0 | 113.8 | D160 C162 M172 V173 M231 K233 I265 | D160-Y164 WeakPolarHBondContact OD1-CE2 3.48Å; D160-Y164 PolarHBondContact OD2-OH 2.96Å; C162-Y164 HydrophobicContact CB-CD2 4.3Å; C162-Y164 HydrophobicContact CB-CE2 3.63Å; Y164-M172 CarbonylContact C-O 3.59Å; Y164-M172 WeakPolarHBondContact CA-O 3.35Å; Y164-V173 HydrophobicContact CD1-CG2 4.49Å; Y164-V173 HydrophobicContact CE1-CG2 3.94Å; Y164-M231 PolarHBondContact N-O 2.88Å; Y164-M231 WeakPolarHBondContact O-CB 3.4Å; Y164-K233 HydrophobicContact CD2-CB 4.46Å; Y164-K233 HydrophobicContact CE2-CB 3.87Å; Y164-I265 HydrophobicContact CD1-CD1 4.38Å; Y164-I265 HydrophobicContact CG-CD1 4.2Å |
| 165 | K | 96.7 | Very high | 95.7 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.5 | 163.7 | 62.8 | -172.4 | 174.7 | -176.6 | 0 | 109.8 | M172 A174 | K165-M172 HydrophobicContact CG-CB 4.41Å; K165-M172 PolarHBondContact N-O 2.89Å; K165-M172 PolarHBondContact O-N 2.91Å; K165-A174 HydrophobicContact CB-CB 4.06Å; K165-A174 HydrophobicContact CD-CB 3.91Å; K165-A174 HydrophobicContact CG-CB 3.93Å |
| 166 | F | 96.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 72.9 Ų | 72.9 | 18% | 0.184 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.7 | 170.4 | -166.8 | -108.7 | 0 | 0 | 0 | 109.1 | S169 R170 W171 Q271 N272 | F166-S169 VanDerWaalsContact CE2-C 3.5Å; F166-S169 VanDerWaalsContact CZ-CA 3.49Å; F166-R170 WeakPolarHBondContact CA-O 3.47Å; F166-W171 HydrophobicContact CB-CD2 4.29Å; F166-W171 HydrophobicContact CB-CE3 4.06Å; F166-W171 HydrophobicContact CB-CH2 4.2Å; F166-W171 HydrophobicContact CB-CZ2 4.36Å; F166-W171 HydrophobicContact CB-CZ3 4.04Å; F166-W171 AromaticContact CD2-CD1 3.84Å; F166-W171 AromaticContact CD2-CD2 3.72Å; F166-W171 HydrophobicContact CD2-CD2 3.72Å; F166-W171 AromaticContact CD2-CE2 3.69Å; F166-W171 HydrophobicContact CD2-CE3 4.33Å; F166-W171 AromaticContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CZ2 4.29Å; F166-W171 AromaticContact CD2-NE1 3.72Å; F166-W171 HydrophobicContact CE2-CG 4.4Å; F166-W171 AromaticContact CE2-NE1 3.97Å; F166-W171 HydrophobicContact CG-CD2 4.48Å; F166-Q271 HydrophobicContact CB-CB 3.64Å; F166-Q271 HydrophobicContact CB-CG 4.1Å; F166-Q271 HydrophobicContact CD1-CB 3.71Å; F166-Q271 WeakPolarHBondContact CD1-O 3.02Å; F166-Q271 HydrophobicContact CD2-CB 4.4Å; F166-Q271 HydrophobicContact CE1-CB 4.43Å; F166-Q271 WeakPolarHBondContact CE1-O 2.87Å; F166-Q271 HydrophobicContact CG-CB 3.68Å; F166-N272 HydrophobicContact CE1-CB 4.23Å; F166-N272 HydrophobicContact CE2-CB 3.99Å; F166-N272 HydrophobicContact CZ-CB 3.61Å |
| 167 | H | 95.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 73.1 Ų | 73.1 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 142.9 | -178.7 | -173.9 | 67.3 | 0 | 0 | 0 | 109.5 | S169 R170 M172 | H167-S169 VanDerWaalsContact C-N 3.28Å; H167-S169 PolarHBondContact O-N 3.18Å; H167-R170 PolarHBondContact N-O 3.23Å; H167-R170 PolarHBondContact O-N 2.85Å; H167-M172 HydrophobicContact CB-CE 4.19Å |
| 168 | N | 93.2 | Very high | 95.5 | Very high | 135 Ų | 135 | 75.3 Ų | 75.3 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 47.6 | -177.9 | -59.6 | -10.6 | 0 | 0 | 0 | 113.3 | R170 | N168-R170 PolarHBondContact O-N 3.47Å; N168-R170 VanDerWaalsContact O-N 3.16Å |
| 169 | S | 93.2 | Very high | 95.2 | Very high | 90 Ų | 90 | 78.7 Ų | 78.7 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16.8 | -175.1 | -60.6 | 0 | 0 | 0 | 0 | 116.1 | F166 H167 | F166-S169 VanDerWaalsContact CE2-C 3.5Å; F166-S169 VanDerWaalsContact CZ-CA 3.49Å; H167-S169 VanDerWaalsContact C-N 3.28Å; H167-S169 PolarHBondContact O-N 3.18Å |
| 170 | R | 94.6 | Very high | 94.4 | Very high | 176 Ų | 176 | 80.6 Ų | 80.6 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.5 | -175.3 | -175.9 | 175.8 | 178.4 | 178.8 | 0.9 | 111.8 | F166 H167 N168 M172 | F166-R170 WeakPolarHBondContact CA-O 3.47Å; H167-R170 PolarHBondContact N-O 3.23Å; H167-R170 PolarHBondContact O-N 2.85Å; N168-R170 PolarHBondContact O-N 3.47Å; N168-R170 VanDerWaalsContact O-N 3.16Å; R170-M172 HydrophobicContact CG-CG 4.3Å |
| 171 | W | 96.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 81.1 Ų | 81.1 | 16% | 0.163 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.4 | 167.2 | -76.6 | 109.1 | 0 | 0 | 0 | 110.4 | E123 F166 M231 I265 V267 Q271 | E123-W171 HydrophobicContact CG-CZ2 3.99Å; F166-W171 HydrophobicContact CB-CD2 4.29Å; F166-W171 HydrophobicContact CB-CE3 4.06Å; F166-W171 HydrophobicContact CB-CH2 4.2Å; F166-W171 HydrophobicContact CB-CZ2 4.36Å; F166-W171 HydrophobicContact CB-CZ3 4.04Å; F166-W171 AromaticContact CD2-CD1 3.84Å; F166-W171 AromaticContact CD2-CD2 3.72Å; F166-W171 HydrophobicContact CD2-CD2 3.72Å; F166-W171 AromaticContact CD2-CE2 3.69Å; F166-W171 HydrophobicContact CD2-CE3 4.33Å; F166-W171 AromaticContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CZ2 4.29Å; F166-W171 AromaticContact CD2-NE1 3.72Å; F166-W171 HydrophobicContact CE2-CG 4.4Å; F166-W171 AromaticContact CE2-NE1 3.97Å; F166-W171 HydrophobicContact CG-CD2 4.48Å; W171-M231 HydrophobicContact CH2-CE 3.84Å; W171-M231 HydrophobicContact CZ3-CE 3.7Å; W171-I265 HydrophobicContact CB-CD1 4.44Å; W171-I265 HydrophobicContact CD2-CD1 3.48Å; W171-I265 VanDerWaalsContact CD2-CD1 3.48Å; W171-I265 HydrophobicContact CE3-CD1 3.69Å; W171-I265 HydrophobicContact CG-CD1 3.84Å; W171-I265 HydrophobicContact CH2-CB 4.33Å; W171-I265 HydrophobicContact CH2-CD1 4.31Å; W171-I265 HydrophobicContact CH2-CG2 3.66Å; W171-I265 HydrophobicContact CZ2-CB 4.3Å; W171-I265 HydrophobicContact CZ2-CD1 4.18Å; W171-I265 HydrophobicContact CZ2-CG2 4.12Å; W171-I265 HydrophobicContact CZ3-CD1 4.09Å; W171-I265 HydrophobicContact CZ3-CG2 3.95Å; W171-V267 HydrophobicContact CH2-CG1 3.92Å; W171-V267 HydrophobicContact CZ2-CG1 4.28Å; W171-Q271 HydrophobicContact CH2-CB 4.2Å; W171-Q271 HydrophobicContact CH2-CG 3.72Å; W171-Q271 HydrophobicContact CZ2-CB 3.99Å; W171-Q271 HydrophobicContact CZ2-CG 3.96Å |
| 172 | M | 96.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 80.9 Ų | 80.9 | 35% | 0.345 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.4 | 178.5 | -53.7 | -161.7 | -51.8 | 0 | 0 | 110.3 | Y164 K165 H167 R170 | Y164-M172 CarbonylContact C-O 3.59Å; Y164-M172 WeakPolarHBondContact CA-O 3.35Å; K165-M172 HydrophobicContact CG-CB 4.41Å; K165-M172 PolarHBondContact N-O 2.89Å; K165-M172 PolarHBondContact O-N 2.91Å; H167-M172 HydrophobicContact CB-CE 4.19Å; R170-M172 HydrophobicContact CG-CG 4.3Å |
| 173 | V | 97.6 | Very high | 91.7 | Very high | 78 Ų | 78 | 84.4 Ų | 84.4 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.2 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | C162 Y164 | C162-V173 HydrophobicContact CB-CG1 4.09Å; C162-V173 HydrophobicContact CB-CG2 4.11Å; Y164-V173 HydrophobicContact CD1-CG2 4.49Å; Y164-V173 HydrophobicContact CE1-CG2 3.94Å |
| 174 | A | 95.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 81.6 Ų | 81.6 | 45% | 0.446 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -22 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R163 K165 | R163-A174 WeakPolarHBondContact O-CB 3.25Å; R163-A174 PolarHBondContact O-N 3.01Å; K165-A174 HydrophobicContact CB-CB 4.06Å; K165-A174 HydrophobicContact CD-CB 3.91Å; K165-A174 HydrophobicContact CG-CB 3.93Å |
| 175 | G | 95.7 | Very high | 90.5 | Very high | 33 Ų | 33 | 83.7 Ų | 83.7 | 34% | 0.34 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -169.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R163 | R163-G175 PolarHBondContact N-O 3.06Å; R163-G175 PolarHBondContact O-N 3.43Å |
| 176 | K | 95.8 | Very high | 90.3 | Very high | 146 Ų | 146 | 79.2 Ų | 79.2 | 64% | 0.635 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 149.7 | 171.3 | -160.6 | -155.4 | 174.5 | -58.1 | 0 | 110.6 | D161 R163 | D161-K176 CarbonylContact O-C 3.56Å; D161-K176 IonicContact OD1-NZ 3.86Å; D161-K176 PolarHBondContact OD1-NZ 3.31Å; R163-K176 WeakPolarHBondContact CB-O 3.43Å |
| 177 | A | 94.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 79 Ų | 79 | 12% | 0.116 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 141.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D161 H232 | D161-A177 WeakPolarHBondContact O-CB 3.46Å; D161-A177 PolarHBondContact O-N 3.28Å; A177-H232 VanDerWaalsContact CA-NE2 3.3Å; A177-H232 WeakPolarHBondContact CA-NE2 3.47Å |
| 178 | D | 90.3 | Very high | 90.1 | Very high | 68 Ų | 68 | 74.7 Ų | 74.7 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62 | 148.9 | 164.4 | -60.4 | -27.4 | 0 | 0 | 0 | 109.4 | E180 N229 H232 | D178-E180 PolarHBondContact O-N 3.02Å; D178-N229 PolarHBondContact O-ND2 3.22Å; D178-H232 PolarHBondContact N-NE2 2.76Å; D178-H232 IonicContact OD2-CE1 3.28Å; D178-H232 PolarHBondContact OD2-CE1 2.93Å; D178-H232 IonicContact OD2-NE2 1.87Å |
| 179 | P | 88.1 | Confident | 90.1 | Very high | 106 Ų | 106 | 71.4 Ų | 71.4 | 69% | 0.688 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 132.7 | -177.3 | -28.5 | 35.5 | 0 | 0 | 0 | 113.7 | M181 N229 | P179-M181 WeakPolarHBondContact O-CE 3.33Å; P179-M181 PolarHBondContact O-N 2.81Å; P179-N229 PolarHBondContact O-ND2 3.01Å |
| 180 | E | 79.5 | Confident | 90.1 | Very high | 86 Ų | 86 | 72 Ų | 72 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 130.7 | -178.4 | -163.4 | 179.9 | -157.8 | 0 | 0 | 110.8 | A158 D178 K183 | A158-E180 HydrophobicContact CB-CG 4.45Å; A158-E180 WeakPolarHBondContact CB-OE1 3.4Å; A158-E180 PolarHBondContact N-OE1 2.71Å; D178-E180 PolarHBondContact O-N 3.02Å; E180-K183 VanDerWaalsContact CD-NZ 3.31Å; E180-K183 WeakPolarHBondContact OE1-CE 3.21Å; E180-K183 IonicContact OE1-NZ 3.18Å; E180-K183 PolarHBondContact OE1-NZ 3.42Å; E180-K183 WeakPolarHBondContact OE2-CE 3.34Å; E180-K183 IonicContact OE2-NZ 2.81Å; E180-K183 PolarHBondContact OE2-NZ 2.66Å |
| 181 | M | 78.5 | Confident | 90 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 151.5 | 178.7 | -67 | -66.5 | 124.6 | 0 | 0 | 111.1 | P179 K183 I214 I227 | P179-M181 WeakPolarHBondContact O-CE 3.33Å; P179-M181 PolarHBondContact O-N 2.81Å; M181-K183 PolarHBondContact O-N 3.43Å; M181-K183 VanDerWaalsContact O-N 3.1Å; M181-I214 HydrophobicContact CE-CG2 4.29Å; M181-I214 HydrophobicContact CG-CG2 4.32Å; M181-I214 HydrophobicContact SD-CB 4.26Å; M181-I214 HydrophobicContact SD-CG2 3.63Å; M181-I227 HydrophobicContact CB-CG2 4.48Å; M181-I227 HydrophobicContact CG-CG2 4.14Å |
| 182 | P | 78.3 | Confident | 90 | Very high | 104 Ų | 104 | 64.6 Ų | 64.6 | 68% | 0.675 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -52 | 118.8 | 178.4 | -29.4 | 36 | 0 | 0 | 0 | 113 | R184 | P182-R184 PolarHBondContact O-N 2.7Š|
| 183 | K | 73.4 | Confident | 90 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 118.2 | -175.8 | -75.2 | 169 | 178.2 | 155.6 | 0 | 110.6 | V157 E180 M181 | V157-K183 HydrophobicContact CG1-CD 4.01Å; E180-K183 VanDerWaalsContact CD-NZ 3.31Å; E180-K183 WeakPolarHBondContact OE1-CE 3.21Å; E180-K183 IonicContact OE1-NZ 3.18Å; E180-K183 PolarHBondContact OE1-NZ 3.42Å; E180-K183 WeakPolarHBondContact OE2-CE 3.34Å; E180-K183 IonicContact OE2-NZ 2.81Å; E180-K183 PolarHBondContact OE2-NZ 2.66Å; M181-K183 PolarHBondContact O-N 3.43Å; M181-K183 VanDerWaalsContact O-N 3.1Å |
| 184 | R | 81.8 | Confident | 89.9 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 121 | 174.2 | -72.6 | -177.5 | -177.6 | 81.6 | -15.4 | 110.1 | P182 G219 I227 | P182-R184 PolarHBondContact O-N 2.7Å; R184-G219 PolarHBondContact NE-O 3.23Å; R184-I227 VanDerWaalsContact NH1-CD1 3.26Å |
| 185 | M | 88.5 | Confident | 89.9 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 120.5 | 168.6 | -66.7 | 176.5 | 180 | 0 | 0 | 109.6 | L153 D155 I187 F254 | L153-M185 HydrophobicContact CD1-CB 4.14Å; L153-M185 HydrophobicContact CD1-CG 4.05Å; L153-M185 HydrophobicContact CD1-SD 4.06Å; L153-M185 HydrophobicContact CD2-SD 4.33Å; D155-M185 HydrophobicContact CB-CG 4.46Å; M185-I187 PolarHBondContact O-N 2.92Å; M185-F254 HydrophobicContact CE-CE1 3.81Å; M185-F254 HydrophobicContact CE-CZ 4.07Å; M185-F254 HydrophobicContact SD-CE1 3.95Å; M185-F254 HydrophobicContact SD-CZ 4.25Å |
| 186 | Y | 92.2 | Very high | 89.9 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110.1 | 166.9 | 179.6 | -78.9 | 0 | 0 | 0 | 108.3 | L153 M154 F205 K207 L208 S223 T224 | L153-Y186 CarbonylContact C-O 3.58Å; L153-Y186 WeakPolarHBondContact CA-O 3.45Å; L153-Y186 VanDerWaalsContact CB-O 3.27Å; L153-Y186 WeakPolarHBondContact CB-O 3.37Å; M154-Y186 PolarHBondContact N-O 3.02Å; M154-Y186 PolarHBondContact O-N 3.23Å; Y186-F205 AromaticContact CD1-CD1 3.48Å; Y186-F205 HydrophobicContact CD1-CD1 3.48Å; Y186-F205 VanDerWaalsContact CD1-CD1 3.48Å; Y186-F205 AromaticContact CD1-CE1 3.8Å; Y186-F205 HydrophobicContact CD1-CE1 3.8Å; Y186-F205 AromaticContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CE1 4.15Å; Y186-K207 WeakPolarHBondContact OH-CB 3.36Å; Y186-L208 VanDerWaalsContact CB-CD1 3.46Å; Y186-L208 HydrophobicContact CD1-CD1 4.39Å; Y186-L208 HydrophobicContact CD2-CB 3.74Å; Y186-L208 HydrophobicContact CD2-CD1 3.77Å; Y186-L208 HydrophobicContact CD2-CG 3.79Å; Y186-L208 HydrophobicContact CE2-CB 3.87Å; Y186-L208 HydrophobicContact CE2-CG 4.4Å; Y186-L208 HydrophobicContact CG-CB 4.21Å; Y186-L208 HydrophobicContact CG-CD1 3.62Å; Y186-L208 HydrophobicContact CG-CG 4.18Å; Y186-S223 WeakPolarHBondContact CD2-O 3.44Å; Y186-T224 HydrophobicContact CE2-CG2 4.34Å |
| 187 | I | 93.7 | Very high | 90 | Very high | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130.8 | 171.9 | -59.5 | 172.2 | 0 | 0 | 0 | 108.6 | I151 L153 M185 I246 L249 | I151-I187 HydrophobicContact CG2-CG2 3.89Å; L153-I187 HydrophobicContact CB-CG1 4.22Å; L153-I187 HydrophobicContact CD2-CG1 4.42Å; M185-I187 PolarHBondContact O-N 2.92Å; I187-I246 HydrophobicContact CD1-CG2 3.81Å; I187-L249 HydrophobicContact CD1-CD1 3.68Å; I187-L249 HydrophobicContact CG1-CD1 4.31Å |
| 188 | H | 94.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | trans | -63.4 | 130.7 | 176.1 | -166.6 | -90 | 0 | 0 | 0 | 109.4 | L152 D190 S191 W198 N204 F205 | L152-H188 HydrophobicContact CB-CB 4.29Å; L152-H188 VanDerWaalsContact O-CB 3.24Å; L152-H188 WeakPolarHBondContact O-CB 3.47Å; L152-H188 PolarHBondContact O-N 3.05Å; H188-D190 IonicContact CE1-OD2 2.66Å; H188-D190 PolarHBondContact CE1-OD2 2.89Å; H188-D190 VanDerWaalsContact CE1-OD2 3.29Å; H188-D190 IonicContact ND1-OD2 3.23Å; H188-D190 PolarHBondContact O-N 3.39Å; H188-S191 VanDerWaalsContact O-CB 3.24Å; H188-S191 WeakPolarHBondContact O-CB 3.42Å; H188-S191 PolarHBondContact O-N 3.12Å; H188-S191 PolarHBondContact O-OG 3.22Å; H188-W198 HydrophobicContact CB-CH2 4.05Å; H188-W198 AromaticContact CE1-CZ3 3.95Å; H188-W198 AromaticContact CG-CH2 3.98Å; H188-W198 AromaticContact ND1-CH2 3.46Å; H188-W198 WeakPolarHBondContact ND1-CH2 3.44Å; H188-W198 AromaticContact ND1-CZ3 3.44Å; H188-W198 WeakPolarHBondContact ND1-CZ3 2.94Å; H188-N204 PolarHBondContact NE2-N 2.93Å; H188-F205 HydrophobicContact CB-CE1 4Å; H188-F205 HydrophobicContact CB-CZ 4.11Å | ||
| 189 | P | 92.6 | Very high | 90.4 | Very high | 67 Ų | 67 | 58 Ų | 58 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.4 | -168.8 | 24.3 | -36 | 0 | 0 | 0 | 114.5 | S191 K207 | P189-S191 VanDerWaalsContact C-N 3.26Å; P189-S191 PolarHBondContact O-N 1.87Å; P189-K207 HydrophobicContact CG-CD 4.19Å |
| 190 | D | 93.6 | Very high | 90.8 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 3.2 | 179 | -49.2 | -6.3 | 0 | 0 | 0 | 112 | H188 A193 W198 | H188-D190 IonicContact CE1-OD2 2.66Å; H188-D190 PolarHBondContact CE1-OD2 2.89Å; H188-D190 VanDerWaalsContact CE1-OD2 3.29Å; H188-D190 IonicContact ND1-OD2 3.23Å; H188-D190 PolarHBondContact O-N 3.39Å; D190-A193 VanDerWaalsContact O-CB 3.3Å; D190-A193 WeakPolarHBondContact O-CB 3.15Å; D190-W198 HydrophobicContact CB-CH2 3.93Å; D190-W198 HydrophobicContact CB-CZ3 4.13Å |
| 191 | S | 93.8 | Very high | 91.5 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 12% | 0.119 | 31% | 0.312 | C | S | . | . | trans | -86.4 | 146.2 | 179.1 | -50.7 | 0 | 0 | 0 | 0 | 112.9 | L152 H188 P189 W198 | L152-S191 PolarHBondContact N-OG 3.28Å; L152-S191 PolarHBondContact O-OG 3.1Å; H188-S191 VanDerWaalsContact O-CB 3.24Å; H188-S191 WeakPolarHBondContact O-CB 3.42Å; H188-S191 PolarHBondContact O-N 3.12Å; H188-S191 PolarHBondContact O-OG 3.22Å; P189-S191 VanDerWaalsContact C-N 3.26Å; P189-S191 PolarHBondContact O-N 1.87Å; S191-W198 WeakPolarHBondContact OG-CZ2 3.36Å | ||
| 192 | P | 95.1 | Very high | 92.4 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -81.5 | 130.5 | -7 | 30.7 | -32.5 | 0 | 0 | 0 | 112.5 | I151 | I151-P192 HydrophobicContact CD1-CB 4.49Å; I151-P192 HydrophobicContact CG1-CB 3.82Å |
| 193 | A | 96.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 166 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K149 Y150 D190 Q197 W198 | K149-A193 WeakPolarHBondContact CA-O 3.36Å; Y150-A193 PolarHBondContact N-O 3.13Å; Y150-A193 PolarHBondContact O-N 2.83Å; D190-A193 VanDerWaalsContact O-CB 3.3Å; D190-A193 WeakPolarHBondContact O-CB 3.15Å; A193-Q197 HydrophobicContact CB-CB 4.19Å; A193-W198 HydrophobicContact CB-CD2 4.28Å; A193-W198 HydrophobicContact CB-CZ2 3.94Å; A193-W198 PolarHBondContact O-NE1 3.25Å |
| 194 | T | 96.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 156.1 | 179.8 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | K146 A148 K149 E196 Q197 W198 | K146-T194 WeakPolarHBondContact O-CB 3.23Å; A148-T194 CarbonylContact O-C 3.31Å; A148-T194 VanDerWaalsContact O-CA 3.26Å; A148-T194 WeakPolarHBondContact O-CA 3.48Å; K149-T194 HydrophobicContact CG-CG2 4.5Å; T194-E196 PolarHBondContact O-N 2.95Å; T194-Q197 WeakPolarHBondContact O-CB 3.34Å; T194-Q197 PolarHBondContact O-N 3.28Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.33Å; T194-Q197 PolarHBondContact OG1-N 3.34Å; T194-W198 PolarHBondContact O-N 3.01Å |
| 195 | G | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D145 A148 W198 M199 | D145-G195 VanDerWaalsContact O-CA 3.32Å; D145-G195 WeakPolarHBondContact O-CA 3.27Å; A148-G195 PolarHBondContact O-N 2.89Å; G195-W198 PolarHBondContact O-N 3.47Å; G195-M199 WeakPolarHBondContact O-CB 3.16Å; G195-M199 WeakPolarHBondContact O-CE 3.38Å; G195-M199 VanDerWaalsContact O-CG 3.3Å; G195-M199 WeakPolarHBondContact O-CG 3.24Å; G195-M199 PolarHBondContact O-N 2.66Å |
| 196 | E | 96.4 | Very high | 95 | Very high | 112 Ų | 112 | 48 Ų | 48 | 52% | 0.523 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 172.8 | -177.8 | 166.8 | -119.9 | 0 | 0 | 112.5 | K146 T194 W198 M199 S200 | K146-E196 HydrophobicContact CB-CB 3.97Å; K146-E196 HydrophobicContact CG-CB 4.22Å; K146-E196 PolarHBondContact O-N 3.44Å; T194-E196 PolarHBondContact O-N 2.95Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.87Å; E196-M199 PolarHBondContact O-N 3.02Å; E196-S200 WeakPolarHBondContact O-CB 3.15Å; E196-S200 PolarHBondContact O-N 2.92Å |
| 197 | Q | 96.8 | Very high | 95 | Very high | 112 Ų | 112 | 52.4 Ų | 52.4 | 52% | 0.523 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.3 | -72.3 | 168.4 | -16.7 | 0 | 0 | 111.2 | A193 T194 S200 | A193-Q197 HydrophobicContact CB-CB 4.19Å; T194-Q197 WeakPolarHBondContact O-CB 3.34Å; T194-Q197 PolarHBondContact O-N 3.28Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.33Å; T194-Q197 PolarHBondContact OG1-N 3.34Å; Q197-S200 PolarHBondContact O-N 3.34Å; Q197-S200 PolarHBondContact O-OG 3.25Å |
| 198 | W | 96.8 | Very high | 95 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.038 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 177 | -68.7 | 126.7 | 0 | 0 | 0 | 114.3 | L144 Y150 L152 H188 D190 S191 A193 T194 G195 E196 K201 V203 | L144-W198 HydrophobicContact CD1-CB 3.97Å; Y150-W198 PolarHBondContact O-NE1 2.76Å; L152-W198 HydrophobicContact CB-CH2 4.04Å; L152-W198 HydrophobicContact CB-CZ2 4.01Å; L152-W198 HydrophobicContact CB-CZ3 4.44Å; L152-W198 HydrophobicContact CD1-CB 4.31Å; L152-W198 HydrophobicContact CD1-CD2 3.35Å; L152-W198 HydrophobicContact CD1-CE3 3.36Å; L152-W198 HydrophobicContact CD1-CG 3.82Å; L152-W198 HydrophobicContact CD1-CH2 4.09Å; L152-W198 HydrophobicContact CD1-CZ2 4.09Å; L152-W198 HydrophobicContact CD1-CZ3 3.75Å; L152-W198 HydrophobicContact CG-CD2 3.78Å; L152-W198 HydrophobicContact CG-CE3 4.13Å; L152-W198 HydrophobicContact CG-CG 4.27Å; L152-W198 HydrophobicContact CG-CH2 4.09Å; L152-W198 HydrophobicContact CG-CZ2 3.75Å; L152-W198 HydrophobicContact CG-CZ3 4.28Å; H188-W198 HydrophobicContact CB-CH2 4.05Å; H188-W198 AromaticContact CE1-CZ3 3.95Å; H188-W198 AromaticContact CG-CH2 3.98Å; H188-W198 AromaticContact ND1-CH2 3.46Å; H188-W198 WeakPolarHBondContact ND1-CH2 3.44Å; H188-W198 AromaticContact ND1-CZ3 3.44Å; H188-W198 WeakPolarHBondContact ND1-CZ3 2.94Å; D190-W198 HydrophobicContact CB-CH2 3.93Å; D190-W198 HydrophobicContact CB-CZ3 4.13Å; S191-W198 WeakPolarHBondContact OG-CZ2 3.36Å; A193-W198 HydrophobicContact CB-CD2 4.28Å; A193-W198 HydrophobicContact CB-CZ2 3.94Å; A193-W198 PolarHBondContact O-NE1 3.25Å; T194-W198 PolarHBondContact O-N 3.01Å; G195-W198 PolarHBondContact O-N 3.47Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.87Å; W198-K201 VanDerWaalsContact O-O 3.1Å; W198-V203 HydrophobicContact CE3-CG2 4.02Å; W198-V203 HydrophobicContact CZ3-CG1 4.17Å; W198-V203 HydrophobicContact CZ3-CG2 4.47Å |
