| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 36.9 | Very low | 227 Ų | 227 | 156.7 Ų | 156.7 | 100% | 1.118 | 79% | 0.793 | S | S | * | * | 0 | 111.9 | 0 | -57.6 | 172.8 | -176.3 | 0 | 0 | 107.4 | |||||
| 2 | E | 32.4 | Very low | 36.9 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -167.7 | 96.4 | -26.1 | -123.7 | 154.9 | 135 | 0 | 0 | 103.2 | ||||
| 3 | E | 33.6 | Very low | 36.8 | Very low | 170 Ų | 170 | 154 Ų | 154 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | 78.2 | 159.2 | 85.2 | -164.2 | 171.3 | -134.7 | 0 | 0 | 112.5 | |||||
| 4 | V | 41.2 | Very low | 36.7 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 80.1 | 125 | 169.7 | -170.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 5 | E | 41.9 | Very low | 36.6 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | cis | -176.7 | 165.1 | -28.3 | -126.2 | -168.3 | 129.6 | 0 | 0 | 111.4 | ||||
| 6 | K | 40.1 | Very low | 36.4 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 61.2 | 156.4 | 151.1 | -71.5 | 160.4 | 173 | 132.8 | 0 | 118.1 | ||||
| 7 | S | 39.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | -167.8 | 169.2 | -26 | 59.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 8 | R | 38.3 | Very low | 36.1 | Very low | 235 Ų | 235 | 151.3 Ų | 151.3 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | cis | -168.7 | 167.2 | 34.1 | -151.6 | 168.9 | -173 | 163.7 | 0.7 | 110 | ||||
| 9 | T | 34.2 | Very low | 35.8 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -117.4 | 153.9 | -173 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 10 | T | 36.6 | Very low | 35.7 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -178.9 | 116 | 145.7 | 34.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | N | 32.8 | Very low | 35.6 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | 75.6 | 113.1 | 77.7 | -80.4 | -7.9 | 0 | 0 | 0 | 115.9 | |||||
| 12 | A | 36.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | 165.8 | 114.7 | 100.1 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 13 | Q | 36 | Very low | 35.4 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 69.9 | 138 | 132.9 | -100 | 177.5 | -19.7 | 0 | 0 | 126.4 | ||||
| 14 | K | 35.3 | Very low | 35.2 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 85.5 | 108.7 | 147.6 | -119.9 | 161.7 | 180 | -175.6 | 0 | 117.6 | ||||
| 15 | V | 34.6 | Very low | 34.7 | Very low | 119 Ų | 119 | 145 Ų | 145 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | 73 | 128.3 | 60.8 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 16 | D | 34.8 | Very low | 34.2 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | cis | -143.9 | -169.9 | 38.6 | -138.8 | -36.5 | 0 | 0 | 0 | 117.2 | ||||
| 17 | T | 32.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -99.4 | 160.8 | -161.7 | -42.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | I | 34.8 | Very low | 33.5 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | 140.1 | 138 | 144.4 | -72.1 | 157.8 | 0 | 0 | 0 | 110.9 | ||||
| 19 | G | 29.5 | Very low | 33.1 | Very low | 56 Ų | 56 | 141.3 Ų | 141.3 | 58% | 0.577 | 79% | 0.787 | S | S | * | * | trans | -143.9 | -166.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 20 | I | 33.9 | Very low | 33.2 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 172.4 | 152.6 | 155.6 | -93.9 | 151.6 | 0 | 0 | 0 | 111.1 | ||||
| 21 | S | 33.5 | Very low | 33 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 55.6 | 109.6 | 162.7 | 64.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 22 | H | 31.6 | Very low | 33.1 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | 33.8 | 121.7 | 104.4 | -111.4 | -105.3 | 0 | 0 | 0 | 118.5 | |||||
| 23 | E | 32.4 | Very low | 33.1 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | -172.5 | 170.7 | 99.7 | -107.1 | 176.3 | -168 | 0 | 0 | 115.1 | |||||
| 24 | T | 29.4 | Very low | 33 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -91.1 | 165.7 | -149.9 | -15.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 25 | Y | 30.6 | Very low | 32.9 | Very low | 220 Ų | 220 | 136.8 Ų | 136.8 | 86% | 0.863 | 76% | 0.758 | S | S | * | * | trans | 93.5 | 142.1 | 141.6 | -100 | -68.1 | 0 | 0 | 0 | 123.8 | ||||
| 26 | A | 31.4 | Very low | 32.8 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | 89.6 | 101.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 27 | D | 29.5 | Very low | 32.7 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | 28.8 | 127.5 | 132.5 | -53.8 | -16.6 | 0 | 0 | 0 | 122.6 | ||||
| 28 | A | 34.5 | Very low | 32.9 | Very low | 107 Ų | 107 | 140 Ų | 140 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -153.7 | 142.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 29 | H | 31.6 | Very low | 32.6 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -121.4 | 131.4 | -176.9 | -132.7 | -84.1 | 0 | 0 | 0 | 109.2 | ||||
| 30 | E | 34.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 171.1 | 154.5 | 154.3 | -93.7 | -153.5 | 133.1 | 0 | 0 | 108.6 | ||||
| 31 | K | 32.9 | Very low | 32.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 60% | 0.6 | 78% | 0.778 | S | S | * | * | cis | 179.3 | 145 | -20.2 | 174.5 | 173.3 | 179.4 | -175.3 | 0 | 111.5 | D33 | K31-D33 WeakPolarHBondContact CE-OD2 3.25Å; K31-D33 WeakPolarHBondContact CG-OD2 3.24Å | ||
| 32 | C | 35 | Very low | 32.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -177.9 | 121.5 | 151 | -88 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 33 | D | 37.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | 65.9 | 130.8 | 50.5 | -56.2 | -34.9 | 0 | 0 | 0 | 112.7 | K31 | K31-D33 WeakPolarHBondContact CE-OD2 3.25Å; K31-D33 WeakPolarHBondContact CG-OD2 3.24Å | |||
| 34 | S | 33.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | cis | -166.8 | 171.7 | -17 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 35 | D | 32.8 | Very low | 33.2 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | 161.8 | 160.8 | 125.9 | -85.9 | 7.4 | 0 | 0 | 0 | 117 | |||||
| 36 | F | 32.2 | Very low | 33.3 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 70.6 | 92.4 | 164.2 | -92.2 | -78.8 | 0 | 0 | 0 | 121.6 | V38 | F36-V38 HydrophobicContact CD1-CG2 4.3Å; F36-V38 HydrophobicContact CE1-CG2 4.32Å | ||
| 37 | V | 32.5 | Very low | 33.5 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -135.1 | 147.1 | 139.1 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 38 | V | 38.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -106.2 | 137.3 | -174.5 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | F36 | F36-V38 HydrophobicContact CD1-CG2 4.3Å; F36-V38 HydrophobicContact CE1-CG2 4.32Å | ||
| 39 | S | 27 | Very low | 33.7 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 144.9 | 179.2 | -45.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 40 | P | 36.6 | Very low | 34 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 158.6 | 155.7 | 35.2 | -30.8 | 0 | 0 | 0 | 111.6 | ||
| 41 | T | 32.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 127 Ų | 127 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 146.9 | -169.1 | 46.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 42 | G | 31.5 | Very low | 34 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -147 | 133.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 43 | S | 34.2 | Very low | 34 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -124.3 | 125 | -174.1 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 44 | A | 33.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -135.4 | 151.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 45 | T | 35.8 | Very low | 33.8 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -126.1 | 119.6 | -176.7 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | D | 32.2 | Very low | 33.9 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -64 | 153.1 | 169.1 | -66.5 | -63.4 | 0 | 0 | 0 | 112.2 | ||||
| 47 | N | 35.7 | Very low | 33.8 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | 176.5 | 125.6 | 99.7 | -98.2 | -73.9 | 0 | 0 | 0 | 117.5 | |||||
| 48 | T | 33.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 82 | 115 | 125 | -68.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 49 | A | 35.6 | Very low | 33.5 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 77.5 | 158.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 50 | K | 36.2 | Very low | 33.8 | Very low | 205 Ų | 205 | 128.4 Ų | 128.4 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | cis | -160.7 | 121.8 | 18.6 | -158 | 170.3 | -173.5 | 177.4 | 0 | 115.9 | ||||
| 51 | G | 34 | Very low | 33.5 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 84.1 | 132.5 | 136 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 52 | A | 35.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 67 | 147 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 53 | S | 35 | Very low | 33.6 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | cis | -167.2 | 150.6 | -14.6 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | E | 34 | Very low | 33.5 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 63.3 | 102.8 | 150.8 | -70.6 | 164.7 | -163.1 | 0 | 0 | 120.7 | ||||
