| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 37.3 | Very low | 235 Ų | 235 | 169.9 Ų | 169.9 | 100% | 1.158 | 84% | 0.844 | S | S | * | * | 0 | 139.6 | 0 | -64.1 | -60.8 | -99 | 0 | 0 | 108 | |||||
| 2 | H | 34.5 | Very low | 36.8 | Very low | 200 Ų | 200 | 164 Ų | 164 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | -87 | 167.2 | -161.4 | -82.8 | -106.1 | 0 | 0 | 0 | 115.2 | ||||
| 3 | L | 38.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 164.3 Ų | 164.3 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -99.5 | 170.5 | -175.2 | -67.4 | 164.8 | 0 | 0 | 0 | 112.8 | ||||
| 4 | R | 32.4 | Very low | 35.9 | Very low | 233 Ų | 233 | 160.8 Ų | 160.8 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | 79.3 | 135.2 | 167.7 | -49.9 | -179.1 | -176.6 | -171.1 | -0.3 | 114.2 | ||||
| 5 | S | 42 | Very low | 35.2 | Very low | 105 Ų | 105 | 161.5 Ų | 161.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | cis | 103.3 | 94.9 | 16.8 | -61.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 6 | Y | 33.1 | Very low | 35.1 | Very low | 217 Ų | 217 | 161 Ų | 161 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | 63.1 | 149.6 | 154.2 | -75.4 | -71.8 | 0 | 0 | 0 | 118.2 | ||||
| 7 | P | 53.7 | Low | 34.7 | Very low | 112 Ų | 112 | 160.9 Ų | 160.9 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | -136.4 | 161.1 | 76.7 | 37.6 | -22.4 | 0 | 0 | 0 | 116.7 | |||||
| 8 | K | 39.7 | Very low | 34.4 | Very low | 185 Ų | 185 | 156.6 Ų | 156.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -105.4 | 156.4 | 142.9 | -72.7 | -177.7 | 176.7 | -178.9 | 0 | 107.4 | ||||
| 9 | L | 37.4 | Very low | 34.1 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -137.3 | 153.9 | 166.6 | -73.8 | 176.6 | 0 | 0 | 0 | 112 | ||||
| 10 | L | 31.6 | Very low | 33.8 | Very low | 158 Ų | 158 | 159.7 Ų | 159.7 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -102.9 | 179.1 | 174.1 | -83.5 | 66.6 | 0 | 0 | 0 | 109.1 | ||||
| 11 | C | 29.1 | Very low | 33.6 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | cis | -124.4 | -129.7 | -0.8 | -149.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | S | 31.5 | Very low | 33.2 | Very low | 99 Ų | 99 | 154 Ų | 154 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | cis | -147.3 | 150.4 | 6.5 | -57.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 13 | E | 31.7 | Very low | 33 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | 54.6 | 133.9 | 69.6 | -57.1 | -160 | 128.9 | 0 | 0 | 115.9 | |||||
| 14 | V | 29.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | cis | -159.6 | 142.4 | -6.8 | 120.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 15 | H | 26.3 | Very low | 32.5 | Very low | 171 Ų | 171 | 142 Ų | 142 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -169.4 | 144.9 | 130.5 | -129.8 | -87.9 | 0 | 0 | 0 | 112.4 | ||||
| 16 | L | 33.3 | Very low | 32 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -105.3 | 154.8 | 162.7 | -80.5 | 160.9 | 0 | 0 | 0 | 108.3 | ||||
| 17 | D | 27.2 | Very low | 31.8 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | -154.4 | 164 | 127.8 | -130.2 | -38.2 | 0 | 0 | 0 | 111.3 | |||||
| 18 | A | 30.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -118.8 | 158.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 19 | V | 29 | Very low | 30.2 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -155.3 | 146.3 | 138 | 129.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 20 | R | 26.7 | Very low | 29.8 | Very low | 224 Ų | 224 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -83.9 | -178.9 | -175.3 | -168.2 | -166.7 | -86.4 | 170.2 | -9.9 | 110.4 | ||||
| 21 | V | 29.7 | Very low | 29.8 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 81.9 | 146 | 157.7 | 165 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 22 | Q | 29.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | cis | -173.1 | 165.9 | -35.4 | -149.9 | 174.9 | -4.8 | 0 | 0 | 109.7 | ||||
| 23 | T | 29.9 | Very low | 29.8 | Very low | 111 Ų | 111 | 145 Ų | 145 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | 66.4 | 147.8 | 156.1 | 63.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 24 | S | 30.7 | Very low | 29.8 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 148.4 | 146.7 | 83.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 25 | S | 29.8 | Very low | 30 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | cis | -151.6 | 170.8 | -23.1 | -160.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 26 | Q | 32.2 | Very low | 30.3 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -58.7 | 145.3 | 172.6 | -52.2 | 162.1 | 6.1 | 0 | 0 | 112.6 | ||||
| 27 | R | 29.6 | Very low | 30.2 | Very low | 250 Ų | 250 | 145.4 Ų | 145.4 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | -161.7 | 149 | 116.8 | -118.1 | 175.6 | 178.4 | 169.4 | -0.4 | 113.7 | |||||
| 28 | S | 28.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -110.5 | 143.6 | 164.3 | 168.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | A | 30.7 | Very low | 30.2 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -172.2 | 123 | 147.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 30 | Y | 29.3 | Very low | 30.4 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 62.2 | 116.7 | 134.4 | -81.5 | -104.9 | 0 | 0 | 0 | 123.9 | ||||
| 31 | F | 30.6 | Very low | 30.5 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | 57.1 | 134 | 128.5 | -84 | -105.1 | 0 | 0 | 0 | 122.1 | |||||
| 32 | G | 27.5 | Very low | 30.4 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 168.8 | 81.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 33 | S | 34 | Very low | 30.4 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -87.9 | 132.3 | 173.3 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 34 | H | 30.7 | Very low | 30.5 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | trans | -157.6 | 175.4 | 143.8 | -123.7 | -89.3 | 0 | 0 | 0 | 111.9 | ||||
| 35 | Q | 33.3 | Very low | 30.5 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -122.2 | 174.1 | -160.5 | -161.9 | 179.1 | -6.4 | 0 | 0 | 111.5 | ||||
| 36 | E | 33.5 | Very low | 30.8 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 96.2 | 111.9 | 155.8 | -61.1 | -135.4 | 77.5 | 0 | 0 | 121.6 | ||||
| 37 | T | 30.8 | Very low | 30.8 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | 63.2 | 119.6 | 111.9 | -46 | 0 | 0 | 0 | 0 | 121.5 | M39 | T37-M39 HydrophobicContact CG2-CE 4.19Å; T37-M39 HydrophobicContact CG2-CG 4.29Å | |||
| 38 | L | 30.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | 175.6 | 116.2 | 137.8 | -92.4 | 170.3 | 0 | 0 | 0 | 106.3 | ||||
| 39 | M | 28.5 | Very low | 31 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | cis | 88.3 | 136.1 | 47.7 | -71.1 | -136.6 | -155.7 | 0 | 0 | 115.8 | T37 | T37-M39 HydrophobicContact CG2-CE 4.19Å; T37-M39 HydrophobicContact CG2-CG 4.29Å | ||
| 40 | M | 32.9 | Very low | 31 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | trans | 75.4 | 143.4 | 160.5 | -63.1 | -39 | 173.6 | 0 | 0 | 119.8 | ||||
| 41 | K | 27.3 | Very low | 31 | Very low | 154 Ų | 154 | 134 Ų | 134 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | cis | -172.5 | 172.1 | -20.1 | -143.3 | 177.7 | -168.7 | 171.9 | 0 | 112.3 | ||||
| 42 | M | 28.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 129 Ų | 129 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | 73.6 | 149.3 | 162.8 | -54.4 | -39.1 | -158 | 0 | 0 | 117.9 | ||||
| 43 | S | 29.3 | Very low | 31.4 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -160.9 | 149.7 | -10.7 | -113.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 44 | S | 31.7 | Very low | 31.7 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | trans | 38.4 | 144.7 | 137.4 | -132.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 45 | N | 31.2 | Very low | 32.1 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -141.2 | 137 | 34.3 | -69 | -56.5 | 0 | 0 | 0 | 110.8 | ||||
| 46 | Q | 35.7 | Very low | 32 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | 54.9 | 129.9 | 85.3 | -63.7 | -172 | 64.7 | 0 | 0 | 114.6 | |||||
| 47 | S | 32.1 | Very low | 31.8 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | cis | -156.5 | -167.5 | 1.5 | 61.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 48 | N | 30.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -166.1 | 170.3 | 6.9 | -126.6 | -17.2 | 0 | 0 | 0 | 107.2 | ||||
| 49 | I | 32.7 | Very low | 32 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | cis | -155.8 | -166.5 | -6.6 | -159.5 | 156.5 | 0 | 0 | 0 | 109.5 | ||||
| 50 | S | 29.3 | Very low | 32 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -55.2 | 167.6 | 174.4 | -131.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 51 | T | 30 | Very low | 31.9 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | cis | -146 | 121 | 37.9 | 48.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 52 | S | 32.7 | Very low | 31.9 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | 44.4 | 139.2 | 130.5 | 79.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 53 | R | 33.8 | Very low | 32 | Very low | 239 Ų | 239 | 134.9 Ų | 134.9 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | 94.8 | 125.2 | 153.2 | -51.5 | -170.8 | -161.4 | -126 | 2.3 | 118.3 | ||||
| 54 | I | 39.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -115.1 | 133.8 | 169.5 | -71.2 | 165.6 | 0 | 0 | 0 | 105.1 | ||||
| 55 | P | 39 | Very low | 31.8 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -148.5 | 147.8 | 100.7 | 37.4 | -19.5 | 0 | 0 | 0 | 117.3 | |||||
| 56 | L | 32.1 | Very low | 31.6 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 23.3 | 117 | 142 | -62.3 | 168.2 | 0 | 0 | 0 | 119.6 | ||||
| 57 | S | 30.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -140.9 | 135.5 | 140.3 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 58 | F | 31.1 | Very low | 31.1 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -87.7 | -172.6 | 162.3 | -114.7 | -105.3 | 0 | 0 | 0 | 108.7 | ||||
| 59 | I | 33.3 | Very low | 31 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 86.1 | 113.3 | 177.7 | -51.1 | 162.1 | 0 | 0 | 0 | 111.3 | ||||
| 60 | S | 28.9 | Very low | 30.8 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | cis | 78.3 | 73.6 | 34.8 | -170.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 61 | T | 29.7 | Very low | 30.9 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -119.5 | 103.3 | 162.7 | 40.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 62 | N | 27.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -88.7 | 173.8 | 150.2 | -162.5 | -5.1 | 0 | 0 | 0 | 107.9 | ||||
| 63 | T | 31.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | 95.1 | 113.3 | 169.3 | -45.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 64 | L | 30.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 15 | 126 | 155.4 | -67.1 | 101.3 | 0 | 0 | 0 | 121 | ||||
| 65 | C | 27.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -83.9 | 126.7 | 146.1 | -62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 66 | Y | 26.8 | Very low | 29.5 | Very low | 212 Ų | 212 | 135.5 Ų | 135.5 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -80.5 | 130.8 | 158.1 | -92.2 | -104.6 | 0 | 0 | 0 | 108.9 | ||||
| 67 | S | 27.4 | Very low | 29.4 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -93.6 | 103.4 | 177.6 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 68 | T | 29.9 | Very low | 29.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -97.8 | 129.7 | 162.2 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 69 | G | 28.7 | Very low | 29.1 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 139 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 70 | G | 28.4 | Very low | 29.1 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -153.6 | 111.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 71 | S | 30.4 | Very low | 29.2 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 130.1 | -176 | 180 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 72 | S | 29.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 178.6 | 112.6 | 124.4 | 36.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 73 | H | 27.6 | Very low | 29.3 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 68% | 0.676 | 80% | 0.797 | S | S | * | * | 50.2 | 121.8 | 116.2 | -148.6 | -115.6 | 0 | 0 | 0 | 120.7 | |||||
| 74 | L | 31.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -167 | 165.8 | 116.4 | -102.3 | 170.7 | 0 | 0 | 0 | 113.8 | |||||
| 75 | K | 29.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 70% | 0.7 | 80% | 0.799 | S | S | * | * | trans | -103.6 | 154.8 | -154 | -59.3 | 165.3 | 173.6 | 173.7 | 0 | 115.8 | ||||
| 76 | A | 26.8 | Very low | 29.3 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -157.2 | 106.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 77 | L | 29.2 | Very low | 29.3 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | 70.8 | 116.6 | 82.1 | -118.3 | 83 | 0 | 0 | 0 | 116.8 | |||||
| 78 | R | 29 | Very low | 29.3 | Very low | 241 Ų | 241 | 130.5 Ų | 130.5 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | 176.1 | 123.2 | 115 | -175.2 | 174.9 | -62.9 | -111.1 | 2.3 | 113.8 | |||||
| 79 | G | 27.5 | Very low | 29.2 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | 79.2 | 152.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 80 | T | 32.6 | Very low | 29.1 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | cis | -161.1 | 143 | -13 | -16.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 81 | T | 31.7 | Very low | 28.9 | Very low | 142 Ų | 142 | 132 Ų | 132 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | trans | 65 | 139 | 158.4 | -29.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 82 | G | 28.1 | Very low | 28.8 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | 170 | -8.5 | 162 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 83 | Q | 30.9 | Very low | 28.7 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 64.4 | 165.5 | 176.7 | -64.3 | 174.8 | 95.2 | 0 | 0 | 116.4 | ||||
| 84 | Q | 28.1 | Very low | 28.8 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | cis | -173 | 150.5 | -34.6 | 169 | 160 | -43.7 | 0 | 0 | 109 | ||||
| 85 | L | 28.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 155.7 | 174.5 | -69.5 | 154.6 | 0 | 0 | 0 | 114.7 | ||||
| 86 | S | 31.5 | Very low | 29.3 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -177.9 | 156.5 | -17.5 | 51.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 87 | C | 26.6 | Very low | 29.5 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | cis | -172.5 | 147.8 | -11 | -105 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 88 | Q | 28.7 | Very low | 29.4 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 64.6 | 157.5 | 141.2 | -64.2 | -178.9 | 69.6 | 0 | 0 | 118.6 | ||||
| 89 | T | 27.4 | Very low | 29.9 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | cis | -159.6 | 151.9 | -9.4 | 14.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 90 | D | 25.5 | Very low | 29.8 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 56.4 | 160.6 | 139.1 | -59.7 | -22.7 | 0 | 0 | 0 | 125.2 | ||||
| 91 | G | 25.9 | Very low | 29.6 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 100.1 | 91.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 92 | R | 28.4 | Very low | 29.3 | Very low | 233 Ų | 233 | 128 Ų | 128 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | cis | 96 | 111.4 | 40 | -172.9 | -172 | -83.1 | -121.4 | 6 | 113.9 | ||||
| 93 | C | 26.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 77.7 | 128.7 | 152.8 | -72.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 94 | S | 29.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 81.8 | 135.1 | 134.3 | -59.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 95 | A | 31.3 | Very low | 29.6 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -91.4 | 170.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 96 | P | 41.7 | Very low | 29.8 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -152.8 | 170.6 | 100.4 | 38.4 | -20.1 | 0 | 0 | 0 | 117.1 | |||||
| 97 | L | 31.5 | Very low | 29.9 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | 33.3 | 126.7 | 146.3 | -56 | 165.1 | 0 | 0 | 0 | 119.4 | ||||
| 98 | G | 26.5 | Very low | 30.4 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | 92.7 | 159.1 | 63.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 99 | P | 39.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -135.3 | -170.9 | -4.7 | 44.6 | -26.4 | 0 | 0 | 0 | 115.5 | ||||
| 100 | C | 25.3 | Very low | 31.6 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 24.2 | 148.8 | 142.7 | -66.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 101 | R | 29.3 | Very low | 32.4 | Very low | 212 Ų | 212 | 130.1 Ų | 130.1 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | cis | -172.1 | 153.2 | 5.9 | -125.4 | 176.7 | 70.4 | 170.3 | 6 | 111.5 | ||||
| 102 | S | 25.7 | Very low | 33.1 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 47.1 | 141.8 | 149.7 | 54.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 103 | A | 26.7 | Very low | 33.8 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | -172.9 | -168 | -8.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 104 | T | 29.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | cis | -160.6 | 144.8 | 8.9 | -28.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | E | 35.9 | Very low | 35.5 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -155.8 | 170 | 141.6 | -129.5 | -177.8 | 136 | 0 | 0 | 111.6 | ||||
| 106 | E | 34.1 | Very low | 35.8 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -83.1 | 178 | -157.6 | -99.9 | -71.6 | 147.7 | 0 | 0 | 117.4 | ||||
| 107 | A | 34.2 | Very low | 36 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 97.5 | 159 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 108 | D | 35.5 | Very low | 36.3 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -53.4 | 144.1 | 146.7 | -72.5 | -71.3 | 0 | 0 | 0 | 112.2 | ||||
| 109 | T | 37.8 | Very low | 37.3 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | 176.2 | 152.8 | 108 | 30.5 | 0 | 0 | 0 | 0 | 113.7 | P111 | T109-P111 WeakPolarHBondContact O-CD 3.37Š| |||
| 110 | V | 44.5 | Very low | 37.2 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -79 | 123.8 | -179.9 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | N112 | V110-N112 PolarHBondContact O-N 3.12Š| ||
| 111 | P | 41.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -74.5 | 91.6 | 173.9 | -15.3 | 31.2 | 0 | 0 | 0 | 111.8 | T109 V113 | T109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-V113 HydrophobicContact CB-CG2 4.39Å; P111-V113 PolarHBondContact O-N 2.63Å | ||
| 112 | N | 41.9 | Very low | 39.3 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -81.6 | 81.6 | 179.6 | -155.8 | -7.6 | 0 | 0 | 0 | 110.9 | V110 W114 | V110-N112 PolarHBondContact O-N 3.12Å; N112-W114 PolarHBondContact O-N 3.49Å; N112-W114 VanDerWaalsContact O-N 3.07Å | ||
| 113 | V | 43.1 | Very low | 40.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 89.2 | -170.8 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | P111 T115 | P111-V113 HydrophobicContact CB-CG2 4.39Å; P111-V113 PolarHBondContact O-N 2.63Å; V113-T115 HydrophobicContact CG1-CG2 4.04Å | ||
| 114 | W | 37.8 | Very low | 42.1 | Very low | 231 Ų | 231 | 146.3 Ų | 146.3 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -106.4 | 85 | 161.3 | -80.3 | 64.2 | 0 | 0 | 0 | 109.9 | N112 V116 | N112-W114 PolarHBondContact O-N 3.49Å; N112-W114 VanDerWaalsContact O-N 3.07Å; W114-V116 PolarHBondContact O-N 3.1Å | ||
| 115 | T | 51.7 | Low | 42.9 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 103.4 | -179.2 | 32.2 | 0 | 0 | 0 | 0 | 112.5 | V113 I117 | V113-T115 HydrophobicContact CG1-CG2 4.04Å; T115-I117 PolarHBondContact O-N 3.12Å; T115-I117 VanDerWaalsContact O-N 3.1Å | ||
| 116 | V | 38.8 | Very low | 44 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 103.4 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | W114 K118 | W114-V116 PolarHBondContact O-N 3.1Å; V116-K118 PolarHBondContact O-N 3.45Å | ||
| 117 | I | 46.3 | Very low | 44.4 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -71.7 | 111.2 | 175.6 | -57 | 177.6 | 0 | 0 | 0 | 109.3 | T115 | T115-I117 PolarHBondContact O-N 3.12Å; T115-I117 VanDerWaalsContact O-N 3.1Å | ||
| 118 | K | 37.6 | Very low | 44.9 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -72 | 143.7 | 168.6 | -71.7 | -176.2 | 177.3 | 178.4 | 0 | 110.1 | V116 G120 | V116-K118 PolarHBondContact O-N 3.45Å; K118-G120 VanDerWaalsContact C-N 3.26Å; K118-G120 PolarHBondContact O-N 3.08Å | ||
| 119 | P | 47.8 | Very low | 45.2 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 75.3 | 179.1 | 31 | -35.6 | 0 | 0 | 0 | 112.1 | ||||
| 120 | G | 36.1 | Very low | 45.3 | Very low | 59 Ų | 59 | 146 Ų | 146 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | -78 | 139.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K118 V122 | K118-G120 VanDerWaalsContact C-N 3.26Å; K118-G120 PolarHBondContact O-N 3.08Å; G120-V122 PolarHBondContact O-N 3.29Å | ||
| 121 | H | 49.4 | Very low | 45 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -84 | 75.6 | -168.2 | -162.8 | 98.1 | 0 | 0 | 0 | 112.9 | ||||