| 199 | M | 96.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.7 | -24.4 | 175.7 | -67.3 | -173.2 | -71.2 | 0 | 0 | 112.6 | C141 L144 K146 G195 E196 K201 | C141-M199 WeakPolarHBondContact O-CG 3.32Å; L144-M199 HydrophobicContact CB-CE 4.18Å; L144-M199 HydrophobicContact CB-CG 4.42Å; L144-M199 HydrophobicContact CB-SD 4.17Å; L144-M199 HydrophobicContact CD1-CG 4.25Å; L144-M199 WeakPolarHBondContact O-CE 3.4Å; K146-M199 HydrophobicContact CG-CE 3.93Å; G195-M199 WeakPolarHBondContact O-CB 3.16Å; G195-M199 WeakPolarHBondContact O-CE 3.38Å; G195-M199 VanDerWaalsContact O-CG 3.3Å; G195-M199 WeakPolarHBondContact O-CG 3.24Å; G195-M199 PolarHBondContact O-N 2.66Å; E196-M199 PolarHBondContact O-N 3.02Å; M199-K201 VanDerWaalsContact C-N 3.26Å; M199-K201 PolarHBondContact O-N 2.83Å |
| 200 | S | 96.1 | Very high | 95 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.2 | -178 | 76.2 | 0 | 0 | 0 | 0 | 114.8 | E196 Q197 | E196-S200 WeakPolarHBondContact O-CB 3.15Å; E196-S200 PolarHBondContact O-N 2.92Å; Q197-S200 PolarHBondContact O-N 3.34Å; Q197-S200 PolarHBondContact O-OG 3.25Å |
| 201 | K | 94.8 | Very high | 94.9 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 67% | 0.674 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -145 | 157.8 | -169 | -71.6 | 168.6 | -170.7 | 167.8 | 0 | 111.6 | W198 M199 V203 | W198-K201 VanDerWaalsContact O-O 3.1Å; M199-K201 VanDerWaalsContact C-N 3.26Å; M199-K201 PolarHBondContact O-N 2.83Å; K201-V203 PolarHBondContact O-N 2.85Å |
| 202 | V | 96.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 48 Ų | 48 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | trans | -72.7 | 122.2 | 171.2 | 172.5 | 0 | 0 | 0 | 0 | 110 | E109 K138 | E109-V202 HydrophobicContact CB-CG1 4.48Å; E109-V202 HydrophobicContact CG-CG1 3.86Å; E109-V202 HydrophobicContact CG-CG2 4.07Å; E109-V202 WeakPolarHBondContact OE1-CG2 3.24Å; K138-V202 HydrophobicContact CB-CG1 3.91Å; K138-V202 HydrophobicContact CD-CG1 4.34Å; K138-V202 HydrophobicContact CG-CG1 4.28Å | ||
| 203 | V | 96.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.7 | 175 | -168.2 | 0 | 0 | 0 | 0 | 108.4 | K138 V139 L152 W198 K201 F205 | K138-V203 VanDerWaalsContact CA-O 3.29Å; K138-V203 WeakPolarHBondContact CA-O 3.22Å; V139-V203 HydrophobicContact CG2-CB 4.01Å; V139-V203 PolarHBondContact N-O 3.49Å; V139-V203 PolarHBondContact O-N 3Å; L152-V203 HydrophobicContact CD1-CB 4.37Å; L152-V203 HydrophobicContact CD1-CG1 3.85Å; L152-V203 HydrophobicContact CD1-CG2 3.65Å; W198-V203 HydrophobicContact CE3-CG2 4.02Å; W198-V203 HydrophobicContact CZ3-CG1 4.17Å; W198-V203 HydrophobicContact CZ3-CG2 4.47Å; K201-V203 PolarHBondContact O-N 2.85Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.37Å; V203-F205 HydrophobicContact CG1-CE2 3.6Å; V203-F205 HydrophobicContact CG1-CZ 4.07Å |
| 204 | N | 95.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 97 | -160 | -180 | 8.2 | 0 | 0 | 0 | 113.5 | K138 H188 H206 | K138-N204 HydrophobicContact CG-CB 4.18Å; K138-N204 WeakPolarHBondContact CG-OD1 3.47Å; H188-N204 PolarHBondContact NE2-N 2.93Å; N204-H206 VanDerWaalsContact CG-ND1 3.26Å; N204-H206 PolarHBondContact ND2-ND1 3.47Å; N204-H206 PolarHBondContact O-N 2.93Å; N204-H206 PolarHBondContact O-ND1 3.38Å; N204-H206 VanDerWaalsContact OD1-CB 3.28Å; N204-H206 WeakPolarHBondContact OD1-CB 3.38Å; N204-H206 PolarHBondContact OD1-N 2.88Å; N204-H206 PolarHBondContact OD1-ND1 2.82Å |
| 205 | F | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | trans | -78.6 | 14.2 | -174.8 | -67.1 | -93.8 | 0 | 0 | 0 | 114.5 | F137 M154 Y186 H188 V203 K207 L208 F238 | F137-F205 HydrophobicContact CB-CB 4.43Å; F137-F205 AromaticContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CG 4.45Å; F137-F205 HydrophobicContact CE1-CD2 4.43Å; F137-F205 PolarHBondContact O-N 3.27Å; M154-F205 HydrophobicContact CB-CD1 3.76Å; M154-F205 HydrophobicContact CB-CE1 3.66Å; M154-F205 HydrophobicContact CB-CG 4.38Å; M154-F205 HydrophobicContact CB-CZ 4.18Å; M154-F205 HydrophobicContact CE-CB 3.64Å; M154-F205 HydrophobicContact CE-CD1 4.08Å; M154-F205 HydrophobicContact CE-CG 3.95Å; M154-F205 HydrophobicContact SD-CB 4.19Å; M154-F205 HydrophobicContact SD-CD1 4.3Å; M154-F205 HydrophobicContact SD-CD2 4.36Å; M154-F205 HydrophobicContact SD-CG 4.02Å; Y186-F205 AromaticContact CD1-CD1 3.48Å; Y186-F205 HydrophobicContact CD1-CD1 3.48Å; Y186-F205 VanDerWaalsContact CD1-CD1 3.48Å; Y186-F205 AromaticContact CD1-CE1 3.8Å; Y186-F205 HydrophobicContact CD1-CE1 3.8Å; Y186-F205 AromaticContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CE1 4.15Å; H188-F205 HydrophobicContact CB-CE1 4Å; H188-F205 HydrophobicContact CB-CZ 4.11Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.37Å; V203-F205 HydrophobicContact CG1-CE2 3.6Å; V203-F205 HydrophobicContact CG1-CZ 4.07Å; F205-K207 PolarHBondContact O-N 3Å; F205-L208 VanDerWaalsContact O-CB 3.3Å; F205-L208 WeakPolarHBondContact O-CB 3.39Å; F205-L208 PolarHBondContact O-N 3.1Å; F205-F238 AromaticContact CE2-CD2 3.69Å; F205-F238 HydrophobicContact CE2-CD2 3.69Å; F205-F238 AromaticContact CE2-CE2 3.66Å; F205-F238 HydrophobicContact CE2-CE2 3.66Å; F205-F238 AromaticContact CZ-CD2 3.81Å; F205-F238 HydrophobicContact CZ-CD2 3.81Å; F205-F238 AromaticContact CZ-CE2 3.74Å; F205-F238 HydrophobicContact CZ-CE2 3.74Å | ||
| 206 | H | 90.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -17 | 176.2 | 73.6 | -61.9 | 0 | 0 | 0 | 116.4 | R132 P136 N204 | R132-H206 WeakPolarHBondContact CD-O 3.28Å; R132-H206 WeakPolarHBondContact CG-O 3.47Å; R132-H206 PolarHBondContact NE-O 3.38Å; P136-H206 HydrophobicContact CB-CB 4.14Å; N204-H206 VanDerWaalsContact CG-ND1 3.26Å; N204-H206 PolarHBondContact ND2-ND1 3.47Å; N204-H206 PolarHBondContact O-N 2.93Å; N204-H206 PolarHBondContact O-ND1 3.38Å; N204-H206 VanDerWaalsContact OD1-CB 3.28Å; N204-H206 WeakPolarHBondContact OD1-CB 3.38Å; N204-H206 PolarHBondContact OD1-N 2.88Å; N204-H206 PolarHBondContact OD1-ND1 2.82Å |
| 207 | K | 91.6 | Very high | 89.9 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -21.1 | 175 | -79.5 | 174 | -178.1 | 174 | 0 | 112.7 | Y186 P189 F205 | Y186-K207 WeakPolarHBondContact OH-CB 3.36Å; P189-K207 HydrophobicContact CG-CD 4.19Å; F205-K207 PolarHBondContact O-N 3Å |
| 208 | L | 92.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | -63.3 | 139.1 | 175.6 | -171.5 | 152.7 | 0 | 0 | 0 | 110.8 | M133 M154 I156 Y186 F205 L210 | M133-L208 HydrophobicContact CE-CD2 4.36Å; M133-L208 HydrophobicContact SD-CD2 4.48Å; M154-L208 HydrophobicContact CE-CD1 3.51Å; M154-L208 HydrophobicContact CE-CG 4.48Å; I156-L208 HydrophobicContact CD1-CD2 4.22Å; Y186-L208 VanDerWaalsContact CB-CD1 3.46Å; Y186-L208 HydrophobicContact CD1-CD1 4.39Å; Y186-L208 HydrophobicContact CD2-CB 3.74Å; Y186-L208 HydrophobicContact CD2-CD1 3.77Å; Y186-L208 HydrophobicContact CD2-CG 3.79Å; Y186-L208 HydrophobicContact CE2-CB 3.87Å; Y186-L208 HydrophobicContact CE2-CG 4.4Å; Y186-L208 HydrophobicContact CG-CB 4.21Å; Y186-L208 HydrophobicContact CG-CD1 3.62Å; Y186-L208 HydrophobicContact CG-CG 4.18Å; F205-L208 VanDerWaalsContact O-CB 3.3Å; F205-L208 WeakPolarHBondContact O-CB 3.39Å; F205-L208 PolarHBondContact O-N 3.1Å; L208-L210 HydrophobicContact CD2-CD2 3.5Å; L208-L210 VanDerWaalsContact CD2-CD2 3.5Å; L208-L210 HydrophobicContact CD2-CG 4.38Å | ||
| 209 | K | 93.3 | Very high | 85.7 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 30% | 0.3 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.7 | 177.4 | -74.9 | 171.6 | 158.6 | -161.8 | 0 | 111.2 | S129 G130 R131 R132 T224 N225 T226 | S129-K209 PolarHBondContact O-NZ 2.9Å; G130-K209 WeakPolarHBondContact O-CE 3.5Å; R131-K209 CarbonylContact O-C 3.48Å; R131-K209 WeakPolarHBondContact O-CA 3.29Å; R132-K209 HydrophobicContact CG-CG 4.36Å; K209-T224 PolarHBondContact N-O 3.33Å; K209-N225 WeakPolarHBondContact CB-OD1 3.43Å; K209-N225 WeakPolarHBondContact CD-OD1 3.38Å; K209-N225 WeakPolarHBondContact O-CA 3.44Å; K209-T226 PolarHBondContact O-N 3.2Å |
| 210 | L | 94.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.3 | 172.5 | -50.5 | -176.9 | 0 | 0 | 0 | 110.2 | M124 I126 T127 G130 R131 M133 I156 L208 T226 L228 F264 | M124-L210 HydrophobicContact CB-CD1 3.74Å; M124-L210 HydrophobicContact CG-CD1 4.3Å; I126-L210 HydrophobicContact CB-CB 4.4Å; I126-L210 HydrophobicContact CG2-CB 3.67Å; I126-L210 HydrophobicContact CG2-CD1 4.33Å; T127-L210 PolarHBondContact N-O 2.95Å; G130-L210 WeakPolarHBondContact CA-O 3.46Å; R131-L210 PolarHBondContact N-O 3.01Å; R131-L210 PolarHBondContact O-N 3.33Å; M133-L210 HydrophobicContact CG-CD1 3.79Å; M133-L210 HydrophobicContact CG-CD2 4.28Å; M133-L210 HydrophobicContact CG-CG 3.92Å; M133-L210 HydrophobicContact SD-CD1 4.2Å; M133-L210 HydrophobicContact SD-CD2 4.28Å; M133-L210 HydrophobicContact SD-CG 4.47Å; I156-L210 HydrophobicContact CD1-CD2 3.54Å; L208-L210 HydrophobicContact CD2-CD2 3.5Å; L208-L210 VanDerWaalsContact CD2-CD2 3.5Å; L208-L210 HydrophobicContact CD2-CG 4.38Å; L210-T226 WeakPolarHBondContact CA-O 3.32Å; L210-L228 HydrophobicContact CB-CD1 4.32Å; L210-L228 HydrophobicContact CD1-CD1 3.97Å; L210-L228 HydrophobicContact CD2-CD1 3.89Å; L210-L228 HydrophobicContact CG-CD1 4.28Å; L210-F264 HydrophobicContact CD1-CE2 3.9Å; L210-F264 HydrophobicContact CD1-CZ 3.79Å |
| 211 | T | 92.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.4 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | T127 K128 N213 N225 T226 I227 L228 | T127-T211 VanDerWaalsContact O-CA 3.28Å; T127-T211 WeakPolarHBondContact O-CA 3.3Å; T127-T211 VanDerWaalsContact O-CB 3.3Å; T127-T211 WeakPolarHBondContact O-CB 3.43Å; T127-T211 PolarHBondContact O-OG1 3.23Å; K128-T211 PolarHBondContact O-OG1 2.98Å; T211-N213 WeakPolarHBondContact OG1-CB 3.43Å; T211-N213 PolarHBondContact OG1-N 3.29Å; T211-N225 HydrophobicContact CG2-CB 4.11Å; T211-T226 PolarHBondContact N-O 3.19Å; T211-I227 HydrophobicContact CG2-CB 4.43Å; T211-I227 HydrophobicContact CG2-CG1 3.91Å; T211-I227 CarbonylContact O-C 3.58Å; T211-I227 WeakPolarHBondContact O-CA 3.46Å; T211-L228 PolarHBondContact O-N 2.92Å |
| 212 | N | 92.3 | Very high | 78.6 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | trans | -95.7 | 1.3 | 168.8 | 67.2 | -27.7 | 0 | 0 | 0 | 112.8 | I126 K128 I214 | I126-N212 HydrophobicContact CD1-CB 3.73Å; I126-N212 HydrophobicContact CG1-CB 4.05Å; K128-N212 WeakPolarHBondContact CA-OD1 3.25Å; K128-N212 PolarHBondContact N-OD1 3.38Å; K128-N212 VanDerWaalsContact N-OD1 3.15Å; N212-I214 PolarHBondContact O-N 2.97Å; N212-I214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | N | 88.8 | Confident | 76.9 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | trans | -84.4 | 90 | -174.8 | -175.8 | 21.6 | 0 | 0 | 0 | 112.1 | K128 T211 S215 D216 I227 | K128-N213 HydrophobicContact CG-CB 4.18Å; T211-N213 WeakPolarHBondContact OG1-CB 3.43Å; T211-N213 PolarHBondContact OG1-N 3.29Å; N213-S215 PolarHBondContact O-N 3.36Å; N213-S215 PolarHBondContact OD1-N 3.03Å; N213-S215 PolarHBondContact OD1-OG 2.77Å; N213-D216 HydrophobicContact CB-CB 4.49Å; N213-D216 WeakPolarHBondContact O-CB 3.48Å; N213-D216 PolarHBondContact O-N 3.43Å; N213-D216 VanDerWaalsContact O-N 3.13Å; N213-I227 WeakPolarHBondContact O-CD1 3.28Å | ||
| 214 | I | 82.6 | Confident | 75.8 | Confident | 114 Ų | 114 | 67 Ų | 67 | 59% | 0.585 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -26.7 | 174 | 66.3 | 172.9 | 0 | 0 | 0 | 113.5 | M181 N212 D216 I227 | M181-I214 HydrophobicContact CE-CG2 4.29Å; M181-I214 HydrophobicContact CG-CG2 4.32Å; M181-I214 HydrophobicContact SD-CB 4.26Å; M181-I214 HydrophobicContact SD-CG2 3.63Å; N212-I214 PolarHBondContact O-N 2.97Å; N212-I214 VanDerWaalsContact O-N 3.16Å; I214-D216 VanDerWaalsContact C-N 3.33Å; I214-D216 PolarHBondContact O-N 3.01Å; I214-I227 HydrophobicContact CG2-CG2 4.15Å |
| 215 | S | 75.7 | Confident | 75.2 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 57% | 0.573 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.7 | -177 | 76.3 | 0 | 0 | 0 | 0 | 114.8 | N213 K217 | N213-S215 PolarHBondContact O-N 3.36Å; N213-S215 PolarHBondContact OD1-N 3.03Å; N213-S215 PolarHBondContact OD1-OG 2.77Å; S215-K217 PolarHBondContact O-N 2.78Å |
| 216 | D | 68.8 | Low | 75 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | trans | -69.2 | 92.1 | -174.4 | -170.4 | 15.4 | 0 | 0 | 0 | 113.3 | N213 I214 H218 G219 N225 | N213-D216 HydrophobicContact CB-CB 4.49Å; N213-D216 WeakPolarHBondContact O-CB 3.48Å; N213-D216 PolarHBondContact O-N 3.43Å; N213-D216 VanDerWaalsContact O-N 3.13Å; I214-D216 VanDerWaalsContact C-N 3.33Å; I214-D216 PolarHBondContact O-N 3.01Å; D216-H218 PolarHBondContact O-N 2.9Å; D216-H218 VanDerWaalsContact O-N 3.13Å; D216-H218 WeakPolarHBondContact OD1-CB 3.37Å; D216-H218 IonicContact OD1-CE1 2.75Å; D216-H218 IonicContact OD1-CG 2.91Å; D216-H218 PolarHBondContact OD1-N 3.35Å; D216-H218 IonicContact OD1-ND1 3.53Å; D216-H218 PolarHBondContact OD1-ND1 2.85Å; D216-G219 PolarHBondContact O-N 3.05Å; D216-N225 PolarHBondContact OD2-ND2 3.1Å | ||
| 217 | K | 59.7 | Low | 75.1 | Confident | 196 Ų | 196 | 63.3 Ų | 63.3 | 85% | 0.852 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -61.5 | -17 | 178.1 | -62 | -168.7 | 179.4 | -173.5 | 0 | 113.5 | S215 G219 | S215-K217 PolarHBondContact O-N 2.78Å; K217-G219 PolarHBondContact O-N 2.81Å |
| 218 | H | 54.7 | Low | 75.2 | Confident | 128 Ų | 128 | 58.9 Ų | 58.9 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -65.5 | -23.1 | 172.9 | -57.1 | 90 | 0 | 0 | 0 | 112 | D216 F220 V221 S222 | D216-H218 PolarHBondContact O-N 2.9Å; D216-H218 VanDerWaalsContact O-N 3.13Å; D216-H218 WeakPolarHBondContact OD1-CB 3.37Å; D216-H218 IonicContact OD1-CE1 2.75Å; D216-H218 IonicContact OD1-CG 2.91Å; D216-H218 PolarHBondContact OD1-N 3.35Å; D216-H218 IonicContact OD1-ND1 3.53Å; D216-H218 PolarHBondContact OD1-ND1 2.85Å; H218-F220 PolarHBondContact O-N 3.03Å; H218-V221 PolarHBondContact O-N 2.89Å; H218-S222 WeakPolarHBondContact O-CA 3.39Å; H218-S222 PolarHBondContact O-N 2.86Å |
| 219 | G | 51.1 | Low | 75.3 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -68.4 | 12.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | R184 D216 K217 | R184-G219 PolarHBondContact NE-O 3.23Å; D216-G219 PolarHBondContact O-N 3.05Å; K217-G219 PolarHBondContact O-N 2.81Å |
| 220 | F | 48 | Very low | 75.4 | Confident | 200 Ų | 200 | 57.9 Ų | 57.9 | 88% | 0.877 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -101.5 | -17.8 | 166 | -102.6 | -79.6 | 0 | 0 | 0 | 113.6 | H218 | H218-F220 PolarHBondContact O-N 3.03Š|
| 221 | V | 40.9 | Very low | 75.6 | Confident | 139 Ų | 139 | 59.2 Ų | 59.2 | 84% | 0.842 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | -39.7 | -176.8 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | H218 S223 | H218-V221 PolarHBondContact O-N 2.89Å; V221-S223 PolarHBondContact O-N 3.48Å |
| 222 | S | 49.3 | Very low | 75.8 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | trans | -82 | 93.3 | 165.2 | -162.6 | 0 | 0 | 0 | 0 | 109.4 | H218 T224 | H218-S222 WeakPolarHBondContact O-CA 3.39Å; H218-S222 PolarHBondContact O-N 2.86Å; S222-T224 PolarHBondContact O-N 3.38Å; S222-T224 PolarHBondContact OG-OG1 2.85Å | ||
| 223 | S | 60.7 | Low | 76 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 2.9 | 170.8 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | Y186 V221 | Y186-S223 WeakPolarHBondContact CD2-O 3.44Å; V221-S223 PolarHBondContact O-N 3.48Å |
| 224 | T | 73.8 | Confident | 76.4 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -19.9 | -166.1 | 68.7 | 0 | 0 | 0 | 0 | 115.5 | Y186 K209 S222 | Y186-T224 HydrophobicContact CE2-CG2 4.34Å; K209-T224 PolarHBondContact N-O 3.33Å; S222-T224 PolarHBondContact O-N 3.38Å; S222-T224 PolarHBondContact OG-OG1 2.85Å |
| 225 | N | 83.1 | Confident | 77.1 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112.8 | -177.7 | -72.8 | -16.6 | 0 | 0 | 0 | 111.1 | K209 T211 D216 | K209-N225 WeakPolarHBondContact CB-OD1 3.43Å; K209-N225 WeakPolarHBondContact CD-OD1 3.38Å; K209-N225 WeakPolarHBondContact O-CA 3.44Å; T211-N225 HydrophobicContact CG2-CB 4.11Å; D216-N225 PolarHBondContact OD2-ND2 3.1Å |
| 226 | T | 90.6 | Very high | 78.2 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.3 | 168.2 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | I156 K209 L210 T211 L228 | I156-T226 HydrophobicContact CB-CG2 4.26Å; I156-T226 HydrophobicContact CD1-CG2 4.26Å; I156-T226 HydrophobicContact CG1-CG2 4.5Å; K209-T226 PolarHBondContact O-N 3.2Å; L210-T226 WeakPolarHBondContact CA-O 3.32Å; T211-T226 PolarHBondContact N-O 3.19Å; T226-L228 HydrophobicContact CG2-CD2 4Å; T226-L228 HydrophobicContact CG2-CG 4.44Å |
| 227 | I | 92.1 | Very high | 79.5 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.7 | 178.3 | -50.8 | -176.5 | 0 | 0 | 0 | 108.9 | M181 R184 T211 N213 I214 | M181-I227 HydrophobicContact CB-CG2 4.48Å; M181-I227 HydrophobicContact CG-CG2 4.14Å; R184-I227 VanDerWaalsContact NH1-CD1 3.26Å; T211-I227 HydrophobicContact CG2-CB 4.43Å; T211-I227 HydrophobicContact CG2-CG1 3.91Å; T211-I227 CarbonylContact O-C 3.58Å; T211-I227 WeakPolarHBondContact O-CA 3.46Å; N213-I227 WeakPolarHBondContact O-CD1 3.28Å; I214-I227 HydrophobicContact CG2-CG2 4.15Å |
| 228 | L | 94.2 | Very high | 81.3 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | trans | -129 | 148.3 | 178.1 | -57.6 | -179 | 0 | 0 | 0 | 110.9 | I126 I156 L210 T211 T226 Y234 F264 A266 | I126-L228 WeakPolarHBondContact CD1-O 3.22Å; I126-L228 HydrophobicContact CG2-CD1 4.48Å; I156-L228 HydrophobicContact CB-CD2 4.43Å; I156-L228 HydrophobicContact CG2-CD2 3.95Å; L210-L228 HydrophobicContact CB-CD1 4.32Å; L210-L228 HydrophobicContact CD1-CD1 3.97Å; L210-L228 HydrophobicContact CD2-CD1 3.89Å; L210-L228 HydrophobicContact CG-CD1 4.28Å; T211-L228 PolarHBondContact O-N 2.92Å; T226-L228 HydrophobicContact CG2-CD2 4Å; T226-L228 HydrophobicContact CG2-CG 4.44Å; L228-Y234 HydrophobicContact CB-CE2 3.87Å; L228-Y234 HydrophobicContact CD1-CD2 4.04Å; L228-Y234 HydrophobicContact CD1-CE2 4.23Å; L228-Y234 HydrophobicContact CD1-CG 4.33Å; L228-Y234 HydrophobicContact CD2-CD1 3.8Å; L228-Y234 HydrophobicContact CD2-CD2 4.32Å; L228-Y234 HydrophobicContact CD2-CE1 3.69Å; L228-Y234 HydrophobicContact CD2-CE2 4.17Å; L228-Y234 HydrophobicContact CD2-CG 4.14Å; L228-Y234 HydrophobicContact CG-CE2 4.32Å; L228-F264 HydrophobicContact CD1-CE2 3.78Å; L228-F264 HydrophobicContact CD1-CZ 3.78Å; L228-A266 HydrophobicContact CB-CB 4.25Å; L228-A266 HydrophobicContact CD1-CB 4.12Å | ||
| 229 | N | 94.6 | Very high | 83.2 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | trans | -81.2 | 136.4 | 171.4 | -61.6 | -17.8 | 0 | 0 | 0 | 108.7 | D178 P179 H232 Y234 | D178-N229 PolarHBondContact O-ND2 3.22Å; P179-N229 PolarHBondContact O-ND2 3.01Å; N229-H232 WeakPolarHBondContact CB-ND1 3.36Å; N229-Y234 PolarHBondContact N-OH 3.21Å; N229-Y234 PolarHBondContact O-OH 3.23Å | ||
| 230 | S | 96.2 | Very high | 85.4 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 151.2 | 177.4 | -165.5 | 0 | 0 | 0 | 0 | 111 | H232 A266 T268 | S230-H232 VanDerWaalsContact C-N 3.3Å; S230-H232 PolarHBondContact O-CE1 3.34Å; S230-H232 PolarHBondContact O-N 3.22Å; S230-H232 PolarHBondContact O-ND1 3.28Å; S230-A266 CarbonylContact C-O 3.54Å; S230-T268 PolarHBondContact OG-N 3.01Å |
| 231 | M | 97.1 | Very high | 87.7 | Confident | 30 Ų | 30 | 27 Ų | 27 | 15% | 0.148 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 29.3 | -179.3 | -42.7 | -55.1 | -77.9 | 0 | 0 | 114.3 | Y164 W171 A266 V267 Q271 | Y164-M231 PolarHBondContact N-O 2.88Å; Y164-M231 WeakPolarHBondContact O-CB 3.4Å; W171-M231 HydrophobicContact CH2-CE 3.84Å; W171-M231 HydrophobicContact CZ3-CE 3.7Å; M231-A266 PolarHBondContact N-O 2.93Å; M231-V267 HydrophobicContact SD-CG1 4.13Å; M231-Q271 HydrophobicContact CE-CG 4.27Å |
| 232 | H | 97.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.3 | 174.9 | -66.7 | 79.2 | 0 | 0 | 0 | 110.2 | C162 A177 D178 N229 S230 Y234 I265 A266 | C162-H232 PolarHBondContact O-CD2 3.06Å; A177-H232 VanDerWaalsContact CA-NE2 3.3Å; A177-H232 WeakPolarHBondContact CA-NE2 3.47Å; D178-H232 PolarHBondContact N-NE2 2.76Å; D178-H232 IonicContact OD2-CE1 3.28Å; D178-H232 PolarHBondContact OD2-CE1 2.93Å; D178-H232 IonicContact OD2-NE2 1.87Å; N229-H232 WeakPolarHBondContact CB-ND1 3.36Å; S230-H232 VanDerWaalsContact C-N 3.3Å; S230-H232 PolarHBondContact O-CE1 3.34Å; S230-H232 PolarHBondContact O-N 3.22Å; S230-H232 PolarHBondContact O-ND1 3.28Å; H232-Y234 HydrophobicContact CB-CE2 3.67Å; H232-Y234 WeakPolarHBondContact O-CD2 3.22Å; H232-Y234 WeakPolarHBondContact O-CE2 3.28Å; H232-I265 WeakPolarHBondContact O-CA 3.47Å; H232-A266 PolarHBondContact O-N 3.32Å |