| 55 | E | 32.2 | Very low | 33.4 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 29.9 | 128.1 | 127.9 | -53.9 | -178.1 | 172 | 0 | 0 | 119.1 | |||||
| 56 | S | 35.1 | Very low | 33.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | -176.3 | 174.4 | 64.8 | 41.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 57 | N | 28.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -79.8 | 161.6 | -172.6 | -46.8 | -80.8 | 0 | 0 | 0 | 112.5 | ||||
| 58 | S | 32.9 | Very low | 32.8 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | 174.9 | 157.9 | 53.2 | 47.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 59 | S | 32.7 | Very low | 32.9 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 85.2 | 155.3 | 140.7 | 78.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 60 | L | 31.9 | Very low | 32.5 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 74.9 | 145.5 | 170.9 | -53.2 | 178.1 | 0 | 0 | 0 | 118.2 | ||||
| 61 | S | 31.8 | Very low | 32.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | 170.3 | 116.2 | -37.9 | 157.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 62 | A | 31.7 | Very low | 32.2 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -175.2 | 162.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 63 | E | 34 | Very low | 32 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 57.1 | 121.9 | 154 | -72.5 | 165.4 | -176.5 | 0 | 0 | 118.7 | ||||
| 64 | E | 32.8 | Very low | 31.9 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | cis | -139.1 | 157.6 | -6.5 | -77.1 | -170.6 | 105.7 | 0 | 0 | 110.6 | ||||
| 65 | Q | 30.6 | Very low | 31.7 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -129.2 | 118.2 | 169.9 | -70.6 | -173.8 | 15.9 | 0 | 0 | 111.3 | ||||
| 66 | L | 31.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -171 | 144.5 | 148.3 | -122.7 | 64 | 0 | 0 | 0 | 105.4 | ||||
| 67 | I | 30.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | cis | -130.8 | 119.5 | 23.1 | -60.5 | 165.3 | 0 | 0 | 0 | 110.2 | V69 | I67-V69 HydrophobicContact CG2-CG2 4.03Š| ||
| 68 | T | 28.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -133.4 | 102.8 | 159.3 | -61.8 | 0 | 0 | 0 | 0 | 107.8 | D70 | T68-D70 PolarHBondContact O-N 3.42Š| ||
| 69 | V | 34.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -89.2 | 86.6 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | I67 | I67-V69 HydrophobicContact CG2-CG2 4.03Š| ||
| 70 | D | 28.6 | Very low | 31.1 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | -73.8 | 131.7 | 158 | -177.9 | 15.1 | 0 | 0 | 0 | 108.4 | T68 K72 | T68-D70 PolarHBondContact O-N 3.42Å; D70-K72 IonicContact OD2-NZ 2.69Å; D70-K72 PolarHBondContact OD2-NZ 2.89Å | ||
| 71 | S | 33 | Very low | 31 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -160 | 100.1 | 156.9 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 72 | K | 29.7 | Very low | 30.9 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -64.5 | 127.9 | 164.8 | -60 | 150.9 | -173.7 | 115.8 | 0 | 109.5 | D70 | D70-K72 IonicContact OD2-NZ 2.69Å; D70-K72 PolarHBondContact OD2-NZ 2.89Å | ||
| 73 | T | 32.4 | Very low | 30.9 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -138.9 | 114.1 | 157.6 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 74 | E | 33.2 | Very low | 30.7 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | 64.5 | 104.8 | 149.6 | -49.9 | -148.6 | 134.4 | 0 | 0 | 119.6 | ||||
| 75 | D | 28.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -47.4 | 173.8 | 139.7 | -101.6 | -57.5 | 0 | 0 | 0 | 113 | ||||
| 76 | V | 28.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 75.7 | 94.5 | 177.3 | -166.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 77 | L | 31.5 | Very low | 30.5 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | -143.1 | 91.8 | 129.8 | -118.1 | 170.3 | 0 | 0 | 0 | 111 | |||||
| 78 | S | 29.8 | Very low | 30.7 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 145.5 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | H80 | S78-H80 PolarHBondContact O-N 3.48Š| ||
| 79 | I | 27.7 | Very low | 30.9 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 8.3 | 105.6 | 147.4 | -50 | 170.7 | 0 | 0 | 0 | 114.1 | ||||
| 80 | H | 31.9 | Very low | 30.9 | Very low | 186 Ų | 186 | 140 Ų | 140 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -119.6 | 104.8 | 160 | -127.4 | -76 | 0 | 0 | 0 | 111.9 | S78 | S78-H80 PolarHBondContact O-N 3.48Š| ||
| 81 | T | 31 | Very low | 31.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 147.8 | 178.3 | -54 | 0 | 0 | 0 | 0 | 111.4 | A83 | T81-A83 PolarHBondContact O-N 3.18Š| ||
| 82 | V | 28 | Very low | 31.3 | Very low | 125 Ų | 125 | 147 Ų | 147 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -62.4 | 121.6 | 172.5 | -178 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 83 | A | 32.4 | Very low | 31.5 | Very low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -141.3 | 110.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T81 | T81-A83 PolarHBondContact O-N 3.18Š| ||
| 84 | Y | 29.5 | Very low | 31.7 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 139.3 | 155.2 | -87.8 | -103.2 | 0 | 0 | 0 | 107.8 | ||||
| 85 | D | 31.9 | Very low | 31.9 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -147.6 | 161.9 | 144.7 | -135.1 | -31 | 0 | 0 | 0 | 112.5 | ||||
| 86 | L | 29.7 | Very low | 32.3 | Very low | 140 Ų | 140 | 139 Ų | 139 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -119.2 | 162.7 | -168.8 | -79.5 | 164.1 | 0 | 0 | 0 | 112.5 | ||||
| 87 | T | 29.9 | Very low | 32.4 | Very low | 139 Ų | 139 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 74.8 | 114.8 | 164.7 | 75.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 88 | S | 33.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | -153.7 | 155.8 | 122.5 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 89 | S | 32.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -135.7 | 132.5 | -173.8 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 90 | V | 35.5 | Very low | 33.1 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -133.8 | 135.1 | 165.8 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 91 | R | 32.4 | Very low | 33.3 | Very low | 237 Ų | 237 | 144.5 Ų | 144.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 172.8 | 171.9 | -116.6 | -167.8 | 175.4 | -171.9 | 1.1 | 105.8 | ||||
| 92 | P | 37.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | cis | -126.6 | -146.4 | 8.6 | 44 | -24.9 | 0 | 0 | 0 | 110.7 | ||||
| 93 | Q | 35.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | cis | -148.5 | 161.1 | -6 | -126.2 | -132.1 | 115 | 0 | 0 | 109.6 | ||||
| 94 | P | 36.6 | Very low | 33.7 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | trans | -112.9 | 157.4 | -176.2 | 39.9 | -31 | 0 | 0 | 0 | 115.5 | ||||
| 95 | A | 35.7 | Very low | 33.8 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -154.1 | 154.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 96 | G | 36.9 | Very low | 34.1 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 124.6 | 108.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 97 | R | 30.6 | Very low | 34.2 | Very low | 208 Ų | 208 | 145.1 Ų | 145.1 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -149.5 | 117.5 | -172.4 | -177 | -162.1 | -160.4 | -176.8 | 10.3 | 112.2 | ||||
| 98 | I | 36.7 | Very low | 34.4 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -130.7 | 151.9 | 166.1 | -61.1 | -176.5 | 0 | 0 | 0 | 109.3 | ||||
| 99 | R | 29.7 | Very low | 34.4 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | trans | -146.9 | 125.3 | -167 | -123.4 | -172.1 | 176.5 | -170.5 | -2.1 | 111.1 | ||||
| 100 | T | 38.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -153.5 | 99.5 | 158.5 | 43.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 101 | T | 35.8 | Very low | 35.2 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | 66.3 | 110.2 | 84.8 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 102 | P | 34.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -104.7 | 169 | 179.4 | 40.1 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 103 | A | 32.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -128.5 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 104 | K | 32.3 | Very low | 36.8 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -123.8 | 176.2 | -168.7 | -71.3 | 179.6 | 175.1 | 176.9 | 0 | 113.3 | ||||
| 105 | E | 33.2 | Very low | 37.6 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 108.1 | 150 | 151.4 | -63.3 | 169.9 | -155.2 | 0 | 0 | 117.5 | ||||
| 106 | S | 37.3 | Very low | 38.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -160 | 155.2 | -39.1 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 107 | N | 32.2 | Very low | 38.7 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 34.7 | 114.2 | 153.1 | -58.5 | -6.3 | 0 | 0 | 0 | 122.6 | ||||