| 122 | V | 48.7 | Very low | 44.9 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | trans | -129 | 133.3 | 174.8 | -155.6 | 0 | 0 | 0 | 0 | 111.3 | G120 E124 | G120-V122 PolarHBondContact O-N 3.29Å; V122-E124 HydrophobicContact CB-CG 4.28Å; V122-E124 HydrophobicContact CG1-CG 3.72Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.23Å; V122-E124 PolarHBondContact O-N 3.14Å | ||
| 123 | R | 54.5 | Low | 44.6 | Very low | 239 Ų | 239 | 147 Ų | 147 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -93.6 | 66.8 | -177.3 | -69.8 | 178.8 | 64.4 | -154.6 | 2.2 | 111.8 | ||||
| 124 | E | 56.9 | Low | 44.1 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -92.3 | 132.1 | 179.7 | -57.5 | -166.8 | -176.7 | 0 | 0 | 111.8 | V122 | V122-E124 HydrophobicContact CB-CG 4.28Å; V122-E124 HydrophobicContact CG1-CG 3.72Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.23Å; V122-E124 PolarHBondContact O-N 3.14Å | ||
| 125 | K | 47.7 | Very low | 43.8 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -92.1 | 97 | 174.5 | -77 | -172.2 | 173.7 | -172.4 | 0 | 109.2 | A127 | K125-A127 PolarHBondContact O-N 2.98Š| ||
| 126 | I | 57.9 | Low | 43 | Very low | 152 Ų | 152 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -69.2 | 117.3 | 170.1 | -56.1 | 177 | 0 | 0 | 0 | 108.3 | I128 | I126-I128 HydrophobicContact CG2-CG1 4.3Š| ||
| 127 | A | 43.4 | Very low | 42.6 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -99.5 | 120.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | K125 F129 | K125-A127 PolarHBondContact O-N 2.98Å; A127-F129 HydrophobicContact CB-CD2 4.3Å; A127-F129 HydrophobicContact CB-CE2 3.77Å | ||
| 128 | I | 43.9 | Very low | 41.9 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -92 | 112.3 | 178 | -57 | 174.8 | 0 | 0 | 0 | 107.9 | I126 | I126-I128 HydrophobicContact CG2-CG1 4.3Š| ||
| 129 | F | 41 | Very low | 41.8 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -104.8 | 122.8 | 168.5 | -68.8 | -84.6 | 0 | 0 | 0 | 108.7 | A127 | A127-F129 HydrophobicContact CB-CD2 4.3Å; A127-F129 HydrophobicContact CB-CE2 3.77Å | ||
| 130 | A | 41 | Very low | 41.7 | Very low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -81.1 | 126.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | E132 | A130-E132 PolarHBondContact O-N 3.5Š| ||
| 131 | S | 38.6 | Very low | 41.6 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -86.8 | 102.3 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | A133 | S131-A133 PolarHBondContact O-N 3.25Š| ||
| 132 | E | 39.7 | Very low | 40.6 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -78.1 | 102.5 | 169.5 | -171.7 | 163.8 | -157.9 | 0 | 0 | 109.4 | A130 C134 | A130-E132 PolarHBondContact O-N 3.5Å; E132-C134 PolarHBondContact O-N 3.44Å | ||
| 133 | A | 35 | Very low | 40.4 | Very low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -90.3 | 88.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S131 | S131-A133 PolarHBondContact O-N 3.25Š| ||
| 134 | C | 32.7 | Very low | 39.5 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 140 | 167.9 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | E132 | E132-C134 PolarHBondContact O-N 3.44Š| ||
| 135 | A | 31.6 | Very low | 38.4 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -130.2 | 110.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 136 | N | 34.4 | Very low | 37.5 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | 69.6 | 120 | 89.7 | -60 | -20.1 | 0 | 0 | 0 | 112 | |||||
| 137 | G | 31 | Very low | 36.4 | Very low | 73 Ų | 73 | 126.2 Ų | 126.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -177.9 | -169.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 138 | S | 31.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -177.7 | 121.2 | -14.1 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 139 | T | 34.4 | Very low | 35.6 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | 59.3 | 174.4 | 158.6 | 30.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 140 | P | 46.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -117.1 | 167.5 | -17.6 | 30.8 | -10.9 | 0 | 0 | 0 | 112.7 | ||||
| 141 | L | 34.2 | Very low | 34.6 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | -172.5 | 163.3 | 73.8 | -84 | 163.4 | 0 | 0 | 0 | 110.3 | |||||
| 142 | G | 29.4 | Very low | 34.3 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -100.2 | -150.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 143 | P | 42.5 | Very low | 33.9 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -146.7 | -174.1 | 9.5 | 42.8 | -22.4 | 0 | 0 | 0 | 117.7 | ||||
| 144 | L | 37.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 74.7 | 143 | 160.1 | -61.4 | -179.6 | 0 | 0 | 0 | 118.4 | ||||
| 145 | R | 33.8 | Very low | 34.1 | Very low | 227 Ų | 227 | 135.1 Ų | 135.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | cis | -142.8 | 143.2 | 1.2 | -57.1 | 178.8 | 179.7 | -178.6 | -1.2 | 111.9 | ||||
| 146 | A | 29.1 | Very low | 34.3 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -164.9 | 145.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 147 | V | 33.1 | Very low | 34.2 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -122.3 | 137 | -152.8 | 174.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 148 | K | 30.8 | Very low | 34.3 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 67.4 | 129 | 161.5 | -83.5 | 175.6 | 174.5 | 178.2 | 0 | 120.5 | ||||
| 149 | A | 41 | Very low | 34.6 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -110.9 | -178.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 150 | K | 32.5 | Very low | 34.6 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | 170.7 | 146.2 | 127.7 | -175.1 | 162.8 | -176.5 | 176.4 | 0 | 113.3 | |||||
| 151 | G | 27.9 | Very low | 34.1 | Very low | 67 Ų | 67 | 149.7 Ų | 149.7 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 99.1 | 108.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 152 | S | 32.9 | Very low | 34.2 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | cis | 69.4 | 106.3 | 9.2 | -178.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 153 | W | 30.9 | Very low | 34.5 | Very low | 245 Ų | 245 | 161.1 Ų | 161.1 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | -158.1 | 174.1 | 105.4 | -114.6 | 66.6 | 0 | 0 | 0 | 111.8 | |||||
| 154 | E | 34.2 | Very low | 34 | Very low | 152 Ų | 152 | 166.7 Ų | 166.7 | 71% | 0.71 | 81% | 0.813 | S | S | * | * | trans | -101.8 | 165.8 | -157.1 | -146.7 | 78.4 | -162.8 | 0 | 0 | 115.2 | ||||
| 155 | E | 37.4 | Very low | 34.1 | Very low | 124 Ų | 124 | 165.5 Ų | 165.5 | 58% | 0.579 | 82% | 0.816 | S | S | * | * | trans | 53.1 | 151.1 | 154.3 | -90.9 | -162.9 | 149.3 | 0 | 0 | 120 | R157 | E155-R157 IonicContact OE1-CZ 2.67Å; E155-R157 IonicContact OE1-NE 3.25Å; E155-R157 PolarHBondContact OE1-NE 3.03Å; E155-R157 VanDerWaalsContact OE1-NE 3.11Å; E155-R157 IonicContact OE1-NH2 3.03Å; E155-R157 PolarHBondContact OE1-NH2 2.99Å | ||
| 156 | N | 35 | Very low | 33.9 | Very low | 127 Ų | 127 | 162.7 Ų | 162.7 | 68% | 0.679 | 82% | 0.817 | S | S | * | * | cis | -150.3 | -175.7 | 33.5 | -139.2 | -57.1 | 0 | 0 | 0 | 114.6 | ||||
| 157 | R | 33.2 | Very low | 34.1 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | -92.4 | 156.1 | -164.4 | -50.4 | 156.9 | -158.3 | -166.2 | 3.9 | 112.8 | E155 | E155-R157 IonicContact OE1-CZ 2.67Å; E155-R157 IonicContact OE1-NE 3.25Å; E155-R157 PolarHBondContact OE1-NE 3.03Å; E155-R157 VanDerWaalsContact OE1-NE 3.11Å; E155-R157 IonicContact OE1-NH2 3.03Å; E155-R157 PolarHBondContact OE1-NH2 2.99Å | ||
| 158 | S | 34 | Very low | 33.8 | Very low | 131 Ų | 131 | 162.7 Ų | 162.7 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -165.5 | 135.1 | 137.7 | -91.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 159 | A | 36.6 | Very low | 34 | Very low | 103 Ų | 103 | 161 Ų | 161 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -128.8 | 130.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 160 | K | 35.2 | Very low | 33.4 | Very low | 196 Ų | 196 | 162 Ų | 162 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -149.6 | 93.3 | 172.8 | -143.1 | 155.6 | -172.3 | 170.3 | 0 | 115.6 | ||||
| 161 | R | 34.7 | Very low | 33.3 | Very low | 223 Ų | 223 | 161.1 Ų | 161.1 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | 58.8 | 112.1 | 122.1 | -157.7 | -175.6 | -154.1 | -145.8 | 9 | 119.1 | |||||
| 162 | R | 36.3 | Very low | 33.3 | Very low | 230 Ų | 230 | 165.4 Ų | 165.4 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 18.9 | 134.5 | 145 | -60.4 | 179.1 | 178.7 | 179.2 | -0.5 | 118.9 | ||||
| 163 | R | 35.2 | Very low | 33.4 | Very low | 252 Ų | 252 | 169.2 Ų | 169.2 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | -149.3 | 166.4 | 119.6 | -107.7 | 171.1 | -152.1 | -100.7 | 6 | 111.1 | |||||
| 164 | R | 33.2 | Very low | 33.4 | Very low | 230 Ų | 230 | 162.8 Ų | 162.8 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -109.2 | 164.3 | -178.3 | -78.7 | -173 | -88 | -160.2 | -3.5 | 110.3 | ||||
| 165 | C | 38.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 163.3 Ų | 163.3 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -59.5 | 141.5 | 173.9 | -45.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 166 | L | 30.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 169.2 Ų | 169.2 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -164.4 | 154.5 | 157.4 | -86.3 | 125 | 0 | 0 | 0 | 104 | ||||
| 167 | S | 31.4 | Very low | 32.8 | Very low | 86 Ų | 86 | 167.3 Ų | 167.3 | 60% | 0.601 | 81% | 0.805 | S | S | * | * | cis | 159.6 | 114.4 | -14 | 166.9 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 168 | N | 28.5 | Very low | 32.5 | Very low | 144 Ų | 144 | 166 Ų | 166 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 42 | 120.3 | 158.9 | -53.7 | -9.9 | 0 | 0 | 0 | 119.8 | ||||
| 169 | Q | 34.2 | Very low | 32.4 | Very low | 168 Ų | 168 | 165.9 Ų | 165.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 165.3 | 149.4 | 102.9 | -85.8 | -152.1 | 45.1 | 0 | 0 | 112.5 | |||||
| 170 | N | 28.1 | Very low | 32.1 | Very low | 118 Ų | 118 | 168.8 Ų | 168.8 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | trans | 30.1 | 128 | 151.4 | -73.2 | -54.5 | 0 | 0 | 0 | 120.9 | ||||
| 171 | H | 31.1 | Very low | 31.7 | Very low | 197 Ų | 197 | 165.4 Ų | 165.4 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | -138.6 | 128.6 | 110.1 | -119.3 | -78.2 | 0 | 0 | 0 | 111.8 | |||||
| 172 | Q | 27.9 | Very low | 31.3 | Very low | 157 Ų | 157 | 162 Ų | 162 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 141.7 | 177.2 | -179.6 | -177.2 | 49.5 | 0 | 0 | 109.1 | ||||
| 173 | L | 35.7 | Very low | 31.3 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | -146.6 | 153.6 | 160.6 | -106.1 | 173.8 | 0 | 0 | 0 | 108.6 | ||||
| 174 | D | 31 | Very low | 31 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | trans | -146.1 | 168.9 | -135.3 | -173.4 | 27.8 | 0 | 0 | 0 | 113.7 | ||||
| 175 | Q | 31.5 | Very low | 30.9 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 64.9 | 113.8 | 167.3 | -70.7 | 153.8 | 62.2 | 0 | 0 | 119.1 | ||||
| 176 | R | 28.7 | Very low | 30.2 | Very low | 248 Ų | 248 | 150.3 Ų | 150.3 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | -156 | 164.6 | 96.4 | -154 | 156.1 | -179.1 | 145 | 0.3 | 111.5 | |||||
| 177 | S | 32.8 | Very low | 29.9 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | -119.1 | 158.9 | -156.5 | 50.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 178 | H | 28 | Very low | 29.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 161.9 | 108.3 | 134 | -98.9 | -94.3 | 0 | 0 | 0 | 108.4 | ||||
| 179 | I | 31.8 | Very low | 29.8 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | 73.3 | 106.7 | 70.6 | -63.4 | 171.7 | 0 | 0 | 0 | 113.9 | |||||
| 180 | L | 30.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 174.7 | 91.3 | 145.8 | -96 | 170.8 | 0 | 0 | 0 | 106.8 | ||||
| 181 | T | 24.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | 85.8 | 97.2 | 79.6 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 182 | E | 27.8 | Very low | 29.8 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | trans | -47.6 | 168.7 | 160.9 | -80 | -66.2 | 131.6 | 0 | 0 | 114.6 | E184 | E182-E184 PolarHBondContact OE2-N 2.96Š| ||
| 183 | P | 36.2 | Very low | 29.9 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -150.9 | 159.6 | 39 | 42.6 | -21.2 | 0 | 0 | 0 | 122.9 | ||||
| 184 | E | 28.2 | Very low | 29.8 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -59.2 | 142.7 | 154.4 | -111 | -77.9 | 128 | 0 | 0 | 115.4 | E182 | E182-E184 PolarHBondContact OE2-N 2.96Š| ||
| 185 | P | 30.4 | Very low | 30 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -107.3 | 87.5 | 168.6 | 37.2 | -27.6 | 0 | 0 | 0 | 113.7 | ||||
| 186 | R | 24.7 | Very low | 30 | Very low | 215 Ų | 215 | 137.7 Ų | 137.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -19.8 | 143.2 | 166.3 | -49.6 | 173.9 | -174.9 | 178.7 | -0 | 118 | ||||
| 187 | C | 25.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | trans | -56.2 | 146.9 | 151 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 188 | S | 30.6 | Very low | 30.2 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 148.4 | 175 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 189 | E | 26.6 | Very low | 30.8 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -87 | 172.5 | -172.1 | -59.7 | 163.3 | 99.7 | 0 | 0 | 113.5 | ||||
| 190 | G | 25.5 | Very low | 30.9 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -151.9 | 105.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 191 | P | 36.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -124.6 | 151.7 | 141 | 36.6 | -28.7 | 0 | 0 | 0 | 110.9 | ||||
| 192 | G | 31.1 | Very low | 31.9 | Very low | 82 Ų | 82 | 131 Ų | 131 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -101.2 | 160 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 193 | G | 30.4 | Very low | 32.1 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 98.2 | 74.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 194 | Q | 34.4 | Very low | 31.8 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 72.3 | 114.8 | 137.8 | -59.8 | 178.1 | 105.2 | 0 | 0 | 120.8 | ||||
| 195 | H | 33.7 | Very low | 32.4 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | 49.3 | 124.1 | 134.9 | -63.7 | -81.1 | 0 | 0 | 0 | 122.3 | ||||
| 196 | G | 31.4 | Very low | 32.7 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | 141.7 | 107.8 | 130 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 197 | E | 27.3 | Very low | 33.5 | Very low | 208 Ų | 208 | 121.8 Ų | 121.8 | 97% | 0.972 | 80% | 0.803 | S | S | * | * | trans | 58.6 | 166.3 | 157.8 | -89.4 | 174.1 | 93 | 0 | 0 | 120.8 | ||||
| 198 | A | 39.8 | Very low | 34 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -140.7 | 145.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 199 | P | 40.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -145.1 | 169.1 | 78.4 | 39.2 | -22.9 | 0 | 0 | 0 | 116.1 | |||||
| 200 | E | 33.8 | Very low | 35.7 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -50.9 | 152.9 | 156.4 | -82.5 | -76.4 | 138.8 | 0 | 0 | 111.6 | A202 | E200-A202 PolarHBondContact OE2-N 2.73Š| ||
| 201 | P | 45.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | -146.6 | 169.9 | 38.5 | 42.7 | -23.7 | 0 | 0 | 0 | 120.4 | ||||
| 202 | A | 30.4 | Very low | 37.7 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | trans | 102.2 | 146.4 | 138 | 0 | 0 | 0 | 0 | 0 | 122.1 | E200 | E200-A202 PolarHBondContact OE2-N 2.73Š| ||
| 203 | S | 31.1 | Very low | 38.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 87.4 | 27.2 | 147.5 | 69.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 204 | G | 30 | Very low | 40.1 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 58.6 | -157.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 205 | P | 41.3 | Very low | 42.3 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | cis | -105.8 | -179.6 | -10.4 | 40.9 | -31.8 | 0 | 0 | 0 | 113.5 | ||||
| 206 | S | 37.5 | Very low | 44.4 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 142.2 | -178.8 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 207 | P | 41.7 | Very low | 46.7 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 140.9 | 156.7 | 31 | -33 | 0 | 0 | 0 | 110.1 | ||
| 208 | T | 35.8 | Very low | 49.5 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 157.3 | -175.7 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | E210 | T208-E210 PolarHBondContact O-N 2.77Š|
| 209 | E | 45.4 | Very low | 51.7 | Low | 193 Ų | 193 | 125.3 Ų | 125.3 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 126 | 174.2 | -59.8 | 167.7 | 138.4 | 0 | 0 | 112.1 | E211 | E209-E211 PolarHBondContact O-N 2.85Š|
| 210 | E | 46.2 | Very low | 53.9 | Low | 172 Ų | 172 | 123.2 Ų | 123.2 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -78.8 | 105.2 | 171.5 | -66.6 | -166.5 | 147.6 | 0 | 0 | 110 | T208 Q212 | T208-E210 PolarHBondContact O-N 2.77Å; E210-Q212 VanDerWaalsContact C-N 3.27Å; E210-Q212 PolarHBondContact O-N 3.06Å | ||
| 211 | E | 46.8 | Very low | 56.3 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -63.5 | 89.1 | 164.8 | -74.9 | -170.9 | 137.6 | 0 | 0 | 109.6 | E209 K213 | E209-E211 PolarHBondContact O-N 2.85Å; E211-K213 PolarHBondContact O-N 3.12Å | ||
| 212 | Q | 57.1 | Low | 58 | Low | 157 Ų | 157 | 117.2 Ų | 117.2 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -60.6 | 107.2 | 171.7 | -73.8 | -175 | -18.1 | 0 | 0 | 109.5 | E210 I214 | E210-Q212 VanDerWaalsContact C-N 3.27Å; E210-Q212 PolarHBondContact O-N 3.06Å; Q212-I214 PolarHBondContact O-N 3.23Å | ||
| 213 | K | 49.5 | Very low | 60.6 | Low | 186 Ų | 186 | 118.5 Ų | 118.5 | 81% | 0.809 | 67% | 0.667 | S | S | * | * | trans | -79.6 | 72.5 | 179.2 | -70.1 | 163.6 | -169.6 | 159.7 | 0 | 109.7 | E211 S215 | E211-K213 PolarHBondContact O-N 3.12Å; K213-S215 PolarHBondContact O-N 2.95Å; K213-S215 VanDerWaalsContact O-N 3.11Å | ||
| 214 | I | 62.8 | Low | 63.2 | Low | 91 Ų | 91 | 119 Ų | 119 | 47% | 0.467 | 66% | 0.656 | S | S | . | * | trans | -47.6 | 118.3 | 177.4 | -63.3 | 162.4 | 0 | 0 | 0 | 108.8 | Q212 E218 M219 | Q212-I214 PolarHBondContact O-N 3.23Å; I214-E218 WeakPolarHBondContact CA-OE2 3.49Å; I214-E218 HydrophobicContact CG2-CB 4.15Å; I214-E218 HydrophobicContact CG2-CG 4.1Å; I214-M219 HydrophobicContact CG2-CB 4.06Å; I214-M219 HydrophobicContact CG2-CE 4.25Å; I214-M219 HydrophobicContact CG2-SD 4.41Å | ||
| 215 | S | 80.1 | Confident | 65.6 | Low | 59 Ų | 59 | 120.6 Ų | 120.6 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | trans | -66.1 | 154.2 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | K213 V217 E218 M219 | K213-S215 PolarHBondContact O-N 2.95Å; K213-S215 VanDerWaalsContact O-N 3.11Å; S215-V217 PolarHBondContact O-N 3.47Å; S215-V217 PolarHBondContact OG-N 3.27Å; S215-E218 PolarHBondContact N-OE2 3.01Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 3.11Å; S215-M219 WeakPolarHBondContact O-CB 3.45Å; S215-M219 PolarHBondContact O-N 3.38Å | ||
| 216 | V | 78.4 | Confident | 67.2 | Low | 119 Ų | 119 | 121 Ų | 121 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.9 | -36.9 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | E218 V220 | V216-E218 VanDerWaalsContact C-N 3.34Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 VanDerWaalsContact O-CG2 3.27Å; V216-V220 WeakPolarHBondContact O-CG2 3.42Å; V216-V220 PolarHBondContact O-N 3.47Å |
| 217 | V | 80.5 | Confident | 68.6 | Low | 113 Ų | 113 | 120.9 Ų | 120.9 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.3 | -38.8 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | S215 V220 A221 | S215-V217 PolarHBondContact O-N 3.47Å; S215-V217 PolarHBondContact OG-N 3.27Å; V217-V220 PolarHBondContact O-N 2.88Å; V217-A221 WeakPolarHBondContact O-CB 3.44Å; V217-A221 PolarHBondContact O-N 2.9Å |
| 218 | E | 84.8 | Confident | 69.7 | Low | 108 Ų | 108 | 118.3 Ų | 118.3 | 51% | 0.505 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.4 | -38.2 | -178.8 | -173.5 | 176.2 | -151.1 | 0 | 0 | 111.6 | I214 S215 V216 A221 F222 | I214-E218 WeakPolarHBondContact CA-OE2 3.49Å; I214-E218 HydrophobicContact CG2-CB 4.15Å; I214-E218 HydrophobicContact CG2-CG 4.1Å; S215-E218 PolarHBondContact N-OE2 3.01Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 3.11Å; V216-E218 VanDerWaalsContact C-N 3.34Å; E218-A221 PolarHBondContact O-N 2.89Å; E218-F222 VanDerWaalsContact O-CB 3.25Å; E218-F222 WeakPolarHBondContact O-CB 3.44Å; E218-F222 PolarHBondContact O-N 3.41Å |
| 219 | M | 86.3 | Confident | 71.1 | Confident | 98 Ų | 98 | 117.9 Ų | 117.9 | 48% | 0.483 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.3 | -42.4 | 170 | -169.8 | 95 | 67.1 | 0 | 0 | 111.5 | I214 S215 L223 | I214-M219 HydrophobicContact CG2-CB 4.06Å; I214-M219 HydrophobicContact CG2-CE 4.25Å; I214-M219 HydrophobicContact CG2-SD 4.41Å; S215-M219 WeakPolarHBondContact O-CB 3.45Å; S215-M219 PolarHBondContact O-N 3.38Å; M219-L223 VanDerWaalsContact O-CG 3.29Å; M219-L223 WeakPolarHBondContact O-CG 3.27Å; M219-L223 PolarHBondContact O-N 2.87Å |