| 233 | K | 97.3 | Very high | 92.3 | Very high | 57 Ų | 57 | 24 Ų | 24 | 25% | 0.248 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.7 | 179.3 | -162.4 | -170.1 | 179.4 | -162 | 0 | 110.8 | A159 D160 Y164 D263 F264 I265 | A159-K233 HydrophobicContact CB-CB 4.16Å; A159-K233 HydrophobicContact CB-CD 3.9Å; A159-K233 HydrophobicContact CB-CG 3.9Å; A159-K233 PolarHBondContact N-O 3.29Å; D160-K233 WeakPolarHBondContact OD2-CB 3.33Å; D160-K233 VanDerWaalsContact OD2-CD 3.25Å; D160-K233 WeakPolarHBondContact OD2-CD 3.29Å; Y164-K233 HydrophobicContact CD2-CB 4.46Å; Y164-K233 HydrophobicContact CE2-CB 3.87Å; K233-D263 WeakPolarHBondContact CE-OD2 3.28Å; K233-D263 IonicContact NZ-OD2 3.95Å; K233-D263 PolarHBondContact NZ-OD2 2.87Å; K233-F264 CarbonylContact C-O 3.58Å; K233-F264 WeakPolarHBondContact CA-O 3.46Å; K233-I265 HydrophobicContact CB-CG1 4.2Å; K233-I265 HydrophobicContact CG-CG1 4.14Å |
| 234 | Y | 97.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148 | -174.4 | -69.5 | -73.8 | 0 | 0 | 0 | 112.3 | I156 V157 A158 L228 N229 H232 D263 F264 A266 | I156-Y234 HydrophobicContact CG2-CD1 4Å; I156-Y234 HydrophobicContact CG2-CG 4.06Å; V157-Y234 WeakPolarHBondContact O-CA 3.41Å; V157-Y234 WeakPolarHBondContact O-CD1 3.48Å; A158-Y234 HydrophobicContact CB-CE1 4.4Å; L228-Y234 HydrophobicContact CB-CE2 3.87Å; L228-Y234 HydrophobicContact CD1-CD2 4.04Å; L228-Y234 HydrophobicContact CD1-CE2 4.23Å; L228-Y234 HydrophobicContact CD1-CG 4.33Å; L228-Y234 HydrophobicContact CD2-CD1 3.8Å; L228-Y234 HydrophobicContact CD2-CD2 4.32Å; L228-Y234 HydrophobicContact CD2-CE1 3.69Å; L228-Y234 HydrophobicContact CD2-CE2 4.17Å; L228-Y234 HydrophobicContact CD2-CG 4.14Å; L228-Y234 HydrophobicContact CG-CE2 4.32Å; N229-Y234 PolarHBondContact N-OH 3.21Å; N229-Y234 PolarHBondContact O-OH 3.23Å; H232-Y234 HydrophobicContact CB-CE2 3.67Å; H232-Y234 WeakPolarHBondContact O-CD2 3.22Å; H232-Y234 WeakPolarHBondContact O-CE2 3.28Å; Y234-D263 WeakPolarHBondContact O-CA 3.49Å; Y234-F264 HydrophobicContact CD2-CE2 4.19Å; Y234-F264 HydrophobicContact CG-CE2 4.47Å; Y234-F264 PolarHBondContact N-O 2.97Å; Y234-F264 PolarHBondContact O-N 2.99Å; Y234-A266 HydrophobicContact CD2-CB 3.79Å; Y234-A266 HydrophobicContact CE2-CB 3.71Å |
| 235 | Q | 97.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 13% | 0.126 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.3 | 174.8 | 177.8 | 62.3 | 68.1 | 0 | 0 | 109.4 | V157 A159 R237 V258 F259 T262 | V157-Q235 HydrophobicContact CG2-CB 4.29Å; V157-Q235 PolarHBondContact N-O 3.21Å; V157-Q235 VanDerWaalsContact N-O 3.12Å; V157-Q235 PolarHBondContact O-N 3.15Å; A159-Q235 HydrophobicContact CB-CB 4.35Å; Q235-R237 HydrophobicContact CG-CG 4.39Å; Q235-V258 VanDerWaalsContact CD-CG1 3.44Å; Q235-V258 HydrophobicContact CG-CG1 3.52Å; Q235-F259 PolarHBondContact NE2-O 3.43Å; Q235-T262 PolarHBondContact NE2-OG1 3.38Å |
| 236 | P | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 138.9 | 164 | -20.6 | 32.9 | 0 | 0 | 0 | 111.1 | F137 T262 F264 | F137-P236 HydrophobicContact CD2-CB 4.15Å; F137-P236 HydrophobicContact CE2-CB 4.03Å; P236-T262 WeakPolarHBondContact CD-O 3.32Å; P236-T262 WeakPolarHBondContact CG-O 3.31Å; P236-F264 HydrophobicContact CG-CD1 4.25Å; P236-F264 HydrophobicContact CG-CE1 3.97Å |
| 237 | R | 96.5 | Very high | 94.6 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130 | 171.6 | -52.8 | 158.2 | 59.1 | -130.9 | 12.3 | 108.7 | M154 D155 V157 Q235 H239 T256 Y257 V258 | M154-R237 WeakPolarHBondContact CA-O 3.48Å; M154-R237 WeakPolarHBondContact CG-O 3.35Å; D155-R237 PolarHBondContact N-O 3.37Å; D155-R237 PolarHBondContact O-N 3.45Å; D155-R237 WeakPolarHBondContact OD1-CB 3.46Å; D155-R237 IonicContact OD1-CZ 2.62Å; D155-R237 IonicContact OD1-NE 2.86Å; D155-R237 IonicContact OD1-NH1 3.71Å; D155-R237 PolarHBondContact OD1-NH1 2.92Å; D155-R237 IonicContact OD2-NH1 2.83Å; D155-R237 PolarHBondContact OD2-NH1 3.44Å; V157-R237 HydrophobicContact CG2-CG 4.37Å; Q235-R237 HydrophobicContact CG-CG 4.39Å; R237-H239 WeakPolarHBondContact CB-NE2 3.43Å; R237-H239 PolarHBondContact NH1-CE1 3.26Å; R237-H239 PolarHBondContact NH1-NE2 2.84Å; R237-H239 PolarHBondContact NH2-CE1 2.8Å; R237-H239 PolarHBondContact O-CD2 2.73Å; R237-H239 VanDerWaalsContact O-CD2 3.27Å; R237-H239 PolarHBondContact O-NE2 2.97Å; R237-T256 HydrophobicContact CB-CG2 4.16Å; R237-Y257 WeakPolarHBondContact CA-O 3.15Å; R237-V258 HydrophobicContact CB-CG2 4.44Å; R237-V258 HydrophobicContact CG-CG1 4.48Å; R237-V258 HydrophobicContact CG-CG2 4.03Å |
| 238 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.7 | 179.1 | 169.9 | -104.3 | 0 | 0 | 0 | 109.8 | V106 F137 V139 L152 F205 I240 T256 Y257 | V106-F238 HydrophobicContact CB-CE1 4.44Å; V106-F238 HydrophobicContact CG1-CD1 3.73Å; V106-F238 HydrophobicContact CG1-CE1 3.7Å; V106-F238 HydrophobicContact CG2-CD1 4.23Å; V106-F238 HydrophobicContact CG2-CE1 3.83Å; F137-F238 HydrophobicContact CE1-CB 3.95Å; F137-F238 HydrophobicContact CE1-CD2 4.45Å; F137-F238 HydrophobicContact CE1-CG 4.42Å; F137-F238 HydrophobicContact CZ-CB 3.94Å; V139-F238 HydrophobicContact CG2-CD1 4.27Å; V139-F238 HydrophobicContact CG2-CD2 4.05Å; V139-F238 HydrophobicContact CG2-CE1 4Å; V139-F238 HydrophobicContact CG2-CE2 3.77Å; V139-F238 HydrophobicContact CG2-CG 4.28Å; V139-F238 HydrophobicContact CG2-CZ 3.73Å; L152-F238 HydrophobicContact CB-CE2 4.15Å; L152-F238 HydrophobicContact CB-CZ 4.43Å; L152-F238 HydrophobicContact CD1-CE2 4.34Å; L152-F238 HydrophobicContact CD1-CZ 4.02Å; L152-F238 HydrophobicContact CD2-CE2 4.44Å; L152-F238 HydrophobicContact CD2-CZ 3.91Å; L152-F238 HydrophobicContact CG-CZ 4.35Å; F205-F238 AromaticContact CE2-CD2 3.69Å; F205-F238 HydrophobicContact CE2-CD2 3.69Å; F205-F238 AromaticContact CE2-CE2 3.66Å; F205-F238 HydrophobicContact CE2-CE2 3.66Å; F205-F238 AromaticContact CZ-CD2 3.81Å; F205-F238 HydrophobicContact CZ-CD2 3.81Å; F205-F238 AromaticContact CZ-CE2 3.74Å; F205-F238 HydrophobicContact CZ-CE2 3.74Å; F238-I240 HydrophobicContact CD1-CG1 4.44Å; F238-I240 HydrophobicContact CE1-CD1 3.96Å; F238-I240 HydrophobicContact CE1-CG1 3.58Å; F238-I240 HydrophobicContact CZ-CG1 3.95Å; F238-T256 CarbonylContact O-C 3.51Å; F238-Y257 AromaticContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CG 4.27Å; F238-Y257 HydrophobicContact CE1-CD2 4.32Å; F238-Y257 PolarHBondContact N-O 2.74Å; F238-Y257 PolarHBondContact O-N 3.46Å |
| 239 | H | 96 | Very high | 93.9 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.7 | -171.2 | -58.8 | -94.7 | 0 | 0 | 0 | 111.1 | L153 D155 R237 F254 R255 T256 | L153-H239 HydrophobicContact CD1-CB 3.52Å; L153-H239 HydrophobicContact CG-CB 3.88Å; L153-H239 PolarHBondContact N-O 3.48Å; L153-H239 VanDerWaalsContact N-O 3.1Å; L153-H239 PolarHBondContact O-N 2.83Å; D155-H239 IonicContact OD1-CD2 3.75Å; D155-H239 IonicContact OD1-CE1 3.95Å; D155-H239 IonicContact OD1-NE2 2.78Å; D155-H239 PolarHBondContact OD1-NE2 2.88Å; D155-H239 IonicContact OD2-NE2 2.71Å; D155-H239 PolarHBondContact OD2-NE2 3.47Å; R237-H239 WeakPolarHBondContact CB-NE2 3.43Å; R237-H239 PolarHBondContact NH1-CE1 3.26Å; R237-H239 PolarHBondContact NH1-NE2 2.84Å; R237-H239 PolarHBondContact NH2-CE1 2.8Å; R237-H239 PolarHBondContact O-CD2 2.73Å; R237-H239 VanDerWaalsContact O-CD2 3.27Å; R237-H239 PolarHBondContact O-NE2 2.97Å; H239-F254 HydrophobicContact CB-CD1 4.18Å; H239-F254 AromaticContact ND1-CD1 3.89Å; H239-R255 WeakPolarHBondContact CA-O 3.18Å; H239-T256 VanDerWaalsContact CE1-CG2 3.4Å; H239-T256 WeakPolarHBondContact CE1-CG2 3.3Å; H239-T256 PolarHBondContact CE1-OG1 2.85Å; H239-T256 PolarHBondContact ND1-OG1 3.13Å |
| 240 | I | 96.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.8 | 170 | -54.6 | -178.1 | 0 | 0 | 0 | 108 | P104 V106 L144 Y150 L152 F238 R255 Y257 | P104-I240 HydrophobicContact CB-CD1 3.91Å; V106-I240 HydrophobicContact CG2-CD1 3.7Å; L144-I240 HydrophobicContact CD2-CD1 4.4Å; L144-I240 HydrophobicContact CD2-CG2 3.95Å; Y150-I240 HydrophobicContact CD1-CG2 3.73Å; Y150-I240 HydrophobicContact CE1-CG2 4.44Å; Y150-I240 HydrophobicContact CG-CG2 4.43Å; L152-I240 HydrophobicContact CD2-CB 4.05Å; L152-I240 HydrophobicContact CD2-CG1 3.72Å; L152-I240 HydrophobicContact CD2-CG2 3.96Å; F238-I240 HydrophobicContact CD1-CG1 4.44Å; F238-I240 HydrophobicContact CE1-CD1 3.96Å; F238-I240 HydrophobicContact CE1-CG1 3.58Å; F238-I240 HydrophobicContact CZ-CG1 3.95Å; I240-R255 HydrophobicContact CB-CB 4.41Å; I240-R255 PolarHBondContact N-O 3.12Å; I240-R255 PolarHBondContact O-N 2.9Å; I240-Y257 HydrophobicContact CB-CE2 4.31Å; I240-Y257 HydrophobicContact CD1-CD2 4.42Å; I240-Y257 HydrophobicContact CD1-CE2 3.64Å; I240-Y257 HydrophobicContact CG1-CD2 4.3Å; I240-Y257 HydrophobicContact CG1-CE2 3.76Å |
| 241 | V | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.7 | 177.6 | -172.2 | 0 | 0 | 0 | 0 | 109.3 | Y150 I151 L153 A243 L249 F254 | Y150-V241 CarbonylContact C-O 3.56Å; Y150-V241 VanDerWaalsContact CA-O 3.24Å; Y150-V241 WeakPolarHBondContact CA-O 3.4Å; I151-V241 PolarHBondContact N-O 2.87Å; I151-V241 PolarHBondContact O-N 2.91Å; L153-V241 HydrophobicContact CD2-CG2 4.43Å; V241-A243 HydrophobicContact CG1-CB 4.06Å; V241-A243 PolarHBondContact O-N 2.93Å; V241-L249 HydrophobicContact CB-CD2 3.98Å; V241-L249 HydrophobicContact CG1-CD2 3.83Å; V241-L249 HydrophobicContact CG2-CD2 4.03Å; V241-F254 HydrophobicContact CG2-CD1 3.7Å; V241-F254 HydrophobicContact CG2-CD2 4.48Å; V241-F254 HydrophobicContact CG2-CE1 3.95Å; V241-F254 HydrophobicContact CG2-CG 3.99Å; V241-F254 HydrophobicContact CG2-CZ 4.42Å |
| 242 | R | 94.3 | Very high | 92.8 | Very high | 115 Ų | 115 | 52.3 Ų | 52.3 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | trans | -76.5 | 86.5 | 176.6 | -169.3 | 176.9 | -176.3 | 159.7 | -10.4 | 109.2 | V100 D102 D145 A148 K149 Y150 | V100-R242 PolarHBondContact O-NH1 2.89Å; V100-R242 VanDerWaalsContact O-NH1 3.1Å; D102-R242 VanDerWaalsContact CG-NH1 3.27Å; D102-R242 IonicContact OD1-NH1 2.74Å; D102-R242 WeakPolarHBondContact OD2-CD 3.42Å; D102-R242 IonicContact OD2-CZ 3.55Å; D102-R242 IonicContact OD2-NE 3.73Å; D102-R242 IonicContact OD2-NH1 2.57Å; D102-R242 PolarHBondContact OD2-NH1 3.23Å; D145-R242 IonicContact OD2-NH2 3.51Å; A148-R242 HydrophobicContact CB-CG 4.3Å; K149-R242 CarbonylContact O-C 3.52Å; Y150-R242 HydrophobicContact CD1-CB 3.88Å; Y150-R242 HydrophobicContact CD1-CG 4.2Å; Y150-R242 HydrophobicContact CE1-CB 3.66Å; Y150-R242 HydrophobicContact CE1-CG 3.68Å | ||
| 243 | A | 92.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | trans | -143.9 | 140.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K149 I151 V241 | K149-A243 CarbonylContact C-O 3.54Å; K149-A243 PolarHBondContact O-N 3.27Å; I151-A243 HydrophobicContact CD1-CB 4.01Å; I151-A243 HydrophobicContact CG1-CB 4.47Å; V241-A243 HydrophobicContact CG1-CB 4.06Å; V241-A243 PolarHBondContact O-N 2.93Å | ||
| 244 | N | 91.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -88.4 | -9.4 | 179.5 | 76 | -74.5 | 0 | 0 | 0 | 114.3 | K149 K248 | K149-N244 HydrophobicContact CB-CB 4.44Å; K149-N244 HydrophobicContact CD-CB 4.26Å; N244-K248 WeakPolarHBondContact OD1-CD 3.36Å; N244-K248 WeakPolarHBondContact OD1-CE 3.47Å; N244-K248 PolarHBondContact OD1-NZ 2.88Å |
| 245 | D | 90.4 | Very high | 92.2 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -153.9 | 144.2 | -174.2 | 178.5 | 19 | 0 | 0 | 0 | 110.6 | I151 L247 K248 | I151-D245 WeakPolarHBondContact CD1-O 3.46Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 PolarHBondContact O-N 2.92Å; D245-L247 PolarHBondContact OD1-N 3.06Å; D245-L247 WeakPolarHBondContact OD2-CB 3.46Å; D245-K248 PolarHBondContact O-N 2.91Å |
| 246 | I | 88 | Confident | 92.1 | Very high | 70 Ų | 70 | 64 Ų | 64 | 36% | 0.359 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -66.7 | -32.2 | -178.8 | -65.4 | 170.9 | 0 | 0 | 0 | 111.2 | I151 I187 K248 L249 | I151-I246 HydrophobicContact CD1-CB 4.37Å; I151-I246 HydrophobicContact CD1-CG1 3.86Å; I187-I246 HydrophobicContact CD1-CG2 3.81Å; I246-K248 PolarHBondContact O-N 2.83Å; I246-K248 VanDerWaalsContact O-N 3.13Å; I246-L249 HydrophobicContact CG2-CD1 4.02Å; I246-L249 WeakPolarHBondContact O-CB 3.43Å; I246-L249 WeakPolarHBondContact O-CG 3.48Å; I246-L249 PolarHBondContact O-N 2.91Å |
| 247 | L | 88 | Confident | 92.2 | Very high | 137 Ų | 137 | 66.2 Ų | 66.2 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -63.3 | -19.1 | 178 | -57.9 | 178.2 | 0 | 0 | 0 | 113.2 | D245 P250 | D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 PolarHBondContact O-N 2.92Å; D245-L247 PolarHBondContact OD1-N 3.06Å; D245-L247 WeakPolarHBondContact OD2-CB 3.46Å; L247-P250 WeakPolarHBondContact O-CD 3.16Å |
| 248 | K | 86.3 | Confident | 92.2 | Very high | 99 Ų | 99 | 66.6 Ų | 66.6 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -84.6 | -10.6 | 176.4 | -64.2 | -174.2 | 176.9 | -178.3 | 0 | 114.1 | N244 D245 I246 P250 Y251 S252 | N244-K248 WeakPolarHBondContact OD1-CD 3.36Å; N244-K248 WeakPolarHBondContact OD1-CE 3.47Å; N244-K248 PolarHBondContact OD1-NZ 2.88Å; D245-K248 PolarHBondContact O-N 2.91Å; I246-K248 PolarHBondContact O-N 2.83Å; I246-K248 VanDerWaalsContact O-N 3.13Å; K248-P250 VanDerWaalsContact C-CD 3.43Å; K248-Y251 PolarHBondContact O-N 3.21Å; K248-S252 PolarHBondContact O-N 2.84Å; K248-S252 VanDerWaalsContact O-N 3.15Å; K248-S252 PolarHBondContact O-OG 2.78Å |
| 249 | L | 85.4 | Confident | 92.2 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -51.2 | -43.1 | -177.6 | -74.2 | 179 | 0 | 0 | 0 | 114 | I151 L153 I187 V241 I246 Y251 S252 F254 | I151-L249 HydrophobicContact CB-CD2 4.08Å; I151-L249 HydrophobicContact CD1-CD1 4.44Å; I151-L249 HydrophobicContact CD1-CD2 3.78Å; I151-L249 HydrophobicContact CD1-CG 3.97Å; I151-L249 HydrophobicContact CG2-CD1 4.28Å; I151-L249 HydrophobicContact CG2-CD2 3.99Å; L153-L249 HydrophobicContact CD2-CD1 3.94Å; L153-L249 HydrophobicContact CD2-CD2 4Å; I187-L249 HydrophobicContact CD1-CD1 3.68Å; I187-L249 HydrophobicContact CG1-CD1 4.31Å; V241-L249 HydrophobicContact CB-CD2 3.98Å; V241-L249 HydrophobicContact CG1-CD2 3.83Å; V241-L249 HydrophobicContact CG2-CD2 4.03Å; I246-L249 HydrophobicContact CG2-CD1 4.02Å; I246-L249 WeakPolarHBondContact O-CB 3.43Å; I246-L249 WeakPolarHBondContact O-CG 3.48Å; I246-L249 PolarHBondContact O-N 2.91Å; L249-Y251 PolarHBondContact O-N 3.16Å; L249-Y251 VanDerWaalsContact O-N 3.1Å; L249-S252 PolarHBondContact O-N 2.79Å; L249-F254 VanDerWaalsContact O-CE2 3.24Å; L249-F254 WeakPolarHBondContact O-CE2 3.46Å |
| 250 | P | 87.2 | Confident | 92.3 | Very high | 103 Ų | 103 | 71.5 Ų | 71.5 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -63.7 | -17.3 | 179.9 | -22.8 | 35.3 | 0 | 0 | 0 | 115 | L247 K248 | L247-P250 WeakPolarHBondContact O-CD 3.16Å; K248-P250 VanDerWaalsContact C-CD 3.43Å |
| 251 | Y | 86.9 | Confident | 92.3 | Very high | 209 Ų | 209 | 72.4 Ų | 72.4 | 82% | 0.82 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -114.8 | 2 | -176.2 | -50.5 | -74.8 | 0 | 0 | 0 | 113 | K248 L249 | K248-Y251 PolarHBondContact O-N 3.21Å; L249-Y251 PolarHBondContact O-N 3.16Å; L249-Y251 VanDerWaalsContact O-N 3.1Å |
| 252 | S | 90.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 19% | 0.189 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -100.5 | 153.4 | -175.4 | -59 | 0 | 0 | 0 | 0 | 111.5 | K248 L249 F254 | K248-S252 PolarHBondContact O-N 2.84Å; K248-S252 VanDerWaalsContact O-N 3.15Å; K248-S252 PolarHBondContact O-OG 2.78Å; L249-S252 PolarHBondContact O-N 2.79Å; S252-F254 VanDerWaalsContact O-CD2 3.23Å; S252-F254 WeakPolarHBondContact O-CD2 3.2Å; S252-F254 WeakPolarHBondContact O-CE2 3.44Å |
| 253 | T | 90.6 | Very high | 92.6 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 69% | 0.693 | 35% | 0.348 | S | S | * | . | trans | -77.9 | 129.1 | 178.3 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 254 | F | 93.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 67.6 Ų | 67.6 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | trans | -97.4 | 108.4 | -179.8 | -71.9 | -111.4 | 0 | 0 | 0 | 110.8 | L153 M185 H239 V241 L249 S252 T256 | L153-F254 HydrophobicContact CD1-CE1 4.14Å; L153-F254 HydrophobicContact CD2-CE1 4Å; M185-F254 HydrophobicContact CE-CE1 3.81Å; M185-F254 HydrophobicContact CE-CZ 4.07Å; M185-F254 HydrophobicContact SD-CE1 3.95Å; M185-F254 HydrophobicContact SD-CZ 4.25Å; H239-F254 HydrophobicContact CB-CD1 4.18Å; H239-F254 AromaticContact ND1-CD1 3.89Å; V241-F254 HydrophobicContact CG2-CD1 3.7Å; V241-F254 HydrophobicContact CG2-CD2 4.48Å; V241-F254 HydrophobicContact CG2-CE1 3.95Å; V241-F254 HydrophobicContact CG2-CG 3.99Å; V241-F254 HydrophobicContact CG2-CZ 4.42Å; L249-F254 VanDerWaalsContact O-CE2 3.24Å; L249-F254 WeakPolarHBondContact O-CE2 3.46Å; S252-F254 VanDerWaalsContact O-CD2 3.23Å; S252-F254 WeakPolarHBondContact O-CD2 3.2Å; S252-F254 WeakPolarHBondContact O-CE2 3.44Å; F254-T256 PolarHBondContact O-N 2.8Å | ||
| 255 | R | 94.7 | Very high | 93.2 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 41% | 0.408 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 107.6 | 167 | -63.7 | -171.7 | -176.8 | -144.9 | 13.9 | 108.1 | D102 H239 I240 Y257 | D102-R255 PolarHBondContact O-NH1 3.04Å; D102-R255 PolarHBondContact O-NH2 3.14Å; H239-R255 WeakPolarHBondContact CA-O 3.18Å; I240-R255 HydrophobicContact CB-CB 4.41Å; I240-R255 PolarHBondContact N-O 3.12Å; I240-R255 PolarHBondContact O-N 2.9Å; R255-Y257 HydrophobicContact CB-CE2 4.05Å; R255-Y257 WeakPolarHBondContact O-CE2 3.16Å |
| 256 | T | 96.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135 | -173.7 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | R237 F238 H239 F254 V258 | R237-T256 HydrophobicContact CB-CG2 4.16Å; F238-T256 CarbonylContact O-C 3.51Å; H239-T256 VanDerWaalsContact CE1-CG2 3.4Å; H239-T256 WeakPolarHBondContact CE1-CG2 3.3Å; H239-T256 PolarHBondContact CE1-OG1 2.85Å; H239-T256 PolarHBondContact ND1-OG1 3.13Å; F254-T256 PolarHBondContact O-N 2.8Å; T256-V258 HydrophobicContact CG2-CG2 4.09Å |
| 257 | Y | 97.3 | Very high | 94 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 18% | 0.18 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.3 | 175.9 | -57.3 | -95.1 | 0 | 0 | 0 | 109.7 | P104 V106 R237 F238 I240 R255 | P104-Y257 WeakPolarHBondContact CB-OH 3.39Å; P104-Y257 VanDerWaalsContact CG-OH 3.24Å; P104-Y257 WeakPolarHBondContact CG-OH 3.15Å; P104-Y257 WeakPolarHBondContact O-CE1 3.09Å; P104-Y257 PolarHBondContact O-OH 3.17Å; V106-Y257 HydrophobicContact CB-CD1 3.77Å; V106-Y257 HydrophobicContact CB-CE1 4.08Å; V106-Y257 HydrophobicContact CB-CG 4.03Å; V106-Y257 HydrophobicContact CG2-CD1 3.6Å; V106-Y257 HydrophobicContact CG2-CD2 3.81Å; V106-Y257 HydrophobicContact CG2-CE1 3.52Å; V106-Y257 HydrophobicContact CG2-CE2 3.77Å; V106-Y257 HydrophobicContact CG2-CG 3.75Å; R237-Y257 WeakPolarHBondContact CA-O 3.15Å; F238-Y257 AromaticContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CG 4.27Å; F238-Y257 HydrophobicContact CE1-CD2 4.32Å; F238-Y257 PolarHBondContact N-O 2.74Å; F238-Y257 PolarHBondContact O-N 3.46Å; I240-Y257 HydrophobicContact CB-CE2 4.31Å; I240-Y257 HydrophobicContact CD1-CD2 4.42Å; I240-Y257 HydrophobicContact CD1-CE2 3.64Å; I240-Y257 HydrophobicContact CG1-CD2 4.3Å; I240-Y257 HydrophobicContact CG1-CE2 3.76Å; R255-Y257 HydrophobicContact CB-CE2 4.05Å; R255-Y257 WeakPolarHBondContact O-CE2 3.16Å |
| 258 | V | 97.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.4 | -176.2 | -167.6 | 0 | 0 | 0 | 0 | 108.5 | Q235 R237 T256 | Q235-V258 VanDerWaalsContact CD-CG1 3.44Å; Q235-V258 HydrophobicContact CG-CG1 3.52Å; R237-V258 HydrophobicContact CB-CG2 4.44Å; R237-V258 HydrophobicContact CG-CG1 4.48Å; R237-V258 HydrophobicContact CG-CG2 4.03Å; T256-V258 HydrophobicContact CG2-CG2 4.09Å |
| 259 | F | 97.6 | Very high | 95 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | trans | -115.3 | 100.5 | 178.9 | -63.9 | -75.5 | 0 | 0 | 0 | 107.8 | V106 L108 F137 V139 Q235 E261 T262 | V106-F259 HydrophobicContact CB-CZ 4.34Å; V106-F259 HydrophobicContact CG1-CE2 4.18Å; V106-F259 HydrophobicContact CG1-CZ 3.91Å; L108-F259 HydrophobicContact CB-CD1 3.83Å; L108-F259 HydrophobicContact CB-CE1 3.87Å; L108-F259 HydrophobicContact CB-CG 4.19Å; L108-F259 HydrophobicContact CB-CZ 4.26Å; L108-F259 HydrophobicContact CD1-CD2 4.34Å; L108-F259 HydrophobicContact CD1-CG 4.41Å; L108-F259 HydrophobicContact CD2-CB 4.24Å; L108-F259 HydrophobicContact CD2-CD1 4.44Å; L108-F259 HydrophobicContact CD2-CG 4.34Å; F137-F259 HydrophobicContact CE2-CD2 4.14Å; F137-F259 AromaticContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CE2 4.2Å; V139-F259 HydrophobicContact CG1-CE2 3.92Å; V139-F259 HydrophobicContact CG1-CZ 4.43Å; Q235-F259 PolarHBondContact NE2-O 3.43Å; F259-E261 WeakPolarHBondContact CA-OE2 3.22Å; F259-E261 WeakPolarHBondContact CB-OE2 3.31Å; F259-E261 PolarHBondContact O-N 2.91Å; F259-T262 HydrophobicContact CB-CG2 3.69Å; F259-T262 WeakPolarHBondContact O-CB 3.35Å; F259-T262 PolarHBondContact O-N 3.19Å; F259-T262 PolarHBondContact O-OG1 3.11Å | ||