| 108 | C | 34.5 | Very low | 39.8 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -164.2 | 92.9 | 132.7 | -164.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | T | 32.6 | Very low | 40.4 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -147.1 | 53.2 | -176.5 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 110 | D | 41.2 | Very low | 41 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -126.5 | 5.7 | -177 | -89.4 | -49.4 | 0 | 0 | 0 | 116.5 | ||
| 111 | K | 44.8 | Very low | 41.6 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -123.6 | -4.2 | 178.7 | -69.2 | -170 | 176.5 | -177.5 | 0 | 116.1 | ||
| 112 | L | 44.3 | Very low | 42.2 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -102.3 | -5.4 | -178.6 | -127.3 | 123.7 | 0 | 0 | 0 | 113.9 | R116 | L112-R116 VanDerWaalsContact CD2-CZ 3.45Š|
| 113 | A | 44 | Very low | 42.6 | Very low | 66 Ų | 66 | 135 Ų | 135 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -77.7 | -47.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G115 R116 K117 | A113-G115 PolarHBondContact O-N 3.49Å; A113-R116 PolarHBondContact O-N 3.27Å; A113-K117 PolarHBondContact O-N 2.68Å |
| 114 | E | 48.4 | Very low | 43 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -52.7 | -52.9 | 180 | -130.5 | 64.3 | -124.8 | 0 | 0 | 112.2 | R116 K117 A118 | E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 3.26Å; E114-K117 WeakPolarHBondContact O-CB 3.48Å; E114-K117 PolarHBondContact O-N 2.93Å; E114-A118 PolarHBondContact O-N 2.82Å |
| 115 | G | 55.3 | Low | 43.6 | Very low | 44 Ų | 44 | 127 Ų | 127 | 45% | 0.454 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -66.6 | -29.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A113 R119 | A113-G115 PolarHBondContact O-N 3.49Å; G115-R119 PolarHBondContact O-N 3.02Å; G115-R119 VanDerWaalsContact O-N 3.15Å |
| 116 | R | 46.6 | Very low | 44.1 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 67% | 0.668 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.1 | -37.8 | 174.1 | -75.9 | 179.3 | 170.3 | 160.3 | -1.8 | 111.5 | L112 A113 E114 A118 R119 F120 | L112-R116 VanDerWaalsContact CD2-CZ 3.45Å; A113-R116 PolarHBondContact O-N 3.27Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 3.26Å; R116-A118 VanDerWaalsContact C-N 3.32Å; R116-A118 PolarHBondContact O-N 3.12Å; R116-R119 PolarHBondContact O-N 2.86Å; R116-F120 PolarHBondContact O-N 3.5Å |
| 117 | K | 49.2 | Very low | 44.2 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.6 | -37.8 | 174.2 | -146.2 | 171.4 | -172.6 | 177.3 | 0 | 111.8 | A113 E114 K121 | A113-K117 PolarHBondContact O-N 2.68Å; E114-K117 WeakPolarHBondContact O-CB 3.48Å; E114-K117 PolarHBondContact O-N 2.93Å; K117-K121 WeakPolarHBondContact O-CB 3.25Å; K117-K121 PolarHBondContact O-N 3.4Å |
| 118 | A | 53.7 | Low | 44.3 | Very low | 63 Ų | 63 | 127 Ų | 127 | 52% | 0.521 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -64.9 | -46.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E114 R116 K121 A122 | E114-A118 PolarHBondContact O-N 2.82Å; R116-A118 VanDerWaalsContact C-N 3.32Å; R116-A118 PolarHBondContact O-N 3.12Å; A118-K121 PolarHBondContact O-N 3.32Å; A118-A122 PolarHBondContact O-N 2.9Å; A118-A122 VanDerWaalsContact O-N 3.07Å |
| 119 | R | 49 | Very low | 44.4 | Very low | 202 Ų | 202 | 129.4 Ų | 129.4 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.5 | -38 | 179 | -81.2 | -174.1 | 168.2 | -173.9 | -4 | 113.7 | G115 R116 K121 A122 L123 | G115-R119 PolarHBondContact O-N 3.02Å; G115-R119 VanDerWaalsContact O-N 3.15Å; R116-R119 PolarHBondContact O-N 2.86Å; R119-K121 VanDerWaalsContact C-N 3.32Å; R119-K121 PolarHBondContact O-N 3.36Å; R119-A122 PolarHBondContact O-N 2.8Å; R119-A122 VanDerWaalsContact O-N 3.15Å; R119-L123 PolarHBondContact O-N 3.4Å |
| 120 | F | 41.9 | Very low | 44.4 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.3 | -35.5 | 175.3 | -128.4 | -88.5 | 0 | 0 | 0 | 112.1 | R116 A122 L123 A124 | R116-F120 PolarHBondContact O-N 3.5Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 3.28Å; F120-L123 PolarHBondContact O-N 2.93Å; F120-A124 WeakPolarHBondContact O-CB 3.41Å; F120-A124 PolarHBondContact O-N 3.06Å; F120-A124 VanDerWaalsContact O-N 3.11Å |
| 121 | K | 51.5 | Low | 43.8 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.3 | -21.8 | 173.1 | -168 | 173.7 | 179.8 | -175.8 | 0 | 113.3 | K117 A118 R119 | K117-K121 WeakPolarHBondContact O-CB 3.25Å; K117-K121 PolarHBondContact O-N 3.4Å; A118-K121 PolarHBondContact O-N 3.32Å; R119-K121 VanDerWaalsContact C-N 3.32Å; R119-K121 PolarHBondContact O-N 3.36Å |
| 122 | A | 48.4 | Very low | 43.5 | Very low | 56 Ų | 56 | 132 Ų | 132 | 46% | 0.463 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -82 | -39.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A118 R119 F120 A125 | A118-A122 PolarHBondContact O-N 2.9Å; A118-A122 VanDerWaalsContact O-N 3.07Å; R119-A122 PolarHBondContact O-N 2.8Å; R119-A122 VanDerWaalsContact O-N 3.15Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 3.28Å; A122-A125 PolarHBondContact O-N 2.81Å |
| 123 | L | 42.4 | Very low | 42.7 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -63.9 | -41.9 | 174 | -114.8 | 80.2 | 0 | 0 | 0 | 111.7 | R119 F120 A125 N126 | R119-L123 PolarHBondContact O-N 3.4Å; F120-L123 PolarHBondContact O-N 2.93Å; L123-A125 PolarHBondContact O-N 3.26Å; L123-A125 VanDerWaalsContact O-N 3.11Å; L123-N126 PolarHBondContact O-N 3.44Å |
| 124 | A | 41 | Very low | 42 | Very low | 65 Ų | 65 | 136 Ų | 136 | 54% | 0.537 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | 3.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F120 | F120-A124 WeakPolarHBondContact O-CB 3.41Å; F120-A124 PolarHBondContact O-N 3.06Å; F120-A124 VanDerWaalsContact O-N 3.11Å |
| 125 | A | 43.3 | Very low | 41.2 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 54% | 0.537 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | -5.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A122 L123 | A122-A125 PolarHBondContact O-N 2.81Å; L123-A125 PolarHBondContact O-N 3.26Å; L123-A125 VanDerWaalsContact O-N 3.11Å |
| 126 | N | 44.8 | Very low | 40.1 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -107 | 19 | -178.8 | -79.9 | 13.9 | 0 | 0 | 0 | 113.1 | L123 | L123-N126 PolarHBondContact O-N 3.44Š|
| 127 | I | 38.4 | Very low | 39.5 | Very low | 140 Ų | 140 | 143 Ų | 143 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -122.7 | -12.5 | -177 | -60.4 | -179.2 | 0 | 0 | 0 | 112 | E129 | I127-E129 VanDerWaalsContact C-N 3.3Å; I127-E129 PolarHBondContact O-N 3.05Å |
| 128 | D | 35 | Very low | 38.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 32.4 | 179.9 | -72.6 | -20 | 0 | 0 | 0 | 113.8 | ||
| 129 | E | 37.3 | Very low | 37.9 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 17.6 | -174.1 | -150.9 | 168.6 | -145.7 | 0 | 0 | 115.3 | I127 | I127-E129 VanDerWaalsContact C-N 3.3Å; I127-E129 PolarHBondContact O-N 3.05Å |
| 130 | F | 31.7 | Very low | 37.1 | Very low | 214 Ų | 214 | 142.7 Ų | 142.7 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -135.8 | 66.5 | 174 | -96.3 | -85.5 | 0 | 0 | 0 | 113.6 | ||||
| 131 | E | 29.5 | Very low | 36.7 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -124.6 | 83.5 | 162.3 | -169.6 | 179.2 | -152.1 | 0 | 0 | 109.6 | ||||
| 132 | V | 36.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -138.7 | 133.8 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 133 | D | 28.1 | Very low | 35.3 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -24.5 | 122.5 | -179.5 | -74.2 | -60.1 | 0 | 0 | 0 | 118.5 | ||||
| 134 | C | 30 | Very low | 34.8 | Very low | 120 Ų | 120 | 149 Ų | 149 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -136.6 | 100.6 | 156.4 | -109.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 135 | K | 31.9 | Very low | 34.6 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -70 | 155.8 | 169.3 | -64.5 | 176.3 | -178.3 | 177.6 | 0 | 110.6 | R137 | K135-R137 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | P | 31.8 | Very low | 34.1 | Very low | 135 Ų | 135 | 160.1 Ų | 160.1 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -56.8 | 119.9 | 171 | 24.2 | -34 | 0 | 0 | 0 | 110.5 | ||||
| 137 | R | 33.7 | Very low | 33.5 | Very low | 204 Ų | 204 | 157.7 Ų | 157.7 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -99.4 | 87.4 | -178.7 | -87.5 | -175.7 | 167.1 | 164.7 | -0.1 | 111.1 | K135 | K135-R137 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact O-N 3.14Å | ||
| 138 | N | 34.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 87% | 0.872 | 84% | 0.842 | S | S | * | * | trans | -113.2 | 76 | 155.2 | -85.6 | -13.3 | 0 | 0 | 0 | 109.3 | ||||
| 139 | T | 35.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 157.4 Ų | 157.4 | 72% | 0.724 | 84% | 0.838 | S | S | * | * | trans | -135.1 | 116.5 | 169.9 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | K141 | T139-K141 PolarHBondContact O-N 3.17Š| ||