| 220 | V | 87.5 | Confident | 71.5 | Confident | 81 Ų | 81 | 115.6 Ų | 115.6 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.1 | -47.9 | 175.4 | 168 | 0 | 0 | 0 | 0 | 110.6 | V216 V217 F222 L223 E224 | V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 VanDerWaalsContact O-CG2 3.27Å; V216-V220 WeakPolarHBondContact O-CG2 3.42Å; V216-V220 PolarHBondContact O-N 3.47Å; V217-V220 PolarHBondContact O-N 2.88Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 2.9Å; V220-L223 PolarHBondContact O-N 3.44Å; V220-L223 VanDerWaalsContact O-N 3.15Å; V220-E224 WeakPolarHBondContact O-CB 3.46Å; V220-E224 PolarHBondContact O-N 3.45Å |
| 221 | A | 84.2 | Confident | 71.6 | Confident | 49 Ų | 49 | 112.5 Ų | 112.5 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.5 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V217 E218 E224 Q225 | V217-A221 WeakPolarHBondContact O-CB 3.44Å; V217-A221 PolarHBondContact O-N 2.9Å; E218-A221 PolarHBondContact O-N 2.89Å; A221-E224 PolarHBondContact O-N 3Å; A221-Q225 WeakPolarHBondContact O-CB 3.33Å; A221-Q225 PolarHBondContact O-N 2.91Å |
| 222 | F | 80.7 | Confident | 71.5 | Confident | 105 Ų | 105 | 108.8 Ų | 108.8 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.6 | -36.2 | 176.1 | -175.2 | -100.2 | 0 | 0 | 0 | 112.8 | E218 V220 R226 | E218-F222 VanDerWaalsContact O-CB 3.25Å; E218-F222 WeakPolarHBondContact O-CB 3.44Å; E218-F222 PolarHBondContact O-N 3.41Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 2.9Å; F222-R226 VanDerWaalsContact CZ-NE 3.34Å; F222-R226 WeakPolarHBondContact O-CB 3.34Å; F222-R226 WeakPolarHBondContact O-CG 3.43Å; F222-R226 PolarHBondContact O-N 3.14Å |
| 223 | L | 85.8 | Confident | 70.7 | Confident | 106 Ų | 106 | 108.9 Ų | 108.9 | 56% | 0.555 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.8 | -42.2 | 173.6 | -72.5 | 169.3 | 0 | 0 | 0 | 111.8 | M219 V220 R226 V227 | M219-L223 VanDerWaalsContact O-CG 3.29Å; M219-L223 WeakPolarHBondContact O-CG 3.27Å; M219-L223 PolarHBondContact O-N 2.87Å; V220-L223 PolarHBondContact O-N 3.44Å; V220-L223 VanDerWaalsContact O-N 3.15Å; L223-R226 PolarHBondContact O-N 2.82Å; L223-V227 WeakPolarHBondContact O-CG2 3.43Å; L223-V227 PolarHBondContact O-N 3.29Å |
| 224 | E | 85.1 | Confident | 70.4 | Confident | 132 Ų | 132 | 106.8 Ų | 106.8 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.2 | -40.3 | 177.4 | -174 | 168.2 | -156.5 | 0 | 0 | 112.2 | V220 A221 V227 S228 | V220-E224 WeakPolarHBondContact O-CB 3.46Å; V220-E224 PolarHBondContact O-N 3.45Å; A221-E224 PolarHBondContact O-N 3Å; E224-V227 PolarHBondContact O-N 2.82Å; E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 3.06Å; E224-S228 PolarHBondContact O-OG 3.21Å |
| 225 | Q | 80.5 | Confident | 69.1 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -47 | 170 | 179.3 | 173.3 | -12.8 | 0 | 0 | 110.8 | A221 V227 S228 E229 | A221-Q225 WeakPolarHBondContact O-CB 3.33Å; A221-Q225 PolarHBondContact O-N 2.91Å; Q225-V227 VanDerWaalsContact C-N 3.33Å; Q225-V227 PolarHBondContact O-N 3.49Å; Q225-S228 CarbonylContact O-C 3.34Å; Q225-S228 WeakPolarHBondContact O-CA 3.47Å; Q225-S228 WeakPolarHBondContact O-CB 3.46Å; Q225-S228 PolarHBondContact O-N 2.89Å; Q225-S228 VanDerWaalsContact O-N 3.08Å; Q225-E229 HydrophobicContact CG-CG 4.3Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.38Å; Q225-E229 PolarHBondContact NE2-OE1 3.06Å; Q225-E229 WeakPolarHBondContact O-CB 3.44Å; Q225-E229 WeakPolarHBondContact O-CG 3.25Å; Q225-E229 PolarHBondContact O-N 2.94Å |
| 226 | R | 73.6 | Confident | 67.6 | Low | 139 Ų | 139 | 114.9 Ų | 114.9 | 53% | 0.525 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.3 | -33.4 | 176 | -81.8 | -173.1 | 168.3 | -162.5 | -1.8 | 113.8 | F222 L223 S228 L230 | F222-R226 VanDerWaalsContact CZ-NE 3.34Å; F222-R226 WeakPolarHBondContact O-CB 3.34Å; F222-R226 WeakPolarHBondContact O-CG 3.43Å; F222-R226 PolarHBondContact O-N 3.14Å; L223-R226 PolarHBondContact O-N 2.82Å; R226-S228 VanDerWaalsContact C-N 3.3Å; R226-L230 WeakPolarHBondContact O-CB 3.44Å; R226-L230 WeakPolarHBondContact O-CD1 3.23Å; R226-L230 VanDerWaalsContact O-CG 3.24Å; R226-L230 WeakPolarHBondContact O-CG 3.3Å; R226-L230 PolarHBondContact O-N 3.47Å |
| 227 | V | 67.9 | Low | 65.4 | Low | 94 Ų | 94 | 116.3 Ų | 116.3 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.9 | -35.5 | 172.6 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | L223 E224 Q225 L230 Q231 | L223-V227 WeakPolarHBondContact O-CG2 3.43Å; L223-V227 PolarHBondContact O-N 3.29Å; E224-V227 PolarHBondContact O-N 2.82Å; Q225-V227 VanDerWaalsContact C-N 3.33Å; Q225-V227 PolarHBondContact O-N 3.49Å; V227-L230 PolarHBondContact O-N 2.73Å; V227-Q231 WeakPolarHBondContact O-CB 3.38Å; V227-Q231 WeakPolarHBondContact O-CG 3.3Å; V227-Q231 PolarHBondContact O-N 3.35Å |
| 228 | S | 65.6 | Low | 63.5 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.4 | -40.2 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | E224 Q225 R226 L230 Q231 | E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 3.06Å; E224-S228 PolarHBondContact O-OG 3.21Å; Q225-S228 CarbonylContact O-C 3.34Å; Q225-S228 WeakPolarHBondContact O-CA 3.47Å; Q225-S228 WeakPolarHBondContact O-CB 3.46Å; Q225-S228 PolarHBondContact O-N 2.89Å; Q225-S228 VanDerWaalsContact O-N 3.08Å; R226-S228 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 2.81Å; S228-Q231 CarbonylContact O-C 3.28Å; S228-Q231 WeakPolarHBondContact O-CA 3.18Å; S228-Q231 PolarHBondContact O-N 3.48Å |
| 229 | E | 63.3 | Low | 60.9 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 54% | 0.542 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.9 | -16.4 | 173.1 | -70.9 | 173.2 | -179.5 | 0 | 0 | 113.4 | Q225 P232 | Q225-E229 HydrophobicContact CG-CG 4.3Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.38Å; Q225-E229 PolarHBondContact NE2-OE1 3.06Å; Q225-E229 WeakPolarHBondContact O-CB 3.44Å; Q225-E229 WeakPolarHBondContact O-CG 3.25Å; Q225-E229 PolarHBondContact O-N 2.94Å; E229-P232 WeakPolarHBondContact O-CD 3.29Å; E229-P232 WeakPolarHBondContact O-CG 3.4Å |
| 230 | L | 54.3 | Low | 58.7 | Low | 145 Ų | 145 | 122.7 Ų | 122.7 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -4.8 | 166.7 | -73.1 | 167 | 0 | 0 | 0 | 113.4 | R226 V227 S228 | R226-L230 WeakPolarHBondContact O-CB 3.44Å; R226-L230 WeakPolarHBondContact O-CD1 3.23Å; R226-L230 VanDerWaalsContact O-CG 3.24Å; R226-L230 WeakPolarHBondContact O-CG 3.3Å; R226-L230 PolarHBondContact O-N 3.47Å; V227-L230 PolarHBondContact O-N 2.73Å; S228-L230 PolarHBondContact O-N 2.81Å |
| 231 | Q | 47.9 | Very low | 56.1 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 51% | 0.505 | 66% | 0.658 | S | S | . | * | trans | -109.9 | 25.7 | 174.5 | -77.1 | -71.9 | -7.4 | 0 | 0 | 116.7 | V227 S228 N233 | V227-Q231 WeakPolarHBondContact O-CB 3.38Å; V227-Q231 WeakPolarHBondContact O-CG 3.3Å; V227-Q231 PolarHBondContact O-N 3.35Å; S228-Q231 CarbonylContact O-C 3.28Å; S228-Q231 WeakPolarHBondContact O-CA 3.18Å; S228-Q231 PolarHBondContact O-N 3.48Å; Q231-N233 PolarHBondContact O-N 3.13Å | ||
| 232 | P | 45.6 | Very low | 53.6 | Low | 94 Ų | 94 | 133.2 Ų | 133.2 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 57.7 | -178.4 | 37.1 | -38.3 | 0 | 0 | 0 | 112 | E229 | E229-P232 WeakPolarHBondContact O-CD 3.29Å; E229-P232 WeakPolarHBondContact O-CG 3.4Å |
| 233 | N | 39.3 | Very low | 51.4 | Low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.7 | 6.9 | 160.7 | -100.8 | -40.2 | 0 | 0 | 0 | 116.1 | Q231 | Q231-N233 PolarHBondContact O-N 3.13Š|
| 234 | L | 43.2 | Very low | 48.9 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -112.9 | 66.4 | 174.1 | -69 | -179.2 | 0 | 0 | 0 | 112.6 | ||||
| 235 | K | 35.6 | Very low | 46.4 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -78.9 | 131.2 | 162.6 | -75.9 | -175.9 | 176.8 | 178.2 | 0 | 109.8 | L237 | K235-L237 PolarHBondContact O-N 3.1Š| ||
| 236 | P | 49.7 | Very low | 44 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | -77.2 | 111.3 | 179.2 | 30.2 | -33.2 | 0 | 0 | 0 | 110.8 | ||||
| 237 | L | 31.2 | Very low | 42.2 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -121.9 | 100.1 | 166.2 | -79.4 | -177.5 | 0 | 0 | 0 | 111.7 | K235 S239 | K235-L237 PolarHBondContact O-N 3.1Å; L237-S239 VanDerWaalsContact C-N 3.25Å; L237-S239 PolarHBondContact O-N 2.95Å | ||
| 238 | L | 40.5 | Very low | 40.6 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 97% | 0.974 | 75% | 0.748 | S | S | * | * | trans | -72.1 | 82 | 158.5 | -69.2 | 172.9 | 0 | 0 | 0 | 109.2 | ||||
| 239 | S | 31.1 | Very low | 38.8 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -132.5 | 54.5 | 172.3 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | L237 Q241 | L237-S239 VanDerWaalsContact C-N 3.25Å; L237-S239 PolarHBondContact O-N 2.95Å; S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 2.79Å | ||
| 240 | L | 39.3 | Very low | 37.2 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 74.7 | 179.3 | -161 | 157.9 | 0 | 0 | 0 | 110.2 | ||||
| 241 | Q | 33.3 | Very low | 36 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -152.9 | 126.8 | 172.4 | -139.6 | -171.4 | 29 | 0 | 0 | 113.6 | S239 | S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 2.79Å | ||
| 242 | R | 32.6 | Very low | 35 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | 67 | 131.1 | 176 | -53.3 | -179.4 | 174.9 | 88.2 | 0.3 | 113.5 | ||||
| 243 | S | 33 | Very low | 34.6 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | cis | -138.8 | 144.5 | 17.2 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 244 | S | 33.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 152 Ų | 152 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -132.2 | 125.3 | 157.6 | -58.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 245 | T | 33 | Very low | 33.8 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -84.3 | 116.2 | -177.7 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 246 | T | 30.7 | Very low | 33.8 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | 56.3 | 103.3 | 143.6 | -45.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 247 | I | 36.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | -149.2 | 156.8 | 123.5 | -93.6 | 140.8 | 0 | 0 | 0 | 106.7 | |||||
| 248 | T | 34.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 154.2 Ų | 154.2 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | trans | -106.9 | 169.1 | -155.3 | 47 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 249 | L | 28.5 | Very low | 33 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 77.5 | 139.2 | 169.8 | -46.2 | -178.9 | 0 | 0 | 0 | 115.5 | ||||
| 250 | S | 28.5 | Very low | 33.1 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | cis | -163 | 144.2 | -10.2 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 251 | R | 29 | Very low | 33.1 | Very low | 244 Ų | 244 | 153.6 Ų | 153.6 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | 58.8 | 105.5 | 148.1 | -155.3 | 169.6 | -166.9 | 152.7 | 3 | 120.3 | ||||
| 252 | N | 28.2 | Very low | 33 | Very low | 145 Ų | 145 | 155.1 Ų | 155.1 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | -57.5 | 157.6 | 161 | -98.5 | 22.8 | 0 | 0 | 0 | 113.3 | ||||
| 253 | P | 37.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | -139 | 175.8 | 66.4 | 39.3 | -21.4 | 0 | 0 | 0 | 117.8 | |||||
| 254 | R | 29.9 | Very low | 34 | Very low | 215 Ų | 215 | 152 Ų | 152 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -115.6 | 140.5 | -172.1 | 179.8 | -162.3 | -158.9 | -172.2 | 7.4 | 109.6 | ||||
| 255 | P | 34 | Very low | 34.5 | Very low | 112 Ų | 112 | 153 Ų | 153 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -93.9 | 147.9 | 162.3 | 34.7 | -30 | 0 | 0 | 0 | 111.7 | ||||
| 256 | E | 36.5 | Very low | 35.8 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -94.2 | 136.5 | 171.1 | -60.7 | 167 | 128.2 | 0 | 0 | 109.5 | ||||
| 257 | I | 35.7 | Very low | 37.7 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -133.6 | 144.1 | 165.6 | -61.2 | -175.4 | 0 | 0 | 0 | 108.3 | ||||
| 258 | K | 32.1 | Very low | 38.9 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 166.2 | -159.1 | -57 | 175.6 | -180 | -179.5 | 0 | 114 | ||||
| 259 | E | 37.1 | Very low | 40.1 | Very low | 201 Ų | 201 | 148.6 Ų | 148.6 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -59.3 | 149 | 161.3 | -63.1 | 162 | 121.8 | 0 | 0 | 111.5 | ||||
| 260 | G | 32.4 | Very low | 42.3 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 169.3 | 111.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 261 | D | 39.5 | Very low | 44.4 | Very low | 169 Ų | 169 | 145 Ų | 145 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | 40.7 | 109.7 | 164.5 | -56 | -16.9 | 0 | 0 | 0 | 120.6 | ||||
| 262 | E | 32.1 | Very low | 46.5 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -133 | 148.2 | 148.9 | -118 | -95.9 | 120.5 | 0 | 0 | 106.8 | ||||
| 263 | P | 40.9 | Very low | 48.6 | Very low | 94 Ų | 94 | 132 Ų | 132 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | trans | -85.9 | 164.2 | -154.4 | 33.7 | -34.9 | 0 | 0 | 0 | 115 | I265 | P263-I265 PolarHBondContact O-N 2.97Š| ||
| 264 | D | 45 | Very low | 50.2 | Low | 157 Ų | 157 | 132.4 Ų | 132.4 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -55.8 | 96.5 | -179.6 | -87.3 | -47.9 | 0 | 0 | 0 | 113.7 | V266 | D264-V266 HydrophobicContact CB-CG2 4.21Å; D264-V266 PolarHBondContact O-N 3.34Å | ||
| 265 | I | 43.7 | Very low | 52.2 | Low | 146 Ų | 146 | 128 Ų | 128 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | trans | -73.9 | 80.2 | 161.5 | -55 | 178.7 | 0 | 0 | 0 | 107.7 | P263 R267 | P263-I265 PolarHBondContact O-N 2.97Å; I265-R267 PolarHBondContact O-N 3.41Å | ||
| 266 | V | 59.8 | Low | 53.8 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 62% | 0.624 | 68% | 0.68 | S | S | * | * | trans | -56.5 | 103.8 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | D264 V268 | D264-V266 HydrophobicContact CB-CG2 4.21Å; D264-V266 PolarHBondContact O-N 3.34Å; V266-V268 PolarHBondContact O-N 3Å; V266-V268 VanDerWaalsContact O-N 3.14Å | ||
| 267 | R | 70.6 | Confident | 55 | Low | 146 Ų | 146 | 125.8 Ų | 125.8 | 55% | 0.551 | 67% | 0.672 | S | S | * | * | trans | -62.8 | 119.1 | -175.5 | -52.8 | -172 | -41.3 | -55.3 | -7.7 | 109.2 | I265 S269 E270 | I265-R267 PolarHBondContact O-N 3.41Å; R267-S269 PolarHBondContact O-N 2.85Å; R267-E270 IonicContact CZ-OE2 3.21Å; R267-E270 IonicContact NH1-OE2 2.73Å; R267-E270 PolarHBondContact NH1-OE2 3.05Å; R267-E270 IonicContact NH2-OE2 3.06Å; R267-E270 PolarHBondContact NH2-OE2 3.36Å; R267-E270 WeakPolarHBondContact O-CB 3.32Å; R267-E270 PolarHBondContact O-N 3.15Å | ||
| 268 | V | 62.6 | Low | 55.7 | Low | 100 Ų | 100 | 126.2 Ų | 126.2 | 61% | 0.606 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -51.4 | -37.3 | -178.1 | -179.9 | 0 | 0 | 0 | 0 | 112 | V266 E270 M271 V272 | V266-V268 PolarHBondContact O-N 3Å; V266-V268 VanDerWaalsContact O-N 3.14Å; V268-E270 PolarHBondContact O-N 3.37Å; V268-M271 PolarHBondContact O-N 2.67Å; V268-M271 VanDerWaalsContact O-N 3.12Å; V268-V272 HydrophobicContact CG1-CG2 4.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.34Å; V268-V272 PolarHBondContact O-N 3.39Å |
| 269 | S | 58.6 | Low | 56.1 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54.3 | -35.3 | 175.1 | -40.6 | 0 | 0 | 0 | 0 | 113.9 | R267 A273 | R267-S269 PolarHBondContact O-N 2.85Å; S269-A273 WeakPolarHBondContact O-CB 3.48Å; S269-A273 PolarHBondContact O-N 3.47Å |
| 270 | E | 74.6 | Confident | 56.2 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 41% | 0.407 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -77.3 | -34.3 | 179.5 | -164.6 | 173.6 | 129.7 | 0 | 0 | 111.9 | R267 V268 A273 K274 | R267-E270 IonicContact CZ-OE2 3.21Å; R267-E270 IonicContact NH1-OE2 2.73Å; R267-E270 PolarHBondContact NH1-OE2 3.05Å; R267-E270 IonicContact NH2-OE2 3.06Å; R267-E270 PolarHBondContact NH2-OE2 3.36Å; R267-E270 WeakPolarHBondContact O-CB 3.32Å; R267-E270 PolarHBondContact O-N 3.15Å; V268-E270 PolarHBondContact O-N 3.37Å; E270-A273 PolarHBondContact O-N 2.84Å; E270-K274 WeakPolarHBondContact O-CB 3.34Å; E270-K274 PolarHBondContact O-N 2.76Å |
| 271 | M | 73.8 | Confident | 56.8 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 54% | 0.542 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 172.7 | -172.6 | 168.7 | 65.4 | 0 | 0 | 111.6 | V268 K274 L275 | V268-M271 PolarHBondContact O-N 2.67Å; V268-M271 VanDerWaalsContact O-N 3.12Å; M271-K274 WeakPolarHBondContact O-CB 3.3Å; M271-K274 PolarHBondContact O-N 2.98Å; M271-L275 WeakPolarHBondContact O-CG 3.5Å; M271-L275 PolarHBondContact O-N 3.03Å; M271-L275 VanDerWaalsContact O-N 3.14Å |
| 272 | V | 72.1 | Confident | 56.5 | Low | 65 Ų | 65 | 123.7 Ų | 123.7 | 39% | 0.394 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -61.5 | -49.6 | 172.4 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | V268 K274 L275 E276 | V268-V272 HydrophobicContact CG1-CG2 4.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.34Å; V268-V272 PolarHBondContact O-N 3.39Å; V272-K274 VanDerWaalsContact C-N 3.25Å; V272-K274 PolarHBondContact O-N 2.91Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 2.89Å; V272-E276 HydrophobicContact CG1-CG 4.4Å; V272-E276 PolarHBondContact O-N 3.19Å |
| 273 | A | 72.3 | Confident | 56.7 | Low | 50 Ų | 50 | 119.8 Ų | 119.8 | 41% | 0.413 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -58.3 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S269 E270 L275 S277 | S269-A273 WeakPolarHBondContact O-CB 3.48Å; S269-A273 PolarHBondContact O-N 3.47Å; E270-A273 PolarHBondContact O-N 2.84Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 3.37Å; A273-S277 VanDerWaalsContact O-CB 3.23Å; A273-S277 WeakPolarHBondContact O-CB 3.42Å; A273-S277 PolarHBondContact O-N 2.86Å; A273-S277 VanDerWaalsContact O-N 3.08Å; A273-S277 PolarHBondContact O-OG 3.41Å |
| 274 | K | 70.8 | Confident | 56.3 | Low | 140 Ų | 140 | 123.4 Ų | 123.4 | 61% | 0.609 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.9 | -20.4 | 174.1 | -112.1 | 167 | -178.2 | 158.1 | 0 | 114.7 | E270 M271 V272 | E270-K274 WeakPolarHBondContact O-CB 3.34Å; E270-K274 PolarHBondContact O-N 2.76Å; M271-K274 WeakPolarHBondContact O-CB 3.3Å; M271-K274 PolarHBondContact O-N 2.98Å; V272-K274 VanDerWaalsContact C-N 3.25Å; V272-K274 PolarHBondContact O-N 2.91Å |
| 275 | L | 71.2 | Confident | 55.8 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -88 | -48.2 | 174.8 | -73.4 | 165.8 | 0 | 0 | 0 | 111 | M271 V272 A273 S277 K278 | M271-L275 WeakPolarHBondContact O-CG 3.5Å; M271-L275 PolarHBondContact O-N 3.03Å; M271-L275 VanDerWaalsContact O-N 3.14Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 2.89Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 3.37Å; L275-S277 PolarHBondContact O-N 3.18Å; L275-K278 PolarHBondContact O-N 3.38Å; L275-K278 VanDerWaalsContact O-N 3.1Å |
| 276 | E | 69.3 | Low | 55.1 | Low | 147 Ų | 147 | 118.9 Ų | 118.9 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.5 | -41.5 | 179.7 | -66.4 | -177.3 | 149.7 | 0 | 0 | 112.1 | V272 K278 C279 | V272-E276 HydrophobicContact CG1-CG 4.4Å; V272-E276 PolarHBondContact O-N 3.19Å; E276-K278 PolarHBondContact O-N 2.83Å; E276-K278 VanDerWaalsContact O-N 3.12Å; E276-C279 PolarHBondContact O-N 3.36Å |
| 277 | S | 60 | Low | 53.9 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -8.4 | 175.8 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | A273 L275 | A273-S277 VanDerWaalsContact O-CB 3.23Å; A273-S277 WeakPolarHBondContact O-CB 3.42Å; A273-S277 PolarHBondContact O-N 2.86Å; A273-S277 VanDerWaalsContact O-N 3.08Å; A273-S277 PolarHBondContact O-OG 3.41Å; L275-S277 PolarHBondContact O-N 3.18Å |
| 278 | K | 52 | Low | 52 | Low | 177 Ų | 177 | 120 Ų | 120 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 5 | -174.2 | -152.8 | 164.6 | -173.7 | 174.6 | 0 | 114.1 | L275 E276 P280 | L275-K278 PolarHBondContact O-N 3.38Å; L275-K278 VanDerWaalsContact O-N 3.1Å; E276-K278 PolarHBondContact O-N 2.83Å; E276-K278 VanDerWaalsContact O-N 3.12Å; K278-P280 WeakPolarHBondContact O-CD 3.31Å |
| 279 | C | 40 | Very low | 50.7 | Low | 102 Ų | 102 | 126.8 Ų | 126.8 | 69% | 0.689 | 68% | 0.683 | S | S | * | * | trans | -87.8 | 112.4 | 177.4 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | E276 | E276-C279 PolarHBondContact O-N 3.36Š| ||
| 280 | P | 38.5 | Very low | 49.4 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -71.5 | 135.5 | 177.9 | 29.7 | -33.9 | 0 | 0 | 0 | 110.9 | K278 S282 | K278-P280 WeakPolarHBondContact O-CD 3.31Å; P280-S282 PolarHBondContact O-N 3.5Å; P280-S282 VanDerWaalsContact O-N 3.12Å | ||
| 281 | R | 45.1 | Very low | 47.4 | Very low | 252 Ų | 252 | 132.2 Ų | 132.2 | 95% | 0.951 | 72% | 0.717 | S | S | * | * | trans | -66.3 | 109.7 | 173.4 | -71.8 | 178.8 | 175 | 150.2 | -1.8 | 110.1 | ||||
| 282 | S | 32.6 | Very low | 45.6 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -88.1 | 110.2 | 161.5 | -162.4 | 0 | 0 | 0 | 0 | 109.8 | P280 | P280-S282 PolarHBondContact O-N 3.5Å; P280-S282 VanDerWaalsContact O-N 3.12Å | ||
| 283 | S | 36.3 | Very low | 43.9 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -51.1 | 160.3 | 145.5 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 284 | E | 34.1 | Very low | 42.5 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | cis | -178.2 | -176.7 | -19.3 | -164.8 | 174.4 | -152.9 | 0 | 0 | 105.2 | ||||