| 260 | P | 97.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 53% | 0.532 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -57.1 | -31.2 | -176.1 | -26.3 | 35.8 | 0 | 0 | 0 | 113.8 | T262 D263 | P260-T262 PolarHBondContact O-N 3.28Å; P260-D263 WeakPolarHBondContact O-CB 3.41Å; P260-D263 VanDerWaalsContact O-CG 3.31Å; P260-D263 PolarHBondContact O-N 3.29Å; P260-D263 VanDerWaalsContact O-N 3.15Å |
| 261 | E | 97.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -66.9 | -10.2 | 174.9 | 71.8 | -86.3 | -141.3 | 0 | 0 | 113.9 | L108 K111 W114 E115 F259 | L108-E261 HydrophobicContact CD2-CG 3.66Å; L108-E261 WeakPolarHBondContact CD2-OE1 3.3Å; K111-E261 WeakPolarHBondContact CE-OE1 3.26Å; K111-E261 HydrophobicContact CG-CG 4.49Å; W114-E261 HydrophobicContact CB-CG 4.05Å; E115-E261 HydrophobicContact CG-CB 4.34Å; F259-E261 WeakPolarHBondContact CA-OE2 3.22Å; F259-E261 WeakPolarHBondContact CB-OE2 3.31Å; F259-E261 PolarHBondContact O-N 2.91Å |
| 262 | T | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -96.7 | 3.6 | 175.2 | 70 | 0 | 0 | 0 | 0 | 113.7 | L108 W114 F137 Q235 P236 F259 P260 | L108-T262 HydrophobicContact CD1-CG2 3.86Å; L108-T262 HydrophobicContact CD2-CG2 3.57Å; L108-T262 HydrophobicContact CG-CG2 4.4Å; W114-T262 HydrophobicContact CD2-CG2 3.79Å; W114-T262 HydrophobicContact CE3-CG2 3.93Å; W114-T262 HydrophobicContact CG-CG2 4.17Å; W114-T262 HydrophobicContact CH2-CG2 4.48Å; W114-T262 HydrophobicContact CZ2-CG2 4.38Å; W114-T262 HydrophobicContact CZ3-CG2 4.27Å; F137-T262 HydrophobicContact CD2-CG2 4.19Å; F137-T262 HydrophobicContact CE2-CG2 4.03Å; Q235-T262 PolarHBondContact NE2-OG1 3.38Å; P236-T262 WeakPolarHBondContact CD-O 3.32Å; P236-T262 WeakPolarHBondContact CG-O 3.31Å; F259-T262 HydrophobicContact CB-CG2 3.69Å; F259-T262 WeakPolarHBondContact O-CB 3.35Å; F259-T262 PolarHBondContact O-N 3.19Å; F259-T262 PolarHBondContact O-OG1 3.11Å; P260-T262 PolarHBondContact O-N 3.28Å |
| 263 | D | 97.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 10% | 0.096 | 26% | 0.264 | C | S | . | . | trans | -58.6 | 152.6 | 170.4 | 79.6 | 4.4 | 0 | 0 | 0 | 111.9 | H118 T122 K233 Y234 P260 | H118-D263 IonicContact CE1-OD1 3.91Å; H118-D263 PolarHBondContact CE1-OD1 2.92Å; H118-D263 VanDerWaalsContact CE1-OD1 3.29Å; H118-D263 IonicContact CE1-OD2 3.9Å; H118-D263 IonicContact ND1-OD1 3.45Å; H118-D263 PolarHBondContact ND1-OD1 3Å; H118-D263 IonicContact ND1-OD2 3.21Å; T122-D263 WeakPolarHBondContact CB-O 3.48Å; T122-D263 PolarHBondContact OG1-O 2.85Å; K233-D263 WeakPolarHBondContact CE-OD2 3.28Å; K233-D263 IonicContact NZ-OD2 3.95Å; K233-D263 PolarHBondContact NZ-OD2 2.87Å; Y234-D263 WeakPolarHBondContact O-CA 3.49Å; P260-D263 WeakPolarHBondContact O-CB 3.41Å; P260-D263 VanDerWaalsContact O-CG 3.31Å; P260-D263 PolarHBondContact O-N 3.29Å; P260-D263 VanDerWaalsContact O-N 3.15Å | ||
| 264 | F | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 160.5 | 177.5 | 67.1 | -93.2 | 0 | 0 | 0 | 113.1 | T122 M124 M133 I156 L210 L228 K233 Y234 P236 A266 | T122-F264 HydrophobicContact CG2-CB 3.69Å; T122-F264 CarbonylContact O-C 3.59Å; T122-F264 VanDerWaalsContact O-CA 3.22Å; T122-F264 WeakPolarHBondContact O-CA 3.34Å; T122-F264 WeakPolarHBondContact O-CB 3.11Å; M124-F264 HydrophobicContact CB-CD2 3.53Å; M124-F264 HydrophobicContact CB-CE2 3.74Å; M124-F264 HydrophobicContact CB-CG 4.12Å; M124-F264 HydrophobicContact CB-CZ 4.47Å; M124-F264 HydrophobicContact CG-CB 3.85Å; M124-F264 HydrophobicContact CG-CD1 3.93Å; M124-F264 HydrophobicContact CG-CD2 3.43Å; M124-F264 VanDerWaalsContact CG-CD2 3.43Å; M124-F264 HydrophobicContact CG-CE1 4.3Å; M124-F264 HydrophobicContact CG-CE2 3.86Å; M124-F264 HydrophobicContact CG-CG 3.47Å; M124-F264 VanDerWaalsContact CG-CG 3.47Å; M124-F264 HydrophobicContact CG-CZ 4.28Å; M133-F264 HydrophobicContact SD-CE1 4.39Å; I156-F264 HydrophobicContact CD1-CZ 4.34Å; I156-F264 HydrophobicContact CG2-CE1 4.34Å; I156-F264 HydrophobicContact CG2-CZ 4.12Å; L210-F264 HydrophobicContact CD1-CE2 3.9Å; L210-F264 HydrophobicContact CD1-CZ 3.79Å; L228-F264 HydrophobicContact CD1-CE2 3.78Å; L228-F264 HydrophobicContact CD1-CZ 3.78Å; K233-F264 CarbonylContact C-O 3.58Å; K233-F264 WeakPolarHBondContact CA-O 3.46Å; Y234-F264 HydrophobicContact CD2-CE2 4.19Å; Y234-F264 HydrophobicContact CG-CE2 4.47Å; Y234-F264 PolarHBondContact N-O 2.97Å; Y234-F264 PolarHBondContact O-N 2.99Å; P236-F264 HydrophobicContact CG-CD1 4.25Å; P236-F264 HydrophobicContact CG-CE1 3.97Å; F264-A266 HydrophobicContact CE2-CB 4.17Å |
| 265 | I | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.2 | 165.8 | -63 | 172.8 | 0 | 0 | 0 | 108.9 | T122 E123 M124 Y164 W171 H232 K233 V267 | T122-I265 PolarHBondContact O-N 3.33Å; E123-I265 WeakPolarHBondContact CA-O 3.37Å; M124-I265 PolarHBondContact N-O 3.15Å; Y164-I265 HydrophobicContact CD1-CD1 4.38Å; Y164-I265 HydrophobicContact CG-CD1 4.2Å; W171-I265 HydrophobicContact CB-CD1 4.44Å; W171-I265 HydrophobicContact CD2-CD1 3.48Å; W171-I265 VanDerWaalsContact CD2-CD1 3.48Å; W171-I265 HydrophobicContact CE3-CD1 3.69Å; W171-I265 HydrophobicContact CG-CD1 3.84Å; W171-I265 HydrophobicContact CH2-CB 4.33Å; W171-I265 HydrophobicContact CH2-CD1 4.31Å; W171-I265 HydrophobicContact CH2-CG2 3.66Å; W171-I265 HydrophobicContact CZ2-CB 4.3Å; W171-I265 HydrophobicContact CZ2-CD1 4.18Å; W171-I265 HydrophobicContact CZ2-CG2 4.12Å; W171-I265 HydrophobicContact CZ3-CD1 4.09Å; W171-I265 HydrophobicContact CZ3-CG2 3.95Å; H232-I265 WeakPolarHBondContact O-CA 3.47Å; K233-I265 HydrophobicContact CB-CG1 4.2Å; K233-I265 HydrophobicContact CG-CG1 4.14Å; I265-V267 HydrophobicContact CG2-CG1 4.12Å |
| 266 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I126 L228 S230 M231 H232 Y234 F264 | I126-A266 HydrophobicContact CD1-CB 4.3Å; I126-A266 HydrophobicContact CG2-CB 3.96Å; L228-A266 HydrophobicContact CB-CB 4.25Å; L228-A266 HydrophobicContact CD1-CB 4.12Å; S230-A266 CarbonylContact C-O 3.54Å; M231-A266 PolarHBondContact N-O 2.93Å; H232-A266 PolarHBondContact O-N 3.32Å; Y234-A266 HydrophobicContact CD2-CB 3.79Å; Y234-A266 HydrophobicContact CE2-CB 3.71Å; F264-A266 HydrophobicContact CE2-CB 4.17Å |
| 267 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.4 | -175.4 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | E123 M124 V125 I126 W171 M231 I265 A269 Q271 | E123-V267 HydrophobicContact CB-CG2 4.1Å; M124-V267 PolarHBondContact O-N 3.15Å; V125-V267 CarbonylContact C-O 3.59Å; V125-V267 VanDerWaalsContact CA-O 3.22Å; V125-V267 WeakPolarHBondContact CA-O 3.4Å; V125-V267 HydrophobicContact CG2-CG2 4.2Å; I126-V267 PolarHBondContact N-O 2.88Å; W171-V267 HydrophobicContact CH2-CG1 3.92Å; W171-V267 HydrophobicContact CZ2-CG1 4.28Å; M231-V267 HydrophobicContact SD-CG1 4.13Å; I265-V267 HydrophobicContact CG2-CG1 4.12Å; V267-A269 WeakPolarHBondContact CB-O 2.95Å; V267-A269 WeakPolarHBondContact CG2-O 3.37Å; V267-Q271 HydrophobicContact CG1-CG 4.15Å |
| 268 | T | 97.3 | Very high | 97.2 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -77.5 | -29.3 | 171.8 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | S230 | S230-T268 PolarHBondContact OG-N 3.01Š|
| 269 | A | 97.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 45% | 0.446 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -146.8 | 151.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V267 Q271 | V267-A269 WeakPolarHBondContact CB-O 2.95Å; V267-A269 WeakPolarHBondContact CG2-O 3.37Å; A269-Q271 PolarHBondContact O-NE2 2.85Å |
| 270 | Y | 97.9 | Very high | 97 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | trans | -57.7 | 143.7 | 179.9 | -62.8 | -59.8 | 0 | 0 | 0 | 111.9 | E123 V125 I275 T276 K279 | E123-Y270 HydrophobicContact CB-CD1 4.07Å; E123-Y270 HydrophobicContact CB-CE1 4.45Å; E123-Y270 WeakPolarHBondContact OE2-CA 3.26Å; V125-Y270 HydrophobicContact CG2-CD1 3.86Å; V125-Y270 HydrophobicContact CG2-CD2 4.29Å; V125-Y270 HydrophobicContact CG2-CE1 3.52Å; V125-Y270 HydrophobicContact CG2-CE2 3.98Å; V125-Y270 HydrophobicContact CG2-CG 4.23Å; Y270-I275 HydrophobicContact CD1-CG2 4.22Å; Y270-I275 HydrophobicContact CE1-CG2 4.35Å; Y270-T276 VanDerWaalsContact CB-OG1 3.31Å; Y270-T276 WeakPolarHBondContact CB-OG1 3.49Å; Y270-T276 HydrophobicContact CD2-CG2 4.28Å; Y270-K279 HydrophobicContact CE1-CD 4.3Å; Y270-K279 HydrophobicContact CE1-CG 3.99Å; Y270-K279 HydrophobicContact CE2-CG 4.33Å; Y270-K279 WeakPolarHBondContact OH-CG 3.3Å | ||
| 271 | Q | 97.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 40.2 Ų | 40.2 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | trans | -107.7 | -43.6 | -179 | -55.4 | -64.7 | -75 | 0 | 0 | 111 | E123 F166 W171 M231 V267 A269 | E123-Q271 PolarHBondContact OE2-N 3.27Å; F166-Q271 HydrophobicContact CB-CB 3.64Å; F166-Q271 HydrophobicContact CB-CG 4.1Å; F166-Q271 HydrophobicContact CD1-CB 3.71Å; F166-Q271 WeakPolarHBondContact CD1-O 3.02Å; F166-Q271 HydrophobicContact CD2-CB 4.4Å; F166-Q271 HydrophobicContact CE1-CB 4.43Å; F166-Q271 WeakPolarHBondContact CE1-O 2.87Å; F166-Q271 HydrophobicContact CG-CB 3.68Å; W171-Q271 HydrophobicContact CH2-CB 4.2Å; W171-Q271 HydrophobicContact CH2-CG 3.72Å; W171-Q271 HydrophobicContact CZ2-CB 3.99Å; W171-Q271 HydrophobicContact CZ2-CG 3.96Å; M231-Q271 HydrophobicContact CE-CG 4.27Å; V267-Q271 HydrophobicContact CG1-CG 4.15Å; A269-Q271 PolarHBondContact O-NE2 2.85Å | ||
| 272 | N | 96.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | trans | -93.3 | 109.2 | 177.3 | -174.5 | 0.8 | 0 | 0 | 0 | 111.1 | K120 E123 F166 K274 I275 T276 | K120-N272 PolarHBondContact O-ND2 2.79Å; E123-N272 WeakPolarHBondContact OE1-CB 3.49Å; E123-N272 PolarHBondContact OE1-N 2.94Å; F166-N272 HydrophobicContact CE1-CB 4.23Å; F166-N272 HydrophobicContact CE2-CB 3.99Å; F166-N272 HydrophobicContact CZ-CB 3.61Å; N272-K274 PolarHBondContact O-N 2.82Å; N272-K274 VanDerWaalsContact OD1-CB 3.31Å; N272-K274 WeakPolarHBondContact OD1-CB 3.47Å; N272-K274 PolarHBondContact OD1-N 2.94Å; N272-K274 VanDerWaalsContact OD1-N 3.12Å; N272-I275 HydrophobicContact CB-CB 4.33Å; N272-I275 HydrophobicContact CB-CG1 3.94Å; N272-I275 WeakPolarHBondContact O-CA 3.4Å; N272-I275 VanDerWaalsContact O-CB 3.31Å; N272-I275 WeakPolarHBondContact O-CB 3.39Å; N272-I275 PolarHBondContact O-N 3.2Å; N272-T276 PolarHBondContact O-N 3.44Å; N272-T276 VanDerWaalsContact O-N 3.14Å | ||
| 273 | D | 95.5 | Very high | 96.7 | Very high | 119 Ų | 119 | 43.7 Ų | 43.7 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -55.8 | -26.5 | 176.6 | -76.8 | -45.7 | 0 | 0 | 0 | 113.8 | I275 T276 Q277 | D273-I275 VanDerWaalsContact C-N 3.29Å; D273-I275 PolarHBondContact O-N 3.02Å; D273-T276 WeakPolarHBondContact O-CB 3.42Å; D273-T276 PolarHBondContact O-N 3.16Å; D273-T276 VanDerWaalsContact O-N 3.13Å; D273-Q277 WeakPolarHBondContact O-CG 3.46Å; D273-Q277 PolarHBondContact O-N 3.13Å |
| 274 | K | 96.1 | Very high | 96.5 | Very high | 123 Ų | 123 | 47.5 Ų | 47.5 | 54% | 0.535 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.7 | -31.8 | 175.5 | -59.4 | 165.6 | -175.9 | 166 | 0 | 111.3 | N272 L278 | N272-K274 PolarHBondContact O-N 2.82Å; N272-K274 VanDerWaalsContact OD1-CB 3.31Å; N272-K274 WeakPolarHBondContact OD1-CB 3.47Å; N272-K274 PolarHBondContact OD1-N 2.94Å; N272-K274 VanDerWaalsContact OD1-N 3.12Å; K274-L278 WeakPolarHBondContact O-CG 3.22Å; K274-L278 PolarHBondContact O-N 3.13Å |
| 275 | I | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -47.1 | 167.7 | -63 | -73 | 0 | 0 | 0 | 109.3 | F117 K120 G121 E123 Y270 N272 D273 Q277 L278 K279 | F117-I275 HydrophobicContact CD1-CD1 3.85Å; F117-I275 HydrophobicContact CD1-CG2 4.27Å; F117-I275 HydrophobicContact CE1-CG2 4.22Å; K120-I275 HydrophobicContact CB-CD1 3.56Å; K120-I275 HydrophobicContact CB-CG1 4.23Å; G121-I275 WeakPolarHBondContact O-CD1 3.36Å; G121-I275 WeakPolarHBondContact O-CG1 3.42Å; E123-I275 HydrophobicContact CB-CG2 4.08Å; E123-I275 HydrophobicContact CG-CG1 4.33Å; E123-I275 HydrophobicContact CG-CG2 4.41Å; Y270-I275 HydrophobicContact CD1-CG2 4.22Å; Y270-I275 HydrophobicContact CE1-CG2 4.35Å; N272-I275 HydrophobicContact CB-CB 4.33Å; N272-I275 HydrophobicContact CB-CG1 3.94Å; N272-I275 WeakPolarHBondContact O-CA 3.4Å; N272-I275 VanDerWaalsContact O-CB 3.31Å; N272-I275 WeakPolarHBondContact O-CB 3.39Å; N272-I275 PolarHBondContact O-N 3.2Å; D273-I275 VanDerWaalsContact C-N 3.29Å; D273-I275 PolarHBondContact O-N 3.02Å; I275-Q277 VanDerWaalsContact C-N 3.32Å; I275-Q277 PolarHBondContact O-N 3.05Å; I275-L278 PolarHBondContact O-N 3.02Å; I275-L278 VanDerWaalsContact O-N 3.11Å; I275-K279 HydrophobicContact CG2-CD 4.39Å; I275-K279 HydrophobicContact CG2-CG 4.02Å; I275-K279 VanDerWaalsContact O-CG 3.28Å; I275-K279 WeakPolarHBondContact O-CG 3.28Å; I275-K279 PolarHBondContact O-N 3.25Å |
| 276 | T | 96.1 | Very high | 95.9 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -52.2 | -47 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | Y270 N272 D273 K279 I280 | Y270-T276 VanDerWaalsContact CB-OG1 3.31Å; Y270-T276 WeakPolarHBondContact CB-OG1 3.49Å; Y270-T276 HydrophobicContact CD2-CG2 4.28Å; N272-T276 PolarHBondContact O-N 3.44Å; N272-T276 VanDerWaalsContact O-N 3.14Å; D273-T276 WeakPolarHBondContact O-CB 3.42Å; D273-T276 PolarHBondContact O-N 3.16Å; D273-T276 VanDerWaalsContact O-N 3.13Å; T276-K279 PolarHBondContact O-N 2.78Å; T276-I280 HydrophobicContact CG2-CD1 4.09Å; T276-I280 WeakPolarHBondContact O-CG1 3.38Å; T276-I280 PolarHBondContact O-N 3.48Å |
| 277 | Q | 95.6 | Very high | 95.6 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 175.5 | -60.8 | -53.8 | -27.5 | 0 | 0 | 111.9 | D273 I275 K279 I280 D281 | D273-Q277 WeakPolarHBondContact O-CG 3.46Å; D273-Q277 PolarHBondContact O-N 3.13Å; I275-Q277 VanDerWaalsContact C-N 3.32Å; I275-Q277 PolarHBondContact O-N 3.05Å; Q277-K279 PolarHBondContact O-N 3.01Å; Q277-K279 VanDerWaalsContact O-N 3.15Å; Q277-I280 CarbonylContact O-C 3.49Å; Q277-I280 WeakPolarHBondContact O-CA 3.48Å; Q277-I280 WeakPolarHBondContact O-CB 3.42Å; Q277-I280 PolarHBondContact O-N 3.22Å; Q277-D281 VanDerWaalsContact O-CG 3.26Å; Q277-D281 PolarHBondContact O-N 2.74Å |
| 278 | L | 96.1 | Very high | 95.2 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.4 | -36.6 | 175.5 | -74.2 | 174.5 | 0 | 0 | 0 | 112.9 | L116 F117 K120 K274 I275 H282 | L116-L278 HydrophobicContact CD1-CD2 4.33Å; L116-L278 HydrophobicContact CD2-CD2 3.7Å; L116-L278 HydrophobicContact CG-CD1 4.14Å; L116-L278 HydrophobicContact CG-CD2 3.87Å; F117-L278 HydrophobicContact CD1-CB 4.19Å; F117-L278 HydrophobicContact CD1-CD1 4.32Å; F117-L278 HydrophobicContact CE1-CB 3.44Å; F117-L278 VanDerWaalsContact CE1-CB 3.44Å; F117-L278 HydrophobicContact CE1-CD1 4.37Å; F117-L278 HydrophobicContact CZ-CB 3.7Å; K120-L278 HydrophobicContact CB-CD1 4.48Å; K120-L278 HydrophobicContact CG-CD1 3.87Å; K274-L278 WeakPolarHBondContact O-CG 3.22Å; K274-L278 PolarHBondContact O-N 3.13Å; I275-L278 PolarHBondContact O-N 3.02Å; I275-L278 VanDerWaalsContact O-N 3.11Å; L278-H282 WeakPolarHBondContact O-CB 3.41Å; L278-H282 PolarHBondContact O-N 2.91Å; L278-H282 VanDerWaalsContact O-N 3.15Å; L278-H282 PolarHBondContact O-ND1 3.3Å |
| 279 | K | 96.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 172.8 | -58.2 | -72.1 | -170.5 | -151.6 | 0 | 111 | F117 E123 F134 Y270 I275 T276 Q277 N283 | F117-K279 HydrophobicContact CD1-CD 4.47Å; F117-K279 HydrophobicContact CE1-CD 3.55Å; F117-K279 HydrophobicContact CE1-CG 3.92Å; F117-K279 HydrophobicContact CZ-CD 3.75Å; F117-K279 HydrophobicContact CZ-CG 4.28Å; E123-K279 WeakPolarHBondContact O-CE 3.49Å; E123-K279 PolarHBondContact O-NZ 3.26Å; F134-K279 HydrophobicContact CD1-CD 3.81Å; F134-K279 PolarHBondContact O-NZ 2.84Å; Y270-K279 HydrophobicContact CE1-CD 4.3Å; Y270-K279 HydrophobicContact CE1-CG 3.99Å; Y270-K279 HydrophobicContact CE2-CG 4.33Å; Y270-K279 WeakPolarHBondContact OH-CG 3.3Å; I275-K279 HydrophobicContact CG2-CD 4.39Å; I275-K279 HydrophobicContact CG2-CG 4.02Å; I275-K279 VanDerWaalsContact O-CG 3.28Å; I275-K279 WeakPolarHBondContact O-CG 3.28Å; I275-K279 PolarHBondContact O-N 3.25Å; T276-K279 PolarHBondContact O-N 2.78Å; Q277-K279 PolarHBondContact O-N 3.01Å; Q277-K279 VanDerWaalsContact O-N 3.15Å; K279-N283 WeakPolarHBondContact O-CB 3.39Å; K279-N283 PolarHBondContact O-N 3.36Å |
| 280 | I | 95.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 69.8 Ų | 69.8 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.5 | -71.6 | 165.2 | 0 | 0 | 0 | 111.2 | T276 Q277 A286 F289 R290 | T276-I280 HydrophobicContact CG2-CD1 4.09Å; T276-I280 WeakPolarHBondContact O-CG1 3.38Å; T276-I280 PolarHBondContact O-N 3.48Å; Q277-I280 CarbonylContact O-C 3.49Å; Q277-I280 WeakPolarHBondContact O-CA 3.48Å; Q277-I280 WeakPolarHBondContact O-CB 3.42Å; Q277-I280 PolarHBondContact O-N 3.22Å; I280-A286 HydrophobicContact CG1-CB 4.48Å; I280-F289 HydrophobicContact CD1-CB 4.07Å; I280-F289 HydrophobicContact CG1-CB 4.07Å; I280-F289 HydrophobicContact CG2-CB 3.97Å; I280-R290 HydrophobicContact CG2-CB 4.35Å; I280-R290 HydrophobicContact CG2-CG 3.53Å; I280-R290 PolarHBondContact O-NE 2.95Å; I280-R290 PolarHBondContact O-NH2 2.89Å |
| 281 | D | 95.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 72.5 Ų | 72.5 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.2 | -31.1 | -174 | -62.3 | -30.7 | 0 | 0 | 0 | 113.8 | Q277 R290 | Q277-D281 VanDerWaalsContact O-CG 3.26Å; Q277-D281 PolarHBondContact O-N 2.74Å; D281-R290 VanDerWaalsContact C-CZ 3.49Å; D281-R290 PolarHBondContact O-NH1 2.85Å; D281-R290 PolarHBondContact O-NH2 2.93Å |
| 282 | H | 94.9 | Very high | 91.3 | Very high | 75 Ų | 75 | 72.5 Ų | 72.5 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -105.4 | -25.2 | -176.4 | -60 | 86.9 | 0 | 0 | 0 | 113.6 | L113 F134 L278 P284 | L113-H282 HydrophobicContact CD1-CB 3.99Å; L113-H282 HydrophobicContact CD2-CB 4.42Å; F134-H282 HydrophobicContact CE1-CB 3.9Å; F134-H282 VanDerWaalsContact CZ-C 3.4Å; F134-H282 HydrophobicContact CZ-CB 3.81Å; F134-H282 WeakPolarHBondContact CZ-O 3.45Å; L278-H282 WeakPolarHBondContact O-CB 3.41Å; L278-H282 PolarHBondContact O-N 2.91Å; L278-H282 VanDerWaalsContact O-N 3.15Å; L278-H282 PolarHBondContact O-ND1 3.3Å; H282-P284 WeakPolarHBondContact O-CD 3.38Å |
| 283 | N | 95.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 11% | 0.112 | 39% | 0.39 | C | S | . | . | trans | -84.3 | 120.2 | -179.2 | -169.3 | -18.6 | 0 | 0 | 0 | 111.4 | F134 K279 F285 A286 R290 | F134-N283 HydrophobicContact CD1-CB 4.1Å; F134-N283 HydrophobicContact CD2-CB 3.9Å; F134-N283 HydrophobicContact CE1-CB 3.96Å; F134-N283 HydrophobicContact CE2-CB 3.75Å; F134-N283 HydrophobicContact CG-CB 4.08Å; F134-N283 HydrophobicContact CZ-CB 3.8Å; K279-N283 WeakPolarHBondContact O-CB 3.39Å; K279-N283 PolarHBondContact O-N 3.36Å; N283-F285 PolarHBondContact O-N 2.95Å; N283-F285 WeakPolarHBondContact OD1-CB 3.2Å; N283-F285 WeakPolarHBondContact OD1-CD2 3.34Å; N283-F285 PolarHBondContact OD1-N 3.02Å; N283-A286 HydrophobicContact CB-CB 4.07Å; N283-A286 PolarHBondContact O-N 3.09Å; N283-R290 PolarHBondContact O-NH2 2.75Å | ||
| 284 | P | 93.6 | Very high | 87.6 | Confident | 97 Ų | 97 | 75 Ų | 75 | 63% | 0.63 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -58.3 | -35.1 | 176.8 | -25 | 35.5 | 0 | 0 | 0 | 113.1 | H282 A286 K287 | H282-P284 WeakPolarHBondContact O-CD 3.38Å; P284-A286 PolarHBondContact O-N 3.09Å; P284-K287 WeakPolarHBondContact O-CB 3.38Å; P284-K287 PolarHBondContact O-N 3.47Å |
| 285 | F | 92.2 | Very high | 85.6 | Confident | 189 Ų | 189 | 71.6 Ų | 71.6 | 83% | 0.829 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -72.1 | -7.1 | 178.9 | -59.2 | -73.7 | 0 | 0 | 0 | 113.7 | N283 | N283-F285 PolarHBondContact O-N 2.95Å; N283-F285 WeakPolarHBondContact OD1-CB 3.2Å; N283-F285 WeakPolarHBondContact OD1-CD2 3.34Å; N283-F285 PolarHBondContact OD1-N 3.02Å |
| 286 | A | 92.7 | Very high | 83.6 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 12% | 0.124 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -106.1 | 3.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | I280 N283 P284 G288 F289 | I280-A286 HydrophobicContact CG1-CB 4.48Å; N283-A286 HydrophobicContact CB-CB 4.07Å; N283-A286 PolarHBondContact O-N 3.09Å; P284-A286 PolarHBondContact O-N 3.09Å; A286-G288 VanDerWaalsContact C-N 3.27Å; A286-G288 PolarHBondContact O-N 3.25Å; A286-G288 VanDerWaalsContact O-N 3.09Å; A286-F289 PolarHBondContact O-N 3.21Å |
| 287 | K | 89.4 | Confident | 81.7 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 58% | 0.578 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -50 | -41.5 | -172.8 | -174.6 | 178.5 | 177.2 | -178.8 | 0 | 114 | P284 F289 R290 | P284-K287 WeakPolarHBondContact O-CB 3.38Å; P284-K287 PolarHBondContact O-N 3.47Å; K287-F289 PolarHBondContact O-N 3.2Å; K287-R290 WeakPolarHBondContact O-CB 3.27Å; K287-R290 WeakPolarHBondContact O-CG 3.25Å; K287-R290 PolarHBondContact O-N 2.66Å; K287-R290 VanDerWaalsContact O-N 3.09Å |