| 140 | C | 31.3 | Very low | 33.1 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.9 | 178.9 | -77 | 0 | 0 | 0 | 0 | 110.8 | R142 | C140-R142 PolarHBondContact O-N 2.96Š|
| 141 | K | 32.9 | Very low | 33 | Very low | 194 Ų | 194 | 151 Ų | 151 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.6 | 170.5 | -65.2 | 175.9 | -179 | 173.7 | 0 | 109.5 | T139 | T139-K141 PolarHBondContact O-N 3.17Š|
| 142 | R | 35.2 | Very low | 33.4 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -91 | 149.5 | 150.4 | -87.6 | -174 | 170.6 | -179.6 | -1.7 | 109.4 | C140 | C140-R142 PolarHBondContact O-N 2.96Š|
| 143 | P | 36.1 | Very low | 33.3 | Very low | 127 Ų | 127 | 148 Ų | 148 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.7 | 179.1 | -11.9 | 27.4 | 0 | 0 | 0 | 111.1 | ||
| 144 | A | 33 | Very low | 33.8 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79 | 135.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 145 | L | 35.6 | Very low | 34.1 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 126.8 | 176.5 | -127.5 | 167.6 | 0 | 0 | 0 | 108.9 | ||
| 146 | E | 33.6 | Very low | 34.3 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 166.1 | -177.9 | -76 | -167 | 111.4 | 0 | 0 | 114 | ||
| 147 | A | 32.1 | Very low | 34.6 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 145.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 148 | M | 32.6 | Very low | 34.6 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 97% | 0.97 | 83% | 0.826 | S | S | * | * | trans | -131.5 | 126.5 | 140.5 | -93.8 | -85.1 | -132.7 | 0 | 0 | 107.1 | ||||
| 149 | A | 31.6 | Very low | 34.8 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -126.3 | 115 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 150 | L | 36.9 | Very low | 34.9 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | trans | -144.9 | 134.9 | 163.5 | -65.2 | 174.8 | 0 | 0 | 0 | 107.9 | ||||
| 151 | G | 30.2 | Very low | 35.3 | Very low | 73 Ų | 73 | 156.2 Ų | 156.2 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | cis | 152.8 | 48.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 152 | V | 38.6 | Very low | 35.5 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 93% | 0.933 | 83% | 0.828 | S | S | * | * | trans | -139.5 | 154.7 | 177.8 | -157.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 153 | S | 34.8 | Very low | 35.6 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -139 | 141.4 | -155.5 | 60.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 154 | S | 37.1 | Very low | 35.7 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -178.6 | 124.2 | 140.7 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 155 | L | 36.4 | Very low | 35.8 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | 43.1 | 132.2 | 88.1 | -87.4 | 80.2 | 0 | 0 | 0 | 114.7 | |||||
| 156 | A | 37.7 | Very low | 35.9 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | cis | -163 | -168 | -5.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 157 | R | 37.1 | Very low | 36.1 | Very low | 222 Ų | 222 | 141.6 Ų | 141.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -160.4 | 171.4 | 10.7 | -158.3 | 162.6 | -85.1 | 170.5 | -6.4 | 110.6 | ||||
| 158 | N | 34.9 | Very low | 36.2 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 149.1 | -174 | -71.9 | -81 | 0 | 0 | 0 | 117.3 | ||||
| 159 | R | 38.5 | Very low | 36.3 | Very low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | 168.7 | 128.8 | 117.7 | -89.3 | 159.1 | -180 | -178.4 | 0.1 | 110.5 | |||||
| 160 | K | 37.6 | Very low | 36.5 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | 73.9 | 104.1 | 52.6 | -88.5 | -167 | 172.3 | -179.3 | 0 | 116.8 | |||||
| 161 | R | 37.9 | Very low | 36.4 | Very low | 231 Ų | 231 | 136.9 Ų | 136.9 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | 173.5 | 118.9 | 128.2 | -97.2 | -176.1 | 166.1 | 160.4 | -3.5 | 111.3 | |||||
| 162 | T | 39.1 | Very low | 36.6 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | 54.9 | 106.5 | 93.2 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 163 | G | 35.9 | Very low | 36.3 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | 118.9 | 171.4 | 86.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 164 | V | 38.5 | Very low | 36.3 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | cis | -169.5 | 152.7 | -5.5 | 129.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 165 | S | 36.1 | Very low | 36.1 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 70 | 153.6 | 162.5 | 171.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 166 | S | 36.4 | Very low | 35.9 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | -176.8 | 172.5 | -27.2 | -164 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 167 | I | 37.9 | Very low | 35.6 | Very low | 161 Ų | 161 | 146 Ų | 146 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | 75.5 | 121 | 159.9 | -62.1 | 149.2 | 0 | 0 | 0 | 119.8 | ||||
| 168 | G | 35 | Very low | 35.5 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 82.6 | 137.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 169 | G | 34.4 | Very low | 35.2 | Very low | 67 Ų | 67 | 148.7 Ų | 148.7 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | cis | 175.5 | 161.2 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 170 | T | 36.4 | Very low | 35.1 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | 52.3 | 109.5 | 164.3 | 47.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 171 | E | 34.6 | Very low | 34.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | 79.3 | 131.6 | 126.7 | -63 | -175 | 163.4 | 0 | 0 | 124 | |||||
| 172 | A | 34.9 | Very low | 34.6 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 80.1 | 100.2 | 139 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 173 | L | 31.8 | Very low | 34.2 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 81.5 | 149.6 | 131.5 | -97.3 | 77.5 | 0 | 0 | 0 | 123.8 | ||||
| 174 | S | 34.9 | Very low | 34.2 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | 75.7 | 105.5 | 156.2 | 60.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 175 | H | 31.3 | Very low | 34 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 20.9 | 114.4 | 137.6 | -67.4 | -88.1 | 0 | 0 | 0 | 120.4 | ||||
| 176 | A | 33.5 | Very low | 33.9 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -140.6 | 144.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 177 | K | 31.7 | Very low | 33.5 | Very low | 206 Ų | 206 | 148.1 Ų | 148.1 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 146.4 | 165.5 | -65.7 | 168.6 | 176.6 | 173.1 | 0 | 107.7 | ||||
| 178 | E | 35 | Very low | 33.3 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -147.3 | 155.2 | 142.7 | -145.9 | 156.3 | -144.5 | 0 | 0 | 112.7 | ||||
| 179 | R | 28.4 | Very low | 33 | Very low | 221 Ų | 221 | 147.9 Ų | 147.9 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -89.1 | 147.2 | 178.6 | -68.3 | 167.4 | 164.8 | 158.3 | -9.5 | 109.2 | ||||
| 180 | I | 35.3 | Very low | 33 | Very low | 170 Ų | 170 | 154 Ų | 154 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -119 | 108 | 146.6 | -63.2 | -177.4 | 0 | 0 | 0 | 107.3 | ||||
| 181 | V | 30.1 | Very low | 32.7 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 59% | 0.588 | 81% | 0.81 | S | S | * | * | trans | -79.5 | 150.8 | 162.3 | 173.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 182 | N | 35 | Very low | 32.6 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -160.6 | 150.1 | 139.6 | -96.5 | -18.2 | 0 | 0 | 0 | 110.6 | ||||
| 183 | E | 30.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | trans | -94.1 | 158.2 | -177 | -59.8 | 149.3 | 104.9 | 0 | 0 | 111.3 | ||||
| 184 | E | 36.7 | Very low | 32.4 | Very low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -170.8 | 108.1 | 130.7 | -104.6 | 175 | -174.9 | 0 | 0 | 108.1 | ||||
| 185 | H | 34.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 165 Ų | 165 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | 76.7 | 97.5 | 74.6 | -92.7 | -91.5 | 0 | 0 | 0 | 117.2 | |||||
| 186 | A | 33.4 | Very low | 32 | Very low | 76 Ų | 76 | 162.1 Ų | 162.1 | 63% | 0.628 | 82% | 0.817 | S | S | * | * | 67.3 | 118.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 187 | K | 29 | Very low | 31.9 | Very low | 204 Ų | 204 | 162.5 Ų | 162.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | 57.6 | 101.3 | 127.6 | -59.6 | 176.6 | 179.8 | 177.1 | 0 | 120.6 | |||||
| 188 | S | 32.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 164.6 Ų | 164.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -163.5 | 123.3 | 136.7 | -162.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 189 | T | 29.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 161.2 Ų | 161.2 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | cis | 90.8 | 85.3 | 40.6 | -53.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 190 | K | 34.4 | Very low | 32.2 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 176.7 | 124 | 140.3 | -94.1 | 154.8 | -174.5 | -178.2 | 0 | 107.7 | ||||