| 285 | T | 33.6 | Very low | 41.4 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | trans | 70.9 | 91.3 | 148.8 | -57.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 286 | S | 29.1 | Very low | 39.8 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | 115.5 | 152.3 | 116.6 | 76.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 287 | L | 34.8 | Very low | 38.2 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 70.4 | 139.2 | 169.3 | -48.2 | -175.2 | 0 | 0 | 0 | 116.2 | ||||
| 288 | S | 30.7 | Very low | 36.9 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | cis | -146.1 | 162.8 | -3.1 | -165.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 289 | R | 34.8 | Very low | 36.4 | Very low | 243 Ų | 243 | 149.6 Ų | 149.6 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -96.9 | 115.6 | 178.2 | -71.1 | 175.3 | 170.5 | 176.2 | -3.6 | 111.7 | ||||
| 290 | S | 32.5 | Very low | 36.2 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -168.1 | 75.9 | 159.2 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 291 | N | 31.7 | Very low | 36.2 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 97% | 0.968 | 82% | 0.82 | S | S | * | * | trans | -93 | 105.8 | 160.7 | -96.8 | -44.4 | 0 | 0 | 0 | 109 | ||||
| 292 | S | 35.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -105 | 147.1 | -177.1 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 293 | L | 37.4 | Very low | 36 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | 52.6 | 96.9 | 163.8 | -76.7 | 160.4 | 0 | 0 | 0 | 118.4 | ||||
| 294 | K | 43.3 | Very low | 35.9 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | trans | -71.1 | 139.9 | 154.2 | -79.6 | 179.9 | 178.5 | 173.5 | 0 | 110.8 | ||||
| 295 | R | 47.3 | Very low | 35.8 | Very low | 214 Ų | 214 | 147.9 Ų | 147.9 | 81% | 0.808 | 83% | 0.833 | S | S | * | * | trans | 59.7 | 117.5 | 148.5 | -60.8 | 164.5 | 179.2 | 171 | -4.2 | 119.2 | ||||
| 296 | T | 37.2 | Very low | 35.8 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | trans | -152.8 | 95.2 | 133.8 | 13.6 | 0 | 0 | 0 | 0 | 111 | G298 | T296-G298 PolarHBondContact O-N 3.29Š| ||
| 297 | V | 35.1 | Very low | 36 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 96% | 0.958 | 85% | 0.852 | S | S | * | * | trans | -95.9 | 83.1 | 163.7 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 298 | G | 34.5 | Very low | 35.8 | Very low | 66 Ų | 66 | 153.3 Ų | 153.3 | 68% | 0.68 | 84% | 0.843 | S | S | * | * | trans | -100.4 | 124 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T296 | T296-G298 PolarHBondContact O-N 3.29Š| ||
| 299 | R | 41 | Very low | 35.7 | Very low | 255 Ų | 255 | 158.1 Ų | 158.1 | 96% | 0.962 | 85% | 0.851 | S | S | * | * | trans | -78 | 117.8 | 166 | -77.2 | 173.4 | 163.3 | 162.6 | -7.2 | 109.3 | ||||
| 300 | V | 35.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 151 Ų | 151 | 87% | 0.873 | 84% | 0.838 | S | S | * | * | trans | -135.4 | 149.8 | 161.4 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 301 | L | 39.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -87 | 172.3 | -173.3 | -75.8 | 161.5 | 0 | 0 | 0 | 113.4 | ||||
| 302 | L | 37.2 | Very low | 34.8 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -64.6 | 130.8 | 172.4 | -59.1 | 163.6 | 0 | 0 | 0 | 112.2 | ||||
| 303 | T | 36.3 | Very low | 34.3 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 91% | 0.908 | 83% | 0.833 | S | S | * | * | trans | -151.1 | 154.3 | 143.4 | 35 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 304 | A | 33.4 | Very low | 33.8 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -101.4 | 148.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 305 | G | 32.5 | Very low | 33.3 | Very low | 80 Ų | 80 | 151 Ų | 151 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -151.7 | 120 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 306 | Q | 33.8 | Very low | 32.8 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -86.7 | 141.7 | 172.3 | -63.4 | 174.3 | -12.1 | 0 | 0 | 110.4 | ||||
| 307 | K | 32.1 | Very low | 32.7 | Very low | 202 Ų | 202 | 146.3 Ų | 146.3 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | -175.6 | 158.6 | 120.3 | -100.1 | 160.3 | -175.1 | 178.7 | 0 | 113 | |||||
| 308 | S | 30.9 | Very low | 33.1 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | trans | -77.6 | 166.7 | -176.2 | -38.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 309 | F | 28.6 | Very low | 33.1 | Very low | 211 Ų | 211 | 148.7 Ų | 148.7 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | -171.2 | 178.2 | 103.7 | -94.3 | -60.1 | 0 | 0 | 0 | 112.8 | |||||
| 310 | S | 27.3 | Very low | 33.4 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -108.6 | 155.4 | -151.9 | 171.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 311 | S | 28.8 | Very low | 33 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 65.7 | 166.9 | 150.7 | 57.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 312 | C | 24.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -144.8 | -171.3 | 7.5 | -149.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 313 | W | 24 | Very low | 32 | Very low | 227 Ų | 227 | 133.2 Ų | 133.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -51.1 | 169.3 | 178.4 | -73.3 | 41.6 | 0 | 0 | 0 | 114.1 | ||||
| 314 | T | 26.7 | Very low | 32.9 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | -168.7 | 148.8 | 59.2 | -41.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 315 | Q | 33.4 | Very low | 33.9 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -90.1 | 163.1 | 166.6 | -151 | -172 | 1.6 | 0 | 0 | 109.6 | ||||
| 316 | P | 38 | Very low | 33.9 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | -149.9 | 169.5 | 97.9 | 37.6 | -20.7 | 0 | 0 | 0 | 115.3 | |||||
| 317 | Q | 33.2 | Very low | 33.6 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | trans | -121.9 | 163.1 | 156.8 | -153.7 | -151.4 | 11.2 | 0 | 0 | 108.7 | ||||
| 318 | P | 44 | Very low | 33.5 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -141.5 | 170.3 | 128.1 | 34.5 | -19.2 | 0 | 0 | 0 | 115.4 | |||||
| 319 | Q | 34.3 | Very low | 33.4 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -102.1 | -158.6 | 168.2 | -65.9 | -161.7 | -21.1 | 0 | 0 | 108.8 | ||||
| 320 | P | 47 | Very low | 33.3 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | cis | -148.5 | 175.7 | 4.1 | 43.2 | -21.1 | 0 | 0 | 0 | 120.8 | ||||
| 321 | S | 28.8 | Very low | 33.3 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 56 | 129.7 | 141.6 | 64.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 322 | S | 29.1 | Very low | 33.3 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 94% | 0.937 | 77% | 0.769 | S | S | * | * | 177.9 | 168.1 | 120.1 | 43.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 323 | G | 25.5 | Very low | 33.5 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 170.5 | -171 | 177 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 324 | P | 54.5 | Low | 33.7 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | cis | -120.5 | -130.5 | -15.7 | 39.1 | -18.2 | 0 | 0 | 0 | 108.7 | ||||
| 325 | P | 55 | Low | 33.9 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -131.6 | -173.9 | -33.9 | 36.1 | -15.9 | 0 | 0 | 0 | 115.8 | ||||
| 326 | E | 31.3 | Very low | 34.1 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 94.2 | 139.3 | 136 | -99.2 | 176.2 | -145.8 | 0 | 0 | 127.2 | ||||
| 327 | T | 28.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | 81.5 | 119 | 145.9 | 49.2 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 328 | L | 29.6 | Very low | 33.3 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | 92 | 158 | 127.8 | -72.8 | 171 | 0 | 0 | 0 | 124.2 | |||||
| 329 | T | 28.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -118.1 | 144.5 | -154.1 | 48.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 330 | A | 27.4 | Very low | 32.4 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -165 | 126.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 331 | V | 28 | Very low | 32 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | 83 | 106.7 | 50.9 | 175.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 332 | R | 28 | Very low | 32 | Very low | 233 Ų | 233 | 134 Ų | 134 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | 152.8 | 148.1 | 149.4 | -90.9 | -165.5 | 178.6 | -153.6 | -2 | 112.1 | ||||
| 333 | V | 28 | Very low | 31.9 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | cis | -163 | 152.6 | -20.4 | 96.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 334 | E | 28.1 | Very low | 32 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 67.1 | 161.7 | 155.9 | -78.1 | 176.7 | 125.5 | 0 | 0 | 126.2 | ||||
| 335 | L | 32.3 | Very low | 30.8 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -108.5 | 168.7 | 179.4 | -126.8 | 73.9 | 0 | 0 | 0 | 109.7 | V337 | L335-V337 HydrophobicContact CB-CG2 4.25Å; L335-V337 HydrophobicContact CD2-CG2 3.93Å | ||
| 336 | P | 36.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | -126.7 | 152.9 | 100.3 | 2.2 | 19.3 | 0 | 0 | 0 | 111.9 | |||||
| 337 | V | 27.7 | Very low | 29.4 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | cis | 89.5 | 101.6 | 30.2 | -179.2 | 0 | 0 | 0 | 0 | 114.6 | L335 | L335-V337 HydrophobicContact CB-CG2 4.25Å; L335-V337 HydrophobicContact CD2-CG2 3.93Å | ||
| 338 | Q | 27.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 67.9 | 163.2 | 158.4 | -59.3 | -72.3 | 11.6 | 0 | 0 | 116.6 | ||||
| 339 | V | 26.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 138 Ų | 138 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | cis | -139.3 | 150.1 | 21.9 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 340 | K | 32 | Very low | 30.3 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -113.8 | 148.4 | 153.8 | -76.2 | -172.7 | 178.8 | -179 | 0 | 110.6 | ||||
| 341 | P | 39.5 | Very low | 30.4 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -119.1 | 174.5 | 141.8 | 34.4 | -24.3 | 0 | 0 | 0 | 112.2 | ||||
| 342 | A | 27.2 | Very low | 30.7 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -133 | -153.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 343 | V | 28 | Very low | 31.9 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 80.2 | 138.4 | 171.6 | 179.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 344 | R | 27.5 | Very low | 33.1 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | cis | -179 | -178 | -15.2 | -175.8 | -175.1 | 177.1 | -177 | 0.1 | 107.1 | ||||
| 345 | V | 28.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | 77.7 | 136 | 159.3 | 179.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 346 | E | 26.6 | Very low | 34.4 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -157.7 | 173.6 | -14.9 | -116.4 | 172.4 | 168.2 | 0 | 0 | 111 | ||||
| 347 | S | 30.3 | Very low | 34 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -112.5 | 154.6 | 161.8 | -49.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 348 | P | 49.4 | Very low | 34.2 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | -145.3 | -161.1 | 77.7 | 37.3 | -14.8 | 0 | 0 | 0 | 111.8 | |||||
| 349 | A | 28.2 | Very low | 35.3 | Very low | 80 Ų | 80 | 133 Ų | 133 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | cis | -158.9 | 159.5 | 17.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 350 | W | 29 | Very low | 35.6 | Very low | 229 Ų | 229 | 132.1 Ų | 132.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 5.9 | 155.4 | 149.8 | -74.1 | -96.6 | 0 | 0 | 0 | 121.7 | ||||
| 351 | V | 28.5 | Very low | 35.6 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | cis | -152 | 148.8 | 40.2 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 352 | L | 35.5 | Very low | 35.1 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -127.1 | 158 | 153.5 | -95.3 | 163.3 | 0 | 0 | 0 | 106.5 | ||||
| 353 | P | 53 | Low | 35.1 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | -150.7 | -145.9 | 55.2 | 40.8 | -14.9 | 0 | 0 | 0 | 111.3 | |||||
| 354 | P | 52.5 | Low | 35.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -137.9 | 168 | -5.2 | 40.5 | -20.7 | 0 | 0 | 0 | 119.9 | ||||
| 355 | T | 34.1 | Very low | 35.1 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -90.6 | 172.2 | 167.6 | -15.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 356 | P | 54 | Low | 35 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | -146.4 | -173.7 | 84.8 | 43.1 | -25.1 | 0 | 0 | 0 | 112.8 | |||||
| 357 | A | 28.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | cis | -148.4 | 174.3 | 8.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 358 | A | 32 | Very low | 34.9 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -122.6 | -170.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 359 | P | 50.8 | Low | 33.8 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -155.4 | 176.2 | 70.2 | 42.8 | -22.4 | 0 | 0 | 0 | 118.7 | |||||
| 360 | S | 33.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 70.6 | 145 | 150.9 | -65.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 361 | Q | 31.1 | Very low | 33.5 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | cis | -166.4 | 140 | -15.2 | 179.5 | 168.4 | 7.1 | 0 | 0 | 111.7 | ||||
| 362 | E | 29.3 | Very low | 33.5 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | 25 | 158.2 | 151.6 | -55.9 | 171.7 | 124.5 | 0 | 0 | 122.6 | ||||
| 363 | V | 28 | Very low | 33.3 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | cis | -160 | 152 | 32.5 | 76.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 364 | S | 27.8 | Very low | 32.2 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 20.3 | 139.9 | 155.3 | -158.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 365 | G | 27 | Very low | 31.3 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 175.1 | 138.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 366 | E | 26.5 | Very low | 31.5 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -143.2 | 165.7 | -168.8 | -121.7 | -169.3 | 101.6 | 0 | 0 | 111 | ||||
| 367 | M | 27.8 | Very low | 31 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | cis | -157.2 | 149.1 | 5.7 | 177.2 | 44.3 | 139.7 | 0 | 0 | 111.4 | ||||
| 368 | A | 27 | Very low | 31.5 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 60.8 | 152.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 369 | G | 26.7 | Very low | 31.7 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | 178.2 | -177.7 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 370 | L | 26.8 | Very low | 31.4 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | 65.6 | 122.7 | 176.8 | -102.6 | 75 | 0 | 0 | 0 | 119.6 | ||||
| 371 | W | 24 | Very low | 31.9 | Very low | 249 Ų | 249 | 141 Ų | 141 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -92.6 | 141.5 | 150.3 | -68.4 | -41.8 | 0 | 0 | 0 | 110.5 | ||||
| 372 | S | 28.5 | Very low | 32.4 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -171.3 | 115.8 | 141.6 | -77.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 373 | A | 30.2 | Very low | 33 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 67.3 | 71.8 | 71.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 374 | E | 30.8 | Very low | 33.2 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 95% | 0.949 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 131.4 | 163 | -75.5 | -165.3 | 96.2 | 0 | 0 | 110.2 | ||
| 375 | Q | 33.8 | Very low | 33.6 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 130.8 | -176 | -157.1 | 88.4 | 12.1 | 0 | 0 | 110.2 | P377 | Q375-P377 WeakPolarHBondContact O-CD 3.45Š|
| 376 | E | 37.7 | Very low | 34 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.3 | 174.9 | -171.3 | 177.5 | 177.3 | 0 | 0 | 111 | ||
| 377 | P | 43.1 | Very low | 34.3 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 124.6 | -177.3 | 30.9 | -33.3 | 0 | 0 | 0 | 111.9 | Q375 | Q375-P377 WeakPolarHBondContact O-CD 3.45Š|
| 378 | L | 39.1 | Very low | 34.6 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144 | -179 | -70.2 | 169.4 | 0 | 0 | 0 | 113 | G380 | L378-G380 PolarHBondContact O-N 3.34Š|
| 379 | P | 37.5 | Very low | 34.9 | Very low | 129 Ų | 129 | 152 Ų | 152 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 124.9 | -174.4 | 28.5 | -35 | 0 | 0 | 0 | 112.2 | ||
| 380 | G | 42.8 | Very low | 35 | Very low | 71 Ų | 71 | 151.7 Ų | 151.7 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.8 | -15.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | L378 | L378-G380 PolarHBondContact O-N 3.34Š|
| 381 | L | 44.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | trans | -110.2 | 40.5 | -170.7 | -65 | 179 | 0 | 0 | 0 | 115 | ||||
| 382 | L | 42.8 | Very low | 36.1 | Very low | 144 Ų | 144 | 143 Ų | 143 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | -80.5 | 147.5 | 162.3 | -61.2 | -179.2 | 0 | 0 | 0 | 109.8 | ||||
| 383 | F | 40.6 | Very low | 36.4 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | 72.5 | 60.1 | -179.3 | -43 | -68.3 | 0 | 0 | 0 | 117 | ||||
| 384 | R | 33.7 | Very low | 36.3 | Very low | 235 Ų | 235 | 147.2 Ų | 147.2 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -113.2 | 125.4 | 139.1 | -70.7 | -172.3 | 68.6 | 176.8 | -0.2 | 108.9 | ||||
| 385 | S | 34.8 | Very low | 36.3 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 140.8 | 172.4 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 386 | S | 36.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -116.2 | 133.5 | 166.7 | -60.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 387 | D | 32 | Very low | 35.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -82.6 | 147.2 | 179.3 | -70.8 | -56 | 0 | 0 | 0 | 112.4 | ||||
| 388 | E | 35 | Very low | 35.1 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | 27.9 | 102.3 | 149.8 | -69.1 | -71.9 | 94.5 | 0 | 0 | 119.3 | ||||
| 389 | T | 33.4 | Very low | 34.7 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -159.8 | 122.3 | 129.9 | -65.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 390 | G | 28.9 | Very low | 34.3 | Very low | 62 Ų | 62 | 147.1 Ų | 147.1 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | -113.1 | -169 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 391 | P | 42.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | cis | -132 | 174.8 | 2.5 | 40.9 | -25.7 | 0 | 0 | 0 | 114.6 | ||||
| 392 | T | 30.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | 162.1 | 120.1 | 121.5 | -66.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 393 | L | 34.3 | Very low | 32.9 | Very low | 159 Ų | 159 | 154.2 Ų | 154.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 26.1 | 115.9 | 155.4 | -58.7 | 171.4 | 0 | 0 | 0 | 120.9 | ||||
| 394 | C | 29.9 | Very low | 32.7 | Very low | 132 Ų | 132 | 152.8 Ų | 152.8 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | -167.2 | 131.5 | 113.3 | -124.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 395 | T | 29.1 | Very low | 32.7 | Very low | 112 Ų | 112 | 150 Ų | 150 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -132.9 | 120.5 | -173.2 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 396 | P | 29.9 | Very low | 32.6 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -91.3 | 127.2 | 160.3 | 32.8 | -27.9 | 0 | 0 | 0 | 110.5 | ||||
| 397 | H | 29.7 | Very low | 32.4 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -83.2 | 135.4 | -178.5 | -70.7 | -83.8 | 0 | 0 | 0 | 113.3 | ||||
| 398 | Y | 30 | Very low | 32.6 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -135.8 | 142.8 | 137.1 | 72.1 | -86.1 | 0 | 0 | 0 | 110.7 | ||||
| 399 | R | 31.1 | Very low | 32.9 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -108.9 | 133.5 | -174.3 | -101.3 | -172.8 | 169.1 | -165.5 | -2 | 110.8 | ||||
| 400 | T | 29.2 | Very low | 33 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -142 | 69.6 | 159.2 | -40.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 401 | T | 32.4 | Very low | 33.1 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 61% | 0.607 | 80% | 0.804 | S | S | * | * | trans | -94.1 | 97.1 | -178.9 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 402 | F | 33.4 | Very low | 32.7 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -150.8 | 69.8 | 169.4 | -89.6 | -63.7 | 0 | 0 | 0 | 113.9 | ||||
| 403 | Y | 34.5 | Very low | 32.9 | Very low | 242 Ų | 242 | 149.2 Ų | 149.2 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | trans | -140.8 | 137.9 | 145.4 | -89.1 | -75.2 | 0 | 0 | 0 | 108 | ||||
| 404 | L | 36.3 | Very low | 32.8 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -96.5 | 131.2 | -175.9 | -75.2 | 163.7 | 0 | 0 | 0 | 110.6 | ||||
| 405 | E | 33.3 | Very low | 33 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -98.5 | 139.1 | 166.8 | -171.2 | -177.1 | 177.5 | 0 | 0 | 109.8 | A407 | E405-A407 PolarHBondContact O-N 2.86Š| ||
| 406 | P | 33.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 102.9 | 176.8 | -3.6 | 22.3 | 0 | 0 | 0 | 111.4 | ||||
| 407 | A | 31.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 129.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E405 | E405-A407 PolarHBondContact O-N 2.86Š|
| 408 | L | 35.9 | Very low | 33.6 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92 | 142.7 | 166.3 | -72.4 | 170.5 | 0 | 0 | 0 | 110.3 | ||
| 409 | P | 41.2 | Very low | 34 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 145.4 | -179.6 | 31 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 410 | P | 37.2 | Very low | 34.3 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 147.5 | 177 | 31.2 | -35 | 0 | 0 | 0 | 112.5 | ||