| 288 | G | 91.1 | Very high | 79.9 | Confident | 52 Ų | 52 | 87.5 Ų | 87.5 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -62 | -14.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A286 T292 | A286-G288 VanDerWaalsContact C-N 3.27Å; A286-G288 PolarHBondContact O-N 3.25Å; A286-G288 VanDerWaalsContact O-N 3.09Å; G288-T292 PolarHBondContact O-OG1 3.2Å |
| 289 | F | 89.8 | Confident | 78.1 | Confident | 140 Ų | 140 | 93 Ų | 93 | 61% | 0.614 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -85.4 | -21.7 | 176.1 | -66.5 | -76.8 | 0 | 0 | 0 | 113.7 | I280 A286 K287 G293 | I280-F289 HydrophobicContact CD1-CB 4.07Å; I280-F289 HydrophobicContact CG1-CB 4.07Å; I280-F289 HydrophobicContact CG2-CB 3.97Å; A286-F289 PolarHBondContact O-N 3.21Å; K287-F289 PolarHBondContact O-N 3.2Å; F289-G293 PolarHBondContact O-N 3.05Å |
| 290 | R | 88.9 | Confident | 76.3 | Confident | 91 Ų | 91 | 102.6 Ų | 102.6 | 34% | 0.343 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -58.6 | -178.5 | -63.3 | 172 | -163.8 | -156.8 | 1.6 | 111.2 | I280 D281 N283 K287 T292 | I280-R290 HydrophobicContact CG2-CB 4.35Å; I280-R290 HydrophobicContact CG2-CG 3.53Å; I280-R290 PolarHBondContact O-NE 2.95Å; I280-R290 PolarHBondContact O-NH2 2.89Å; D281-R290 VanDerWaalsContact C-CZ 3.49Å; D281-R290 PolarHBondContact O-NH1 2.85Å; D281-R290 PolarHBondContact O-NH2 2.93Å; N283-R290 PolarHBondContact O-NH2 2.75Å; K287-R290 WeakPolarHBondContact O-CB 3.27Å; K287-R290 WeakPolarHBondContact O-CG 3.25Å; K287-R290 PolarHBondContact O-N 2.66Å; K287-R290 VanDerWaalsContact O-N 3.09Å; R290-T292 VanDerWaalsContact C-N 3.35Å; R290-T292 PolarHBondContact O-N 2.86Å |
| 291 | D | 69.4 | Low | 74.6 | Confident | 129 Ų | 129 | 106.1 Ų | 106.1 | 69% | 0.69 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.4 | -171.2 | -44.1 | -53.6 | 0 | 0 | 0 | 112.5 | ||
| 292 | T | 59.8 | Low | 73 | Confident | 68 Ų | 68 | 108 Ų | 108 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -88.2 | -25.3 | -174.5 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | G288 R290 N294 R296 | G288-T292 PolarHBondContact O-OG1 3.2Å; R290-T292 VanDerWaalsContact C-N 3.35Å; R290-T292 PolarHBondContact O-N 2.86Å; T292-N294 PolarHBondContact O-N 3.15Å; T292-R296 HydrophobicContact CG2-CB 4.1Å |
| 293 | G | 57.3 | Low | 71.3 | Confident | 48 Ų | 48 | 109 Ų | 109 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55.1 | -44 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F289 | F289-G293 PolarHBondContact O-N 3.05Å |
| 294 | N | 56.5 | Low | 70.1 | Confident | 139 Ų | 139 | 110.6 Ų | 110.6 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -100.7 | -49.3 | -173.7 | -65.2 | 44.2 | 0 | 0 | 0 | 111.9 | T292 R296 E298 | T292-N294 PolarHBondContact O-N 3.15Å; N294-R296 PolarHBondContact O-N 3.07Å; N294-E298 WeakPolarHBondContact O-CB 3.47Å; N294-E298 PolarHBondContact O-N 2.88Å |
| 295 | G | 54.4 | Low | 68.8 | Low | 50 Ų | 50 | 111 Ų | 111 | 52% | 0.515 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K299 | G295-K299 WeakPolarHBondContact O-CB 3.31Å; G295-K299 PolarHBondContact O-N 2.83Å; G295-K299 VanDerWaalsContact O-N 3.15Å |
| 296 | R | 55 | Low | 67.5 | Low | 201 Ų | 201 | 107.8 Ų | 107.8 | 76% | 0.758 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.1 | -32.6 | -170.4 | -158.5 | 175.9 | -173.4 | -169.8 | 2.5 | 113.6 | T292 N294 R300 | T292-R296 HydrophobicContact CG2-CB 4.1Å; N294-R296 PolarHBondContact O-N 3.07Å; R296-R300 PolarHBondContact O-N 3.42Å |
| 297 | R | 56 | Low | 66.2 | Low | 187 Ų | 187 | 110.1 Ų | 110.1 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.4 | -41.9 | 174.5 | -169.4 | 176.4 | -173.1 | 179.7 | 1.6 | 110.8 | R300 K301 | R297-R300 PolarHBondContact O-N 3.33Å; R297-K301 PolarHBondContact O-N 3.06Å; R297-K301 VanDerWaalsContact O-N 3.09Å |
| 298 | E | 59.3 | Low | 65 | Low | 76 Ų | 76 | 110 Ų | 110 | 36% | 0.355 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.2 | -38.3 | -178.1 | -146.5 | 55.8 | -138.2 | 0 | 0 | 111.8 | N294 R300 K301 Q302 | N294-E298 WeakPolarHBondContact O-CB 3.47Å; N294-E298 PolarHBondContact O-N 2.88Å; E298-R300 VanDerWaalsContact C-N 3.25Å; E298-R300 PolarHBondContact O-N 3.33Å; E298-K301 PolarHBondContact O-N 3.41Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-K301 VanDerWaalsContact OE1-CD 3.23Å; E298-K301 WeakPolarHBondContact OE1-CD 3.45Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 WeakPolarHBondContact OE2-CD 3.33Å; E298-K301 IonicContact OE2-NZ 2.66Å; E298-K301 PolarHBondContact OE2-NZ 3.15Å; E298-Q302 WeakPolarHBondContact O-CB 3.35Å; E298-Q302 WeakPolarHBondContact O-CG 3.44Å; E298-Q302 PolarHBondContact O-N 3.28Å |
| 299 | K | 56.7 | Low | 63.9 | Low | 138 Ų | 138 | 116.1 Ų | 116.1 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.8 | -34.5 | 170.8 | -171.2 | 167.3 | -175.5 | 171.8 | 0 | 112.9 | G295 L303 | G295-K299 WeakPolarHBondContact O-CB 3.31Å; G295-K299 PolarHBondContact O-N 2.83Å; G295-K299 VanDerWaalsContact O-N 3.15Å; K299-L303 HydrophobicContact CG-CD1 4.08Å; K299-L303 HydrophobicContact CG-CG 4.48Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 WeakPolarHBondContact O-CD1 3.46Å; K299-L303 VanDerWaalsContact O-CG 3.24Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 3.09Å |
| 300 | R | 59.7 | Low | 62.4 | Low | 209 Ų | 209 | 112.4 Ų | 112.4 | 79% | 0.789 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.1 | -38 | 175.8 | -161.7 | 178.6 | -168.1 | -175.9 | 4.2 | 112.3 | R296 R297 E298 A304 | R296-R300 PolarHBondContact O-N 3.42Å; R297-R300 PolarHBondContact O-N 3.33Å; E298-R300 VanDerWaalsContact C-N 3.25Å; E298-R300 PolarHBondContact O-N 3.33Å; R300-A304 WeakPolarHBondContact O-CB 3.42Å; R300-A304 PolarHBondContact O-N 2.91Å; R300-A304 VanDerWaalsContact O-N 3.12Å |
| 301 | K | 60 | Low | 60.9 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 43% | 0.426 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.4 | -44.1 | 172.9 | -74.1 | 172.7 | 173.3 | 176.5 | 0 | 112.5 | R297 E298 L303 A304 L305 | R297-K301 PolarHBondContact O-N 3.06Å; R297-K301 VanDerWaalsContact O-N 3.09Å; E298-K301 PolarHBondContact O-N 3.41Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-K301 VanDerWaalsContact OE1-CD 3.23Å; E298-K301 WeakPolarHBondContact OE1-CD 3.45Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 WeakPolarHBondContact OE2-CD 3.33Å; E298-K301 IonicContact OE2-NZ 2.66Å; E298-K301 PolarHBondContact OE2-NZ 3.15Å; K301-L303 VanDerWaalsContact C-N 3.35Å; K301-L303 PolarHBondContact O-N 2.79Å; K301-A304 WeakPolarHBondContact O-CB 3.49Å; K301-A304 PolarHBondContact O-N 3.13Å; K301-A304 VanDerWaalsContact O-N 3.14Å; K301-L305 WeakPolarHBondContact O-CG 3.36Å; K301-L305 PolarHBondContact O-N 3.25Å |
| 302 | Q | 60.5 | Low | 60.5 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -41.7 | 178.7 | -74.2 | 176.4 | -10.4 | 0 | 0 | 111.3 | E298 A304 L305 Q306 | E298-Q302 WeakPolarHBondContact O-CB 3.35Å; E298-Q302 WeakPolarHBondContact O-CG 3.44Å; E298-Q302 PolarHBondContact O-N 3.28Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; Q302-L305 PolarHBondContact O-N 3.13Å; Q302-Q306 WeakPolarHBondContact O-CB 3.23Å; Q302-Q306 WeakPolarHBondContact O-CG 3.49Å; Q302-Q306 PolarHBondContact O-N 3.18Å |
| 303 | L | 60.8 | Low | 60.4 | Low | 95 Ų | 95 | 119.9 Ų | 119.9 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -36.1 | 172.7 | -73 | 170.2 | 0 | 0 | 0 | 112.5 | K299 K301 S307 | K299-L303 HydrophobicContact CG-CD1 4.08Å; K299-L303 HydrophobicContact CG-CG 4.48Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 WeakPolarHBondContact O-CD1 3.46Å; K299-L303 VanDerWaalsContact O-CG 3.24Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 3.09Å; K301-L303 VanDerWaalsContact C-N 3.35Å; K301-L303 PolarHBondContact O-N 2.79Å; L303-S307 VanDerWaalsContact O-CB 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.41Å; L303-S307 PolarHBondContact O-N 3.14Å |
| 304 | A | 69.1 | Low | 60.4 | Low | 56 Ų | 56 | 124 Ų | 124 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.7 | -44.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | R300 K301 Q302 S307 M308 | R300-A304 WeakPolarHBondContact O-CB 3.42Å; R300-A304 PolarHBondContact O-N 2.91Å; R300-A304 VanDerWaalsContact O-N 3.12Å; K301-A304 WeakPolarHBondContact O-CB 3.49Å; K301-A304 PolarHBondContact O-N 3.13Å; K301-A304 VanDerWaalsContact O-N 3.14Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; A304-S307 WeakPolarHBondContact O-CB 3.41Å; A304-S307 PolarHBondContact O-N 3.5Å; A304-M308 WeakPolarHBondContact O-CG 3.46Å; A304-M308 PolarHBondContact O-N 3.48Å |
| 305 | L | 65.6 | Low | 60.3 | Low | 106 Ų | 106 | 123.6 Ų | 123.6 | 56% | 0.555 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -34 | 177.6 | -70.4 | 170.9 | 0 | 0 | 0 | 112.6 | K301 Q302 R309 | K301-L305 WeakPolarHBondContact O-CG 3.36Å; K301-L305 PolarHBondContact O-N 3.25Å; Q302-L305 PolarHBondContact O-N 3.13Å; L305-R309 WeakPolarHBondContact O-CG 3.39Å; L305-R309 PolarHBondContact O-N 3.04Å |
| 306 | Q | 65.6 | Low | 60.3 | Low | 120 Ų | 120 | 129.8 Ų | 129.8 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.2 | -46.9 | 168 | -78.7 | -178.8 | -29.1 | 0 | 0 | 110.8 | Q302 M308 R309 S310 | Q302-Q306 WeakPolarHBondContact O-CB 3.23Å; Q302-Q306 WeakPolarHBondContact O-CG 3.49Å; Q302-Q306 PolarHBondContact O-N 3.18Å; Q306-M308 VanDerWaalsContact C-N 3.27Å; Q306-M308 PolarHBondContact O-N 2.82Å; Q306-R309 PolarHBondContact O-N 2.82Å; Q306-R309 VanDerWaalsContact O-N 3.14Å; Q306-S310 PolarHBondContact O-N 3.48Å; Q306-S310 PolarHBondContact O-OG 3.12Å |
| 307 | S | 66.3 | Low | 60.3 | Low | 64 Ų | 64 | 129 Ų | 129 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59 | -36.1 | 177.4 | -169 | 0 | 0 | 0 | 0 | 113 | L303 A304 Y311 | L303-S307 VanDerWaalsContact O-CB 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.41Å; L303-S307 PolarHBondContact O-N 3.14Å; A304-S307 WeakPolarHBondContact O-CB 3.41Å; A304-S307 PolarHBondContact O-N 3.5Å; S307-Y311 WeakPolarHBondContact O-CD2 3.49Å; S307-Y311 PolarHBondContact O-N 3.39Å |
| 308 | M | 63.6 | Low | 59.9 | Low | 132 Ų | 132 | 128.1 Ų | 128.1 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65 | -49 | 173.5 | -70.1 | -60.7 | -61.6 | 0 | 0 | 111.6 | A304 Q306 S310 Y311 E312 | A304-M308 WeakPolarHBondContact O-CG 3.46Å; A304-M308 PolarHBondContact O-N 3.48Å; Q306-M308 VanDerWaalsContact C-N 3.27Å; Q306-M308 PolarHBondContact O-N 2.82Å; M308-S310 VanDerWaalsContact C-N 3.3Å; M308-S310 PolarHBondContact O-N 3.12Å; M308-Y311 PolarHBondContact O-N 3.35Å; M308-E312 PolarHBondContact O-N 3.41Å; M308-E312 VanDerWaalsContact O-N 3.08Å |
| 309 | R | 68.6 | Low | 59.6 | Low | 180 Ų | 180 | 131.9 Ų | 131.9 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.3 | -37.1 | 177.8 | -69.8 | 179.1 | -173.5 | -173.6 | 1.4 | 112.5 | L305 Q306 Y311 E312 E313 | L305-R309 WeakPolarHBondContact O-CG 3.39Å; L305-R309 PolarHBondContact O-N 3.04Å; Q306-R309 PolarHBondContact O-N 2.82Å; Q306-R309 VanDerWaalsContact O-N 3.14Å; R309-Y311 VanDerWaalsContact C-N 3.35Å; R309-Y311 PolarHBondContact O-N 3.14Å; R309-E312 PolarHBondContact O-N 2.93Å; R309-E313 WeakPolarHBondContact O-CB 3.49Å; R309-E313 PolarHBondContact O-N 3.37Å |
| 310 | S | 57.6 | Low | 59.3 | Low | 62 Ų | 62 | 128.2 Ų | 128.2 | 43% | 0.434 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.8 | -36 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 113 | Q306 M308 Q314 | Q306-S310 PolarHBondContact O-N 3.48Å; Q306-S310 PolarHBondContact O-OG 3.12Å; M308-S310 VanDerWaalsContact C-N 3.3Å; M308-S310 PolarHBondContact O-N 3.12Å; S310-Q314 WeakPolarHBondContact O-CG 3.38Å; S310-Q314 PolarHBondContact O-N 3.35Å; S310-Q314 VanDerWaalsContact O-N 3.13Å |
| 311 | Y | 58.3 | Low | 58.8 | Low | 158 Ų | 158 | 123 Ų | 123 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.2 | -42.1 | 173.4 | -100.3 | -97.3 | 0 | 0 | 0 | 112 | S307 M308 R309 Q314 Q315 | S307-Y311 WeakPolarHBondContact O-CD2 3.49Å; S307-Y311 PolarHBondContact O-N 3.39Å; M308-Y311 PolarHBondContact O-N 3.35Å; R309-Y311 VanDerWaalsContact C-N 3.35Å; R309-Y311 PolarHBondContact O-N 3.14Å; Y311-Q314 PolarHBondContact O-N 3.22Å; Y311-Q315 PolarHBondContact O-N 2.92Å |
| 312 | E | 60.9 | Low | 57.8 | Low | 139 Ų | 139 | 124.4 Ų | 124.4 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65 | -39.9 | 178.8 | -164.9 | 169 | -138.7 | 0 | 0 | 111.9 | M308 R309 K316 | M308-E312 PolarHBondContact O-N 3.41Å; M308-E312 VanDerWaalsContact O-N 3.08Å; R309-E312 PolarHBondContact O-N 2.93Å; E312-K316 PolarHBondContact O-N 3.3Å; E312-K316 VanDerWaalsContact O-N 3.17Å |
| 313 | E | 57.1 | Low | 56.8 | Low | 147 Ų | 147 | 127 Ų | 127 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.9 | -30.7 | 174.9 | -170.6 | 169.3 | -146.8 | 0 | 0 | 112.9 | R309 | R309-E313 WeakPolarHBondContact O-CB 3.49Å; R309-E313 PolarHBondContact O-N 3.37Å |
| 314 | Q | 56.9 | Low | 55.7 | Low | 134 Ų | 134 | 129.2 Ų | 129.2 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.2 | -46.3 | 172.5 | -77.6 | -175.6 | -64.1 | 0 | 0 | 112.3 | S310 Y311 K316 K317 E318 | S310-Q314 WeakPolarHBondContact O-CG 3.38Å; S310-Q314 PolarHBondContact O-N 3.35Å; S310-Q314 VanDerWaalsContact O-N 3.13Å; Y311-Q314 PolarHBondContact O-N 3.22Å; Q314-K316 VanDerWaalsContact C-N 3.29Å; Q314-K316 PolarHBondContact O-N 3.43Å; Q314-K317 PolarHBondContact O-N 3.14Å; Q314-E318 PolarHBondContact O-N 3.19Å |
| 315 | Q | 54.9 | Low | 54.2 | Low | 131 Ų | 131 | 131.2 Ų | 131.2 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -60.4 | -38.2 | 177.6 | -73.7 | -174.6 | -13.2 | 0 | 0 | 112.4 | Y311 K317 E318 | Y311-Q315 PolarHBondContact O-N 2.92Å; Q315-K317 PolarHBondContact O-N 3.15Å; Q315-E318 PolarHBondContact O-N 2.9Å |
| 316 | K | 54 | Low | 53.1 | Low | 181 Ų | 181 | 131.8 Ų | 131.8 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.8 | -14.4 | 176.7 | -166 | 167 | -177 | 176.2 | 0 | 113.8 | E312 Q314 | E312-K316 PolarHBondContact O-N 3.3Å; E312-K316 VanDerWaalsContact O-N 3.17Å; Q314-K316 VanDerWaalsContact C-N 3.29Å; Q314-K316 PolarHBondContact O-N 3.43Å |
| 317 | K | 54.2 | Low | 51.5 | Low | 185 Ų | 185 | 129.8 Ų | 129.8 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -97.1 | -14.1 | 179.9 | -158.7 | 170.1 | -175.7 | 176.8 | 0 | 113.9 | Q314 Q315 | Q314-K317 PolarHBondContact O-N 3.14Å; Q315-K317 PolarHBondContact O-N 3.15Å |
| 318 | E | 48.8 | Very low | 50 | Low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -88.3 | -38.3 | 177.9 | -162.1 | 160.6 | -139.2 | 0 | 0 | 111.7 | Q314 Q315 G320 | Q314-E318 PolarHBondContact O-N 3.19Å; Q315-E318 PolarHBondContact O-N 2.9Å; E318-G320 PolarHBondContact O-N 3.06Å |
| 319 | N | 52.4 | Low | 48.7 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -79.6 | 38.9 | 177.7 | -66.9 | -4.1 | 0 | 0 | 0 | 113.6 | ||
| 320 | G | 51.4 | Low | 46.9 | Very low | 61 Ų | 61 | 132.8 Ų | 132.8 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | -126.5 | 6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | E318 | E318-G320 PolarHBondContact O-N 3.06Š| ||
| 321 | A | 49 | Very low | 45.7 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -159 | 80.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 322 | S | 37.8 | Very low | 44.3 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -166.1 | 128 | 148.6 | 59 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 323 | D | 40.7 | Very low | 43.1 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -139.8 | 157.3 | 175.2 | -164.5 | 8.9 | 0 | 0 | 0 | 109.4 | ||||
| 324 | D | 37.6 | Very low | 41.6 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 59.7 | 125.3 | -171.8 | -156.2 | 60.4 | 0 | 0 | 0 | 115 | ||||
| 325 | S | 37.8 | Very low | 40.3 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | -162.9 | 179.2 | 54.3 | -148.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 326 | S | 41.2 | Very low | 39.2 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -82.7 | 153.8 | -166.2 | 61.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 327 | G | 31.9 | Very low | 38.2 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -171.6 | 142.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 328 | E | 35.7 | Very low | 37.2 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -96.4 | 160.2 | -175 | -78.4 | -164 | 80.9 | 0 | 0 | 115.3 | ||||
| 329 | Q | 35.7 | Very low | 36.5 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 23.1 | 122.8 | 149 | -58.2 | -178.5 | 61.1 | 0 | 0 | 120.3 | ||||
| 330 | A | 31.9 | Very low | 35.7 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | -167.9 | 154.6 | 119.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 331 | S | 31.1 | Very low | 35.7 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 156.7 | 168 | -178 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 332 | F | 30.3 | Very low | 35.1 | Very low | 207 Ų | 207 | 129.6 Ų | 129.6 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | -172 | 162.6 | 118.8 | -91.6 | -57.8 | 0 | 0 | 0 | 112.1 | |||||
| 333 | K | 33.7 | Very low | 34.8 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -119 | 156.3 | 179.3 | -62.6 | 176.9 | 178.1 | 176.6 | 0 | 110.6 | ||||
| 334 | C | 27.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | 139.1 | 127.1 | 123.5 | -80.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 335 | F | 29.7 | Very low | 34 | Very low | 193 Ų | 193 | 126 Ų | 126 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 67.7 | 140.6 | 138.4 | -83.4 | -104 | 0 | 0 | 0 | 122.7 | ||||
| 336 | G | 30.2 | Very low | 33.7 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 159.5 | 73.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 337 | Q | 33.7 | Very low | 33.1 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -128.8 | 129.6 | -166.6 | -170.4 | -175.5 | 11.2 | 0 | 0 | 113.6 | ||||
| 338 | A | 32.8 | Very low | 33.7 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -164.8 | 106.3 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 339 | S | 33.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 66.8 | 135.2 | 82.2 | 72.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 340 | S | 36 | Very low | 34.2 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | 177.6 | -179.6 | -1 | -98.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 341 | P | 52.4 | Low | 34.4 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -134 | 170.5 | -22.5 | 35.5 | -16.4 | 0 | 0 | 0 | 115.9 | ||||
| 342 | A | 35.1 | Very low | 34.4 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 35.1 | 132.8 | 145 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 343 | V | 33 | Very low | 34.1 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | 169.5 | 147.7 | 118.3 | 146.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 344 | S | 29 | Very low | 33.8 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | 179.8 | 151.8 | -23.9 | -171.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 345 | T | 31.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -170.6 | 133.5 | -23.5 | -76.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 346 | V | 31.8 | Very low | 33.7 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 66.2 | 141.7 | 167.5 | 172.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 347 | G | 28.3 | Very low | 33.9 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | cis | 143.9 | -177.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 348 | P | 45.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | cis | -121.2 | -138.7 | -25.8 | 44.2 | -26.3 | 0 | 0 | 0 | 109.1 | ||||
| 349 | P | 52.3 | Low | 33.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -127.1 | -176.3 | -31.2 | 40.6 | -25.1 | 0 | 0 | 0 | 113.8 | ||||
| 350 | H | 29.8 | Very low | 33.9 | Very low | 166 Ų | 166 | 132 Ų | 132 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -152.6 | 122 | 160.6 | -173.3 | -105.5 | 0 | 0 | 0 | 114.5 | ||||
| 351 | L | 35.7 | Very low | 33.8 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 50.6 | 116.8 | 149.6 | -162.8 | 146 | 0 | 0 | 0 | 121.9 | ||||
| 352 | K | 31.2 | Very low | 32.8 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | -173.2 | 137.2 | 128.5 | -113.4 | -170.5 | -179.6 | -172.3 | 0 | 112.1 | |||||
| 353 | D | 23.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | 170.9 | -176.8 | 118.7 | -86.3 | -21.8 | 0 | 0 | 0 | 111.9 | |||||
| 354 | F | 28.3 | Very low | 33.2 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -116.8 | 170.7 | -155.7 | -89.2 | -101 | 0 | 0 | 0 | 114.8 | ||||
| 355 | C | 27.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | 70.1 | 159.3 | 167.3 | -60.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 356 | D | 28 | Very low | 33.8 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | cis | -175.1 | 168.7 | -27.1 | -85.3 | -22.6 | 0 | 0 | 0 | 104.4 | ||||