| 191 | N | 29.2 | Very low | 32.4 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | 62.3 | 91.7 | 66.3 | -80.4 | 5.2 | 0 | 0 | 0 | 114.6 | |||||
| 192 | E | 33.5 | Very low | 32.8 | Very low | 193 Ų | 193 | 155.9 Ų | 155.9 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -125.5 | 64.5 | 160.1 | -167.1 | 105.1 | -121.4 | 0 | 0 | 110 | L194 | E192-L194 PolarHBondContact O-N 3.46Š| ||
| 193 | M | 32.6 | Very low | 32.7 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 9.5 | 90.4 | 148.2 | -170.5 | 158.8 | 153.9 | 0 | 0 | 119.2 | R195 | M193-R195 HydrophobicContact CG-CB 4.48Å; M193-R195 PolarHBondContact O-N 3.1Å; M193-R195 VanDerWaalsContact O-N 3.15Å | ||
| 194 | L | 29.5 | Very low | 32.9 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -69.5 | 99.5 | 157.1 | -91.3 | 168.8 | 0 | 0 | 0 | 110.7 | E192 | E192-L194 PolarHBondContact O-N 3.46Š| ||
| 195 | R | 29.5 | Very low | 33 | Very low | 208 Ų | 208 | 153.9 Ų | 153.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -168.9 | 125.2 | 165.7 | -114.6 | 173.4 | -166.5 | -177.1 | 4.2 | 113.5 | M193 | M193-R195 HydrophobicContact CG-CB 4.48Å; M193-R195 PolarHBondContact O-N 3.1Å; M193-R195 VanDerWaalsContact O-N 3.15Å | ||
| 196 | V | 28.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 56.5 | 156.6 | 165.5 | -98.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 197 | T | 31.5 | Very low | 33 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | cis | -119.2 | 175.3 | -3.6 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | D199 | T197-D199 WeakPolarHBondContact CB-OD2 3.39Å; T197-D199 PolarHBondContact OG1-OD2 2.72Å | ||
| 198 | R | 31.1 | Very low | 33.7 | Very low | 250 Ų | 250 | 148.3 Ų | 148.3 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -128.4 | 102.2 | 173.4 | -177.8 | -176.5 | -168.8 | 160 | 3.3 | 107.9 | ||||
| 199 | D | 32.6 | Very low | 33.8 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -133.7 | 162.2 | -171.1 | -77 | -65.7 | 0 | 0 | 0 | 112.6 | T197 | T197-D199 WeakPolarHBondContact CB-OD2 3.39Å; T197-D199 PolarHBondContact OG1-OD2 2.72Å | ||
| 200 | S | 36.5 | Very low | 34.2 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 90.3 | 63.4 | 166.4 | -50 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 201 | L | 39.3 | Very low | 34.3 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | 71.8 | 171.2 | 120.1 | -62.1 | 162 | 0 | 0 | 0 | 118.8 | |||||
| 202 | P | 39.1 | Very low | 34.7 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | -143.8 | 154.6 | -79.7 | 40.2 | -20.6 | 0 | 0 | 0 | 118.5 | |||||
| 203 | C | 33.6 | Very low | 34.8 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -162.1 | 127.8 | 144.3 | -108.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 204 | M | 35 | Very low | 34.9 | Very low | 162 Ų | 162 | 139 Ų | 139 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | 56.5 | 123 | 86.1 | -57.5 | -70.4 | 95.3 | 0 | 0 | 112.1 | |||||
| 205 | Q | 37.8 | Very low | 35.4 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -145.4 | 169.5 | 26.6 | -64.8 | 177.1 | -33.3 | 0 | 0 | 114.9 | ||||
| 206 | S | 37.3 | Very low | 35.4 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 54.3 | 114.8 | 152.7 | 52.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 207 | S | 30.4 | Very low | 35.9 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -99.9 | -157.3 | 155.1 | 60 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 208 | P | 44.2 | Very low | 36 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | cis | -144.1 | -169.5 | 1.6 | 25.8 | 2.8 | 0 | 0 | 0 | 117 | ||||
| 209 | F | 35.1 | Very low | 36.4 | Very low | 187 Ų | 187 | 124.8 Ų | 124.8 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | 74.8 | 146.2 | 162.8 | -76.2 | -74 | 0 | 0 | 0 | 118.4 | ||||
| 210 | A | 37 | Very low | 36.4 | Very low | 79 Ų | 79 | 127 Ų | 127 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | cis | -147.2 | 159.3 | 2.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 211 | M | 37.7 | Very low | 36.2 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | 21.1 | 148.6 | 143.1 | -52.1 | -63.4 | -170.5 | 0 | 0 | 121.5 | ||||
| 212 | A | 37.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -177.2 | 153 | -17 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 213 | G | 35.7 | Very low | 35.5 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 150.6 | 76.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 214 | T | 34.2 | Very low | 35.6 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -94.5 | 169.5 | 157 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 215 | P | 39.9 | Very low | 35.6 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | cis | -138.5 | -168.3 | 15 | 41.2 | -20.6 | 0 | 0 | 0 | 115.8 | ||||
| 216 | S | 29.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -80.2 | 173.7 | 161.5 | 72.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 217 | P | 38.9 | Very low | 35.6 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -151 | -164.9 | 60 | 42.4 | -19.9 | 0 | 0 | 0 | 116.4 | |||||
| 218 | T | 33.4 | Very low | 35.9 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -55.6 | 157.5 | 172.4 | -11.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 219 | P | 39.5 | Very low | 35.5 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -153.3 | -175.9 | 98 | 41.2 | -23.6 | 0 | 0 | 0 | 116.1 | |||||
| 220 | M | 32.3 | Very low | 35.5 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -99.8 | 159.9 | 167.6 | -60.2 | 177.2 | 79 | 0 | 0 | 112.6 | ||||
| 221 | S | 32.6 | Very low | 35.5 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 105.7 | 128.7 | 144.6 | -51 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 222 | R | 33.1 | Very low | 35.6 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | 80.7 | 106.8 | 137.1 | -87.6 | -175.4 | 168.2 | 179.2 | -3.7 | 123 | ||||
| 223 | S | 31.8 | Very low | 35.6 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | 76.8 | 137.5 | 117.2 | 71.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 224 | R | 35.3 | Very low | 35.6 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | 171.9 | 141.1 | 106 | -98.1 | 174.4 | 168.7 | -174.6 | -5.2 | 115.8 | |||||
| 225 | I | 35.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | 65.7 | 136.4 | 143 | -62.5 | 164.3 | 0 | 0 | 0 | 116 | ||||
| 226 | V | 39.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | cis | -125 | 155.6 | 17 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 227 | E | 34.9 | Very low | 35.7 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | cis | 108.1 | 150.4 | 11.3 | -145.9 | 156.6 | -94 | 0 | 0 | 115.2 | ||||
| 228 | Y | 37.3 | Very low | 35.7 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | 67 | 141.4 | -162.5 | -55.4 | -79.6 | 0 | 0 | 0 | 116.9 | ||||
| 229 | G | 35.8 | Very low | 35.8 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | 173.3 | 90.6 | -9.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 230 | E | 35 | Very low | 35.7 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | 61.6 | 155.1 | 155.4 | -52.6 | -165.8 | 145.5 | 0 | 0 | 124.6 | ||||
| 231 | N | 36.4 | Very low | 35.8 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 79.2 | 88.3 | 154.2 | -58.1 | -48.2 | 0 | 0 | 0 | 122.8 | ||||
| 232 | V | 39.3 | Very low | 35.8 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | 25.9 | 139.1 | 105 | 177.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 233 | P | 38.8 | Very low | 35.9 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | cis | -138.2 | 179.2 | 18.1 | 35.8 | -14.5 | 0 | 0 | 0 | 119 | ||||
| 234 | N | 35.2 | Very low | 35.9 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 77.2 | 128.2 | 145.5 | -99.2 | 40.4 | 0 | 0 | 0 | 125 | ||||
| 235 | E | 35.3 | Very low | 35.8 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | 64.7 | 119.2 | 141.2 | -75.9 | -176.2 | 102 | 0 | 0 | 123.6 | ||||
| 236 | K | 35.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | trans | 84 | 105.8 | 136.7 | -71.1 | 171.8 | 173.4 | 145.3 | 0 | 120.4 | ||||
| 237 | D | 35.7 | Very low | 35.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | 81.1 | 92.2 | 124.9 | -52.1 | -21 | 0 | 0 | 0 | 120.4 | |||||
| 238 | T | 37.6 | Very low | 35.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 65.1 | 89 | 132.4 | 56.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 239 | A | 35.2 | Very low | 35.2 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | 53.5 | 89.7 | 122.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 240 | H | 37.7 | Very low | 35 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | -59.3 | 134.7 | 138.9 | -78 | -61.9 | 0 | 0 | 0 | 109.3 | ||||