| 411 | V | 30.7 | Very low | 34.6 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 117.2 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 110 | V413 | V411-V413 PolarHBondContact O-N 2.83Š|
| 412 | S | 33.3 | Very low | 34.9 | Very low | 113 Ų | 113 | 154.8 Ų | 154.8 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 116.5 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 413 | V | 33.7 | Very low | 35.1 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 118.4 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | V411 | V411-V413 PolarHBondContact O-N 2.83Š|
| 414 | P | 34 | Very low | 35.3 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73 | 130.1 | -179.7 | -18.4 | 32.4 | 0 | 0 | 0 | 112.7 | R416 | P414-R416 PolarHBondContact O-N 3.5Š|
| 415 | Q | 32.3 | Very low | 35.2 | Very low | 195 Ų | 195 | 150.3 Ų | 150.3 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 118.7 | 169.2 | -103.8 | -177.2 | -101.8 | 0 | 0 | 111.5 | ||
| 416 | R | 31.3 | Very low | 35.5 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -7.8 | 119.6 | 153.1 | -178.1 | 178.8 | -178.7 | 161.7 | -3.3 | 115.6 | P414 E418 | P414-R416 PolarHBondContact O-N 3.5Å; R416-E418 HydrophobicContact CG-CG 4.13Å; R416-E418 IonicContact CZ-OE1 3.65Å; R416-E418 VanDerWaalsContact CZ-OE1 3.23Å; R416-E418 IonicContact NE-OE1 2.71Å; R416-E418 PolarHBondContact NE-OE1 2.86Å; R416-E418 IonicContact NH2-OE1 2.75Å; R416-E418 PolarHBondContact NH2-OE1 2.79Å | ||
| 417 | S | 34.3 | Very low | 35.5 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -120 | 135.2 | 155 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 418 | E | 36.2 | Very low | 35.6 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 65% | 0.654 | 82% | 0.816 | S | S | * | * | trans | -96 | 133.8 | -170.8 | -59.6 | -175.5 | 135.4 | 0 | 0 | 111.1 | R416 | R416-E418 HydrophobicContact CG-CG 4.13Å; R416-E418 IonicContact CZ-OE1 3.65Å; R416-E418 VanDerWaalsContact CZ-OE1 3.23Å; R416-E418 IonicContact NE-OE1 2.71Å; R416-E418 PolarHBondContact NE-OE1 2.86Å; R416-E418 IonicContact NH2-OE1 2.75Å; R416-E418 PolarHBondContact NH2-OE1 2.79Å | ||
| 419 | K | 39 | Very low | 36.2 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -148.9 | 119.3 | 163.5 | -151.8 | 159.7 | -170.8 | 169 | 0 | 111.9 | ||||
| 420 | N | 36.1 | Very low | 35.9 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -63.3 | 136.4 | -179.1 | -67.1 | -36.9 | 0 | 0 | 0 | 112.1 | ||||
| 421 | K | 36.8 | Very low | 36 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -150.5 | 120 | 141.9 | -121.4 | -179.7 | -177.7 | -172.8 | 0 | 111.6 | ||||
| 422 | V | 37.4 | Very low | 36.3 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 82% | 0.822 | S | S | * | * | trans | -75.1 | 129.1 | 173 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 423 | H | 37.8 | Very low | 37 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -146 | 159.4 | 146.8 | -86.4 | -67.2 | 0 | 0 | 0 | 109.7 | ||||
| 424 | K | 38.6 | Very low | 37.4 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -137 | 112.5 | -154 | 171.1 | -170.6 | 174 | -176.7 | 0 | 110.7 | ||||
| 425 | T | 34.4 | Very low | 38.3 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -143 | 141 | 172 | -41.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 426 | M | 40.9 | Very low | 39.1 | Very low | 181 Ų | 181 | 141 Ų | 141 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | trans | -86.2 | 157.9 | 178.1 | -63.3 | 169.9 | 171.8 | 0 | 0 | 111.3 | ||||
| 427 | G | 33.1 | Very low | 40 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -179.8 | 40.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 428 | C | 33.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | 58.9 | 159.3 | 163.2 | -70.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 429 | P | 49.1 | Very low | 40.9 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | trans | -92 | 155 | 179.2 | 36.4 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 430 | S | 33.9 | Very low | 41.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -144.8 | 124.9 | 157.5 | -175 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 431 | C | 39 | Very low | 42.3 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 91% | 0.905 | 81% | 0.805 | S | S | * | * | trans | -85.3 | 113.7 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 432 | S | 38.2 | Very low | 43.4 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -122.7 | 112.1 | 165.4 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | A434 | S432-A434 PolarHBondContact O-N 3.46Š| ||
| 433 | A | 47.3 | Very low | 44.8 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 87.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V435 | A433-V435 PolarHBondContact O-N 3.21Š| ||
| 434 | A | 41.5 | Very low | 47.1 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 93.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S432 P436 | S432-A434 PolarHBondContact O-N 3.46Å; A434-P436 WeakPolarHBondContact O-CD 3.19Å | ||
| 435 | V | 54.1 | Low | 49.4 | Very low | 116 Ų | 116 | 119 Ų | 119 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | trans | -59.2 | 123 | 171.1 | 176 | 0 | 0 | 0 | 0 | 108.6 | A433 L437 | A433-V435 PolarHBondContact O-N 3.21Å; V435-L437 PolarHBondContact O-N 2.78Å | ||
| 436 | P | 48.4 | Very low | 52 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -64.5 | 111.1 | 176.1 | -22.4 | 34.6 | 0 | 0 | 0 | 110.7 | A434 | A434-P436 WeakPolarHBondContact O-CD 3.19Š| ||
| 437 | L | 50.5 | Low | 54.3 | Low | 173 Ų | 173 | 113.2 Ų | 113.2 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | trans | -63.4 | 151.8 | 163.4 | -84.5 | 92 | 0 | 0 | 0 | 109.8 | V435 | V435-L437 PolarHBondContact O-N 2.78Š| ||
| 438 | G | 40.4 | Very low | 57.1 | Low | 60 Ų | 60 | 114.1 Ų | 114.1 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | trans | 90.6 | 87.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S440 | G438-S440 PolarHBondContact O-N 2.96Š| ||
| 439 | R | 49.5 | Very low | 59.7 | Low | 254 Ų | 254 | 113.3 Ų | 113.3 | 96% | 0.958 | 69% | 0.689 | S | S | * | * | trans | -70.3 | 69.9 | 145.2 | -75.7 | -173.8 | 172.8 | -134.2 | 0 | 108.7 | A441 | R439-A441 VanDerWaalsContact C-N 3.34Å; R439-A441 PolarHBondContact O-N 2.98Å | ||
| 440 | S | 50.3 | Low | 61.6 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -61.3 | 102 | 161 | 33.8 | 0 | 0 | 0 | 0 | 106.8 | G438 S442 | G438-S440 PolarHBondContact O-N 2.96Å; S440-S442 PolarHBondContact O-N 2.91Å | ||
| 441 | A | 53.2 | Low | 64.2 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | trans | -60.5 | 110.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | R439 V443 | R439-A441 VanDerWaalsContact C-N 3.34Å; R439-A441 PolarHBondContact O-N 2.98Å; A441-V443 PolarHBondContact O-N 3Å | ||
| 442 | S | 61.2 | Low | 66.6 | Low | 119 Ų | 119 | 111.4 Ų | 111.4 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | trans | -71.1 | 73 | 174.4 | 40.8 | 0 | 0 | 0 | 0 | 109.4 | S440 S444 | S440-S442 PolarHBondContact O-N 2.91Å; S442-S444 PolarHBondContact O-N 3.4Å; S442-S444 VanDerWaalsContact O-N 3.1Å | ||
| 443 | V | 66.9 | Low | 68.9 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | trans | -51 | 118.4 | 169.5 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | A441 Q445 F447 L448 | A441-V443 PolarHBondContact O-N 3Å; V443-Q445 PolarHBondContact O-N 2.79Å; V443-F447 HydrophobicContact CG1-CB 3.99Å; V443-F447 HydrophobicContact CG1-CD1 3.31Å; V443-F447 HydrophobicContact CG1-CE1 4.07Å; V443-F447 HydrophobicContact CG1-CG 3.94Å; V443-L448 HydrophobicContact CG1-CD2 3.81Å; V443-L448 HydrophobicContact CG1-CG 3.97Å | ||
| 444 | S | 85.2 | Confident | 70.9 | Confident | 65 Ų | 65 | 114.4 Ų | 114.4 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | trans | -58.5 | 142.9 | -173.3 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | S442 D446 F447 L448 | S442-S444 PolarHBondContact O-N 3.4Å; S442-S444 VanDerWaalsContact O-N 3.1Å; S444-D446 PolarHBondContact O-N 2.88Å; S444-F447 WeakPolarHBondContact O-CB 3.49Å; S444-F447 PolarHBondContact O-N 2.9Å; S444-F447 WeakPolarHBondContact OG-CB 3.38Å; S444-F447 PolarHBondContact OG-N 2.99Å; S444-L448 PolarHBondContact O-N 2.97Å; S444-L448 VanDerWaalsContact O-N 3.13Å | ||
| 445 | Q | 86.5 | Confident | 72.9 | Confident | 128 Ų | 128 | 115.6 Ų | 115.6 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -56.1 | -30.2 | 179.2 | -160.8 | -179.9 | 35.9 | 0 | 0 | 110.7 | V443 L448 R449 | V443-Q445 PolarHBondContact O-N 2.79Å; Q445-L448 PolarHBondContact O-N 3.08Å; Q445-R449 VanDerWaalsContact O-CG 3.3Å; Q445-R449 WeakPolarHBondContact O-CG 3.34Å; Q445-R449 PolarHBondContact O-N 3.4Å; Q445-R449 VanDerWaalsContact OE1-CZ 3.3Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.13Å |
| 446 | D | 88.5 | Confident | 74.2 | Confident | 93 Ų | 93 | 115.4 Ų | 115.4 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.1 | -34.1 | 176.4 | -51.4 | -55.7 | 0 | 0 | 0 | 113.6 | S444 L448 R449 V450 | S444-D446 PolarHBondContact O-N 2.88Å; D446-L448 VanDerWaalsContact C-N 3.29Å; D446-L448 PolarHBondContact O-N 3.31Å; D446-R449 PolarHBondContact O-N 2.76Å; D446-R449 IonicContact OD1-CZ 2.77Å; D446-R449 IonicContact OD1-NH1 3.75Å; D446-R449 PolarHBondContact OD1-NH1 3.49Å; D446-V450 VanDerWaalsContact O-CB 3.3Å; D446-V450 WeakPolarHBondContact O-CB 3.47Å; D446-V450 VanDerWaalsContact O-CG2 3.23Å; D446-V450 WeakPolarHBondContact O-CG2 3.24Å; D446-V450 PolarHBondContact O-N 2.85Å |
| 447 | F | 90.3 | Very high | 75.6 | Confident | 110 Ų | 110 | 116.1 Ų | 116.1 | 48% | 0.482 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.9 | -39.3 | 168.7 | -179.7 | -86.3 | 0 | 0 | 0 | 110.9 | V443 S444 R451 | V443-F447 HydrophobicContact CG1-CB 3.99Å; V443-F447 HydrophobicContact CG1-CD1 3.31Å; V443-F447 HydrophobicContact CG1-CE1 4.07Å; V443-F447 HydrophobicContact CG1-CG 3.94Å; S444-F447 WeakPolarHBondContact O-CB 3.49Å; S444-F447 PolarHBondContact O-N 2.9Å; S444-F447 WeakPolarHBondContact OG-CB 3.38Å; S444-F447 PolarHBondContact OG-N 2.99Å; F447-R451 WeakPolarHBondContact O-CB 3.33Å; F447-R451 PolarHBondContact O-N 3.47Å |
| 448 | L | 90.8 | Very high | 76.7 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 48% | 0.482 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.1 | -45.3 | 174.8 | -62.3 | 178.3 | 0 | 0 | 0 | 111.6 | V443 S444 Q445 D446 V450 R451 Q452 | V443-L448 HydrophobicContact CG1-CD2 3.81Å; V443-L448 HydrophobicContact CG1-CG 3.97Å; S444-L448 PolarHBondContact O-N 2.97Å; S444-L448 VanDerWaalsContact O-N 3.13Å; Q445-L448 PolarHBondContact O-N 3.08Å; D446-L448 VanDerWaalsContact C-N 3.29Å; D446-L448 PolarHBondContact O-N 3.31Å; L448-V450 PolarHBondContact O-N 3.41Å; L448-R451 PolarHBondContact O-N 3.34Å; L448-Q452 VanDerWaalsContact O-CB 3.3Å; L448-Q452 WeakPolarHBondContact O-CB 3.48Å; L448-Q452 PolarHBondContact O-N 2.95Å |
| 449 | R | 88.9 | Confident | 78.2 | Confident | 111 Ų | 111 | 113.5 Ų | 113.5 | 42% | 0.419 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.7 | -45.8 | 173.6 | -72.2 | 168.2 | 177 | 126.1 | 4.2 | 112.4 | Q445 D446 Q452 R453 | Q445-R449 VanDerWaalsContact O-CG 3.3Å; Q445-R449 WeakPolarHBondContact O-CG 3.34Å; Q445-R449 PolarHBondContact O-N 3.4Å; Q445-R449 VanDerWaalsContact OE1-CZ 3.3Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.13Å; D446-R449 PolarHBondContact O-N 2.76Å; D446-R449 IonicContact OD1-CZ 2.77Å; D446-R449 IonicContact OD1-NH1 3.75Å; D446-R449 PolarHBondContact OD1-NH1 3.49Å; R449-Q452 PolarHBondContact O-N 2.92Å; R449-R453 WeakPolarHBondContact O-CB 3.21Å; R449-R453 WeakPolarHBondContact O-CG 3.49Å; R449-R453 PolarHBondContact O-N 3.1Å |
| 450 | V | 89.1 | Confident | 78.7 | Confident | 84 Ų | 84 | 107.4 Ų | 107.4 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -44.3 | 178.3 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | D446 L448 Q452 R453 L454 | D446-V450 VanDerWaalsContact O-CB 3.3Å; D446-V450 WeakPolarHBondContact O-CB 3.47Å; D446-V450 VanDerWaalsContact O-CG2 3.23Å; D446-V450 WeakPolarHBondContact O-CG2 3.24Å; D446-V450 PolarHBondContact O-N 2.85Å; L448-V450 PolarHBondContact O-N 3.41Å; V450-Q452 PolarHBondContact O-N 3.05Å; V450-R453 PolarHBondContact O-N 3.36Å; V450-L454 HydrophobicContact CG1-CD1 4.45Å; V450-L454 WeakPolarHBondContact O-CB 3.29Å; V450-L454 PolarHBondContact O-N 3.22Å |
| 451 | R | 89.1 | Confident | 79.1 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -42.5 | 175.4 | -173.1 | -178.3 | -178.9 | 106 | -1.8 | 111.7 | F447 L448 L454 Q455 | F447-R451 WeakPolarHBondContact O-CB 3.33Å; F447-R451 PolarHBondContact O-N 3.47Å; L448-R451 PolarHBondContact O-N 3.34Å; R451-L454 PolarHBondContact O-N 2.8Å; R451-Q455 WeakPolarHBondContact O-CB 3.45Å; R451-Q455 VanDerWaalsContact O-CG 3.31Å; R451-Q455 WeakPolarHBondContact O-CG 3.39Å; R451-Q455 PolarHBondContact O-N 2.93Å |
| 452 | Q | 89 | Confident | 79.7 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -45 | 176.5 | -173.7 | 179.4 | 10.8 | 0 | 0 | 111.6 | L448 R449 V450 Q455 Q456 | L448-Q452 VanDerWaalsContact O-CB 3.3Å; L448-Q452 WeakPolarHBondContact O-CB 3.48Å; L448-Q452 PolarHBondContact O-N 2.95Å; R449-Q452 PolarHBondContact O-N 2.92Å; V450-Q452 PolarHBondContact O-N 3.05Å; Q452-Q455 CarbonylContact O-C 3.56Å; Q452-Q455 PolarHBondContact O-N 3.29Å; Q452-Q456 WeakPolarHBondContact O-CG 3.34Å; Q452-Q456 PolarHBondContact O-N 3.02Å |
| 453 | R | 86.4 | Confident | 79.8 | Confident | 175 Ų | 175 | 107.5 Ų | 107.5 | 66% | 0.66 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 173.3 | -76.4 | 178.5 | 173 | 179.2 | -2.6 | 111.9 | R449 V450 Q455 Q456 L457 | R449-R453 WeakPolarHBondContact O-CB 3.21Å; R449-R453 WeakPolarHBondContact O-CG 3.49Å; R449-R453 PolarHBondContact O-N 3.1Å; V450-R453 PolarHBondContact O-N 3.36Å; R453-Q455 VanDerWaalsContact C-N 3.33Å; R453-Q455 PolarHBondContact O-N 3.02Å; R453-Q456 PolarHBondContact O-N 3.48Å; R453-L457 WeakPolarHBondContact O-CB 3.47Å; R453-L457 WeakPolarHBondContact O-CG 3.25Å; R453-L457 PolarHBondContact O-N 2.9Å |
| 454 | L | 89.1 | Confident | 79.7 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 172.8 | -106 | 161.8 | 0 | 0 | 0 | 111.8 | V450 R451 Q456 L457 L458 | V450-L454 HydrophobicContact CG1-CD1 4.45Å; V450-L454 WeakPolarHBondContact O-CB 3.29Å; V450-L454 PolarHBondContact O-N 3.22Å; R451-L454 PolarHBondContact O-N 2.8Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 2.99Å; L454-L457 PolarHBondContact O-N 3.07Å; L454-L458 HydrophobicContact CD2-CD1 3.8Å; L454-L458 HydrophobicContact CD2-CG 4.28Å; L454-L458 WeakPolarHBondContact O-CB 3.22Å; L454-L458 VanDerWaalsContact O-CG 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.48Å; L454-L458 PolarHBondContact O-N 3.02Å |
| 455 | Q | 83.9 | Confident | 78.9 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.3 | -28.7 | 175.3 | -73.5 | 176.8 | -73.4 | 0 | 0 | 112.9 | R451 Q452 R453 A459 | R451-Q455 WeakPolarHBondContact O-CB 3.45Å; R451-Q455 VanDerWaalsContact O-CG 3.31Å; R451-Q455 WeakPolarHBondContact O-CG 3.39Å; R451-Q455 PolarHBondContact O-N 2.93Å; Q452-Q455 CarbonylContact O-C 3.56Å; Q452-Q455 PolarHBondContact O-N 3.29Å; R453-Q455 VanDerWaalsContact C-N 3.33Å; R453-Q455 PolarHBondContact O-N 3.02Å; Q455-A459 WeakPolarHBondContact O-CA 3.17Å; Q455-A459 VanDerWaalsContact O-CB 3.29Å; Q455-A459 WeakPolarHBondContact O-CB 3.5Å; Q455-A459 PolarHBondContact O-N 3.35Å |
| 456 | Q | 81.1 | Confident | 78.3 | Confident | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -76.7 | -34.7 | 173.4 | -73.4 | 168.4 | -29.8 | 0 | 0 | 112.6 | Q452 R453 L454 A459 | Q452-Q456 WeakPolarHBondContact O-CG 3.34Å; Q452-Q456 PolarHBondContact O-N 3.02Å; R453-Q456 PolarHBondContact O-N 3.48Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 2.99Å; Q456-A459 WeakPolarHBondContact O-CB 3.42Å |
| 457 | L | 77.3 | Confident | 77.8 | Confident | 136 Ų | 136 | 108.4 Ų | 108.4 | 71% | 0.712 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.2 | -33.7 | 175 | -69 | 169.6 | 0 | 0 | 0 | 112.5 | R453 L454 | R453-L457 WeakPolarHBondContact O-CB 3.47Å; R453-L457 WeakPolarHBondContact O-CG 3.25Å; R453-L457 PolarHBondContact O-N 2.9Å; L454-L457 PolarHBondContact O-N 3.07Å |
| 458 | L | 73.4 | Confident | 77.5 | Confident | 134 Ų | 134 | 106.3 Ų | 106.3 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -88.7 | -4 | 173.9 | -64.6 | 171.3 | 0 | 0 | 0 | 113.1 | L454 | L454-L458 HydrophobicContact CD2-CD1 3.8Å; L454-L458 HydrophobicContact CD2-CG 4.28Å; L454-L458 WeakPolarHBondContact O-CB 3.22Å; L454-L458 VanDerWaalsContact O-CG 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.48Å; L454-L458 PolarHBondContact O-N 3.02Å |
| 459 | A | 71.8 | Confident | 76.9 | Confident | 44 Ų | 44 | 105.5 Ų | 105.5 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -61.8 | 137.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q455 Q456 Q461 | Q455-A459 WeakPolarHBondContact O-CA 3.17Å; Q455-A459 VanDerWaalsContact O-CB 3.29Å; Q455-A459 WeakPolarHBondContact O-CB 3.5Å; Q455-A459 PolarHBondContact O-N 3.35Å; Q456-A459 WeakPolarHBondContact O-CB 3.42Å; A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.5Å |
| 460 | P | 59.9 | Low | 76.6 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 83% | 0.825 | 53% | 0.534 | S | S | * | . | trans | -69.3 | 87.4 | 177.7 | 28.7 | -34.3 | 0 | 0 | 0 | 109.6 | S462 | P460-S462 PolarHBondContact O-N 2.88Å; P460-S462 VanDerWaalsContact O-N 3.07Å | ||
| 461 | Q | 60.3 | Low | 76.3 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | trans | -60.9 | 114.3 | 176 | -69.5 | -163.7 | 34.6 | 0 | 0 | 108.9 | A459 Y463 | A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.5Å; Q461-Y463 HydrophobicContact CB-CD1 4.3Å; Q461-Y463 HydrophobicContact CB-CD2 4.15Å; Q461-Y463 HydrophobicContact CB-CE1 3.83Å; Q461-Y463 HydrophobicContact CB-CE2 3.67Å; Q461-Y463 HydrophobicContact CB-CG 4.46Å; Q461-Y463 VanDerWaalsContact CB-CZ 3.49Å; Q461-Y463 WeakPolarHBondContact O-CD2 3.34Å; Q461-Y463 PolarHBondContact O-N 3.45Å; Q461-Y463 VanDerWaalsContact OE1-CE1 3.26Å; Q461-Y463 PolarHBondContact OE1-OH 3.05Å | ||
| 462 | S | 64.4 | Low | 76.1 | Confident | 71 Ų | 71 | 99.4 Ų | 99.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | trans | -80.5 | 59.3 | -176.1 | 44.6 | 0 | 0 | 0 | 0 | 110.6 | P460 L464 L465 | P460-S462 PolarHBondContact O-N 2.88Å; P460-S462 VanDerWaalsContact O-N 3.07Å; S462-L464 PolarHBondContact O-N 3.11Å; S462-L465 WeakPolarHBondContact O-CB 3.3Å; S462-L465 PolarHBondContact O-N 3Å | ||
| 463 | Y | 65.1 | Low | 75.8 | Confident | 139 Ų | 139 | 95 Ų | 95 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -50.5 | -31.4 | -179.2 | -57.1 | -70.3 | 0 | 0 | 0 | 113 | Q461 L465 L466 L467 | Q461-Y463 HydrophobicContact CB-CD1 4.3Å; Q461-Y463 HydrophobicContact CB-CD2 4.15Å; Q461-Y463 HydrophobicContact CB-CE1 3.83Å; Q461-Y463 HydrophobicContact CB-CE2 3.67Å; Q461-Y463 HydrophobicContact CB-CG 4.46Å; Q461-Y463 VanDerWaalsContact CB-CZ 3.49Å; Q461-Y463 WeakPolarHBondContact O-CD2 3.34Å; Q461-Y463 PolarHBondContact O-N 3.45Å; Q461-Y463 VanDerWaalsContact OE1-CE1 3.26Å; Q461-Y463 PolarHBondContact OE1-OH 3.05Å; Y463-L465 PolarHBondContact O-N 3.38Å; Y463-L466 PolarHBondContact O-N 3.41Å; Y463-L467 VanDerWaalsContact O-CD1 3.3Å; Y463-L467 WeakPolarHBondContact O-CD1 3.45Å; Y463-L467 PolarHBondContact O-N 3.43Å |
| 464 | L | 64.6 | Low | 75.5 | Confident | 82 Ų | 82 | 91 Ų | 91 | 43% | 0.429 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -63.8 | -16.1 | 174.7 | -58.1 | -179.8 | 0 | 0 | 0 | 114.9 | S462 L472 | S462-L464 PolarHBondContact O-N 3.11Å; L464-L472 HydrophobicContact CB-CD1 4.01Å; L464-L472 HydrophobicContact CD2-CD1 3.83Å; L464-L472 HydrophobicContact CG-CD1 4.46Å |
| 465 | L | 66.9 | Low | 75.3 | Confident | 100 Ų | 100 | 91.2 Ų | 91.2 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -90.4 | -14 | 172.2 | -61.6 | -179.7 | 0 | 0 | 0 | 112.9 | S462 Y463 Y493 | S462-L465 WeakPolarHBondContact O-CB 3.3Å; S462-L465 PolarHBondContact O-N 3Å; Y463-L465 PolarHBondContact O-N 3.38Å; L465-Y493 HydrophobicContact CD2-CD1 3.6Å; L465-Y493 HydrophobicContact CD2-CD2 3.77Å; L465-Y493 HydrophobicContact CD2-CE1 3.63Å; L465-Y493 HydrophobicContact CD2-CE2 3.83Å; L465-Y493 HydrophobicContact CD2-CG 3.66Å |
| 466 | L | 75 | Confident | 75.3 | Confident | 140 Ų | 140 | 86.2 Ų | 86.2 | 73% | 0.733 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -19.8 | 176.9 | -64.2 | 171.7 | 0 | 0 | 0 | 112.1 | Y463 | Y463-L466 PolarHBondContact O-N 3.41Š|
| 467 | L | 76.9 | Confident | 75.3 | Confident | 59 Ų | 59 | 84 Ų | 84 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -76.1 | 134.9 | 174.2 | -89.9 | 79.5 | 0 | 0 | 0 | 111.5 | Y463 H469 L471 L475 | Y463-L467 VanDerWaalsContact O-CD1 3.3Å; Y463-L467 WeakPolarHBondContact O-CD1 3.45Å; Y463-L467 PolarHBondContact O-N 3.43Å; L467-H469 PolarHBondContact O-N 3.38Å; L467-L471 HydrophobicContact CD2-CB 4.29Å; L467-L475 HydrophobicContact CD2-CD1 3.56Å |
| 468 | P | 84.3 | Confident | 75.5 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | trans | -53.5 | 138.2 | 166 | -27.2 | 35.2 | 0 | 0 | 0 | 112.5 | H470 L471 L472 | P468-H470 VanDerWaalsContact CB-CE1 3.42Å; P468-H470 WeakPolarHBondContact CB-CE1 3.23Å; P468-H470 PolarHBondContact O-N 3.14Å; P468-L471 PolarHBondContact O-N 3.39Å; P468-L472 PolarHBondContact O-N 3.21Å; P468-L472 VanDerWaalsContact O-N 3.1Å | ||