| 357 | S | 33.9 | Very low | 34 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | cis | -168.3 | 178 | -3.6 | -114.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 358 | E | 34.1 | Very low | 34.1 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | cis | -163.1 | -168.4 | -18.1 | 51.4 | -144 | 132.9 | 0 | 0 | 108.7 | ||||
| 359 | E | 33 | Very low | 33.5 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | 66.6 | 153.8 | -178.3 | -60.1 | 177.5 | 133.5 | 0 | 0 | 115.6 | ||||
| 360 | D | 33 | Very low | 32.7 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | cis | -145.5 | 170.3 | 13.6 | -163.2 | 8.4 | 0 | 0 | 0 | 112.8 | ||||
| 361 | S | 33.4 | Very low | 32.9 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -48.5 | 169.1 | 177.3 | -86.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 362 | D | 32 | Very low | 32.7 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | cis | -160.3 | 156.8 | -8 | -113.3 | -44.9 | 0 | 0 | 0 | 109.4 | ||||
| 363 | D | 35.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -149.1 | 98.3 | 169.3 | -171.3 | -10.8 | 0 | 0 | 0 | 112.2 | ||||
| 364 | E | 39.3 | Very low | 33.8 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -159.6 | 143.4 | 148.6 | -131.6 | -160.6 | 116.5 | 0 | 0 | 112.6 | ||||
| 365 | S | 34.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | -175 | 155.9 | 126.7 | 38.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 366 | K | 39 | Very low | 34.1 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -148.9 | 153.2 | -154.3 | 168.3 | -177 | 168.9 | -170.3 | 0 | 111.4 | ||||
| 367 | D | 35.3 | Very low | 34.3 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 30.7 | 118 | 164.1 | -60.6 | -38.2 | 0 | 0 | 0 | 119.4 | ||||
| 368 | G | 31.8 | Very low | 34.2 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -176.3 | 104.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 369 | N | 33.7 | Very low | 34.1 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -131.1 | 112.8 | 169.9 | 159.3 | 61.2 | 0 | 0 | 0 | 110.9 | ||||
| 370 | H | 33.8 | Very low | 34 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.676 | 77% | 0.77 | S | S | * | * | 176.6 | 142.7 | 127.2 | -101.1 | -56.6 | 0 | 0 | 0 | 112.1 | |||||
| 371 | K | 34.6 | Very low | 33.9 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | 47.5 | 141.8 | 140.1 | -71.9 | -177.3 | 177.1 | -173.1 | 0 | 120 | ||||
| 372 | D | 32.4 | Very low | 34.1 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | cis | -138 | -174.7 | 26.2 | -89.9 | -53.6 | 0 | 0 | 0 | 112.9 | ||||
| 373 | G | 29.3 | Very low | 34.3 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -89.4 | -157.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 374 | P | 47.3 | Very low | 34.2 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | cis | -138.4 | -160.1 | 14.1 | 44.6 | -26.2 | 0 | 0 | 0 | 115.3 | ||||
| 375 | D | 28.7 | Very low | 34 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 85.1 | 172.5 | 162.2 | -131.3 | -28.7 | 0 | 0 | 0 | 118.8 | ||||
| 376 | S | 33.1 | Very low | 34 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | -142.8 | 150.1 | -129 | 64.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 377 | S | 32.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -157.9 | 147.8 | 143.6 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 378 | K | 32.7 | Very low | 33.9 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -109.2 | 150.3 | -177.6 | -53.4 | 168.7 | -176.2 | 172 | 0 | 109.9 | ||||
| 379 | I | 31.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -137 | 139.2 | 134.2 | -47.5 | 178.6 | 0 | 0 | 0 | 107.3 | ||||
| 380 | S | 29.8 | Very low | 34.2 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -132.4 | 135.7 | -179.1 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 381 | T | 31.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | 31.5 | 114 | 126 | -19.6 | 0 | 0 | 0 | 0 | 119 | |||||
| 382 | T | 37.5 | Very low | 34.3 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 64.2 | 147.6 | 141.1 | 53.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 383 | T | 37.1 | Very low | 35.5 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -80.6 | 145.5 | 173.8 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 384 | G | 32.7 | Very low | 35.6 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 152.8 | 121.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 385 | D | 36.2 | Very low | 35 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -65 | 160.1 | 160.4 | -67.8 | -81.1 | 0 | 0 | 0 | 111.5 | ||||
| 386 | G | 33.9 | Very low | 35 | Very low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 151 | 133.3 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 387 | K | 36.6 | Very low | 35.1 | Very low | 179 Ų | 179 | 133 Ų | 133 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | 67.5 | 149.7 | 171.4 | -62.4 | -171.9 | 145.9 | -66.2 | 0 | 117.2 | ||||
| 388 | D | 35.2 | Very low | 36 | Very low | 107 Ų | 107 | 131 Ų | 131 | 57% | 0.572 | 77% | 0.77 | S | S | * | * | cis | -158.8 | 154.1 | -12.7 | -98.7 | -17.7 | 0 | 0 | 0 | 109.4 | ||||
| 389 | H | 37.8 | Very low | 36 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 35.7 | 112.2 | 159.1 | -69.9 | -84.3 | 0 | 0 | 0 | 120.5 | ||||
| 390 | E | 34.1 | Very low | 36 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 117 | 172.4 | 62.1 | -123.4 | -170.1 | 117.8 | 0 | 0 | 109.9 | |||||
| 391 | A | 30.7 | Very low | 36 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 56% | 0.562 | 77% | 0.769 | S | S | * | * | cis | -157.8 | 168.2 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 392 | S | 39 | Very low | 36 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 73.8 | 154.3 | 150.8 | -79.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 393 | P | 57.5 | Low | 35.7 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -139.8 | 178.8 | -136.1 | 44.1 | -26.6 | 0 | 0 | 0 | 118.6 | ||||
| 394 | A | 31 | Very low | 35.6 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -149 | 161.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 395 | K | 36 | Very low | 35.5 | Very low | 214 Ų | 214 | 129.9 Ų | 129.9 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -82.3 | 166.8 | -170.4 | -54.6 | 160.1 | -176.3 | 173.6 | 0 | 113 | ||||
| 396 | G | 28.5 | Very low | 35.2 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | 148.7 | 160.6 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 397 | H | 33.9 | Very low | 35 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | 76.6 | 155.5 | 163.4 | -92.3 | -112.9 | 0 | 0 | 0 | 120.7 | ||||
| 398 | P | 52.5 | Low | 35 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 54% | 0.539 | 77% | 0.774 | S | S | . | * | -149.9 | -164.3 | -129.2 | 46.9 | -25.4 | 0 | 0 | 0 | 117.1 | |||||
| 399 | F | 33.8 | Very low | 34.9 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 50.7 | 155.4 | 153.9 | -61.3 | -55.3 | 0 | 0 | 0 | 119.6 | ||||
| 400 | S | 29.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | cis | -161 | -176.3 | 30.7 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 401 | S | 29.4 | Very low | 34.4 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -56.9 | -175 | 169.8 | -31.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 402 | S | 33 | Very low | 34.6 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | -177.3 | 170.3 | 6.4 | 27 | 0 | 0 | 0 | 0 | 108 | ||||
| 403 | D | 30.6 | Very low | 34.2 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | cis | -177.9 | 178.6 | -26.4 | -178.6 | 38.2 | 0 | 0 | 0 | 109 | ||||
| 404 | S | 34.5 | Very low | 33.1 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | 88.2 | 121.3 | 154.4 | 77.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 405 | T | 31.8 | Very low | 33.1 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | 42.2 | 126.2 | 141.3 | 59.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 406 | G | 29.8 | Very low | 33 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | 134.1 | 143.6 | 103.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 407 | R | 30.1 | Very low | 33.2 | Very low | 259 Ų | 259 | 140 Ų | 140 | 98% | 0.977 | 75% | 0.752 | S | S | * | * | trans | 90.3 | 155.3 | 152.2 | -118.2 | 174.7 | -174.2 | -169.2 | 1.2 | 121.5 | ||||
| 408 | R | 35.1 | Very low | 33.1 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | -93.9 | 171.6 | -171.7 | -65.3 | 170.2 | 153.4 | -168.1 | -4.4 | 113 | ||||
| 409 | T | 33.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | 165.6 | 137.5 | 103.3 | -65.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 410 | E | 30.2 | Very low | 33.3 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 61.7 | 166.5 | 163.1 | -79.3 | -170.2 | 157.9 | 0 | 0 | 119.5 | ||||
| 411 | K | 31.6 | Very low | 33.4 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 67% | 0.665 | 75% | 0.751 | S | S | * | * | cis | -150.5 | 171.7 | -0.8 | -135.4 | 176.2 | -175.9 | 81.5 | 0 | 111.9 | ||||
| 412 | S | 34.8 | Very low | 33.6 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | -0.9 | 157.4 | 154.8 | 57.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 413 | Q | 31.9 | Very low | 33.4 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | cis | -158.9 | -167.3 | 21.8 | -146.6 | 161.7 | -52.9 | 0 | 0 | 113.7 | ||||
| 414 | A | 33.7 | Very low | 33.5 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | -68.4 | -177.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 415 | D | 30.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -161.1 | 170.4 | 19.9 | -159.1 | -5.7 | 0 | 0 | 0 | 113.1 | ||||
| 416 | S | 34.5 | Very low | 33.3 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 51% | 0.51 | 75% | 0.747 | S | S | . | * | trans | 36.7 | 137.2 | 138.8 | -78.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 417 | R | 33.5 | Very low | 33.3 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | cis | -178 | 161.6 | 32 | -113.2 | 154.2 | -163.5 | -128.8 | 10.3 | 113.7 | ||||
| 418 | Q | 32.1 | Very low | 33.4 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | 60.2 | 112.5 | 144.3 | -70.5 | 165.9 | -105 | 0 | 0 | 122.8 | ||||
| 419 | S | 37.5 | Very low | 33.2 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -80 | 169.8 | 141.8 | -33.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 420 | P | 51.5 | Low | 32.9 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | -139.8 | -161.1 | 68.3 | 35.5 | -12.3 | 0 | 0 | 0 | 112.3 | |||||
| 421 | I | 31.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | cis | -158.8 | -171.4 | 24.5 | -151.3 | 159.3 | 0 | 0 | 0 | 113.5 | ||||
| 422 | T | 34.5 | Very low | 33.1 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | -69.2 | 175.3 | -176.7 | 44.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 423 | V | 29.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | -168.9 | 128.6 | 58.7 | 172.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 424 | I | 31.9 | Very low | 33 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | 31 | 131.2 | 129.3 | -44.9 | 171.2 | 0 | 0 | 0 | 123.5 | |||||
| 425 | S | 30.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | 81.8 | 156.8 | 145.5 | -78.8 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 426 | S | 32.3 | Very low | 32.7 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -98.5 | 156.2 | -177.8 | 55.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 427 | T | 30.2 | Very low | 33.4 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | trans | -159.3 | -177.1 | 147.3 | 8.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 428 | T | 31.9 | Very low | 33 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -123.1 | 168.6 | -163.9 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 429 | R | 31.2 | Very low | 33 | Very low | 239 Ų | 239 | 131 Ų | 131 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | 73.7 | 162.5 | 173 | -49.8 | 172.9 | 73.8 | -178.5 | 1.2 | 113.8 | ||||
| 430 | S | 26.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -145.7 | 177.9 | 7.4 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 431 | G | 32.8 | Very low | 31.6 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 139.1 | 99.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 432 | E | 32.6 | Very low | 31.5 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | cis | 64.8 | 120.7 | 33.5 | -80.1 | 163 | 175.9 | 0 | 0 | 111.3 | ||||
| 433 | E | 30.7 | Very low | 31.3 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | cis | -147.7 | 166.4 | 17.9 | -100.6 | -174.8 | 116.6 | 0 | 0 | 114.6 | ||||
| 434 | L | 34 | Very low | 31.3 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 31.7 | 155.2 | 138.1 | -56.8 | 179.7 | 0 | 0 | 0 | 123.1 | ||||
| 435 | K | 27.2 | Very low | 31.1 | Very low | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | cis | -177.5 | 108.2 | -16.4 | 166.5 | 172.6 | 164.8 | -172.8 | 0 | 112 | ||||
| 436 | S | 29.7 | Very low | 31 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | 61.3 | -170.8 | 149.8 | 76 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 437 | P | 49.8 | Very low | 30.7 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | -134.4 | -173 | -61.8 | 33.7 | -14.2 | 0 | 0 | 0 | 114.9 | |||||
| 438 | S | 25.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | 100.6 | 142.3 | 134.5 | 81 | 0 | 0 | 0 | 0 | 121 | ||||
| 439 | L | 33 | Very low | 30.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | 62.8 | 149.2 | 154.6 | -62 | 157.9 | 0 | 0 | 0 | 118.9 | ||||
| 440 | D | 28.3 | Very low | 30 | Very low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | cis | -170.1 | 169.3 | -30.1 | -161.7 | 7 | 0 | 0 | 0 | 108.8 | ||||
| 441 | Q | 30.2 | Very low | 29.9 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 64.6 | 158.2 | 157.1 | -75.6 | 162.1 | 62 | 0 | 0 | 118.2 | ||||
| 442 | S | 29.4 | Very low | 29.7 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | cis | -166.6 | 169.4 | -19.4 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 443 | K | 31.1 | Very low | 29.5 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 70.1 | 159.1 | 161 | -61.6 | 173.1 | -176.1 | 176 | 0 | 117.9 | ||||
| 444 | T | 29.2 | Very low | 29.2 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | cis | -167.1 | 154.5 | -30.4 | -80.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 445 | D | 28.2 | Very low | 29 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -55.3 | 150.1 | 172 | -54.4 | -101.8 | 0 | 0 | 0 | 114.6 | ||||
| 446 | E | 26.3 | Very low | 29.2 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | -165.1 | -174.5 | 107.9 | -133 | -166.2 | 85.5 | 0 | 0 | 111.7 | |||||
| 447 | C | 26.7 | Very low | 30 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -148.6 | 129.9 | -165.7 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 448 | R | 26.5 | Very low | 29.1 | Very low | 234 Ų | 234 | 143.7 Ų | 143.7 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -170.4 | 131.2 | 145.8 | -109.8 | 160 | -174.5 | 179 | 3.6 | 117.7 | ||||
| 449 | S | 25.9 | Very low | 29.6 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -35.7 | 169.4 | 153.4 | 61.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 450 | I | 26.5 | Very low | 29.3 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 104.6 | 112.8 | 151.2 | -64.3 | 159.8 | 0 | 0 | 0 | 118.1 | ||||
| 451 | S | 25.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | -145.7 | 160.8 | 128.8 | 56.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 452 | K | 28.7 | Very low | 29.4 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -158.9 | 134 | -157.3 | 170.2 | -164.8 | 171.1 | -169.5 | 0 | 112.9 | ||||
| 453 | D | 27 | Very low | 29.2 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -179.2 | 158.9 | 156 | -93.5 | -34 | 0 | 0 | 0 | 108.5 | ||||
| 454 | S | 25.7 | Very low | 29.3 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | cis | -158.7 | 179.7 | -28 | -161.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 455 | F | 29.8 | Very low | 29.3 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -95.4 | -172.6 | -174.4 | -47.8 | -84.5 | 0 | 0 | 0 | 113.2 | ||||
| 456 | M | 31.2 | Very low | 29.3 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | cis | -167.6 | -171.8 | 15.7 | -131.2 | -165.7 | 176.8 | 0 | 0 | 107.2 | ||||
| 457 | P | 46.2 | Very low | 29.5 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | cis | -138.7 | 171.9 | -29.7 | 41.4 | -24.9 | 0 | 0 | 0 | 116.5 | ||||
| 458 | L | 31.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 65.9 | 157.9 | 137.4 | -82.2 | 165.9 | 0 | 0 | 0 | 125.5 | ||||
| 459 | T | 35.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -115.1 | 172.9 | -177.1 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 460 | V | 27.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -128.9 | 131.6 | 154.6 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 461 | Q | 28.5 | Very low | 30 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -134.9 | 142.1 | 169.2 | 177.2 | -177.2 | 22.9 | 0 | 0 | 106.4 | ||||
| 462 | T | 31.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -97.8 | 114.3 | -176.7 | -23.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 463 | D | 25 | Very low | 30.4 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 33.9 | 133.6 | 156.9 | -68 | -54.3 | 0 | 0 | 0 | 123.1 | ||||
| 464 | S | 32.2 | Very low | 30.3 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | cis | 78.7 | 144 | 48.2 | -51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 465 | A | 30 | Very low | 30.6 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | cis | -144.6 | 177.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 466 | H | 28.7 | Very low | 30.4 | Very low | 169 Ų | 169 | 129 Ų | 129 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | cis | -171.5 | 133.9 | 40.3 | 49.1 | -69.7 | 0 | 0 | 0 | 108.5 | ||||
| 467 | M | 29.5 | Very low | 30.4 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | 56.1 | 118.2 | 94.9 | -92.5 | -65.2 | 175 | 0 | 0 | 117.7 | |||||
| 468 | G | 27.6 | Very low | 31.1 | Very low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -177.9 | 138.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 469 | H | 31.5 | Very low | 31.5 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.815 | 69% | 0.69 | S | S | * | * | trans | -144.4 | 127.4 | -168.1 | -162.5 | 97.9 | 0 | 0 | 0 | 110.3 | ||||
| 470 | N | 26.4 | Very low | 31.4 | Very low | 163 Ų | 163 | 120.5 Ų | 120.5 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | trans | 168.1 | 166.8 | 147.8 | -89.8 | -20.9 | 0 | 0 | 0 | 113.7 | ||||
| 471 | H | 32.2 | Very low | 31.9 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 57% | 0.574 | 68% | 0.682 | S | S | * | * | trans | -121.7 | 134.8 | -174.9 | -175.6 | -38.8 | 0 | 0 | 0 | 109.4 | ||||
| 472 | L | 30.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 81% | 0.806 | 67% | 0.674 | S | S | * | * | trans | -162.9 | 151.6 | 168.6 | -112 | 176.4 | 0 | 0 | 0 | 111.8 | L66 | L66-L472 WeakPolarHBondContact CD2-O 3.24Š| ||
| 473 | H | 30.9 | Very low | 32.2 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 35% | 0.347 | 68% | 0.68 | S | S | . | * | trans | -95.3 | 169.3 | -178.5 | -89.1 | -124.8 | 0 | 0 | 0 | 113.8 | L66 M67 G68 | L66-H473 HydrophobicContact CB-CB 4.37Å; L66-H473 PolarHBondContact O-CE1 3.2Å; M67-H473 PolarHBondContact O-NE2 3.41Å; G68-H473 WeakPolarHBondContact CA-NE2 3.37Å; G68-H473 PolarHBondContact N-CE1 3.28Å; G68-H473 PolarHBondContact N-NE2 3.48Å; G68-H473 PolarHBondContact O-NE2 3.26Å | ||
| 474 | N | 25.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | 112.1 | 93.8 | 127.4 | -154.3 | 92.9 | 0 | 0 | 0 | 120.1 | |||||
| 475 | F | 31.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 121 Ų | 121 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | trans | 42.8 | 143.8 | 143.5 | -52.5 | -62.6 | 0 | 0 | 0 | 123.6 | Q65 F477 | Q65-F475 WeakPolarHBondContact O-CD1 3.36Å; Q65-F475 WeakPolarHBondContact O-CE1 3.42Å; F475-F477 HydrophobicContact CB-CE2 4.36Å; F475-F477 HydrophobicContact CD1-CE2 4.31Å | ||
| 476 | G | 24.9 | Very low | 33.1 | Very low | 38 Ų | 38 | 125.2 Ų | 125.2 | 39% | 0.392 | 69% | 0.689 | S | S | . | * | trans | -170 | 108.9 | 166 | 0 | 0 | 0 | 0 | 0 | 117.1 | M63 | M63-G476 WeakPolarHBondContact CB-O 3.44Š| ||
| 477 | F | 31 | Very low | 33.2 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 61% | 0.61 | 69% | 0.687 | S | S | * | * | trans | -91.7 | 145 | -161.3 | -74.2 | -144.3 | 0 | 0 | 0 | 115.6 | P61 I62 M63 F475 | P61-F477 HydrophobicContact CB-CB 4.04Å; P61-F477 HydrophobicContact CB-CD1 4.26Å; P61-F477 HydrophobicContact CG-CB 4.21Å; P61-F477 HydrophobicContact CG-CD1 4.35Å; I62-F477 WeakPolarHBondContact O-CD2 3.35Å; I62-F477 VanDerWaalsContact O-CG 3.29Å; I62-F477 WeakPolarHBondContact O-CG 3.14Å; M63-F477 WeakPolarHBondContact O-CE2 3.45Å; F475-F477 HydrophobicContact CB-CE2 4.36Å; F475-F477 HydrophobicContact CD1-CE2 4.31Å | ||