| 241 | K | 33.9 | Very low | 34.7 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | 84.2 | 145.7 | 58.3 | -162.5 | -146.4 | 171.6 | -162.3 | 0 | 111.8 | |||||
| 242 | T | 33.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 61% | 0.613 | 72% | 0.724 | S | S | * | * | trans | 66.5 | 142.9 | 171.6 | 48.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 243 | D | 34.7 | Very low | 34.1 | Very low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | cis | -165.5 | 174.9 | 2.6 | -108.7 | -3.2 | 0 | 0 | 0 | 108.1 | ||||
| 244 | N | 32.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | cis | -160.6 | 166.7 | 6.1 | -130.6 | -42.2 | 0 | 0 | 0 | 111.5 | ||||
| 245 | A | 33.6 | Very low | 33.2 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | 61 | 149.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 246 | A | 33.5 | Very low | 32.9 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | cis | -167.8 | 168.6 | -20.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 247 | H | 36.4 | Very low | 33.3 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | 60.2 | 101.4 | 158.7 | -66.3 | -66.1 | 0 | 0 | 0 | 121.6 | ||||
| 248 | K | 32.9 | Very low | 33.1 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | 177 | 144.5 | 111 | -90.6 | 176.1 | 178.6 | -176.2 | 0 | 106.5 | |||||
| 249 | N | 31.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | 58.6 | 133.8 | 56.1 | -59.3 | 52.5 | 0 | 0 | 0 | 110.2 | |||||
| 250 | E | 31.2 | Very low | 32.9 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | -161.4 | 160.7 | 6.2 | -135.4 | 152.9 | -123.5 | 0 | 0 | 109.6 | ||||
| 251 | S | 29.1 | Very low | 32.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | 32 | 161.2 | 144.7 | 67.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 252 | S | 30 | Very low | 32.5 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | 73.3 | 115.7 | 160.7 | -61.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 253 | A | 32.7 | Very low | 32.4 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | 89.4 | 134.5 | 51.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y255 | A253-Y255 PolarHBondContact O-N 2.76Š| |||
| 254 | Q | 26.1 | Very low | 32.1 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 127.4 | -171 | -62.9 | 130.9 | -71.6 | 0 | 0 | 111.2 | ||||
| 255 | Y | 28.8 | Very low | 32 | Very low | 220 Ų | 220 | 134.3 Ų | 134.3 | 86% | 0.863 | 77% | 0.768 | S | S | * | * | trans | -109.7 | 123.2 | 166.3 | -93.8 | -92.6 | 0 | 0 | 0 | 110.2 | A253 | A253-Y255 PolarHBondContact O-N 2.76Š| ||
| 256 | S | 30.4 | Very low | 31.9 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 156 | 178 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 257 | P | 42.5 | Very low | 31.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 143.3 | 170 | 27 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 258 | L | 32.1 | Very low | 31.6 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 131.8 | -174 | -73.2 | 157.2 | 0 | 0 | 0 | 112.8 | ||
| 259 | P | 32.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 136.7 | 162.7 | 34 | -30.4 | 0 | 0 | 0 | 111 | ||
| 260 | V | 34.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -129.6 | 131.7 | 176.8 | 179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 261 | P | 33.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | -137 | -175.9 | -119.1 | 37.2 | -17.9 | 0 | 0 | 0 | 116.3 | |||||
| 262 | V | 30.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 75.5 | 138.5 | 167.1 | -170.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 263 | A | 32.8 | Very low | 31.2 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | cis | -122.6 | 148.4 | 5.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 264 | Q | 27.8 | Very low | 31 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 124.1 | 151.4 | -78.5 | -167.8 | -40.9 | 0 | 0 | 109.3 | ||||
| 265 | L | 30.6 | Very low | 31.2 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -128.4 | 103.8 | 148.7 | -75.5 | 172.9 | 0 | 0 | 0 | 105.7 | ||||
| 266 | S | 30.7 | Very low | 31.2 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | 77.3 | 102.4 | 72.5 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | P268 | S266-P268 WeakPolarHBondContact O-CD 3.33Š| |||
| 267 | I | 28.1 | Very low | 31.1 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -56.4 | 137 | 176.9 | -63.9 | 155 | 0 | 0 | 0 | 111.1 | ||||
| 268 | P | 35.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -109.9 | 119.4 | 137.5 | 32.3 | -28.9 | 0 | 0 | 0 | 110.6 | S266 S270 | S266-P268 WeakPolarHBondContact O-CD 3.33Å; P268-S270 PolarHBondContact O-N 3.43Å | ||
| 269 | N | 27.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 116.8 | 163.9 | -107.8 | -26 | 0 | 0 | 0 | 107.7 | ||||
| 270 | S | 32.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -135.4 | 87.7 | 166.8 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | P268 | P268-S270 PolarHBondContact O-N 3.43Š| ||
| 271 | Q | 28.6 | Very low | 30.6 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 169 | 155.9 | -68 | -176.5 | -10.2 | 0 | 0 | 109.7 | ||||
| 272 | S | 28.7 | Very low | 30.7 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | 70.4 | 142.9 | -161.8 | 81.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 273 | L | 29.9 | Very low | 30.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | cis | -110.9 | 131.2 | 3.6 | -64.4 | 155.7 | 0 | 0 | 0 | 108.8 | ||||
| 274 | I | 29 | Very low | 31 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | 61.6 | 83.4 | 67.6 | -55 | -179.7 | 0 | 0 | 0 | 112.8 | |||||
| 275 | T | 29.2 | Very low | 31.3 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 54.5 | 90.8 | 130.8 | -42.6 | 0 | 0 | 0 | 0 | 119.3 | C277 | T275-C277 HydrophobicContact CG2-CB 4.04Š| ||
| 276 | E | 28.6 | Very low | 31.5 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 98% | 0.977 | 76% | 0.758 | S | S | * | * | trans | -89.6 | 100.1 | 141.6 | -77.6 | -153.4 | 132.1 | 0 | 0 | 110 | ||||
| 277 | C | 29.1 | Very low | 31.7 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -158.9 | 97.2 | 168.9 | -171.3 | 0 | 0 | 0 | 0 | 112 | T275 | T275-C277 HydrophobicContact CG2-CB 4.04Š| ||
| 278 | S | 32.9 | Very low | 32.2 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | 177.7 | 122.5 | 144.2 | -85.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 279 | Q | 30.9 | Very low | 32.2 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -70.9 | 128.2 | 153.7 | -66.8 | 170.5 | -16.5 | 0 | 0 | 108 | ||||
| 280 | N | 33 | Very low | 32.5 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | 158.4 | 128.6 | 130.2 | -82.7 | -56.9 | 0 | 0 | 0 | 112.2 | ||||
| 281 | L | 34.1 | Very low | 32.7 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -76.7 | 169.1 | 159.8 | -86 | 79.8 | 0 | 0 | 0 | 110 | ||||
| 282 | P | 35.9 | Very low | 33.1 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | cis | -138.3 | 171.4 | -35.7 | 35.3 | -18.5 | 0 | 0 | 0 | 113.3 | ||||
| 283 | N | 33.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | 148 | 145.7 | 126.7 | -78 | -27.8 | 0 | 0 | 0 | 115.3 | |||||
| 284 | T | 35.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | 56.9 | 106.3 | 150.3 | 50.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 285 | E | 34.1 | Very low | 33.9 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | 94.1 | 136.5 | 89 | -85.5 | 177.5 | -161.8 | 0 | 0 | 112.5 | |||||
| 286 | T | 34.9 | Very low | 34 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | cis | -162.5 | 175.5 | -16.9 | -25.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 287 | I | 35.4 | Very low | 34.3 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | 70.2 | 138.4 | 151.4 | -71.9 | 162.6 | 0 | 0 | 0 | 116.5 | ||||
| 288 | H | 37.4 | Very low | 34.5 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | cis | -168.1 | 148.6 | -16 | -108 | -28.8 | 0 | 0 | 0 | 109.7 | ||||
| 289 | K | 35.8 | Very low | 34.7 | Very low | 171 Ų | 171 | 133 Ų | 133 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | 57.9 | 160.7 | 143 | -69.3 | -163.9 | 166.2 | -142.4 | 0 | 121.4 | ||||
| 290 | A | 34.7 | Very low | 34.6 | Very low | 61 Ų | 61 | 129.7 Ų | 129.7 | 50% | 0.504 | 72% | 0.722 | S | S | . | * | cis | -177.4 | 167.3 | -29.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 291 | E | 35.6 | Very low | 34.6 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 65.5 | 147.5 | 148.9 | -68.4 | 141.4 | -147.1 | 0 | 0 | 117.2 | ||||
| 292 | D | 36.9 | Very low | 34.5 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -167.7 | 155.8 | -8 | -117.6 | 3.3 | 0 | 0 | 0 | 114.5 | ||||
| 293 | V | 38 | Very low | 34.5 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | 67.7 | 117.4 | 132.6 | 170.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 294 | N | 33.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 58.1 | 170.4 | 135.5 | -64.1 | 32.9 | 0 | 0 | 0 | 121.9 | ||||
| 295 | D | 33.9 | Very low | 34.2 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | cis | -150.8 | 161.1 | -2.1 | -133.2 | -46.6 | 0 | 0 | 0 | 114.4 | ||||