| 469 | H | 79.5 | Confident | 75.9 | Confident | 74 Ų | 74 | 80 Ų | 80 | 34% | 0.343 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -51.9 | -33.3 | -175.8 | -67.9 | 123.6 | 0 | 0 | 0 | 114.4 | L467 L472 V473 Y493 Y501 | L467-H469 PolarHBondContact O-N 3.38Å; H469-L472 PolarHBondContact O-N 3.34Å; H469-V473 WeakPolarHBondContact O-CB 3.41Å; H469-V473 VanDerWaalsContact O-CG2 3.23Å; H469-V473 WeakPolarHBondContact O-CG2 3.42Å; H469-V473 PolarHBondContact O-N 2.97Å; H469-Y493 PolarHBondContact CD2-OH 2.83Å; H469-Y493 PolarHBondContact NE2-OH 3.31Å; H469-Y501 HydrophobicContact CB-CE1 4.39Å; H469-Y501 HydrophobicContact CB-CE2 4.07Å; H469-Y501 WeakPolarHBondContact CB-OH 3.42Å; H469-Y501 AromaticContact CD2-CE2 3.95Å; H469-Y501 AromaticContact CG-CZ 3.89Å; H469-Y501 VanDerWaalsContact CG-OH 3.28Å; H469-Y501 PolarHBondContact ND1-OH 3.48Å |
| 470 | H | 80.8 | Confident | 75.8 | Confident | 120 Ų | 120 | 80.6 Ų | 80.6 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 179.6 | 60.2 | -98.3 | 0 | 0 | 0 | 112.7 | P468 N474 | P468-H470 VanDerWaalsContact CB-CE1 3.42Å; P468-H470 WeakPolarHBondContact CB-CE1 3.23Å; P468-H470 PolarHBondContact O-N 3.14Å; H470-N474 VanDerWaalsContact O-CG 3.28Å; H470-N474 PolarHBondContact O-N 3.46Å |
| 471 | L | 83.5 | Confident | 76.2 | Confident | 81 Ų | 81 | 77.3 Ų | 77.3 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 173.3 | -62.2 | -175.8 | 0 | 0 | 0 | 110.7 | L467 P468 V473 N474 L475 | L467-L471 HydrophobicContact CD2-CB 4.29Å; P468-L471 PolarHBondContact O-N 3.39Å; L471-V473 PolarHBondContact O-N 3.03Å; L471-N474 PolarHBondContact O-N 3.45Å; L471-L475 WeakPolarHBondContact O-CG 3.39Å; L471-L475 PolarHBondContact O-N 3.01Å |
| 472 | L | 84.3 | Confident | 76.6 | Confident | 5 Ų | 5 | 80.1 Ų | 80.1 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 176.8 | -167.5 | 79 | 0 | 0 | 0 | 111.3 | L464 P468 H469 L475 L476 Y493 V497 | L464-L472 HydrophobicContact CB-CD1 4.01Å; L464-L472 HydrophobicContact CD2-CD1 3.83Å; L464-L472 HydrophobicContact CG-CD1 4.46Å; P468-L472 PolarHBondContact O-N 3.21Å; P468-L472 VanDerWaalsContact O-N 3.1Å; H469-L472 PolarHBondContact O-N 3.34Å; L472-L475 PolarHBondContact O-N 2.94Å; L472-L476 HydrophobicContact CD2-CD1 4.37Å; L472-L476 HydrophobicContact CG-CD1 3.89Å; L472-L476 WeakPolarHBondContact O-CB 3.34Å; L472-L476 WeakPolarHBondContact O-CD1 3.28Å; L472-L476 WeakPolarHBondContact O-CG 3.44Å; L472-L476 PolarHBondContact O-N 3.43Å; L472-Y493 HydrophobicContact CD2-CE1 3.57Å; L472-V497 HydrophobicContact CD2-CG1 4.18Å; L472-V497 HydrophobicContact CD2-CG2 3.69Å |
| 473 | V | 83 | Confident | 77.1 | Confident | 18 Ų | 18 | 79 Ų | 79 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 111 | H469 L471 L475 L476 L477 V497 Y501 V503 | H469-V473 WeakPolarHBondContact O-CB 3.41Å; H469-V473 VanDerWaalsContact O-CG2 3.23Å; H469-V473 WeakPolarHBondContact O-CG2 3.42Å; H469-V473 PolarHBondContact O-N 2.97Å; L471-V473 PolarHBondContact O-N 3.03Å; V473-L475 VanDerWaalsContact C-N 3.35Å; V473-L475 PolarHBondContact O-N 3.36Å; V473-L476 PolarHBondContact O-N 3.26Å; V473-L476 VanDerWaalsContact O-N 3.14Å; V473-L477 HydrophobicContact CG1-CD1 3.89Å; V473-L477 HydrophobicContact CG1-CG 4.12Å; V473-L477 VanDerWaalsContact O-CG 3.28Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 3.34Å; V473-V497 HydrophobicContact CG2-CG1 4.28Å; V473-Y501 VanDerWaalsContact CG2-CB 3.44Å; V473-Y501 HydrophobicContact CG2-CD1 3.98Å; V473-Y501 HydrophobicContact CG2-CD2 3.86Å; V473-Y501 HydrophobicContact CG2-CG 3.48Å; V473-Y501 VanDerWaalsContact CG2-CG 3.48Å; V473-V503 HydrophobicContact CG1-CG2 4.46Å; V473-V503 HydrophobicContact CG2-CG2 4.32Å |
| 474 | N | 81.4 | Confident | 77.7 | Confident | 92 Ų | 92 | 73 Ų | 73 | 49% | 0.492 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 179.2 | -72 | -6.5 | 0 | 0 | 0 | 112.5 | H470 L471 L476 L477 L478 | H470-N474 VanDerWaalsContact O-CG 3.28Å; H470-N474 PolarHBondContact O-N 3.46Å; L471-N474 PolarHBondContact O-N 3.45Å; N474-L476 PolarHBondContact O-N 3Å; N474-L477 PolarHBondContact O-N 2.98Å; N474-L478 WeakPolarHBondContact O-CG 3.44Å; N474-L478 PolarHBondContact O-N 3.48Å |
| 475 | L | 84.9 | Confident | 77.8 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.4 | -72.2 | 167.9 | 0 | 0 | 0 | 112.1 | L467 L471 L472 V473 L478 | L467-L475 HydrophobicContact CD2-CD1 3.56Å; L471-L475 WeakPolarHBondContact O-CG 3.39Å; L471-L475 PolarHBondContact O-N 3.01Å; L472-L475 PolarHBondContact O-N 2.94Å; V473-L475 VanDerWaalsContact C-N 3.35Å; V473-L475 PolarHBondContact O-N 3.36Å; L475-L478 PolarHBondContact O-N 3.33Å |
| 476 | L | 83 | Confident | 78.1 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.9 | -27.4 | -179.9 | -64.2 | 164.8 | 0 | 0 | 0 | 112.6 | L472 V473 N474 L478 L479 L484 L487 F494 V497 V503 | L472-L476 HydrophobicContact CD2-CD1 4.37Å; L472-L476 HydrophobicContact CG-CD1 3.89Å; L472-L476 WeakPolarHBondContact O-CB 3.34Å; L472-L476 WeakPolarHBondContact O-CD1 3.28Å; L472-L476 WeakPolarHBondContact O-CG 3.44Å; L472-L476 PolarHBondContact O-N 3.43Å; V473-L476 PolarHBondContact O-N 3.26Å; V473-L476 VanDerWaalsContact O-N 3.14Å; N474-L476 PolarHBondContact O-N 3Å; L476-L478 PolarHBondContact O-N 3.48Å; L476-L479 HydrophobicContact CD2-CD1 3.9Å; L476-L479 PolarHBondContact O-N 3.02Å; L476-L484 HydrophobicContact CB-CD2 4.16Å; L476-L484 HydrophobicContact CD2-CD2 4.13Å; L476-L484 WeakPolarHBondContact O-CD2 3.14Å; L476-L487 HydrophobicContact CD2-CD1 3.82Å; L476-F494 HydrophobicContact CB-CE2 4.36Å; L476-F494 HydrophobicContact CD1-CD2 3.7Å; L476-F494 HydrophobicContact CD1-CE2 3.78Å; L476-F494 HydrophobicContact CD2-CD2 3.87Å; L476-F494 HydrophobicContact CD2-CE2 3.72Å; L476-F494 HydrophobicContact CG-CD2 4.37Å; L476-F494 HydrophobicContact CG-CE2 4.16Å; L476-V497 HydrophobicContact CD1-CG1 3.76Å; L476-V503 HydrophobicContact CB-CG1 3.73Å |
| 477 | L | 80.5 | Confident | 78.1 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -26.5 | 172.3 | -73.2 | 174.7 | 0 | 0 | 0 | 112.7 | V473 N474 L479 V503 R504 A506 | V473-L477 HydrophobicContact CG1-CD1 3.89Å; V473-L477 HydrophobicContact CG1-CG 4.12Å; V473-L477 VanDerWaalsContact O-CG 3.28Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 3.34Å; N474-L477 PolarHBondContact O-N 2.98Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-V503 HydrophobicContact CD2-CG1 4.06Å; L477-V503 HydrophobicContact CG-CG1 4.43Å; L477-R504 WeakPolarHBondContact CA-O 3.37Å; L477-R504 HydrophobicContact CD2-CB 4.19Å; L477-R504 VanDerWaalsContact CD2-N 3.26Å; L477-R504 VanDerWaalsContact CD2-O 3.31Å; L477-R504 WeakPolarHBondContact CD2-O 3.21Å; L477-A506 PolarHBondContact O-N 3.24Å |
| 478 | L | 82.5 | Confident | 78 | Confident | 134 Ų | 134 | 65.7 Ų | 65.7 | 70% | 0.702 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.1 | 178.6 | -66 | 170.3 | 0 | 0 | 0 | 113.6 | N474 L475 L476 | N474-L478 WeakPolarHBondContact O-CG 3.44Å; N474-L478 PolarHBondContact O-N 3.48Å; L475-L478 PolarHBondContact O-N 3.33Å; L476-L478 PolarHBondContact O-N 3.48Å |
| 479 | L | 81.2 | Confident | 77.2 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -86 | 148.3 | -178.9 | -68 | -179.9 | 0 | 0 | 0 | 112.5 | L476 L477 L484 L487 P505 A506 | L476-L479 HydrophobicContact CD2-CD1 3.9Å; L476-L479 PolarHBondContact O-N 3.02Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L479-L484 HydrophobicContact CB-CD1 4.1Å; L479-L484 HydrophobicContact CB-CD2 3.97Å; L479-L484 HydrophobicContact CB-CG 3.76Å; L479-L484 HydrophobicContact CD1-CD2 4.03Å; L479-L484 WeakPolarHBondContact O-CD1 3.33Å; L479-L487 HydrophobicContact CD1-CD1 3.58Å; L479-P505 VanDerWaalsContact O-CA 3.28Å; L479-P505 WeakPolarHBondContact O-CA 3.22Å; L479-A506 PolarHBondContact O-N 3.41Å |
| 480 | P | 69.8 | Low | 76.9 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | trans | -76.2 | 162.7 | 174.5 | 31.7 | -35.7 | 0 | 0 | 0 | 112.8 | Q482 S483 L484 D507 | P480-Q482 PolarHBondContact O-N 3.35Å; P480-S483 PolarHBondContact O-N 2.65Å; P480-L484 PolarHBondContact O-N 3.27Å; P480-D507 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 481 | T | 67.9 | Low | 76.6 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -49.2 | -43.3 | 180 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | L484 A485 P505 D507 | T481-L484 PolarHBondContact O-N 2.62Å; T481-A485 WeakPolarHBondContact O-CB 3.31Å; T481-A485 PolarHBondContact O-N 3.17Å; T481-P505 HydrophobicContact CG2-CB 3.84Å; T481-P505 HydrophobicContact CG2-CG 3.72Å; T481-D507 WeakPolarHBondContact CB-OD2 3.37Å; T481-D507 WeakPolarHBondContact CG2-OD1 3.42Å; T481-D507 WeakPolarHBondContact CG2-OD2 3.19Å; T481-D507 VanDerWaalsContact N-CG 3.25Å; T481-D507 PolarHBondContact N-OD1 2.92Å; T481-D507 PolarHBondContact N-OD2 3.23Å; T481-D507 PolarHBondContact OG1-OD2 3.23Å |
| 482 | Q | 68.4 | Low | 76.1 | Confident | 159 Ų | 159 | 67 Ų | 67 | 74% | 0.743 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 179.2 | -174.2 | 179.4 | 3.3 | 0 | 0 | 112.2 | P480 A485 A486 | P480-Q482 PolarHBondContact O-N 3.35Å; Q482-A485 PolarHBondContact O-N 3.05Å; Q482-A486 WeakPolarHBondContact O-CB 3.47Å; Q482-A486 PolarHBondContact O-N 2.93Å |
| 483 | S | 76.6 | Confident | 75.8 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 179.8 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | P480 A486 L487 | P480-S483 PolarHBondContact O-N 2.65Å; S483-A486 PolarHBondContact O-N 3.39Å; S483-L487 WeakPolarHBondContact O-CG 2.99Å; S483-L487 PolarHBondContact O-N 2.89Å |
| 484 | L | 75.8 | Confident | 75.4 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 176.2 | -66.6 | 164.9 | 0 | 0 | 0 | 111.9 | L476 L479 P480 T481 L487 K488 F494 P505 | L476-L484 HydrophobicContact CB-CD2 4.16Å; L476-L484 HydrophobicContact CD2-CD2 4.13Å; L476-L484 WeakPolarHBondContact O-CD2 3.14Å; L479-L484 HydrophobicContact CB-CD1 4.1Å; L479-L484 HydrophobicContact CB-CD2 3.97Å; L479-L484 HydrophobicContact CB-CG 3.76Å; L479-L484 HydrophobicContact CD1-CD2 4.03Å; L479-L484 WeakPolarHBondContact O-CD1 3.33Å; P480-L484 PolarHBondContact O-N 3.27Å; T481-L484 PolarHBondContact O-N 2.62Å; L484-L487 HydrophobicContact CD2-CD1 4.34Å; L484-L487 PolarHBondContact O-N 3Å; L484-K488 WeakPolarHBondContact O-CB 3.25Å; L484-K488 PolarHBondContact O-N 2.74Å; L484-F494 HydrophobicContact CB-CZ 4.1Å; L484-F494 HydrophobicContact CD2-CE1 4.44Å; L484-F494 HydrophobicContact CD2-CE2 3.65Å; L484-F494 HydrophobicContact CD2-CZ 3.37Å; L484-F494 HydrophobicContact CG-CZ 4.33Å; L484-F494 VanDerWaalsContact O-CE1 3.25Å; L484-F494 WeakPolarHBondContact O-CE1 3.42Å; L484-P505 VanDerWaalsContact CD1-CA 3.44Å; L484-P505 HydrophobicContact CD1-CB 3.65Å; L484-P505 HydrophobicContact CD1-CG 3.57Å |
| 485 | A | 68.6 | Low | 75 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T481 Q482 K488 C489 | T481-A485 WeakPolarHBondContact O-CB 3.31Å; T481-A485 PolarHBondContact O-N 3.17Å; Q482-A485 PolarHBondContact O-N 3.05Å; A485-K488 PolarHBondContact O-N 3.39Å; A485-C489 PolarHBondContact O-N 3.04Å; A485-C489 PolarHBondContact O-SG 3.34Å; A485-C489 VanDerWaalsContact O-SG 3.42Å |
| 486 | A | 71.4 | Confident | 74.7 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q482 S483 K488 C489 T490 | Q482-A486 WeakPolarHBondContact O-CB 3.47Å; Q482-A486 PolarHBondContact O-N 2.93Å; S483-A486 PolarHBondContact O-N 3.39Å; A486-K488 VanDerWaalsContact C-N 3.31Å; A486-K488 PolarHBondContact O-N 2.99Å; A486-C489 WeakPolarHBondContact O-CA 3.5Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 2.82Å; A486-T490 PolarHBondContact O-N 2.9Å; A486-T490 PolarHBondContact O-OG1 3.46Å |
| 487 | L | 76 | Confident | 74.4 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 175.7 | -71.9 | 167.8 | 0 | 0 | 0 | 112.7 | L476 L479 S483 L484 C489 T490 C491 F494 | L476-L487 HydrophobicContact CD2-CD1 3.82Å; L479-L487 HydrophobicContact CD1-CD1 3.58Å; S483-L487 WeakPolarHBondContact O-CG 2.99Å; S483-L487 PolarHBondContact O-N 2.89Å; L484-L487 HydrophobicContact CD2-CD1 4.34Å; L484-L487 PolarHBondContact O-N 3Å; L487-C489 PolarHBondContact O-N 3.48Å; L487-T490 PolarHBondContact O-N 2.91Å; L487-C491 WeakPolarHBondContact O-CB 3.29Å; L487-C491 PolarHBondContact O-N 3.36Å; L487-F494 HydrophobicContact CB-CD1 3.53Å; L487-F494 HydrophobicContact CB-CD2 4.49Å; L487-F494 HydrophobicContact CB-CE1 3.67Å; L487-F494 HydrophobicContact CB-CG 3.96Å; L487-F494 HydrophobicContact CB-CZ 4.26Å |
| 488 | K | 73.7 | Confident | 74 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.9 | -19.8 | 175 | -160 | 168.2 | -174.3 | 168.5 | 0 | 112.7 | L484 A485 A486 F494 I498 D532 | L484-K488 WeakPolarHBondContact O-CB 3.25Å; L484-K488 PolarHBondContact O-N 2.74Å; A485-K488 PolarHBondContact O-N 3.39Å; A486-K488 VanDerWaalsContact C-N 3.31Å; A486-K488 PolarHBondContact O-N 2.99Å; K488-F494 HydrophobicContact CB-CD1 4.26Å; K488-F494 HydrophobicContact CB-CE1 4Å; K488-I498 HydrophobicContact CB-CD1 4.47Å; K488-I498 HydrophobicContact CD-CD1 3.82Å; K488-I498 HydrophobicContact CG-CD1 4.08Å; K488-D532 IonicContact NZ-OD1 2.85Å; K488-D532 PolarHBondContact NZ-OD1 3.07Å |
| 489 | C | 69.4 | Low | 73.4 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 75% | 0.75 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -96.8 | -27 | 176.3 | -68.6 | 0 | 0 | 0 | 0 | 113.6 | A485 A486 L487 | A485-C489 PolarHBondContact O-N 3.04Å; A485-C489 PolarHBondContact O-SG 3.34Å; A485-C489 VanDerWaalsContact O-SG 3.42Å; A486-C489 WeakPolarHBondContact O-CA 3.5Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 2.82Å; L487-C489 PolarHBondContact O-N 3.48Å |
| 490 | T | 71.5 | Confident | 73.2 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -102.3 | -26.7 | -176.5 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | A486 L487 | A486-T490 PolarHBondContact O-N 2.9Å; A486-T490 PolarHBondContact O-OG1 3.46Å; L487-T490 PolarHBondContact O-N 2.91Å |
| 491 | C | 75 | Confident | 73.3 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | trans | -120.1 | 111.6 | -172.2 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | L487 Y493 F494 | L487-C491 WeakPolarHBondContact O-CB 3.29Å; L487-C491 PolarHBondContact O-N 3.36Å; C491-Y493 PolarHBondContact O-N 3.18Å; C491-F494 HydrophobicContact CB-CB 3.8Å; C491-F494 PolarHBondContact O-N 3.45Å; C491-F494 PolarHBondContact SG-N 3.23Å; C491-F494 VanDerWaalsContact SG-N 3.43Å | ||
| 492 | S | 74.2 | Confident | 73.3 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 78% | 0.783 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 176 | 53.2 | 0 | 0 | 0 | 0 | 113 | K495 | S492-K495 WeakPolarHBondContact O-CB 3.34Å; S492-K495 PolarHBondContact O-N 2.8Å |
| 493 | Y | 77.4 | Confident | 73.4 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 19% | 0.192 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 176.1 | 176 | -116.5 | 0 | 0 | 0 | 112.1 | L465 H469 L472 C491 K495 F496 V497 | L465-Y493 HydrophobicContact CD2-CD1 3.6Å; L465-Y493 HydrophobicContact CD2-CD2 3.77Å; L465-Y493 HydrophobicContact CD2-CE1 3.63Å; L465-Y493 HydrophobicContact CD2-CE2 3.83Å; L465-Y493 HydrophobicContact CD2-CG 3.66Å; H469-Y493 PolarHBondContact CD2-OH 2.83Å; H469-Y493 PolarHBondContact NE2-OH 3.31Å; L472-Y493 HydrophobicContact CD2-CE1 3.57Å; C491-Y493 PolarHBondContact O-N 3.18Å; Y493-K495 PolarHBondContact O-N 2.98Å; Y493-F496 HydrophobicContact CD2-CD1 4.28Å; Y493-F496 HydrophobicContact CE2-CD1 4.02Å; Y493-F496 HydrophobicContact CE2-CE1 4.41Å; Y493-F496 WeakPolarHBondContact O-CA 3.47Å; Y493-F496 WeakPolarHBondContact O-CB 3.49Å; Y493-F496 PolarHBondContact O-N 3.42Å; Y493-V497 HydrophobicContact CD1-CG2 4.11Å; Y493-V497 HydrophobicContact CE1-CG2 3.78Å; Y493-V497 HydrophobicContact CE2-CG2 4.21Å; Y493-V497 HydrophobicContact CG-CG2 4.47Å; Y493-V497 WeakPolarHBondContact O-CG2 3.2Å; Y493-V497 PolarHBondContact O-N 3.29Å |
| 494 | F | 75.2 | Confident | 73 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -28.4 | 177.5 | 174.2 | -106.6 | 0 | 0 | 0 | 113.1 | L476 L484 L487 K488 C491 V497 I498 | L476-F494 HydrophobicContact CB-CE2 4.36Å; L476-F494 HydrophobicContact CD1-CD2 3.7Å; L476-F494 HydrophobicContact CD1-CE2 3.78Å; L476-F494 HydrophobicContact CD2-CD2 3.87Å; L476-F494 HydrophobicContact CD2-CE2 3.72Å; L476-F494 HydrophobicContact CG-CD2 4.37Å; L476-F494 HydrophobicContact CG-CE2 4.16Å; L484-F494 HydrophobicContact CB-CZ 4.1Å; L484-F494 HydrophobicContact CD2-CE1 4.44Å; L484-F494 HydrophobicContact CD2-CE2 3.65Å; L484-F494 HydrophobicContact CD2-CZ 3.37Å; L484-F494 HydrophobicContact CG-CZ 4.33Å; L484-F494 VanDerWaalsContact O-CE1 3.25Å; L484-F494 WeakPolarHBondContact O-CE1 3.42Å; L487-F494 HydrophobicContact CB-CD1 3.53Å; L487-F494 HydrophobicContact CB-CD2 4.49Å; L487-F494 HydrophobicContact CB-CE1 3.67Å; L487-F494 HydrophobicContact CB-CG 3.96Å; L487-F494 HydrophobicContact CB-CZ 4.26Å; K488-F494 HydrophobicContact CB-CD1 4.26Å; K488-F494 HydrophobicContact CB-CE1 4Å; C491-F494 HydrophobicContact CB-CB 3.8Å; C491-F494 PolarHBondContact O-N 3.45Å; C491-F494 PolarHBondContact SG-N 3.23Å; C491-F494 VanDerWaalsContact SG-N 3.43Å; F494-V497 PolarHBondContact O-N 3.32Å; F494-I498 HydrophobicContact CD1-CD1 3.87Å; F494-I498 HydrophobicContact CD1-CG1 4.47Å; F494-I498 HydrophobicContact CE1-CD1 3.26Å; F494-I498 HydrophobicContact CE1-CG1 3.94Å; F494-I498 HydrophobicContact CE2-CD1 4.27Å; F494-I498 HydrophobicContact CE2-CG1 4.02Å; F494-I498 HydrophobicContact CZ-CD1 3.48Å; F494-I498 VanDerWaalsContact CZ-CD1 3.48Å; F494-I498 HydrophobicContact CZ-CG1 3.67Å; F494-I498 WeakPolarHBondContact O-CG1 3.47Å; F494-I498 PolarHBondContact O-N 2.98Å |
| 495 | K | 72.2 | Confident | 72.6 | Confident | 106 Ų | 106 | 61 Ų | 61 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 168.8 | -176.4 | -163.6 | 160.9 | -167.1 | 0 | 111.5 | S492 Y493 V497 I498 E499 | S492-K495 WeakPolarHBondContact O-CB 3.34Å; S492-K495 PolarHBondContact O-N 2.8Å; Y493-K495 PolarHBondContact O-N 2.98Å; K495-V497 VanDerWaalsContact C-N 3.3Å; K495-V497 PolarHBondContact O-N 3.23Å; K495-I498 PolarHBondContact O-N 3.01Å; K495-E499 VanDerWaalsContact CE-CD 3.42Å; K495-E499 WeakPolarHBondContact CE-OE1 3.44Å; K495-E499 WeakPolarHBondContact CE-OE2 3.48Å; K495-E499 IonicContact NZ-OE1 3.42Å; K495-E499 WeakPolarHBondContact O-CG 3.45Å; K495-E499 PolarHBondContact O-N 3.34Å |
| 496 | F | 79.1 | Confident | 72.4 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 175.7 | 169 | -87.5 | 0 | 0 | 0 | 111.4 | Y493 E499 N500 | Y493-F496 HydrophobicContact CD2-CD1 4.28Å; Y493-F496 HydrophobicContact CE2-CD1 4.02Å; Y493-F496 HydrophobicContact CE2-CE1 4.41Å; Y493-F496 WeakPolarHBondContact O-CA 3.47Å; Y493-F496 WeakPolarHBondContact O-CB 3.49Å; Y493-F496 PolarHBondContact O-N 3.42Å; F496-E499 PolarHBondContact O-N 3.08Å; F496-N500 VanDerWaalsContact CD2-ND2 3.26Å; F496-N500 WeakPolarHBondContact CD2-ND2 3.24Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.16Å; F496-N500 WeakPolarHBondContact CZ-ND2 3.47Å; F496-N500 PolarHBondContact O-N 3.33Å; F496-N500 VanDerWaalsContact O-N 3.08Å; F496-N500 PolarHBondContact O-ND2 3.28Å |
| 497 | V | 75.6 | Confident | 71.6 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | L472 V473 L476 Y493 F494 K495 Y501 V503 | L472-V497 HydrophobicContact CD2-CG1 4.18Å; L472-V497 HydrophobicContact CD2-CG2 3.69Å; V473-V497 HydrophobicContact CG2-CG1 4.28Å; L476-V497 HydrophobicContact CD1-CG1 3.76Å; Y493-V497 HydrophobicContact CD1-CG2 4.11Å; Y493-V497 HydrophobicContact CE1-CG2 3.78Å; Y493-V497 HydrophobicContact CE2-CG2 4.21Å; Y493-V497 HydrophobicContact CG-CG2 4.47Å; Y493-V497 WeakPolarHBondContact O-CG2 3.2Å; Y493-V497 PolarHBondContact O-N 3.29Å; F494-V497 PolarHBondContact O-N 3.32Å; K495-V497 VanDerWaalsContact C-N 3.3Å; K495-V497 PolarHBondContact O-N 3.23Å; V497-Y501 HydrophobicContact CG1-CD2 4.07Å; V497-Y501 WeakPolarHBondContact O-CB 3.4Å; V497-Y501 PolarHBondContact O-N 2.96Å; V497-V503 HydrophobicContact CG1-CG2 4.03Å |
| 498 | I | 72.4 | Confident | 70.9 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 171.6 | -68.9 | 163.6 | 0 | 0 | 0 | 110.8 | K488 F494 K495 N500 S502 G531 | K488-I498 HydrophobicContact CB-CD1 4.47Å; K488-I498 HydrophobicContact CD-CD1 3.82Å; K488-I498 HydrophobicContact CG-CD1 4.08Å; F494-I498 HydrophobicContact CD1-CD1 3.87Å; F494-I498 HydrophobicContact CD1-CG1 4.47Å; F494-I498 HydrophobicContact CE1-CD1 3.26Å; F494-I498 HydrophobicContact CE1-CG1 3.94Å; F494-I498 HydrophobicContact CE2-CD1 4.27Å; F494-I498 HydrophobicContact CE2-CG1 4.02Å; F494-I498 HydrophobicContact CZ-CD1 3.48Å; F494-I498 VanDerWaalsContact CZ-CD1 3.48Å; F494-I498 HydrophobicContact CZ-CG1 3.67Å; F494-I498 WeakPolarHBondContact O-CG1 3.47Å; F494-I498 PolarHBondContact O-N 2.98Å; K495-I498 PolarHBondContact O-N 3.01Å; I498-N500 VanDerWaalsContact C-N 3.27Å; I498-N500 PolarHBondContact O-N 2.75Å; I498-S502 WeakPolarHBondContact O-CA 3.2Å; I498-S502 PolarHBondContact O-N 3.49Å; I498-G531 WeakPolarHBondContact CG2-O 3.21Å |
| 499 | E | 71 | Confident | 69.7 | Low | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.9 | -25.7 | -171.5 | -74.6 | 177.7 | 169.9 | 0 | 0 | 113.6 | K495 F496 | K495-E499 VanDerWaalsContact CE-CD 3.42Å; K495-E499 WeakPolarHBondContact CE-OE1 3.44Å; K495-E499 WeakPolarHBondContact CE-OE2 3.48Å; K495-E499 IonicContact NZ-OE1 3.42Å; K495-E499 WeakPolarHBondContact O-CG 3.45Å; K495-E499 PolarHBondContact O-N 3.34Å; F496-E499 PolarHBondContact O-N 3.08Å |