| 478 | P | 61.8 | Low | 33.2 | Very low | 58 Ų | 58 | 121.8 Ų | 121.8 | 38% | 0.377 | 67% | 0.672 | S | S | . | * | trans | -90.5 | -157.2 | -179.9 | 39.4 | -46.4 | 0 | 0 | 0 | 116.7 | P61 I62 | P61-P478 HydrophobicContact CB-CG 3.6Å; P61-P478 WeakPolarHBondContact CB-O 3.49Å; P61-P478 WeakPolarHBondContact CG-O 3.31Å; I62-P478 HydrophobicContact CB-CG 4.1Å; I62-P478 HydrophobicContact CG1-CG 4.26Å; I62-P478 HydrophobicContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact N-CD 3.33Å | ||
| 479 | P | 40.3 | Very low | 33.2 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | -146.6 | 165 | 109.8 | 38.5 | -23.4 | 0 | 0 | 0 | 116.7 | |||||
| 480 | G | 31.9 | Very low | 33.1 | Very low | 56 Ų | 56 | 125.9 Ų | 125.9 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | trans | -160 | 123.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K60 | K60-G480 VanDerWaalsContact CE-O 3.25Å; K60-G480 WeakPolarHBondContact CE-O 3.39Å; K60-G480 PolarHBondContact NZ-O 3.17Å | ||
| 481 | L | 39.3 | Very low | 33.2 | Very low | 168 Ų | 168 | 121.8 Ų | 121.8 | 88% | 0.88 | 67% | 0.671 | S | S | * | * | trans | -30.9 | 120.7 | 179.5 | -52 | 172.1 | 0 | 0 | 0 | 115.5 | ||||
| 482 | T | 34.4 | Very low | 33 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 69% | 0.693 | 68% | 0.684 | S | S | * | * | 36.6 | 114.6 | 56.1 | 51.7 | 0 | 0 | 0 | 0 | 117.4 | K60 | K60-T482 VanDerWaalsContact NZ-CG2 3.33Å; K60-T482 PolarHBondContact NZ-OG1 2.9Å | |||
| 483 | G | 31.3 | Very low | 32.8 | Very low | 85 Ų | 85 | 118.5 Ų | 118.5 | 88% | 0.876 | 68% | 0.681 | S | S | * | * | trans | 165.5 | 110.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 484 | Q | 35.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 123.9 Ų | 123.9 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | -107.5 | 154.9 | -179.2 | -120.1 | -164.5 | 13.2 | 0 | 0 | 112.4 | ||||
| 485 | Q | 37.2 | Very low | 33.6 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | 36.4 | 115.1 | 141.1 | -66.2 | -77 | -34 | 0 | 0 | 120.2 | ||||
| 486 | F | 32.9 | Very low | 33.5 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -158.2 | 142.9 | 164.3 | -86.4 | -81 | 0 | 0 | 0 | 107.4 | ||||
| 487 | F | 32.4 | Very low | 33.6 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | cis | -123 | 155.3 | -5.5 | -81.7 | -104.2 | 0 | 0 | 0 | 107.8 | ||||
| 488 | N | 28.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | cis | 79.8 | 100 | 33 | -172 | 35.6 | 0 | 0 | 0 | 115.7 | ||||
| 489 | H | 27.1 | Very low | 32.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | -173.9 | 163.1 | 117.9 | -111.4 | -83.5 | 0 | 0 | 0 | 115.3 | |||||
| 490 | L | 30.9 | Very low | 32.4 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -91.4 | 153.2 | -175.3 | -149 | 76.8 | 0 | 0 | 0 | 112.7 | ||||
| 491 | G | 27.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -173.2 | 61.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 492 | S | 28 | Very low | 32 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 33.8 | 142.4 | 148.3 | -148 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 493 | A | 27 | Very low | 32 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 73.6 | 131.6 | 147 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 494 | H | 29.8 | Very low | 31.9 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -70.7 | 153 | 150.5 | -69.3 | -82.8 | 0 | 0 | 0 | 109.9 | ||||
| 495 | P | 42.8 | Very low | 31.8 | Very low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | -140.4 | 155.1 | 103 | 38.2 | -27.2 | 0 | 0 | 0 | 116 | |||||
| 496 | F | 29.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 0.3 | 147.4 | 148.3 | -75.6 | -83.4 | 0 | 0 | 0 | 122.9 | ||||
| 497 | L | 29 | Very low | 31.1 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 97.4 | 147.1 | 135.6 | -83.9 | 163.4 | 0 | 0 | 0 | 121.8 | ||||
| 498 | L | 31.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | 77.2 | 99.3 | 163.1 | -67.3 | 164.7 | 0 | 0 | 0 | 120.5 | ||||
| 499 | H | 29.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 62% | 0.616 | 80% | 0.797 | S | S | * | * | 16.6 | 154.1 | 125.7 | -98.1 | -119.9 | 0 | 0 | 0 | 122.8 | M30 | M30-H499 PolarHBondContact SD-CE1 3.33Å; M30-H499 PolarHBondContact SD-NE2 3.08Å; M30-H499 VanDerWaalsContact SD-NE2 3.45Å | |||
| 500 | P | 46.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 154.1 | 179.5 | 34.8 | -36.7 | 0 | 0 | 0 | 113.1 | ||||
| 501 | G | 25.6 | Very low | 31.5 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -161.8 | 132.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 502 | Q | 37.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -51.5 | 155.8 | 178.9 | -53.3 | 163 | -78 | 0 | 0 | 115.1 | ||||
| 503 | F | 32.4 | Very low | 32 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | -179.8 | 107.3 | 123.4 | -97.7 | -74.1 | 0 | 0 | 0 | 106.7 | |||||
| 504 | N | 29.3 | Very low | 32.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 70.7 | 81.9 | 58.3 | -171.2 | 52.5 | 0 | 0 | 0 | 114.3 | |||||
| 505 | M | 33.1 | Very low | 32.4 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -152 | 136.8 | 155 | -147.5 | 76.9 | 159.9 | 0 | 0 | 105.3 | ||||
| 506 | G | 25.8 | Very low | 31.9 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 124.7 | 75.7 | 8.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 507 | G | 31.2 | Very low | 32 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -144.7 | 104.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 508 | A | 33.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -111.8 | -153.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 509 | F | 29.2 | Very low | 33.2 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 76 | 123.1 | -170.8 | -46.1 | -68.1 | 0 | 0 | 0 | 113.2 | ||||
| 510 | S | 31.4 | Very low | 33.3 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | cis | -163.8 | 163.1 | -4.1 | -107.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 511 | N | 31.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | cis | -157.7 | 177 | 10.9 | -101.9 | -11.4 | 0 | 0 | 0 | 105.9 | ||||
| 512 | M | 34.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | cis | -170.3 | 169.8 | -4.3 | -110.1 | 171.3 | 174.1 | 0 | 0 | 105.6 | ||||
| 513 | A | 32.4 | Very low | 32 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | cis | -160.5 | 157.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 514 | A | 34.8 | Very low | 31.8 | Very low | 111 Ų | 111 | 122 Ų | 122 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | 57.6 | 138 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 515 | G | 29.8 | Very low | 31.9 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | cis | 166.7 | 166.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 516 | M | 33.2 | Very low | 31.8 | Very low | 199 Ų | 199 | 116 Ų | 116 | 98% | 0.98 | 79% | 0.794 | S | S | * | * | trans | 53.4 | 117.6 | 166.5 | -61.6 | 158.5 | 60.7 | 0 | 0 | 116 | ||||
| 517 | G | 29.7 | Very low | 32.1 | Very low | 74 Ų | 74 | 116.2 Ų | 116.2 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | 136.5 | 152.2 | 38.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 518 | P | 54.8 | Low | 32.2 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -111 | 168.8 | -157.8 | 37.7 | -28.7 | 0 | 0 | 0 | 115.1 | ||||
| 519 | L | 31.7 | Very low | 32.2 | Very low | 150 Ų | 150 | 119.6 Ų | 119.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | 169.9 | 143.5 | 117.1 | -89.3 | 168.3 | 0 | 0 | 0 | 114.9 | |||||
| 520 | L | 31.5 | Very low | 32.2 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 65.3 | 168 | 149.6 | -65.5 | 170.2 | 0 | 0 | 0 | 120.7 | ||||
| 521 | A | 28.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -125.5 | 155.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 522 | A | 27.9 | Very low | 32.3 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -156.8 | 169.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 523 | V | 27.1 | Very low | 32.1 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -117.8 | 162.7 | -178.7 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 524 | S | 27.8 | Very low | 32.2 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 111.6 | 137.4 | 136.9 | -149.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 525 | S | 30.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 69.4 | 146.1 | 141.2 | 65.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 526 | G | 30.7 | Very low | 31.9 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 97 | 138.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 527 | G | 31.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 116.8 Ų | 116.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | cis | 134.9 | 151.4 | 8.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 528 | V | 33.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | cis | -170.2 | 167.6 | 3.4 | 63.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 529 | S | 32.8 | Very low | 31.8 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 74.9 | 156.3 | 157.7 | 82.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 530 | T | 29.3 | Very low | 33 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | cis | -139.2 | 138.6 | 3.6 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 531 | M | 38 | Very low | 33 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | 46.1 | 148.6 | 120.5 | -53 | -179.1 | 69.6 | 0 | 0 | 120.7 | |||||
| 532 | D | 27.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | cis | -161.6 | -173.6 | 2.1 | -132.5 | 57.9 | 0 | 0 | 0 | 109.1 | ||||
| 533 | T | 30.5 | Very low | 33.3 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | cis | -151.9 | -164.3 | 5.7 | -159.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 534 | A | 33.7 | Very low | 33.4 | Very low | 81 Ų | 81 | 118.5 Ų | 118.5 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -137.2 | -172.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 535 | S | 30.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | -167.3 | 160 | 11.4 | -149 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 536 | M | 30 | Very low | 33.8 | Very low | 179 Ų | 179 | 116.7 Ų | 116.7 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 156.4 | 149.2 | -75.8 | -69.8 | -178.7 | 0 | 0 | 124.4 | ||||
| 537 | A | 26.7 | Very low | 34.7 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 87.1 | 160.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 538 | S | 26.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -142.4 | -143 | -165.2 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 539 | P | 61.9 | Low | 34.6 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -93.6 | -150.5 | -120.3 | 44.2 | -28 | 0 | 0 | 0 | 112.6 | |||||
| 540 | P | 56.3 | Low | 35.3 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | cis | -139 | -174.8 | -6.9 | 42.3 | -23.5 | 0 | 0 | 0 | 116.2 | ||||
| 541 | Q | 32.3 | Very low | 35.5 | Very low | 171 Ų | 171 | 124.1 Ų | 124.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | 177.4 | 130.4 | 119.5 | -96.6 | -176.6 | 26.7 | 0 | 0 | 115.1 | |||||
| 542 | S | 30.6 | Very low | 35 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 52.9 | 154.3 | 140.9 | 77.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 543 | L | 30.6 | Very low | 35.3 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -143.3 | 153.9 | 17.7 | -84 | 169.6 | 0 | 0 | 0 | 114 | ||||
| 544 | T | 30.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | 51.3 | 127.7 | 148.3 | 56 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 545 | G | 27.8 | Very low | 35.3 | Very low | 85 Ų | 85 | 127 Ų | 127 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | trans | 153.7 | 120.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 546 | A | 38.1 | Very low | 35.5 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -136.1 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 547 | P | 50.2 | Low | 35.6 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | cis | -130.7 | 173.6 | -22 | 35.1 | -18.3 | 0 | 0 | 0 | 114 | ||||
| 548 | G | 30.2 | Very low | 36.2 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | 148.9 | 94.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 549 | L | 33.3 | Very low | 36.4 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -117.9 | -177.8 | 173.1 | -65.1 | 176.9 | 0 | 0 | 0 | 108.6 | ||||
| 550 | P | 47.6 | Very low | 35.2 | Very low | 102 Ų | 102 | 129 Ų | 129 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | cis | -152.2 | 177.4 | 12.9 | 46.7 | -27.2 | 0 | 0 | 0 | 119.9 | ||||
| 551 | F | 33.7 | Very low | 34.3 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 49.7 | 173.9 | 139.6 | -70.2 | -48.9 | 0 | 0 | 0 | 121.4 | ||||
| 552 | H | 28.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -145.9 | 169.1 | -5.1 | -151.6 | -93.7 | 0 | 0 | 0 | 111.1 | ||||
| 553 | L | 31.5 | Very low | 34.7 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -130.7 | 119.8 | 159.6 | 162.3 | 138.8 | 0 | 0 | 0 | 108.3 | ||||
| 554 | Q | 31.2 | Very low | 34.9 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | -164.9 | 156.7 | 156.5 | -150.4 | 56.7 | 2.2 | 0 | 0 | 114.3 | ||||
| 555 | Q | 34.8 | Very low | 35 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | trans | -47.1 | 161.6 | -179.6 | -53.7 | 154.5 | -62.1 | 0 | 0 | 117.5 | V557 | Q555-V557 HydrophobicContact CB-CG2 4.29Š| ||
| 556 | H | 34 | Very low | 35.4 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | -124.2 | 151 | 124.2 | -114 | -91.3 | 0 | 0 | 0 | 110.2 | |||||
| 557 | V | 32 | Very low | 36 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 60% | 0.6 | 75% | 0.752 | S | S | * | * | trans | -126.2 | 137.5 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | Q555 | Q555-V557 HydrophobicContact CB-CG2 4.29Š| ||
| 558 | L | 38.4 | Very low | 35.2 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | 172.5 | 163.3 | 134.3 | -94.3 | 166.2 | 0 | 0 | 0 | 113.6 | ||||
| 559 | A | 31.6 | Very low | 35 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | -27.5 | 150.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 560 | S | 36 | Very low | 34.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | -173.5 | 170.2 | 65.6 | 42 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 561 | Q | 37.1 | Very low | 34.1 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -9.2 | 144.1 | 153.5 | -48.2 | 171.7 | 42.1 | 0 | 0 | 116.4 | ||||
| 562 | G | 33.9 | Very low | 34.5 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | cis | 150.3 | 177 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 563 | L | 38.8 | Very low | 35.2 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 96% | 0.963 | 76% | 0.759 | S | S | * | * | trans | 66.6 | 159.4 | 176.1 | -52.4 | 176.6 | 0 | 0 | 0 | 115.8 | ||||
| 564 | A | 33.3 | Very low | 35.3 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -164.8 | 146 | -32.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 565 | M | 33.9 | Very low | 36.2 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | 62.7 | 134.4 | 145.5 | -67 | -60.1 | -69.8 | 0 | 0 | 122.9 | ||||
| 566 | S | 35.5 | Very low | 35.9 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -81.5 | -165.4 | 153 | -142.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 567 | P | 51.4 | Low | 35.8 | Very low | 89 Ų | 89 | 135 Ų | 135 | 58% | 0.578 | 76% | 0.762 | S | S | * | * | cis | -140.9 | -163.5 | 1.4 | 25.9 | 2.9 | 0 | 0 | 0 | 114.9 | ||||
| 568 | F | 31.8 | Very low | 35.7 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | trans | 66.3 | 157.2 | 171.9 | -69.3 | -93.2 | 0 | 0 | 0 | 116.6 | ||||
| 569 | G | 27.2 | Very low | 35.8 | Very low | 52 Ų | 52 | 140.4 Ų | 140.4 | 54% | 0.536 | 77% | 0.771 | S | S | . | * | cis | 146.6 | 153.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 570 | S | 28 | Very low | 35.8 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 66.6 | 166.9 | 179.9 | 85.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 571 | L | 33.4 | Very low | 35.5 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | cis | -160.8 | 159.5 | -26.5 | -111.2 | 169.9 | 0 | 0 | 0 | 107.5 | ||||
| 572 | F | 42 | Very low | 35.1 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -85.2 | 146.3 | 169.5 | -79.1 | -75.3 | 0 | 0 | 0 | 110.8 | ||||
| 573 | P | 43.9 | Very low | 35 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | -151.2 | -179.8 | 88.6 | 39.1 | -19.2 | 0 | 0 | 0 | 117.7 | |||||
| 574 | Y | 33.3 | Very low | 34.6 | Very low | 217 Ų | 217 | 133.1 Ų | 133.1 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -67.8 | 175.8 | 169.4 | -87.1 | -94.7 | 0 | 0 | 0 | 113.1 | ||||
| 575 | P | 50 | Low | 34.4 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | cis | -148.3 | -177.1 | 26.4 | 43.5 | -22.2 | 0 | 0 | 0 | 120 | ||||
| 576 | Y | 28.3 | Very low | 34.3 | Very low | 211 Ų | 211 | 130.7 Ų | 130.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 72.9 | 157.9 | 147.7 | -89.1 | -150.4 | 0 | 0 | 0 | 120.7 | ||||
| 577 | T | 32.5 | Very low | 33.9 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 61% | 0.607 | 78% | 0.776 | S | S | * | * | cis | -166.9 | 151.6 | -27.5 | 22 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 578 | Y | 30.2 | Very low | 32.9 | Very low | 207 Ų | 207 | 132 Ų | 132 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | 71.7 | 148.6 | 146.7 | -103.3 | -77.2 | 0 | 0 | 0 | 125.1 | ||||
| 579 | M | 39.5 | Very low | 32.7 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | 71.4 | 151.8 | 158.9 | -66.2 | -160.2 | -155 | 0 | 0 | 120.1 | ||||
| 580 | A | 31.7 | Very low | 32.8 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | cis | -171.6 | 164.3 | -25.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 581 | A | 30.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | 64.7 | 164.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 582 | A | 28.8 | Very low | 32.5 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | -169.1 | -172.2 | -31.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 583 | A | 30.7 | Very low | 31.8 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | 73.3 | 148.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 584 | A | 31.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -159.6 | -176.8 | -16.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 585 | A | 29.7 | Very low | 30.9 | Very low | 93 Ų | 93 | 122 Ų | 122 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -56.9 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 586 | S | 30.6 | Very low | 30 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | -160.2 | 144.6 | 35.8 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 587 | S | 28.2 | Very low | 30.7 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | 89 | 141.1 | 70.4 | -50.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 588 | A | 29 | Very low | 30.7 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 86.9 | 146.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 589 | A | 29.2 | Very low | 31 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | -165.9 | 157.3 | -24.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 590 | S | 27.7 | Very low | 30.5 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 72.7 | 132.1 | 149.1 | -62.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 591 | S | 28.6 | Very low | 30.5 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 76.9 | 151.9 | 147.6 | 86 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 592 | S | 26.8 | Very low | 30.6 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | cis | -170.7 | 122.6 | -11 | 144.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 593 | V | 28.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 53.4 | 167.9 | 169.8 | -86.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 594 | H | 27.5 | Very low | 31.5 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 61% | 0.611 | 79% | 0.789 | S | S | * | * | cis | -158.5 | 162.6 | 20.8 | -139.1 | 21.3 | 0 | 0 | 0 | 113.3 | ||||
| 595 | R | 30.7 | Very low | 31.7 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 32.8 | 135.3 | 143.3 | -73.5 | 178.3 | 165.7 | 140.7 | -14.8 | 123.1 | ||||
| 596 | H | 29.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -55.6 | 168.5 | 148.7 | -57.9 | -65.8 | 0 | 0 | 0 | 112.5 | ||||
| 597 | P | 44.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | -145.6 | -169.2 | 24.2 | 44.1 | -23.3 | 0 | 0 | 0 | 117.1 | ||||
| 598 | F | 31.2 | Very low | 32 | Very low | 199 Ų | 199 | 151.7 Ų | 151.7 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 149.9 | 160.2 | -70.4 | -99.9 | 0 | 0 | 0 | 111.8 | ||||