| 296 | T | 31.3 | Very low | 33.9 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | 10.2 | 129.1 | 148.4 | -60.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 297 | A | 33.7 | Very low | 33.7 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | 172.7 | 145.9 | 123 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 298 | M | 34 | Very low | 33.3 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -113.3 | 154.4 | 162.5 | -86.6 | -82.4 | -76.7 | 0 | 0 | 109.3 | ||||
| 299 | P | 38 | Very low | 33.1 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | -152.6 | 176.9 | 104.6 | 39.1 | -20.7 | 0 | 0 | 0 | 116.5 | |||||
| 300 | S | 28.3 | Very low | 32.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -79 | 165.1 | 179 | 59.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 301 | V | 33 | Very low | 32.5 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -155 | 164.6 | 144.8 | 123.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 302 | Q | 31.1 | Very low | 32.2 | Very low | 183 Ų | 183 | 132.6 Ų | 132.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -91.5 | 171 | -162.1 | -87.5 | -177.5 | -24.3 | 0 | 0 | 117.5 | ||||
| 303 | P | 37.1 | Very low | 32 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -102 | 167.6 | -174 | 40.1 | -36.9 | 0 | 0 | 0 | 116.5 | ||||
| 304 | S | 32.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -155.1 | 130.5 | 167.9 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 305 | Q | 29.9 | Very low | 31.4 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 88.2 | 124.8 | 52.3 | -82.8 | -122.2 | -22.8 | 0 | 0 | 116 | |||||
| 306 | I | 26.3 | Very low | 31 | Very low | 145 Ų | 145 | 135 Ų | 135 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 71.7 | 118.8 | 154.9 | -58.8 | 162.6 | 0 | 0 | 0 | 119.7 | ||||
| 307 | S | 30.8 | Very low | 31 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | -156.9 | 159.2 | 122.3 | 69 | 0 | 0 | 0 | 0 | 111 | |||||
| 308 | V | 27.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -146.3 | 134.8 | -167.6 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 309 | A | 32.7 | Very low | 30.6 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -151.6 | 128 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 310 | R | 28.5 | Very low | 30.2 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | 52.8 | 121.8 | 56.7 | -70.7 | -173.9 | 169.6 | 162.4 | -1.1 | 111.3 | |||||
| 311 | V | 31 | Very low | 30.1 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | -159.8 | 124.6 | 65.1 | 151.6 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 312 | S | 27.7 | Very low | 30 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | 57.4 | 134.3 | 76.8 | -46 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 313 | Q | 33.2 | Very low | 29.9 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | cis | -153.1 | 165.9 | 31.9 | -66.1 | 174.6 | -22.9 | 0 | 0 | 111.6 | ||||
| 314 | A | 27.1 | Very low | 29.6 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 14.1 | 151 | 133.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 315 | I | 30.7 | Very low | 29.5 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | -149.3 | 140.9 | 55.5 | -76.9 | 161.7 | 0 | 0 | 0 | 112.6 | |||||
| 316 | S | 26.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -83 | 151.2 | 172.6 | -34.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 317 | K | 31.3 | Very low | 29.7 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -166.8 | 128.8 | 137.1 | -107.4 | 156.3 | -170.6 | 178.8 | 0 | 112.4 | ||||
| 318 | S | 26.5 | Very low | 29.7 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -96.2 | 144.6 | 170.4 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 319 | Y | 31.6 | Very low | 29.8 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -170.8 | 104.3 | 150.2 | -80.4 | -56.9 | 0 | 0 | 0 | 105.6 | ||||
| 320 | S | 29.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | 83.3 | 94.2 | 71.7 | 73.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 321 | T | 28.2 | Very low | 29.6 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 67.5 | 148.1 | 142.2 | 24.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 322 | T | 29.3 | Very low | 29.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 73.3 | 112 | 149.6 | 43.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 323 | A | 29.5 | Very low | 29.4 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | 107.8 | 122.6 | 119.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 324 | E | 31.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 61.5 | 113.3 | 147.9 | -59.6 | -151.3 | 135.8 | 0 | 0 | 122.7 | ||||
| 325 | R | 29.2 | Very low | 29.6 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | 62.8 | 106.1 | 121.8 | -171.4 | -165.4 | -73.4 | -143.8 | -1.7 | 118.2 | |||||
| 326 | G | 30.9 | Very low | 29.6 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 171.7 | 78.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 327 | E | 29.5 | Very low | 29.8 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 21.3 | 150.5 | 143.8 | -81.2 | 168.2 | -161.4 | 0 | 0 | 124.3 | ||||
| 328 | H | 31.3 | Very low | 29.9 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | 81.3 | 110.3 | 155.7 | -88 | -116.1 | 0 | 0 | 0 | 121.5 | ||||
| 329 | E | 29.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | 104.1 | 117.5 | 128.9 | -71.1 | -175.2 | -147.2 | 0 | 0 | 123.8 | |||||
| 330 | L | 28.5 | Very low | 30 | Very low | 128 Ų | 128 | 137 Ų | 137 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | 70.1 | 103.8 | 136.6 | -88.2 | 81.2 | 0 | 0 | 0 | 122.8 | ||||
| 331 | W | 27.5 | Very low | 30.3 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | 81.8 | 122.4 | 114.4 | -85 | 40.9 | 0 | 0 | 0 | 121.4 | |||||
| 332 | T | 28 | Very low | 30.4 | Very low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | 42.9 | 117.1 | 136.5 | 64.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 333 | N | 28.3 | Very low | 30.9 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | -105.4 | 150.1 | 157.3 | -156.3 | 2.6 | 0 | 0 | 0 | 110.4 | ||||
| 334 | E | 30.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | trans | -139.1 | 170.8 | -167 | -148.6 | -158.1 | 149.4 | 0 | 0 | 110.9 | ||||
| 335 | K | 33.2 | Very low | 31 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | trans | 63.3 | 98.5 | 158.2 | -74.3 | 160.8 | 173.4 | 123.2 | 0 | 118.5 | ||||
| 336 | S | 31.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 38.4 | 143.9 | 107.8 | 69.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 337 | S | 30.8 | Very low | 31.1 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | 172.7 | 159.3 | 75.6 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 338 | L | 32.1 | Very low | 31.5 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | 67.2 | 150.1 | 153.8 | -67.7 | 158.9 | 0 | 0 | 0 | 117.8 | ||||
| 339 | S | 31.3 | Very low | 31.7 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | cis | -165 | 140.4 | -14.5 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 340 | S | 29.8 | Very low | 31.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 41.4 | 119.3 | 144.3 | -165.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 341 | A | 34.6 | Very low | 31.8 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | -156.8 | 146 | 126.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 342 | A | 32 | Very low | 31.9 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -157 | -169.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 343 | P | 38.7 | Very low | 31.9 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | cis | -126.5 | -172 | -19.4 | 41.4 | -26.2 | 0 | 0 | 0 | 112 | ||||
| 344 | F | 34.2 | Very low | 31.9 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | -177.4 | 169.7 | 121.1 | -111.2 | -79.1 | 0 | 0 | 0 | 112.3 | |||||
| 345 | Q | 28.7 | Very low | 31.7 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -115.5 | 151.1 | -165.2 | -57.1 | 166.6 | -58.4 | 0 | 0 | 113.7 | ||||
| 346 | S | 35.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -160.1 | 162.5 | 138.2 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | S | 28.4 | Very low | 31.3 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 148.6 | -163.4 | -167.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 348 | P | 38 | Very low | 31.2 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68 | 157 | 151.9 | 32.3 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 349 | V | 34.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 157.5 | -172.7 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 350 | A | 28.3 | Very low | 31.3 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -116.2 | 124 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 351 | E | 33.1 | Very low | 31.3 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -138.7 | 115.8 | 161.4 | -75.5 | 179 | 148 | 0 | 0 | 105.7 | ||||