| 500 | N | 75.5 | Confident | 68.8 | Low | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -94.4 | -46.2 | 175.6 | -69.6 | -82.6 | 0 | 0 | 0 | 113.1 | F496 I498 | F496-N500 VanDerWaalsContact CD2-ND2 3.26Å; F496-N500 WeakPolarHBondContact CD2-ND2 3.24Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.16Å; F496-N500 WeakPolarHBondContact CZ-ND2 3.47Å; F496-N500 PolarHBondContact O-N 3.33Å; F496-N500 VanDerWaalsContact O-N 3.08Å; F496-N500 PolarHBondContact O-ND2 3.28Å; I498-N500 VanDerWaalsContact C-N 3.27Å; I498-N500 PolarHBondContact O-N 2.75Å |
| 501 | Y | 73.3 | Confident | 67.5 | Low | 99 Ų | 99 | 55.9 Ų | 55.9 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -99.7 | 0.7 | -168.6 | -60.8 | -76 | 0 | 0 | 0 | 114.6 | H469 V473 V497 V503 | H469-Y501 HydrophobicContact CB-CE1 4.39Å; H469-Y501 HydrophobicContact CB-CE2 4.07Å; H469-Y501 WeakPolarHBondContact CB-OH 3.42Å; H469-Y501 AromaticContact CD2-CE2 3.95Å; H469-Y501 AromaticContact CG-CZ 3.89Å; H469-Y501 VanDerWaalsContact CG-OH 3.28Å; H469-Y501 PolarHBondContact ND1-OH 3.48Å; V473-Y501 VanDerWaalsContact CG2-CB 3.44Å; V473-Y501 HydrophobicContact CG2-CD1 3.98Å; V473-Y501 HydrophobicContact CG2-CD2 3.86Å; V473-Y501 HydrophobicContact CG2-CG 3.48Å; V473-Y501 VanDerWaalsContact CG2-CG 3.48Å; V497-Y501 HydrophobicContact CG1-CD2 4.07Å; V497-Y501 WeakPolarHBondContact O-CB 3.4Å; V497-Y501 PolarHBondContact O-N 2.96Å; Y501-V503 PolarHBondContact O-N 2.93Å |
| 502 | S | 66.7 | Low | 66.3 | Low | 34 Ų | 34 | 58.7 Ų | 58.7 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | trans | 56.7 | 32.3 | 177 | -58.9 | 0 | 0 | 0 | 0 | 114.9 | I498 R504 P530 | I498-S502 WeakPolarHBondContact O-CA 3.2Å; I498-S502 PolarHBondContact O-N 3.49Å; S502-R504 PolarHBondContact O-N 3.32Å; S502-P530 WeakPolarHBondContact OG-CB 3.26Å; S502-P530 PolarHBondContact OG-O 2.83Å | ||
| 503 | V | 70.6 | Confident | 65 | Low | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | trans | -51.3 | 128.1 | -174 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | V473 L476 L477 V497 Y501 V533 | V473-V503 HydrophobicContact CG1-CG2 4.46Å; V473-V503 HydrophobicContact CG2-CG2 4.32Å; L476-V503 HydrophobicContact CB-CG1 3.73Å; L477-V503 HydrophobicContact CD2-CG1 4.06Å; L477-V503 HydrophobicContact CG-CG1 4.43Å; V497-V503 HydrophobicContact CG1-CG2 4.03Å; Y501-V503 PolarHBondContact O-N 2.93Å; V503-V533 WeakPolarHBondContact O-CG2 3.34Å | ||
| 504 | R | 67.7 | Low | 63.6 | Low | 67 Ų | 67 | 57.4 Ų | 57.4 | 25% | 0.253 | 31% | 0.307 | S | S | . | . | trans | -110.2 | 134.7 | 177.4 | -65.8 | -175.8 | 179.4 | -95.9 | 7.3 | 112.2 | L477 S502 V533 | L477-R504 WeakPolarHBondContact CA-O 3.37Å; L477-R504 HydrophobicContact CD2-CB 4.19Å; L477-R504 VanDerWaalsContact CD2-N 3.26Å; L477-R504 VanDerWaalsContact CD2-O 3.31Å; L477-R504 WeakPolarHBondContact CD2-O 3.21Å; S502-R504 PolarHBondContact O-N 3.32Å; R504-V533 HydrophobicContact CB-CG1 4.42Å; R504-V533 HydrophobicContact CG-CG1 4.06Å | ||
| 505 | P | 67.6 | Low | 62.2 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | trans | -57.7 | 147.5 | 168.1 | -20.1 | 24.9 | 0 | 0 | 0 | 113.9 | L479 T481 L484 D507 S508 V533 | L479-P505 VanDerWaalsContact O-CA 3.28Å; L479-P505 WeakPolarHBondContact O-CA 3.22Å; T481-P505 HydrophobicContact CG2-CB 3.84Å; T481-P505 HydrophobicContact CG2-CG 3.72Å; L484-P505 VanDerWaalsContact CD1-CA 3.44Å; L484-P505 HydrophobicContact CD1-CB 3.65Å; L484-P505 HydrophobicContact CD1-CG 3.57Å; P505-D507 VanDerWaalsContact C-N 3.29Å; P505-D507 WeakPolarHBondContact CB-OD1 3.22Å; P505-D507 PolarHBondContact O-N 3.28Å; P505-S508 VanDerWaalsContact O-CB 3.29Å; P505-S508 WeakPolarHBondContact O-CB 3.16Å; P505-S508 PolarHBondContact O-N 3.36Å; P505-S508 PolarHBondContact O-OG 3.14Å; P505-V533 HydrophobicContact CG-CB 4.44Å; P505-V533 HydrophobicContact CG-CG2 4.5Å | ||
| 506 | A | 64.4 | Low | 61.1 | Low | 70 Ų | 70 | 58.9 Ų | 58.9 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L477 L479 S508 | L477-A506 PolarHBondContact O-N 3.24Å; L479-A506 PolarHBondContact O-N 3.41Å; A506-S508 VanDerWaalsContact C-N 3.27Å; A506-S508 PolarHBondContact O-N 3.3Å |
| 507 | D | 55.1 | Low | 59.7 | Low | 55 Ų | 55 | 60.9 Ų | 60.9 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 7.9 | 173.7 | 65 | -29 | 0 | 0 | 0 | 113.2 | P480 T481 P505 L509 | P480-D507 WeakPolarHBondContact CA-OD1 3.41Å; T481-D507 WeakPolarHBondContact CB-OD2 3.37Å; T481-D507 WeakPolarHBondContact CG2-OD1 3.42Å; T481-D507 WeakPolarHBondContact CG2-OD2 3.19Å; T481-D507 VanDerWaalsContact N-CG 3.25Å; T481-D507 PolarHBondContact N-OD1 2.92Å; T481-D507 PolarHBondContact N-OD2 3.23Å; T481-D507 PolarHBondContact OG1-OD2 3.23Å; P505-D507 VanDerWaalsContact C-N 3.29Å; P505-D507 WeakPolarHBondContact CB-OD1 3.22Å; P505-D507 PolarHBondContact O-N 3.28Å; D507-L509 PolarHBondContact O-N 3.44Å |
| 508 | S | 60.9 | Low | 58.4 | Low | 24 Ų | 24 | 65.7 Ų | 65.7 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | trans | -75.3 | 89.7 | 174.4 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | P505 A506 W510 | P505-S508 VanDerWaalsContact O-CB 3.29Å; P505-S508 WeakPolarHBondContact O-CB 3.16Å; P505-S508 PolarHBondContact O-N 3.36Å; P505-S508 PolarHBondContact O-OG 3.14Å; A506-S508 VanDerWaalsContact C-N 3.27Å; A506-S508 PolarHBondContact O-N 3.3Å; S508-W510 PolarHBondContact O-N 3.34Å | ||
| 509 | L | 48.4 | Very low | 57.3 | Low | 95 Ų | 95 | 66.8 Ų | 66.8 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | trans | -68.4 | 44.1 | 172 | -60.3 | 164.6 | 0 | 0 | 0 | 112.2 | D507 D573 N574 | D507-L509 PolarHBondContact O-N 3.44Å; L509-D573 WeakPolarHBondContact CB-OD1 3.42Å; L509-D573 WeakPolarHBondContact CD1-OD1 3.39Å; L509-N574 PolarHBondContact O-N 3.13Å | ||
| 510 | W | 50.3 | Low | 56.2 | Low | 48 Ų | 48 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -105.7 | 120.4 | -177.5 | -75.3 | 42.6 | 0 | 0 | 0 | 108.1 | S508 S512 Y516 V533 | S508-W510 PolarHBondContact O-N 3.34Å; W510-S512 PolarHBondContact O-N 3.33Å; W510-Y516 AromaticContact CD2-CE1 3.91Å; W510-Y516 HydrophobicContact CD2-CE1 3.91Å; W510-Y516 AromaticContact CE3-CD1 3.81Å; W510-Y516 HydrophobicContact CE3-CD1 3.81Å; W510-Y516 AromaticContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CH2-CE1 4.48Å; W510-Y516 HydrophobicContact CZ3-CD1 4.25Å; W510-Y516 AromaticContact CZ3-CE1 3.62Å; W510-Y516 HydrophobicContact CZ3-CE1 3.62Å; W510-V533 HydrophobicContact CD2-CG1 4.26Å; W510-V533 HydrophobicContact CE3-CG1 4.2Å; W510-V533 WeakPolarHBondContact CZ2-O 3.06Å; W510-V533 HydrophobicContact CZ3-CG1 4.45Å | ||
| 511 | V | 45.6 | Very low | 55.1 | Low | 55 Ų | 55 | 59.9 Ų | 59.9 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | trans | -64.6 | 123.8 | 178 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | D513 Y516 R575 | V511-D513 HydrophobicContact CG1-CB 3.84Å; V511-D513 PolarHBondContact O-N 2.81Å; V511-Y516 WeakPolarHBondContact O-CB 3.12Å; V511-R575 HydrophobicContact CG2-CB 4.44Å; V511-R575 HydrophobicContact CG2-CG 4.34Å | ||
| 512 | S | 48.2 | Very low | 54 | Low | 90 Ų | 90 | 60.8 Ų | 60.8 | 63% | 0.629 | 32% | 0.321 | S | S | * | . | trans | -68.9 | 11.6 | -179.6 | -61.8 | 0 | 0 | 0 | 0 | 115.3 | W510 | W510-S512 PolarHBondContact O-N 3.33Š| ||
| 513 | D | 48.1 | Very low | 52.8 | Low | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | trans | -58.3 | 133.3 | 177.9 | -173.6 | -48.3 | 0 | 0 | 0 | 110.3 | V511 R515 Y516 | V511-D513 HydrophobicContact CG1-CB 3.84Å; V511-D513 PolarHBondContact O-N 2.81Å; D513-R515 PolarHBondContact O-N 3.22Å; D513-R515 VanDerWaalsContact O-N 3.11Å; D513-R515 WeakPolarHBondContact OD1-CB 3.1Å; D513-R515 VanDerWaalsContact OD1-CG 3.25Å; D513-R515 WeakPolarHBondContact OD1-CG 3.37Å; D513-R515 PolarHBondContact OD1-N 2.67Å; D513-R515 IonicContact OD1-NE 3.11Å; D513-R515 PolarHBondContact OD1-NE 3.03Å; D513-R515 IonicContact OD2-CZ 3.35Å; D513-R515 VanDerWaalsContact OD2-CZ 3.25Å; D513-R515 IonicContact OD2-NE 3.02Å; D513-R515 PolarHBondContact OD2-NE 2.82Å; D513-R515 IonicContact OD2-NH2 3.75Å; D513-R515 PolarHBondContact OD2-NH2 3.06Å; D513-Y516 VanDerWaalsContact O-CB 3.23Å; D513-Y516 WeakPolarHBondContact O-CB 3.47Å; D513-Y516 PolarHBondContact O-N 3.01Å | ||
| 514 | P | 48.3 | Very low | 51.8 | Low | 96 Ų | 96 | 65.7 Ų | 65.7 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -49.8 | -36.5 | 176.3 | -29.7 | 36.4 | 0 | 0 | 0 | 113.9 | Y516 R517 | P514-Y516 PolarHBondContact O-N 3.11Å; P514-Y516 VanDerWaalsContact O-N 3.13Å; P514-R517 WeakPolarHBondContact O-CB 3.46Å; P514-R517 PolarHBondContact O-N 2.9Å |
| 515 | R | 45.4 | Very low | 51.1 | Low | 132 Ų | 132 | 70.8 Ų | 70.8 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -61 | -21.6 | 178 | -60.8 | 175.8 | -71.1 | -179.3 | 1 | 113.3 | D513 W576 | D513-R515 PolarHBondContact O-N 3.22Å; D513-R515 VanDerWaalsContact O-N 3.11Å; D513-R515 WeakPolarHBondContact OD1-CB 3.1Å; D513-R515 VanDerWaalsContact OD1-CG 3.25Å; D513-R515 WeakPolarHBondContact OD1-CG 3.37Å; D513-R515 PolarHBondContact OD1-N 2.67Å; D513-R515 IonicContact OD1-NE 3.11Å; D513-R515 PolarHBondContact OD1-NE 3.03Å; D513-R515 IonicContact OD2-CZ 3.35Å; D513-R515 VanDerWaalsContact OD2-CZ 3.25Å; D513-R515 IonicContact OD2-NE 3.02Å; D513-R515 PolarHBondContact OD2-NE 2.82Å; D513-R515 IonicContact OD2-NH2 3.75Å; D513-R515 PolarHBondContact OD2-NH2 3.06Å; R515-W576 VanDerWaalsContact NH1-CZ3 3.31Å |
| 516 | Y | 49.3 | Very low | 50.4 | Low | 13 Ų | 13 | 76.5 Ų | 76.5 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -77 | -29.1 | 176.1 | -151.7 | -74.5 | 0 | 0 | 0 | 112.6 | W510 V511 D513 P514 D518 D519 K541 W554 N574 | W510-Y516 AromaticContact CD2-CE1 3.91Å; W510-Y516 HydrophobicContact CD2-CE1 3.91Å; W510-Y516 AromaticContact CE3-CD1 3.81Å; W510-Y516 HydrophobicContact CE3-CD1 3.81Å; W510-Y516 AromaticContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CH2-CE1 4.48Å; W510-Y516 HydrophobicContact CZ3-CD1 4.25Å; W510-Y516 AromaticContact CZ3-CE1 3.62Å; W510-Y516 HydrophobicContact CZ3-CE1 3.62Å; V511-Y516 WeakPolarHBondContact O-CB 3.12Å; D513-Y516 VanDerWaalsContact O-CB 3.23Å; D513-Y516 WeakPolarHBondContact O-CB 3.47Å; D513-Y516 PolarHBondContact O-N 3.01Å; P514-Y516 PolarHBondContact O-N 3.11Å; P514-Y516 VanDerWaalsContact O-N 3.13Å; Y516-D518 PolarHBondContact O-N 2.93Å; Y516-D518 VanDerWaalsContact O-N 3.16Å; Y516-D519 PolarHBondContact O-N 3.24Å; Y516-K541 PolarHBondContact OH-NZ 2.94Å; Y516-W554 AromaticContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CZ3 4.21Å; Y516-W554 AromaticContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CZ2 4.26Å; Y516-W554 AromaticContact CE2-CZ3 3.46Å; Y516-W554 HydrophobicContact CE2-CZ3 3.46Å; Y516-W554 VanDerWaalsContact CE2-CZ3 3.46Å; Y516-W554 AromaticContact CZ-CH2 3.8Å; Y516-N574 HydrophobicContact CE2-CB 3.49Å; Y516-N574 VanDerWaalsContact CE2-CB 3.49Å; Y516-N574 WeakPolarHBondContact OH-CB 3.25Å; Y516-N574 PolarHBondContact OH-OD1 3.15Å |
| 517 | R | 49.9 | Very low | 49.9 | Very low | 138 Ų | 138 | 81.5 Ų | 81.5 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.7 | -170.7 | -57.1 | -177.2 | 79.8 | 168.6 | 5 | 113.2 | P514 | P514-R517 WeakPolarHBondContact O-CB 3.46Å; P514-R517 PolarHBondContact O-N 2.9Å |
| 518 | D | 48.4 | Very low | 49.8 | Very low | 103 Ų | 103 | 80.9 Ų | 80.9 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -1.7 | -173.5 | -80.9 | -74.4 | 0 | 0 | 0 | 115.4 | Y516 P520 R527 | Y516-D518 PolarHBondContact O-N 2.93Å; Y516-D518 VanDerWaalsContact O-N 3.16Å; D518-P520 WeakPolarHBondContact O-CD 3.23Å; D518-P520 VanDerWaalsContact O-N 3.15Å; D518-R527 IonicContact OD1-NH1 3.23Å; D518-R527 PolarHBondContact OD1-NH1 2.82Å |
| 519 | D | 48.2 | Very low | 49.2 | Very low | 34 Ų | 34 | 88.9 Ų | 88.9 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | trans | -64.6 | 108.3 | -178.6 | 179.9 | 44.3 | 0 | 0 | 0 | 111.6 | Y516 Y528 K541 W554 | Y516-D519 PolarHBondContact O-N 3.24Å; D519-Y528 WeakPolarHBondContact O-CD2 3.25Å; D519-K541 WeakPolarHBondContact OD2-CE 3.19Å; D519-K541 IonicContact OD2-NZ 2.73Å; D519-K541 PolarHBondContact OD2-NZ 3.16Å; D519-W554 HydrophobicContact CB-CZ2 4.43Å; D519-W554 VanDerWaalsContact OD2-CZ2 3.3Å; D519-W554 WeakPolarHBondContact OD2-CZ2 3.48Å | ||
| 520 | P | 47.3 | Very low | 49 | Very low | 50 Ų | 50 | 87.6 Ų | 87.6 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | trans | -77.8 | 143.7 | 179.3 | 33.6 | -32.1 | 0 | 0 | 0 | 109.9 | D518 K522 K526 R527 | D518-P520 WeakPolarHBondContact O-CD 3.23Å; D518-P520 VanDerWaalsContact O-N 3.15Å; P520-K522 PolarHBondContact O-N 2.94Å; P520-K526 WeakPolarHBondContact CA-O 3.46Å; P520-R527 HydrophobicContact CB-CG 4.26Å | ||
| 521 | C | 54.1 | Low | 48.6 | Very low | 4 Ų | 4 | 85.9 Ų | 85.9 | 3% | 0.027 | 41% | 0.41 | C | S | . | . | trans | -57.3 | 115.6 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | Q523 C524 K525 K526 Y528 C536 | C521-Q523 PolarHBondContact O-N 2.93Å; C521-C524 VanDerWaalsContact CB-SG 3.52Å; C521-C524 PolarHBondContact O-N 3.18Å; C521-C524 VanDerWaalsContact SG-SG 3.66Å; C521-K525 VanDerWaalsContact O-CA 3.25Å; C521-K525 WeakPolarHBondContact O-CA 3.42Å; C521-K525 PolarHBondContact O-N 3.16Å; C521-K526 PolarHBondContact N-O 3.26Å; C521-K526 VanDerWaalsContact N-O 3.07Å; C521-Y528 HydrophobicContact CB-CE2 4.15Å; C521-C536 HydrophobicContact CB-CB 4.15Å; C521-C536 VanDerWaalsContact SG-CB 3.57Å | ||
| 522 | K | 48.9 | Very low | 48.6 | Very low | 118 Ų | 118 | 85.9 Ų | 85.9 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.8 | -175.3 | -71.1 | -167.1 | 177.3 | -174.7 | 0 | 114.3 | P520 | P520-K522 PolarHBondContact O-N 2.94Š|
| 523 | Q | 42.4 | Very low | 48.4 | Very low | 101 Ų | 101 | 82.4 Ų | 82.4 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -43.2 | -179.1 | -73.6 | -171.7 | -25.9 | 0 | 0 | 114.2 | C521 H539 P542 | C521-Q523 PolarHBondContact O-N 2.93Å; Q523-H539 HydrophobicContact CB-CB 4.11Å; Q523-H539 VanDerWaalsContact OE1-CB 3.31Å; Q523-H539 PolarHBondContact OE1-CD2 2.75Å; Q523-P542 HydrophobicContact CG-CG 4.23Å |
| 524 | C | 48.3 | Very low | 48.1 | Very low | 38 Ų | 38 | 83.1 Ų | 83.1 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -2 | 179.6 | 70.4 | 0 | 0 | 0 | 0 | 115.2 | C521 K526 C536 | C521-C524 VanDerWaalsContact CB-SG 3.52Å; C521-C524 PolarHBondContact O-N 3.18Å; C521-C524 VanDerWaalsContact SG-SG 3.66Å; C524-K526 HydrophobicContact CB-CG 4.39Å; C524-K526 PolarHBondContact O-N 2.89Å; C524-C536 PolarHBondContact SG-SG 3.47Å |
| 525 | K | 53.5 | Low | 48.2 | Very low | 175 Ų | 175 | 83.2 Ų | 83.2 | 76% | 0.761 | 39% | 0.386 | S | S | * | . | trans | 54.5 | 8.3 | -175.8 | -58.9 | -178.2 | -178.4 | 177.9 | 0 | 115.6 | C521 R527 | C521-K525 VanDerWaalsContact O-CA 3.25Å; C521-K525 WeakPolarHBondContact O-CA 3.42Å; C521-K525 PolarHBondContact O-N 3.16Å; K525-R527 PolarHBondContact O-N 3.07Å | ||
| 526 | K | 53.6 | Low | 48.1 | Very low | 130 Ų | 130 | 77.6 Ų | 77.6 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 118.8 | 175.2 | -67.1 | -173.5 | 176.1 | -172.7 | 0 | 109.1 | P520 C521 C524 Y528 | P520-K526 WeakPolarHBondContact CA-O 3.46Å; C521-K526 PolarHBondContact N-O 3.26Å; C521-K526 VanDerWaalsContact N-O 3.07Å; C524-K526 HydrophobicContact CB-CG 4.39Å; C524-K526 PolarHBondContact O-N 2.89Å; K526-Y528 PolarHBondContact O-N 2.88Å |
| 527 | R | 54.5 | Low | 47.6 | Very low | 174 Ų | 174 | 86.4 Ų | 86.4 | 66% | 0.657 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 125.1 | 155.1 | -69.2 | 178.1 | 175.9 | -91.7 | 1.1 | 107 | D518 P520 K525 | D518-R527 IonicContact OD1-NH1 3.23Å; D518-R527 PolarHBondContact OD1-NH1 2.82Å; P520-R527 HydrophobicContact CB-CG 4.26Å; K525-R527 PolarHBondContact O-N 3.07Å |
| 528 | Y | 52.7 | Low | 46.9 | Very low | 43 Ų | 43 | 88.5 Ų | 88.5 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.4 | 171 | -62.6 | -77.2 | 0 | 0 | 0 | 109.3 | D519 C521 K526 D532 C536 | D519-Y528 WeakPolarHBondContact O-CD2 3.25Å; C521-Y528 HydrophobicContact CB-CE2 4.15Å; K526-Y528 PolarHBondContact O-N 2.88Å; Y528-D532 HydrophobicContact CD1-CB 3.8Å; Y528-D532 HydrophobicContact CG-CB 4.35Å; Y528-C536 HydrophobicContact CE1-CB 4.47Å; Y528-C536 WeakPolarHBondContact OH-CA 3.47Å; Y528-C536 WeakPolarHBondContact OH-CB 2.83Å; Y528-C536 PolarHBondContact OH-N 2.04Å |
| 529 | R | 48.3 | Very low | 46.5 | Very low | 192 Ų | 192 | 86.2 Ų | 86.2 | 73% | 0.725 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 151.1 | 162.8 | -74.6 | -170.4 | 171.1 | -169.2 | -3.6 | 109 | G531 D532 | R529-G531 PolarHBondContact O-N 3.33Å; R529-G531 VanDerWaalsContact O-N 3.15Å; R529-D532 PolarHBondContact O-N 3.27Å |
| 530 | P | 43 | Very low | 46.1 | Very low | 68 Ų | 68 | 91.3 Ų | 91.3 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 123 | 167.2 | -28.7 | 37.4 | 0 | 0 | 0 | 110.3 | S502 | S502-P530 WeakPolarHBondContact OG-CB 3.26Å; S502-P530 PolarHBondContact OG-O 2.83Å |
| 531 | G | 42.6 | Very low | 45.9 | Very low | 11 Ų | 11 | 91.7 Ų | 91.7 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | -15.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | I498 R529 V533 | I498-G531 WeakPolarHBondContact CG2-O 3.21Å; R529-G531 PolarHBondContact O-N 3.33Å; R529-G531 VanDerWaalsContact O-N 3.15Å; G531-V533 WeakPolarHBondContact O-CG2 3.42Å; G531-V533 PolarHBondContact O-N 3.1Å |
| 532 | D | 45.1 | Very low | 45 | Very low | 55 Ų | 55 | 94.2 Ų | 94.2 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -81 | 74.1 | 169.1 | -84.7 | -40.1 | 0 | 0 | 0 | 111.2 | K488 Y528 R529 S534 | K488-D532 IonicContact NZ-OD1 2.85Å; K488-D532 PolarHBondContact NZ-OD1 3.07Å; Y528-D532 HydrophobicContact CD1-CB 3.8Å; Y528-D532 HydrophobicContact CG-CB 4.35Å; R529-D532 PolarHBondContact O-N 3.27Å; D532-S534 VanDerWaalsContact C-N 3.28Å | ||
| 533 | V | 44.8 | Very low | 44.5 | Very low | 18 Ų | 18 | 95.3 Ų | 95.3 | 11% | 0.109 | 43% | 0.431 | C | S | . | . | trans | -81.4 | -5.7 | 176.6 | -116.1 | 0 | 0 | 0 | 0 | 113.3 | V503 R504 P505 W510 G531 L535 | V503-V533 WeakPolarHBondContact O-CG2 3.34Å; R504-V533 HydrophobicContact CB-CG1 4.42Å; R504-V533 HydrophobicContact CG-CG1 4.06Å; P505-V533 HydrophobicContact CG-CB 4.44Å; P505-V533 HydrophobicContact CG-CG2 4.5Å; W510-V533 HydrophobicContact CD2-CG1 4.26Å; W510-V533 HydrophobicContact CE3-CG1 4.2Å; W510-V533 WeakPolarHBondContact CZ2-O 3.06Å; W510-V533 HydrophobicContact CZ3-CG1 4.45Å; G531-V533 WeakPolarHBondContact O-CG2 3.42Å; G531-V533 PolarHBondContact O-N 3.1Å; V533-L535 PolarHBondContact O-N 3.01Å | ||
| 534 | S | 42.5 | Very low | 44.3 | Very low | 53 Ų | 53 | 92.6 Ų | 92.6 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -69.6 | 128 | 165.7 | 54.5 | 0 | 0 | 0 | 0 | 109.7 | D532 | D532-S534 VanDerWaalsContact C-N 3.28Š|
| 535 | L | 48.9 | Very low | 43.8 | Very low | 98 Ų | 98 | 99.2 Ų | 99.2 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -38 | 143.3 | 150.1 | -63.6 | 168.6 | 0 | 0 | 0 | 109.4 | V533 R537 | V533-L535 PolarHBondContact O-N 3.01Å; L535-R537 PolarHBondContact O-N 3.3Å |
| 536 | C | 44.6 | Very low | 43.3 | Very low | 14 Ų | 14 | 94.3 Ų | 94.3 | 10% | 0.095 | 44% | 0.443 | C | S | . | . | trans | -50.8 | 125.2 | -171.1 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | C521 C524 Y528 W538 H539 | C521-C536 HydrophobicContact CB-CB 4.15Å; C521-C536 VanDerWaalsContact SG-CB 3.57Å; C524-C536 PolarHBondContact SG-SG 3.47Å; Y528-C536 HydrophobicContact CE1-CB 4.47Å; Y528-C536 WeakPolarHBondContact OH-CA 3.47Å; Y528-C536 WeakPolarHBondContact OH-CB 2.83Å; Y528-C536 PolarHBondContact OH-N 2.04Å; C536-W538 PolarHBondContact O-N 3.01Å; C536-H539 HydrophobicContact CB-CB 4.06Å; C536-H539 WeakPolarHBondContact CB-O 3.08Å; C536-H539 CarbonylContact O-C 3.55Å; C536-H539 PolarHBondContact O-N 3.13Å | ||
| 537 | R | 39.1 | Very low | 42.8 | Very low | 197 Ų | 197 | 94 Ų | 94 | 74% | 0.743 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -6.4 | -177.7 | 175.7 | 164.3 | 157 | 65 | -3.5 | 115.1 | L535 | L535-R537 PolarHBondContact O-N 3.3Š|
| 538 | W | 34.2 | Very low | 42.5 | Very low | 182 Ų | 182 | 91.1 Ų | 91.1 | 69% | 0.689 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -12.3 | 179 | -55.5 | 100.1 | 0 | 0 | 0 | 113.8 | C536 | C536-W538 PolarHBondContact O-N 3.01Š|
| 539 | H | 39.9 | Very low | 42.1 | Very low | 55 Ų | 55 | 99.8 Ų | 99.8 | 26% | 0.255 | 48% | 0.484 | S | S | . | . | trans | -148 | 115.5 | -169.6 | -53.2 | 109.1 | 0 | 0 | 0 | 111.9 | Q523 C536 | Q523-H539 HydrophobicContact CB-CB 4.11Å; Q523-H539 VanDerWaalsContact OE1-CB 3.31Å; Q523-H539 PolarHBondContact OE1-CD2 2.75Å; C536-H539 HydrophobicContact CB-CB 4.06Å; C536-H539 WeakPolarHBondContact CB-O 3.08Å; C536-H539 CarbonylContact O-C 3.55Å; C536-H539 PolarHBondContact O-N 3.13Å | ||
| 540 | H | 39.1 | Very low | 41.6 | Very low | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | trans | -57.1 | 142.3 | 157.4 | 39.5 | -105.2 | 0 | 0 | 0 | 109.3 | P542 | H540-P542 WeakPolarHBondContact O-CD 3.39Å; H540-P542 VanDerWaalsContact O-N 3.15Å | ||
| 541 | K | 44.6 | Very low | 41.4 | Very low | 58 Ų | 58 | 95 Ų | 95 | 25% | 0.252 | 49% | 0.486 | S | S | . | . | trans | -63.5 | 113.4 | 170.3 | -87.7 | -171.4 | 171.5 | -173.2 | 0 | 107.3 | Y516 D519 W554 | Y516-K541 PolarHBondContact OH-NZ 2.94Å; D519-K541 WeakPolarHBondContact OD2-CE 3.19Å; D519-K541 IonicContact OD2-NZ 2.73Å; D519-K541 PolarHBondContact OD2-NZ 3.16Å; K541-W554 VanDerWaalsContact NZ-CE2 3.26Å; K541-W554 VanDerWaalsContact NZ-CZ2 3.26Å | ||