| 599 | L | 37.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | -171.4 | 178.9 | 125.1 | -105.2 | 172.7 | 0 | 0 | 0 | 112.9 | |||||
| 600 | N | 29.3 | Very low | 33.1 | Very low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -91.3 | 167.5 | -167.1 | -67.4 | -60.9 | 0 | 0 | 0 | 115.5 | ||||
| 601 | A | 32.1 | Very low | 33.2 | Very low | 90 Ų | 90 | 156.6 Ų | 156.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 111.5 | 119.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 602 | V | 32.4 | Very low | 33.4 | Very low | 132 Ų | 132 | 156.9 Ų | 156.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 55.2 | 105.4 | 134 | -172 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 603 | R | 38 | Very low | 34 | Very low | 234 Ų | 234 | 159.7 Ų | 159.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 34.8 | 137.7 | 131.3 | -67.8 | -175.7 | 178.1 | -168.8 | -0 | 119.9 | ||||
| 604 | P | 40.2 | Very low | 34.6 | Very low | 129 Ų | 129 | 159.7 Ų | 159.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | -145.2 | -171.5 | 57 | 40.3 | -20.7 | 0 | 0 | 0 | 117.4 | |||||
| 605 | R | 35.7 | Very low | 35.1 | Very low | 231 Ų | 231 | 161.5 Ų | 161.5 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -64 | 148.6 | 178.3 | -74.7 | 172.7 | 159.8 | 169 | -7.5 | 113.1 | ||||
| 606 | L | 33.4 | Very low | 35 | Very low | 151 Ų | 151 | 158.4 Ų | 158.4 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | -170.3 | 167.9 | 104.7 | -100.4 | 168.9 | 0 | 0 | 0 | 114.3 | |||||
| 607 | R | 33.3 | Very low | 35.1 | Very low | 212 Ų | 212 | 155.8 Ų | 155.8 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -47.7 | 153.7 | -179.2 | -51.4 | 160.6 | -177.6 | 165.2 | -2.3 | 112.5 | ||||
| 608 | Y | 28.1 | Very low | 35.5 | Very low | 208 Ų | 208 | 154.7 Ų | 154.7 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | -176 | 158.4 | 63 | -152 | -94.1 | 0 | 0 | 0 | 110.1 | |||||
| 609 | S | 37.5 | Very low | 35.4 | Very low | 85 Ų | 85 | 152 Ų | 152 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | trans | -129.1 | 144.7 | 167.1 | 169.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 610 | P | 41.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -134.4 | 148.7 | 135 | 23.4 | -4.8 | 0 | 0 | 0 | 113.4 | ||||
| 611 | Y | 31.5 | Very low | 35.3 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -78.3 | 157.4 | 165.3 | -75.9 | -106.1 | 0 | 0 | 0 | 111.1 | ||||
| 612 | S | 31.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -144.2 | 116.3 | 145.2 | -82.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 613 | L | 39.3 | Very low | 35.4 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -80.1 | 169.9 | 156 | -76.7 | 172.7 | 0 | 0 | 0 | 108 | ||||
| 614 | P | 41.4 | Very low | 35 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | cis | -151.2 | -170.5 | 45.2 | 42.9 | -19.7 | 0 | 0 | 0 | 118.5 | ||||
| 615 | M | 37.8 | Very low | 34.5 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 84% | 0.837 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 152.2 | 179.5 | -59.7 | -98.8 | -123.4 | 0 | 0 | 114 | ||||
| 616 | T | 28.2 | Very low | 34.3 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -147 | 155 | 148.6 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 617 | V | 33.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -162.2 | 155.7 | -168.4 | 178.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 618 | P | 53 | Low | 35.5 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | -129.4 | -159.1 | -10 | 30 | -5.1 | 0 | 0 | 0 | 114.5 | ||||
| 619 | D | 28.3 | Very low | 36.8 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 73.2 | 128.9 | 146.1 | -65.5 | -21.9 | 0 | 0 | 0 | 123.8 | ||||
| 620 | S | 31.5 | Very low | 36.5 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 167.7 | 127 | 106.6 | -72.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 621 | T | 33.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | 60.1 | 156 | 141.2 | 60 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 622 | L | 34.7 | Very low | 37.1 | Very low | 140 Ų | 140 | 128 Ų | 128 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -161.4 | 164.6 | -10.4 | -103.7 | 163.9 | 0 | 0 | 0 | 106.7 | ||||
| 623 | L | 31.6 | Very low | 37 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | cis | -156.7 | 144.4 | 46.8 | -67.1 | 160.9 | 0 | 0 | 0 | 109.6 | ||||
| 624 | T | 30.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | 54.2 | 137.8 | 79.8 | 13.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 625 | T | 29.2 | Very low | 36.1 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -163.9 | 152.9 | 5.9 | -26.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 626 | A | 31.8 | Very low | 35.6 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | cis | 98.1 | 126.1 | 13 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 627 | V | 33.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | cis | -143.6 | -67.5 | -10.8 | -158.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 628 | P | 58.5 | Low | 35.5 | Very low | 114 Ų | 114 | 115 Ų | 115 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -132 | -166.3 | -143.4 | 45.4 | -28.3 | 0 | 0 | 0 | 116 | ||||
| 629 | P | 54 | Low | 34.5 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | cis | -135.3 | -170.4 | -4 | 42.8 | -22.8 | 0 | 0 | 0 | 117.7 | ||||
| 630 | M | 30.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 112.9 Ų | 112.9 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | trans | -58.4 | 179 | 171.4 | -77.5 | -98.3 | -78.5 | 0 | 0 | 117.9 | ||||
| 631 | P | 56.6 | Low | 36 | Very low | 92 Ų | 92 | 116 Ų | 116 | 60% | 0.597 | 79% | 0.786 | S | S | * | * | cis | -143.5 | -171.6 | -18.1 | 28.9 | -3.6 | 0 | 0 | 0 | 117.7 | ||||
| 632 | T | 29.6 | Very low | 36.2 | Very low | 129 Ų | 129 | 116 Ų | 116 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 98.1 | 151.4 | 148.4 | 64.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 633 | V | 30.3 | Very low | 36.1 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 94.6 | 93.9 | 159.3 | -166.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 634 | A | 32 | Very low | 36.3 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | 50.3 | 153.4 | 127.5 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 635 | G | 29.2 | Very low | 36.4 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 100.2 | 130.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 636 | G | 28.7 | Very low | 36.5 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | cis | 99.3 | 120 | 6.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 637 | G | 28.7 | Very low | 36.6 | Very low | 80 Ų | 80 | 118.6 Ų | 118.6 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | 169.8 | -175 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 638 | G | 29.5 | Very low | 36.7 | Very low | 88 Ų | 88 | 118.3 Ų | 118.3 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | 88.8 | 157.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 639 | G | 32.3 | Very low | 36.5 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 116.3 | 118.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 640 | P | 58.7 | Low | 35.3 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -126.2 | -159.5 | -178.7 | 35.6 | -15.5 | 0 | 0 | 0 | 114.5 | ||||
| 641 | E | 32.9 | Very low | 35.5 | Very low | 165 Ų | 165 | 114.9 Ų | 114.9 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | 81.6 | 154.2 | 166.8 | -53.4 | -159.7 | 97.3 | 0 | 0 | 118.5 | ||||
| 642 | L | 36.8 | Very low | 35.1 | Very low | 129 Ų | 129 | 116.6 Ų | 116.6 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | cis | -167.6 | 162.2 | -28.4 | -106.3 | -171.3 | 0 | 0 | 0 | 110.2 | ||||
| 643 | K | 32.7 | Very low | 35.3 | Very low | 191 Ų | 191 | 114.3 Ų | 114.3 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 63.3 | 172.1 | 156.1 | -76 | -177.5 | 173.6 | -176.5 | 0 | 118.8 | ||||
| 644 | A | 36 | Very low | 35.5 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 56% | 0.562 | 80% | 0.796 | S | S | * | * | cis | -173.4 | 165.9 | -40.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 645 | D | 32.1 | Very low | 35.3 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | 63.6 | 158 | 163.3 | -48.7 | -42.3 | 0 | 0 | 0 | 118.5 | ||||
| 646 | G | 32.1 | Very low | 35.5 | Very low | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 170.9 | 153.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 647 | L | 34 | Very low | 35.4 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 63.5 | 122.1 | 161.7 | -58.6 | 162.1 | 0 | 0 | 0 | 119.5 | ||||
| 648 | V | 35.3 | Very low | 35.5 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | 59.6 | 137.4 | 62 | 178.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 649 | P | 53.9 | Low | 35.5 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | cis | -134.4 | -175.3 | 7.5 | 38.6 | -19.1 | 0 | 0 | 0 | 117 | ||||
| 650 | A | 30 | Very low | 35.5 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | 157.1 | 153.5 | 123 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 651 | S | 34.5 | Very low | 34.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -125.4 | 164.1 | 169.4 | -44 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 652 | P | 48.6 | Very low | 34.1 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | -151.2 | -143.5 | 71 | 38.9 | -15.6 | 0 | 0 | 0 | 113.1 | |||||
| 653 | A | 34.1 | Very low | 33.7 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | -160.7 | 172.5 | -85.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 654 | V | 32.6 | Very low | 33.6 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | 61.4 | 163.6 | 171.7 | -114.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 655 | T | 28.6 | Very low | 33.3 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | cis | -146.6 | 149.3 | 10.5 | 13.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 656 | L | 34.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 121 Ų | 121 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | 48.7 | 140.4 | 92.6 | -59.8 | 178.5 | 0 | 0 | 0 | 116.4 | |||||
| 657 | D | 26.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -169.8 | 166 | -11.2 | -176.3 | 38.2 | 0 | 0 | 0 | 112.5 | ||||
| 658 | S | 31.2 | Very low | 33 | Very low | 78 Ų | 78 | 118.7 Ų | 118.7 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | trans | 57.1 | 144.2 | 149.8 | -79.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 659 | T | 28.8 | Very low | 33 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 65.5 | 155.4 | 147.3 | 51.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 660 | S | 31.7 | Very low | 32.2 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -175 | 144.9 | -30.7 | 53 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 661 | E | 31 | Very low | 32.2 | Very low | 179 Ų | 179 | 121.3 Ų | 121.3 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | 63 | 150.4 | 157.2 | -85.5 | -168.9 | 120.4 | 0 | 0 | 119.6 | ||||
| 662 | V | 31.5 | Very low | 32 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | cis | -142.3 | -177.3 | -4.8 | -142.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 663 | T | 28.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | 68.1 | 166 | 162.5 | 38.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 664 | S | 30.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -142.1 | 145.2 | 1.4 | -128.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 665 | H | 30.5 | Very low | 31.4 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 12.3 | 120.2 | 167.7 | -48.8 | -76.9 | 0 | 0 | 0 | 121.5 | ||||
| 666 | S | 30.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | 173.6 | 139.7 | 100 | -164.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 667 | S | 30.7 | Very low | 31.6 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 25.5 | 121.3 | 149.8 | 63.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 668 | G | 29.8 | Very low | 32.1 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 158.5 | 115.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 669 | I | 34.4 | Very low | 32.6 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -105 | 121.2 | 171.7 | -59.6 | 173 | 0 | 0 | 0 | 109.6 | ||||
| 670 | P | 37.4 | Very low | 33.4 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -97.4 | 130.8 | 162.8 | 34 | -27.7 | 0 | 0 | 0 | 111.1 | ||||
| 671 | S | 29.6 | Very low | 34.1 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -107.6 | 138.2 | 166.4 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 672 | A | 30.7 | Very low | 34.8 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -96.1 | 145.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 673 | S | 31.5 | Very low | 35.7 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -129.9 | 134.1 | 174.5 | -69 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 674 | P | 41.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -80.2 | 167.3 | 171.5 | 33.2 | -33.8 | 0 | 0 | 0 | 112.5 | ||||
| 675 | K | 30.8 | Very low | 37.9 | Very low | 210 Ų | 210 | 128.6 Ų | 128.6 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -80.9 | 151.6 | -167.5 | -60.7 | 168.7 | -178.7 | 173.2 | 0 | 113.7 | ||||
| 676 | A | 32.7 | Very low | 39 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -114.1 | 151.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 677 | C | 33.1 | Very low | 39.9 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | trans | -160.6 | 109.2 | 179.3 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 678 | A | 36.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | 179.6 | 87.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 679 | E | 41.3 | Very low | 42.3 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -146.9 | 78.3 | 170.7 | -166.4 | 171.1 | -161 | 0 | 0 | 110.9 | ||||
| 680 | K | 46 | Very low | 42.9 | Very low | 187 Ų | 187 | 123.8 Ų | 123.8 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -143.5 | -26.7 | 175.2 | -160.1 | 164.9 | -177 | 175.5 | 0 | 115.4 | ||
| 681 | D | 46.3 | Very low | 43.6 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -74.7 | -32.2 | -178.7 | -62.9 | -71.8 | 0 | 0 | 0 | 114.2 | A683 N684 | D681-A683 PolarHBondContact O-N 3.26Å; D681-A683 VanDerWaalsContact O-N 3.13Å; D681-N684 PolarHBondContact O-N 3.49Å; D681-N684 VanDerWaalsContact O-N 3.12Å |
| 682 | A | 46.6 | Very low | 44.7 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 58% | 0.579 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -60.2 | -27.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N684 | A682-N684 VanDerWaalsContact C-N 3.33Å; A682-N684 PolarHBondContact O-N 3.17Å |
| 683 | A | 49.2 | Very low | 45.6 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -72.5 | -24.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D681 | D681-A683 PolarHBondContact O-N 3.26Å; D681-A683 VanDerWaalsContact O-N 3.13Å |
| 684 | N | 52.8 | Low | 46.2 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 65% | 0.647 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -86.4 | -31.5 | -171.2 | -141.8 | 1.8 | 0 | 0 | 0 | 112.2 | D681 A682 | D681-N684 PolarHBondContact O-N 3.49Å; D681-N684 VanDerWaalsContact O-N 3.12Å; A682-N684 VanDerWaalsContact C-N 3.33Å; A682-N684 PolarHBondContact O-N 3.17Å |
| 685 | E | 54.1 | Low | 46.5 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.5 | -40.1 | -179.6 | -166 | 168 | -146.2 | 0 | 0 | 112.1 | Q687 S688 I689 | E685-Q687 PolarHBondContact O-N 3.13Å; E685-S688 WeakPolarHBondContact O-CB 3.34Å; E685-S688 PolarHBondContact O-N 3.37Å; E685-S688 VanDerWaalsContact O-N 3.14Å; E685-I689 PolarHBondContact O-N 3.34Å |
| 686 | L | 53.4 | Low | 47.3 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -61.9 | -39.7 | 179.1 | -69.3 | 172.7 | 0 | 0 | 0 | 113.2 | S688 I689 Q690 | L686-S688 PolarHBondContact O-N 3.11Å; L686-I689 PolarHBondContact O-N 3.37Å; L686-Q690 PolarHBondContact O-N 3.21Å |
| 687 | Q | 49.5 | Very low | 47.9 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 48% | 0.481 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -67 | -26 | 177.3 | -67.6 | -164.6 | 9.4 | 0 | 0 | 113.2 | E685 R691 | E685-Q687 PolarHBondContact O-N 3.13Å; Q687-R691 PolarHBondContact O-NH1 3.01Å |
| 688 | S | 54.4 | Low | 48.5 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 49% | 0.49 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -70.9 | -42.7 | 176.9 | -162.6 | 0 | 0 | 0 | 0 | 111.3 | E685 L686 Q690 | E685-S688 WeakPolarHBondContact O-CB 3.34Å; E685-S688 PolarHBondContact O-N 3.37Å; E685-S688 VanDerWaalsContact O-N 3.14Å; L686-S688 PolarHBondContact O-N 3.11Å; S688-Q690 PolarHBondContact O-N 2.93Å |
| 689 | I | 55.2 | Low | 48.8 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 50% | 0.497 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 179.6 | -61.8 | 168.4 | 0 | 0 | 0 | 111.1 | E685 L686 R691 L692 | E685-I689 PolarHBondContact O-N 3.34Å; L686-I689 PolarHBondContact O-N 3.37Å; I689-R691 VanDerWaalsContact C-N 3.29Å; I689-R691 PolarHBondContact O-N 3.41Å; I689-L692 PolarHBondContact O-N 3.04Å |
| 690 | Q | 48.3 | Very low | 48.6 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.2 | -25.8 | -174.4 | -147.3 | 170.2 | 13.5 | 0 | 0 | 113.8 | L686 S688 S694 | L686-Q690 PolarHBondContact O-N 3.21Å; S688-Q690 PolarHBondContact O-N 2.93Å; Q690-S694 PolarHBondContact O-OG 3.3Å |
| 691 | R | 51 | Low | 47.9 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.4 | -15.3 | 173.9 | -61.2 | -173.8 | -163.5 | 102.3 | 4.8 | 113.8 | Q687 I689 | Q687-R691 PolarHBondContact O-NH1 3.01Å; I689-R691 VanDerWaalsContact C-N 3.29Å; I689-R691 PolarHBondContact O-N 3.41Å |
| 692 | L | 52.3 | Low | 47.4 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -87.9 | -24.4 | -180 | -100.5 | 160.2 | 0 | 0 | 0 | 113.2 | I689 | I689-L692 PolarHBondContact O-N 3.04Å |
| 693 | V | 50.4 | Low | 47.2 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 56% | 0.558 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84 | -31.4 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | G695 | V693-G695 PolarHBondContact O-N 2.94Å; V693-G695 VanDerWaalsContact O-N 3.11Å |
| 694 | S | 44.5 | Very low | 46.6 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -0.6 | -173.2 | 27.6 | 0 | 0 | 0 | 0 | 115.3 | Q690 | Q690-S694 PolarHBondContact O-OG 3.3Š|
| 695 | G | 47.7 | Very low | 46 | Very low | 57 Ų | 57 | 136.1 Ų | 136.1 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 6.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | V693 | V693-G695 PolarHBondContact O-N 2.94Å; V693-G695 VanDerWaalsContact O-N 3.11Å |
| 696 | L | 47.3 | Very low | 45.1 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -124 | -2.6 | -168.7 | -73.1 | 171.9 | 0 | 0 | 0 | 116.4 | ||
| 697 | E | 45.3 | Very low | 44.2 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -106.2 | 38.4 | -175.8 | -66.6 | -170.9 | 94 | 0 | 0 | 113.8 | ||
| 698 | S | 46.4 | Very low | 44.4 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -132.2 | 37.8 | -174.1 | 58 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 699 | S | 42.8 | Very low | 43.9 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -155.3 | 77.2 | 166.7 | -80.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 700 | Q | 36 | Very low | 43.3 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -156.3 | 164.3 | 147.2 | -119.8 | -175.2 | -93.8 | 0 | 0 | 113.9 | ||||
| 701 | D | 32.2 | Very low | 43 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 67 | 84.8 | 163.8 | -56.3 | -6.6 | 0 | 0 | 0 | 119 | ||||
| 702 | R | 36.7 | Very low | 42.5 | Very low | 247 Ų | 247 | 141 Ų | 141 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 133.6 | 146.9 | -88.9 | -176.7 | 170.4 | -178.5 | -2.7 | 109.6 | ||
| 703 | P | 42.2 | Very low | 41.9 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 152.2 | 171.9 | 31.9 | -34.1 | 0 | 0 | 0 | 112.7 | ||
| 704 | R | 36.9 | Very low | 41.3 | Very low | 255 Ų | 255 | 144.5 Ų | 144.5 | 96% | 0.962 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 140.2 | 169.3 | -106.7 | 178.5 | 167.4 | 173.5 | -5.3 | 110.5 | ||
| 705 | S | 40 | Very low | 41.1 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | trans | -156 | 156.2 | 154.7 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 706 | G | 34 | Very low | 40.6 | Very low | 75 Ų | 75 | 155.2 Ų | 155.2 | 77% | 0.773 | 87% | 0.865 | S | S | * | * | trans | 86.2 | 100.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 707 | S | 35.5 | Very low | 40 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 81% | 0.811 | 87% | 0.87 | S | S | * | * | trans | -147.6 | 147.5 | 143 | -68 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 708 | P | 52.4 | Low | 39.6 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 100% | 1.325 | 87% | 0.872 | S | S | * | * | trans | -71.1 | 0 | 179.3 | 32.3 | -36.1 | 0 | 0 | 0 | 112.5 |
Retrieved 708 of 708 residues in 2699.3 ms
(Link to these results)