| 542 | P | 35 | Very low | 41.4 | Very low | 56 Ų | 56 | 97.2 Ų | 97.2 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | trans | -71.9 | 139.6 | 179.7 | -14 | 30.6 | 0 | 0 | 0 | 109.5 | Q523 H540 C544 | Q523-P542 HydrophobicContact CG-CG 4.23Å; H540-P542 WeakPolarHBondContact O-CD 3.39Å; H540-P542 VanDerWaalsContact O-N 3.15Å; P542-C544 PolarHBondContact O-N 3.47Å; P542-C544 VanDerWaalsContact O-N 3.07Å | ||
| 543 | Y | 38.8 | Very low | 41.1 | Very low | 141 Ų | 141 | 97.7 Ų | 97.7 | 55% | 0.553 | 51% | 0.507 | S | S | * | . | trans | -60.8 | 110.8 | 171.9 | -128.7 | -81.7 | 0 | 0 | 0 | 108.8 | Q545 C556 H572 | Y543-Q545 PolarHBondContact O-N 3.21Å; Y543-C556 HydrophobicContact CE2-CB 3.77Å; Y543-C556 WeakPolarHBondContact CE2-SG 3.21Å; Y543-C556 WeakPolarHBondContact OH-CB 3.3Å; Y543-H572 AromaticContact CE2-NE2 4Å | ||
| 544 | C | 38.1 | Very low | 41.1 | Very low | 44 Ų | 44 | 99 Ų | 99 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | trans | -85.5 | 104.4 | 173.6 | -67.3 | 0 | 0 | 0 | 0 | 108.7 | P542 A546 Y553 | P542-C544 PolarHBondContact O-N 3.47Å; P542-C544 VanDerWaalsContact O-N 3.07Å; C544-A546 PolarHBondContact O-N 2.71Å; C544-Y553 HydrophobicContact CB-CD1 3.57Å; C544-Y553 HydrophobicContact CB-CE1 4.06Å | ||
| 545 | Q | 38 | Very low | 40.9 | Very low | 177 Ų | 177 | 100.8 Ų | 100.8 | 83% | 0.827 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 134.8 | 168.6 | -169.7 | 172 | 6.6 | 0 | 0 | 109.6 | Y543 L547 | Y543-Q545 PolarHBondContact O-N 3.21Å; Q545-L547 PolarHBondContact O-N 3.24Å |
| 546 | A | 41.9 | Very low | 40.6 | Very low | 73 Ų | 73 | 97.2 Ų | 97.2 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 126.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | C544 Y553 | C544-A546 PolarHBondContact O-N 2.71Å; A546-Y553 HydrophobicContact CB-CD2 3.74Å; A546-Y553 HydrophobicContact CB-CE2 3.85Å; A546-Y553 HydrophobicContact CB-CG 4.39Å |
| 547 | L | 43.6 | Very low | 40.4 | Very low | 123 Ų | 123 | 97.8 Ų | 97.8 | 64% | 0.644 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -88 | 148.6 | 167.3 | -64.5 | 170.5 | 0 | 0 | 0 | 108.9 | Q545 Y549 Y553 | Q545-L547 PolarHBondContact O-N 3.24Å; L547-Y549 PolarHBondContact O-N 3.41Å; L547-Y549 VanDerWaalsContact O-N 3.11Å; L547-Y553 WeakPolarHBondContact CB-OH 3.49Å; L547-Y553 PolarHBondContact N-OH 2.86Å |
| 548 | P | 47.4 | Very low | 40.5 | Very low | 114 Ų | 114 | 94.6 Ų | 94.6 | 74% | 0.74 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -66.1 | -16.5 | -171.9 | 24.3 | -34.2 | 0 | 0 | 0 | 114.7 | ||
| 549 | Y | 44.5 | Very low | 41 | Very low | 224 Ų | 224 | 88.8 Ų | 88.8 | 88% | 0.878 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -141.4 | 88.1 | 179 | -57.4 | -78.5 | 0 | 0 | 0 | 110.1 | L547 | L547-Y549 PolarHBondContact O-N 3.41Å; L547-Y549 VanDerWaalsContact O-N 3.11Å |
| 550 | G | 37.8 | Very low | 41.4 | Very low | 44 Ų | 44 | 90.5 Ų | 90.5 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -174 | 163.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 551 | P | 38.7 | Very low | 41.8 | Very low | 117 Ų | 117 | 90.1 Ų | 90.1 | 76% | 0.76 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -68.4 | 149.1 | -175.9 | 28.1 | -35.1 | 0 | 0 | 0 | 113 | ||
| 552 | G | 42.5 | Very low | 42.1 | Very low | 56 Ų | 56 | 96.2 Ų | 96.2 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | trans | -52.8 | 154.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 553 | Y | 40 | Very low | 42.8 | Very low | 65 Ų | 65 | 99.8 Ų | 99.8 | 26% | 0.255 | 55% | 0.549 | S | S | . | . | trans | -117 | 150 | -166.7 | -60.1 | -78.8 | 0 | 0 | 0 | 112.7 | C544 A546 L547 M555 | C544-Y553 HydrophobicContact CB-CD1 3.57Å; C544-Y553 HydrophobicContact CB-CE1 4.06Å; A546-Y553 HydrophobicContact CB-CD2 3.74Å; A546-Y553 HydrophobicContact CB-CE2 3.85Å; A546-Y553 HydrophobicContact CB-CG 4.39Å; L547-Y553 WeakPolarHBondContact CB-OH 3.49Å; L547-Y553 PolarHBondContact N-OH 2.86Å; Y553-M555 PolarHBondContact O-N 2.74Å | ||
| 554 | W | 43.5 | Very low | 43.1 | Very low | 46 Ų | 46 | 94.6 Ų | 94.6 | 17% | 0.174 | 54% | 0.536 | C | S | . | . | trans | -72.2 | 107 | 169.9 | -67.4 | 109.1 | 0 | 0 | 0 | 109.7 | Y516 D519 K541 N574 W576 | Y516-W554 AromaticContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CZ3 4.21Å; Y516-W554 AromaticContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CZ2 4.26Å; Y516-W554 AromaticContact CE2-CZ3 3.46Å; Y516-W554 HydrophobicContact CE2-CZ3 3.46Å; Y516-W554 VanDerWaalsContact CE2-CZ3 3.46Å; Y516-W554 AromaticContact CZ-CH2 3.8Å; D519-W554 HydrophobicContact CB-CZ2 4.43Å; D519-W554 VanDerWaalsContact OD2-CZ2 3.3Å; D519-W554 WeakPolarHBondContact OD2-CZ2 3.48Å; K541-W554 VanDerWaalsContact NZ-CE2 3.26Å; K541-W554 VanDerWaalsContact NZ-CZ2 3.26Å; W554-N574 HydrophobicContact CE3-CB 4.48Å; W554-N574 HydrophobicContact CZ3-CB 4.12Å; W554-W576 AromaticContact CH2-CD1 3.45Å; W554-W576 VanDerWaalsContact CH2-CD1 3.45Å; W554-W576 AromaticContact CH2-NE1 3.95Å; W554-W576 AromaticContact CZ3-CD1 3.61Å | ||
| 555 | M | 38.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 97.7 Ų | 97.7 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -98.3 | 109.9 | 169.7 | -61.8 | -163.3 | -58.5 | 0 | 0 | 109 | Y553 | Y553-M555 PolarHBondContact O-N 2.74Š| ||
| 556 | C | 42.6 | Very low | 43.4 | Very low | 22 Ų | 22 | 90.2 Ų | 90.2 | 15% | 0.149 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -72.3 | -38.8 | -176.4 | -62.5 | 0 | 0 | 0 | 0 | 112.9 | Y543 H572 | Y543-C556 HydrophobicContact CE2-CB 3.77Å; Y543-C556 WeakPolarHBondContact CE2-SG 3.21Å; Y543-C556 WeakPolarHBondContact OH-CB 3.3Å; C556-H572 HydrophobicContact CB-CB 3.5Å; C556-H572 VanDerWaalsContact SG-CB 3.55Å; C556-H572 PolarHBondContact SG-CD2 3.27Å |
| 557 | C | 41.3 | Very low | 43.5 | Very low | 26 Ų | 26 | 88.1 Ų | 88.1 | 18% | 0.176 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -139.7 | 141.2 | 173.7 | -53.3 | 0 | 0 | 0 | 0 | 106.6 | Q561 C567 | C557-Q561 WeakPolarHBondContact CB-O 3.32Å; C557-C567 HydrophobicContact CB-CB 4.37Å; C557-C567 WeakPolarHBondContact CB-SG 3.1Å; C557-C567 WeakPolarHBondContact SG-CB 3.38Å; C557-C567 CovalentContact SG-SG 2.04Å; C557-C567 PolarHBondContact SG-SG 2.78Å |
| 558 | H | 41.3 | Very low | 43.5 | Very low | 130 Ų | 130 | 87.8 Ų | 87.8 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | trans | -63.1 | 140.9 | 169.7 | -158.5 | -113.1 | 0 | 0 | 0 | 108 | A560 Q561 | H558-A560 PolarHBondContact O-N 3.06Å; H558-Q561 PolarHBondContact O-N 3.35Å | ||
| 559 | G | 44.5 | Very low | 43.3 | Very low | 60 Ų | 60 | 87.6 Ų | 87.6 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -15.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 560 | A | 48.3 | Very low | 43.2 | Very low | 91 Ų | 91 | 79.1 Ų | 79.1 | 75% | 0.752 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H558 | H558-A560 PolarHBondContact O-N 3.06Š|
| 561 | Q | 46.9 | Very low | 43.2 | Very low | 135 Ų | 135 | 81.6 Ų | 81.6 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | trans | -129.8 | 59.7 | 178.8 | -70.6 | -174.7 | -15.8 | 0 | 0 | 110.7 | C557 H558 | C557-Q561 WeakPolarHBondContact CB-O 3.32Å; H558-Q561 PolarHBondContact O-N 3.35Å | ||
| 562 | R | 50.8 | Low | 43.5 | Very low | 185 Ų | 185 | 78.3 Ų | 78.3 | 70% | 0.698 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.7 | 175 | -65.7 | -173.8 | 179.7 | -152.6 | -0.4 | 112.1 | A564 C567 | R562-A564 PolarHBondContact O-N 2.81Å; R562-C567 WeakPolarHBondContact O-CB 3.32Å |
| 563 | D | 49.8 | Very low | 43.4 | Very low | 131 Ų | 131 | 79.4 Ų | 79.4 | 70% | 0.701 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.6 | -173.8 | -41 | -77.2 | 0 | 0 | 0 | 113.1 | N568 | D563-N568 PolarHBondContact O-ND2 2.98Š|
| 564 | A | 45.8 | Very low | 43.5 | Very low | 33 Ų | 33 | 77.3 Ų | 77.3 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -55.7 | 133.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | R562 G566 C567 N568 | R562-A564 PolarHBondContact O-N 2.81Å; A564-G566 VanDerWaalsContact C-N 3.29Å; A564-G566 PolarHBondContact O-N 3.2Å; A564-G566 VanDerWaalsContact O-N 3.14Å; A564-C567 WeakPolarHBondContact O-CA 3.49Å; A564-C567 WeakPolarHBondContact O-CB 3.41Å; A564-C567 PolarHBondContact O-N 3Å; A564-N568 PolarHBondContact O-N 3.32Å |
| 565 | P | 40.1 | Very low | 43.3 | Very low | 109 Ų | 109 | 84.2 Ų | 84.2 | 71% | 0.708 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -57.5 | -39.7 | -166.4 | 17.8 | -30.8 | 0 | 0 | 0 | 113.2 | C567 N568 V569 | P565-C567 VanDerWaalsContact C-N 3.28Å; P565-C567 PolarHBondContact O-N 3.07Å; P565-N568 PolarHBondContact O-N 3.03Å; P565-N568 VanDerWaalsContact O-N 3.13Å; P565-V569 VanDerWaalsContact O-CG2 3.24Å; P565-V569 WeakPolarHBondContact O-CG2 3.46Å; P565-V569 PolarHBondContact O-N 2.92Å |
| 566 | G | 41.7 | Very low | 43.1 | Very low | 20 Ų | 20 | 85.3 Ų | 85.3 | 21% | 0.206 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.7 | -31.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A564 G570 L571 | A564-G566 VanDerWaalsContact C-N 3.29Å; A564-G566 PolarHBondContact O-N 3.2Å; A564-G566 VanDerWaalsContact O-N 3.14Å; G566-G570 CarbonylContact O-C 3.51Å; G566-G570 PolarHBondContact O-N 2.99Å; G566-L571 CarbonylContact C-O 3.55Å; G566-L571 WeakPolarHBondContact CA-O 3.16Å; G566-L571 CarbonylContact O-C 3.57Å; G566-L571 VanDerWaalsContact O-C 3.28Å; G566-L571 PolarHBondContact O-N 3.49Å; G566-L571 VanDerWaalsContact O-O 3.09Å |
| 567 | C | 44.7 | Very low | 42.7 | Very low | 28 Ų | 28 | 87.4 Ų | 87.4 | 19% | 0.189 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 173.8 | -107.6 | 0 | 0 | 0 | 0 | 112.5 | C557 R562 A564 P565 G570 | C557-C567 HydrophobicContact CB-CB 4.37Å; C557-C567 WeakPolarHBondContact CB-SG 3.1Å; C557-C567 WeakPolarHBondContact SG-CB 3.38Å; C557-C567 CovalentContact SG-SG 2.04Å; C557-C567 PolarHBondContact SG-SG 2.78Å; R562-C567 WeakPolarHBondContact O-CB 3.32Å; A564-C567 WeakPolarHBondContact O-CA 3.49Å; A564-C567 WeakPolarHBondContact O-CB 3.41Å; A564-C567 PolarHBondContact O-N 3Å; P565-C567 VanDerWaalsContact C-N 3.28Å; P565-C567 PolarHBondContact O-N 3.07Å; C567-G570 PolarHBondContact O-N 3.38Å |
| 568 | N | 42 | Very low | 42.4 | Very low | 116 Ų | 116 | 90 Ų | 90 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.2 | -27.7 | -176.6 | -72.9 | -36.1 | 0 | 0 | 0 | 114.2 | D563 A564 P565 | D563-N568 PolarHBondContact O-ND2 2.98Å; A564-N568 PolarHBondContact O-N 3.32Å; P565-N568 PolarHBondContact O-N 3.03Å; P565-N568 VanDerWaalsContact O-N 3.13Å |
| 569 | V | 43.2 | Very low | 42.1 | Very low | 110 Ų | 110 | 87 Ų | 87 | 67% | 0.667 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.6 | 171.5 | -85.7 | 0 | 0 | 0 | 0 | 114.2 | P565 L571 | P565-V569 VanDerWaalsContact O-CG2 3.24Å; P565-V569 WeakPolarHBondContact O-CG2 3.46Å; P565-V569 PolarHBondContact O-N 2.92Å; V569-L571 HydrophobicContact CG2-CB 4.07Å; V569-L571 HydrophobicContact CG2-CD1 4.29Å; V569-L571 PolarHBondContact O-N 3.07Å |
| 570 | G | 42.7 | Very low | 41.6 | Very low | 47 Ų | 47 | 91.2 Ų | 91.2 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 10.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | G566 C567 H572 | G566-G570 CarbonylContact O-C 3.51Å; G566-G570 PolarHBondContact O-N 2.99Å; C567-G570 PolarHBondContact O-N 3.38Å; G570-H572 PolarHBondContact O-N 3.01Å |
| 571 | L | 39.4 | Very low | 41.1 | Very low | 95 Ų | 95 | 94.6 Ų | 94.6 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | trans | -90.2 | 80.2 | 175.3 | -91.7 | 158.8 | 0 | 0 | 0 | 108.9 | G566 V569 | G566-L571 CarbonylContact C-O 3.55Å; G566-L571 WeakPolarHBondContact CA-O 3.16Å; G566-L571 CarbonylContact O-C 3.57Å; G566-L571 VanDerWaalsContact O-C 3.28Å; G566-L571 PolarHBondContact O-N 3.49Å; G566-L571 VanDerWaalsContact O-O 3.09Å; V569-L571 HydrophobicContact CG2-CB 4.07Å; V569-L571 HydrophobicContact CG2-CD1 4.29Å; V569-L571 PolarHBondContact O-N 3.07Å | ||
| 572 | H | 43.6 | Very low | 40.9 | Very low | 49 Ų | 49 | 92.6 Ų | 92.6 | 23% | 0.227 | 50% | 0.499 | C | S | . | . | trans | -86.8 | 128.9 | -169 | -65.2 | -41.9 | 0 | 0 | 0 | 113.5 | Y543 C556 G570 N574 | Y543-H572 AromaticContact CE2-NE2 4Å; C556-H572 HydrophobicContact CB-CB 3.5Å; C556-H572 VanDerWaalsContact SG-CB 3.55Å; C556-H572 PolarHBondContact SG-CD2 3.27Å; G570-H572 PolarHBondContact O-N 3.01Å; H572-N574 PolarHBondContact O-N 3.04Å; H572-N574 PolarHBondContact O-ND2 3.11Å | ||
| 573 | D | 40 | Very low | 40.6 | Very low | 79 Ų | 79 | 89.9 Ų | 89.9 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | trans | -59.6 | 118.1 | 169.8 | -79.2 | 1.2 | 0 | 0 | 0 | 110.1 | L509 R575 | L509-D573 WeakPolarHBondContact CB-OD1 3.42Å; L509-D573 WeakPolarHBondContact CD1-OD1 3.39Å; D573-R575 PolarHBondContact O-N 3.18Å | ||
| 574 | N | 43.3 | Very low | 39.9 | Very low | 21 Ų | 21 | 91.3 Ų | 91.3 | 11% | 0.112 | 51% | 0.505 | C | S | . | . | trans | -87 | 50.7 | -177.1 | -59.5 | -96.2 | 0 | 0 | 0 | 111.1 | L509 Y516 W554 H572 W576 | L509-N574 PolarHBondContact O-N 3.13Å; Y516-N574 HydrophobicContact CE2-CB 3.49Å; Y516-N574 VanDerWaalsContact CE2-CB 3.49Å; Y516-N574 WeakPolarHBondContact OH-CB 3.25Å; Y516-N574 PolarHBondContact OH-OD1 3.15Å; W554-N574 HydrophobicContact CE3-CB 4.48Å; W554-N574 HydrophobicContact CZ3-CB 4.12Å; H572-N574 PolarHBondContact O-N 3.04Å; H572-N574 PolarHBondContact O-ND2 3.11Å; N574-W576 PolarHBondContact O-N 3.14Å | ||
| 575 | R | 38.2 | Very low | 39.4 | Very low | 191 Ų | 191 | 94.2 Ų | 94.2 | 72% | 0.721 | 52% | 0.519 | S | S | * | . | trans | -75.4 | 109.1 | -174 | -156.3 | 170 | -171.6 | 170.4 | 2.1 | 110.5 | V511 D573 V577 | V511-R575 HydrophobicContact CG2-CB 4.44Å; V511-R575 HydrophobicContact CG2-CG 4.34Å; D573-R575 PolarHBondContact O-N 3.18Å; R575-V577 PolarHBondContact O-N 3.38Å | ||
| 576 | W | 36.1 | Very low | 39 | Very low | 113 Ų | 113 | 94 Ų | 94 | 43% | 0.428 | 52% | 0.517 | S | S | . | . | trans | -72.3 | 91.3 | -176.1 | -146.7 | 85.8 | 0 | 0 | 0 | 111.1 | R515 W554 N574 P578 | R515-W576 VanDerWaalsContact NH1-CZ3 3.31Å; W554-W576 AromaticContact CH2-CD1 3.45Å; W554-W576 VanDerWaalsContact CH2-CD1 3.45Å; W554-W576 AromaticContact CH2-NE1 3.95Å; W554-W576 AromaticContact CZ3-CD1 3.61Å; N574-W576 PolarHBondContact O-N 3.14Å; W576-P578 WeakPolarHBondContact O-CD 3.46Å | ||
| 577 | V | 34.1 | Very low | 38.7 | Very low | 66 Ų | 66 | 100.2 Ų | 100.2 | 40% | 0.4 | 54% | 0.544 | S | S | . | . | trans | -80.9 | 121.7 | 172.8 | -169 | 0 | 0 | 0 | 0 | 108.4 | R575 F580 | R575-V577 PolarHBondContact O-N 3.38Å; V577-F580 HydrophobicContact CG1-CD2 4.06Å; V577-F580 HydrophobicContact CG1-CE2 3.64Å | ||
| 578 | P | 33.3 | Very low | 38.3 | Very low | 81 Ų | 81 | 109.1 Ų | 109.1 | 53% | 0.526 | 58% | 0.575 | S | S | . | * | trans | -56.9 | 147.3 | 170.4 | -22.9 | 34.3 | 0 | 0 | 0 | 110.8 | W576 F580 | W576-P578 WeakPolarHBondContact O-CD 3.46Å; P578-F580 PolarHBondContact O-N 2.96Å | ||
| 579 | A | 35.5 | Very low | 38 | Very low | 66 Ų | 66 | 113.8 Ų | 113.8 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | trans | -62.2 | 110.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H581 | A579-H581 VanDerWaalsContact C-N 3.31Å; A579-H581 PolarHBondContact O-N 2.92Å; A579-H581 PolarHBondContact O-ND1 2.85Å | ||
| 580 | F | 34.8 | Very low | 37.6 | Very low | 149 Ų | 149 | 118 Ų | 118 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | trans | -60.6 | 88.5 | 175.9 | -83.2 | -80.6 | 0 | 0 | 0 | 111 | V577 P578 I583 | V577-F580 HydrophobicContact CG1-CD2 4.06Å; V577-F580 HydrophobicContact CG1-CE2 3.64Å; P578-F580 PolarHBondContact O-N 2.96Å; F580-I583 HydrophobicContact CD1-CD1 4.24Å; F580-I583 HydrophobicContact CD1-CG1 4.37Å; F580-I583 HydrophobicContact CE1-CD1 4.48Å | ||
| 581 | H | 37.6 | Very low | 37.1 | Very low | 163 Ų | 163 | 121.6 Ų | 121.6 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | trans | -68.9 | 138.5 | 151.9 | -62.3 | 69.4 | 0 | 0 | 0 | 106.5 | A579 | A579-H581 VanDerWaalsContact C-N 3.31Å; A579-H581 PolarHBondContact O-N 2.92Å; A579-H581 PolarHBondContact O-ND1 2.85Å | ||
| 582 | S | 42.5 | Very low | 37.1 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 57.6 | 82.2 | -170.8 | 58.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 583 | I | 44.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -120.9 | -42 | 131.4 | -67.8 | -175.4 | 0 | 0 | 0 | 109.4 | F580 | F580-I583 HydrophobicContact CD1-CD1 4.24Å; F580-I583 HydrophobicContact CD1-CG1 4.37Å; F580-I583 HydrophobicContact CE1-CD1 4.48Å |
| 584 | N | 35.6 | Very low | 36.5 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -111.4 | 57.1 | 174.9 | -71.8 | -40.8 | 0 | 0 | 0 | 112.8 | ||
| 585 | V | 33.8 | Very low | 36.1 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 58% | 0.576 | 68% | 0.678 | S | S | * | * | trans | -104.9 | 116.7 | 155 | 177.6 | 0 | 0 | 0 | 0 | 105.8 | I587 | V585-I587 PolarHBondContact O-N 2.82Š| ||
| 586 | P | 32.7 | Very low | 36.2 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | -62.5 | 114.9 | 169 | 26.8 | -31.6 | 0 | 0 | 0 | 107 | Y588 | P586-Y588 PolarHBondContact O-N 2.89Š| ||
| 587 | I | 35.7 | Very low | 36.4 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | trans | -61.3 | 106 | 171.8 | -60 | 173.7 | 0 | 0 | 0 | 105.7 | V585 R589 | V585-I587 PolarHBondContact O-N 2.82Å; I587-R589 VanDerWaalsContact C-N 3.28Å; I587-R589 PolarHBondContact O-N 3.28Å | ||
| 588 | Y | 36.6 | Very low | 36.6 | Very low | 214 Ų | 214 | 149 Ų | 149 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -58.8 | 99.8 | 166.1 | -96.9 | -89.5 | 0 | 0 | 0 | 106.7 | P586 R590 | P586-Y588 PolarHBondContact O-N 2.89Å; Y588-R590 PolarHBondContact O-N 3.32Å | ||
| 589 | R | 35.9 | Very low | 36.7 | Very low | 215 Ų | 215 | 152.5 Ų | 152.5 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -55.1 | 111.7 | 164.9 | -80.8 | -170.6 | 172.3 | -155.7 | -0 | 105.8 | I587 N591 | I587-R589 VanDerWaalsContact C-N 3.28Å; I587-R589 PolarHBondContact O-N 3.28Å; R589-N591 PolarHBondContact O-N 3.09Å | ||
| 590 | R | 34.2 | Very low | 36.8 | Very low | 197 Ų | 197 | 157 Ų | 157 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -66 | 91.7 | 163.4 | 177.1 | 173.9 | -76.9 | 155.6 | -4.1 | 105.8 | Y588 Y592 | Y588-R590 PolarHBondContact O-N 3.32Å; R590-Y592 VanDerWaalsContact C-N 3.34Å; R590-Y592 HydrophobicContact CB-CE2 4.48Å; R590-Y592 HydrophobicContact CG-CD2 4.07Å; R590-Y592 HydrophobicContact CG-CE2 3.72Å; R590-Y592 PolarHBondContact O-N 3.02Å | ||
| 591 | N | 32.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 157.4 Ų | 157.4 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | trans | -61.3 | 100.9 | 171.5 | -85.2 | 2.5 | 0 | 0 | 0 | 107.5 | R589 H593 | R589-N591 PolarHBondContact O-N 3.09Å; N591-H593 PolarHBondContact O-N 3.26Å; N591-H593 VanDerWaalsContact O-N 3.09Å | ||
| 592 | Y | 37.4 | Very low | 36.9 | Very low | 191 Ų | 191 | 157.1 Ų | 157.1 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -73.2 | 88.5 | 154.7 | -75.6 | -87.4 | 0 | 0 | 0 | 106.4 | R590 Y594 | R590-Y592 VanDerWaalsContact C-N 3.34Å; R590-Y592 HydrophobicContact CB-CE2 4.48Å; R590-Y592 HydrophobicContact CG-CD2 4.07Å; R590-Y592 HydrophobicContact CG-CE2 3.72Å; R590-Y592 PolarHBondContact O-N 3.02Å; Y592-Y594 PolarHBondContact O-N 3.46Å; Y592-Y594 VanDerWaalsContact O-N 3.14Å | ||
| 593 | H | 35.1 | Very low | 36.5 | Very low | 145 Ų | 145 | 161.2 Ų | 161.2 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -64.6 | 108.2 | 157.8 | -116.7 | -110.3 | 0 | 0 | 0 | 106.1 | N591 E595 | N591-H593 PolarHBondContact O-N 3.26Å; N591-H593 VanDerWaalsContact O-N 3.09Å; H593-E595 VanDerWaalsContact C-N 3.35Å; H593-E595 IonicContact CE1-OE1 2.67Å; H593-E595 IonicContact ND1-OE1 2.98Å; H593-E595 PolarHBondContact ND1-OE1 3.11Å; H593-E595 PolarHBondContact O-N 2.85Å | ||
| 594 | Y | 37.7 | Very low | 36 | Very low | 208 Ų | 208 | 163.3 Ų | 163.3 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 96.6 | 156 | -125.5 | -92.2 | 0 | 0 | 0 | 105.1 | Y592 S596 | Y592-Y594 PolarHBondContact O-N 3.46Å; Y592-Y594 VanDerWaalsContact O-N 3.14Å; Y594-S596 PolarHBondContact O-N 3.32Å | ||
| 595 | E | 33.9 | Very low | 36 | Very low | 159 Ų | 159 | 163.6 Ų | 163.6 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -67.5 | 115.2 | 162.2 | -72.1 | -75.8 | 111.8 | 0 | 0 | 106.6 | H593 | H593-E595 VanDerWaalsContact C-N 3.35Å; H593-E595 IonicContact CE1-OE1 2.67Å; H593-E595 IonicContact ND1-OE1 2.98Å; H593-E595 PolarHBondContact ND1-OE1 3.11Å; H593-E595 PolarHBondContact O-N 2.85Å | ||
| 596 | S | 40.9 | Very low | 36.2 | Very low | 81 Ų | 81 | 168.8 Ų | 168.8 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | trans | -135.3 | 112.2 | 162.7 | -64.1 | 0 | 0 | 0 | 0 | 105.5 | Y594 | Y594-S596 PolarHBondContact O-N 3.32Š| ||
| 597 | D | 39.8 | Very low | 36.5 | Very low | 154 Ų | 154 | 174.3 Ų | 174.3 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | -178.7 | 144.5 | 125.1 | -86.6 | -16.6 | 0 | 0 | 0 | 110.5 | |||||
| 598 | L | 37.9 | Very low | 36.6 | Very low | 253 Ų | 253 | 176.4 Ų | 176.4 | 100% | 1.325 | 80% | 0.795 | S | S | * | * | trans | 67.1 | 0 | 168.5 | -59.8 | 165.5 | 0 | 0 | 0 | 117.5 |
Retrieved 598 of 598 residues in 180 ms
(Link to these results)