| 352 | C | 28 | Very low | 31.2 | Very low | 138 Ų | 138 | 153.2 Ų | 153.2 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | cis | 80.8 | 118.8 | 41.5 | -158.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 353 | G | 29.5 | Very low | 31.4 | Very low | 79 Ų | 79 | 154.2 Ų | 154.2 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | 165.7 | 40.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 354 | I | 26.8 | Very low | 31.1 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | trans | -110 | 149.2 | 170.6 | -56.1 | 178 | 0 | 0 | 0 | 108.8 | ||||
| 355 | E | 28.2 | Very low | 31.2 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | 79.8 | 109.3 | -179.1 | -55.7 | -155.8 | 144.3 | 0 | 0 | 117.7 | ||||
| 356 | S | 29 | Very low | 31.4 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -150.6 | 174 | 138.6 | 62.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 357 | F | 26.3 | Very low | 31.5 | Very low | 192 Ų | 192 | 150 Ų | 150 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | 68.7 | 67.5 | -179.6 | -61.6 | -79.6 | 0 | 0 | 0 | 118.6 | ||||
| 358 | F | 29.3 | Very low | 31.7 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | -168.4 | 95.2 | 122.7 | -104.3 | -62.3 | 0 | 0 | 0 | 113.8 | |||||
| 359 | R | 31.3 | Very low | 31.6 | Very low | 250 Ų | 250 | 148.5 Ų | 148.5 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -164.4 | 149.6 | 139.6 | -112.3 | 169.1 | -161.3 | -141.2 | 2.8 | 112.5 | ||||
| 360 | R | 34 | Very low | 31.6 | Very low | 238 Ų | 238 | 148.9 Ų | 148.9 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -95.3 | 159.5 | 177.5 | -63.5 | 179.4 | -174.6 | 159.1 | 1.8 | 110.8 | ||||
| 361 | K | 29.7 | Very low | 32 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -57.1 | 143.9 | 177.7 | -56.2 | 174.5 | -179.3 | 179.4 | 0 | 112.7 | ||||
| 362 | S | 32.9 | Very low | 32.1 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -163.6 | 139.2 | 135.5 | -94.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 363 | P | 35.3 | Very low | 32.3 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -108.4 | 172.9 | -169.4 | 40.8 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 364 | S | 33.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 71.6 | 141.6 | 157.9 | -118.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 365 | T | 35.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | cis | -163.1 | 159 | -11.3 | -1.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 366 | A | 33.3 | Very low | 33.1 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 74 | 117 | 148.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 367 | K | 36.5 | Very low | 33 | Very low | 197 Ų | 197 | 146.8 Ų | 146.8 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | 58.4 | 139 | 119.7 | -70.3 | -176 | 176 | -178.3 | 0 | 121.1 | |||||
| 368 | T | 33.5 | Very low | 33.3 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -168.1 | 156.6 | -23.4 | -11 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 369 | G | 34.7 | Very low | 33.4 | Very low | 58 Ų | 58 | 141.5 Ų | 141.5 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | trans | 112 | 125.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 370 | N | 35 | Very low | 33.3 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | 75.5 | 127 | 54.6 | -70.7 | 73.6 | 0 | 0 | 0 | 111.1 | |||||
| 371 | D | 36.6 | Very low | 33.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | cis | -150.3 | 136.1 | 19.3 | -90.6 | -34 | 0 | 0 | 0 | 111.3 | ||||
| 372 | I | 36 | Very low | 33.1 | Very low | 128 Ų | 128 | 123 Ų | 123 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | 98.8 | 115.9 | 96.2 | -73.2 | 176 | 0 | 0 | 0 | 116 | |||||
| 373 | L | 32.4 | Very low | 32.9 | Very low | 152 Ų | 152 | 124.5 Ų | 124.5 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 61.6 | 156.5 | 153.4 | -64.9 | 172 | 0 | 0 | 0 | 119.8 | ||||
| 374 | S | 34.3 | Very low | 32.5 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -147.1 | 142.2 | 3.9 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 375 | I | 32.2 | Very low | 32.2 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | 38.5 | 124.2 | 123.8 | -41.6 | 167.8 | 0 | 0 | 0 | 116.8 | |||||
| 376 | V | 33.4 | Very low | 31.7 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | -139 | 154.9 | 51.9 | -177.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 377 | N | 28.8 | Very low | 31.4 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -77.2 | 140.1 | -175 | -53.7 | -41.6 | 0 | 0 | 0 | 115.9 | ||||
| 378 | I | 31.9 | Very low | 30.8 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | -138.2 | 101.3 | 139.5 | -55.8 | 179.7 | 0 | 0 | 0 | 107.6 | ||||
| 379 | P | 30.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | trans | -88.4 | 133.7 | 177.5 | 33.4 | -29.3 | 0 | 0 | 0 | 111 | S381 | P379-S381 PolarHBondContact O-N 2.85Š| ||
| 380 | S | 29.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -69.6 | 126.3 | 177.4 | 41.8 | 0 | 0 | 0 | 0 | 112 | G382 | S380-G382 PolarHBondContact O-N 2.99Š| ||
| 381 | S | 32.5 | Very low | 29.9 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -69.9 | 115.9 | 167.8 | 41.5 | 0 | 0 | 0 | 0 | 110.1 | P379 L383 | P379-S381 PolarHBondContact O-N 2.85Å; S381-L383 PolarHBondContact O-N 3.16Å | ||
| 382 | G | 27.5 | Very low | 29.4 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -70.8 | 112.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | S380 R384 | S380-G382 PolarHBondContact O-N 2.99Å; G382-R384 PolarHBondContact O-N 3.14Å | ||
| 383 | L | 28.2 | Very low | 29.1 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -65.6 | 102.6 | 171.9 | -88.1 | 83.5 | 0 | 0 | 0 | 110.1 | S381 V385 | S381-L383 PolarHBondContact O-N 3.16Å; L383-V385 PolarHBondContact O-N 3.34Å | ||
| 384 | R | 26.6 | Very low | 28.9 | Very low | 219 Ų | 219 | 130.4 Ų | 130.4 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | -67.5 | 95.8 | 159.1 | -176 | -171.6 | -106.1 | -165.6 | -2.2 | 107.1 | G382 H386 | G382-R384 PolarHBondContact O-N 3.14Å; R384-H386 PolarHBondContact O-N 2.94Å | ||
| 385 | V | 27.1 | Very low | 28.6 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 56% | 0.564 | 72% | 0.722 | S | S | * | * | trans | -67.6 | 94.1 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | L383 F387 | L383-V385 PolarHBondContact O-N 3.34Å; V385-F387 HydrophobicContact CB-CE2 4.35Å; V385-F387 HydrophobicContact CG1-CD1 4.44Å; V385-F387 HydrophobicContact CG1-CD2 3.94Å; V385-F387 HydrophobicContact CG1-CE1 4.18Å; V385-F387 HydrophobicContact CG1-CE2 3.64Å; V385-F387 HydrophobicContact CG1-CG 4.34Å; V385-F387 HydrophobicContact CG1-CZ 3.77Å; V385-F387 PolarHBondContact O-N 3.39Å | ||
| 386 | H | 25.4 | Very low | 28.4 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | trans | -69.5 | 112.5 | 161.4 | -89.9 | -112.3 | 0 | 0 | 0 | 108.6 | R384 S388 | R384-H386 PolarHBondContact O-N 2.94Å; H386-S388 PolarHBondContact O-N 3.38Å | ||
| 387 | F | 26.5 | Very low | 28.2 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | trans | -79.4 | 65.4 | 169.5 | -77.2 | -78.5 | 0 | 0 | 0 | 110.6 | V385 N389 | V385-F387 HydrophobicContact CB-CE2 4.35Å; V385-F387 HydrophobicContact CG1-CD1 4.44Å; V385-F387 HydrophobicContact CG1-CD2 3.94Å; V385-F387 HydrophobicContact CG1-CE1 4.18Å; V385-F387 HydrophobicContact CG1-CE2 3.64Å; V385-F387 HydrophobicContact CG1-CG 4.34Å; V385-F387 HydrophobicContact CG1-CZ 3.77Å; V385-F387 PolarHBondContact O-N 3.39Å; F387-N389 PolarHBondContact O-N 2.97Å | ||
| 388 | S | 25.4 | Very low | 28.3 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | -76.8 | 65.9 | 171.3 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | H386 E390 | H386-S388 PolarHBondContact O-N 3.38Å; S388-E390 PolarHBondContact O-N 3.43Å | ||
| 389 | N | 29.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | trans | -90 | 71 | 177.5 | -80.1 | 11.9 | 0 | 0 | 0 | 111 | F387 I391 | F387-N389 PolarHBondContact O-N 2.97Å; N389-I391 HydrophobicContact CB-CG1 4.35Å; N389-I391 PolarHBondContact O-N 3.07Å | ||
| 390 | E | 26.5 | Very low | 28.3 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | -72.2 | 81.8 | 163.6 | -69.7 | -171.8 | 134.1 | 0 | 0 | 109.6 | S388 A392 | S388-E390 PolarHBondContact O-N 3.43Å; E390-A392 PolarHBondContact O-N 2.95Å; E390-A392 VanDerWaalsContact O-N 3.09Å | ||
| 391 | I | 28.2 | Very low | 28.1 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | trans | -80.2 | 92.5 | 173.6 | -50.4 | -177.8 | 0 | 0 | 0 | 108.1 | N389 V393 | N389-I391 HydrophobicContact CB-CG1 4.35Å; N389-I391 PolarHBondContact O-N 3.07Å; I391-V393 HydrophobicContact CG2-CG2 3.68Å; I391-V393 PolarHBondContact O-N 3.38Å | ||
| 392 | A | 26.1 | Very low | 28.2 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | -66.8 | 79.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E390 I394 | E390-A392 PolarHBondContact O-N 2.95Å; E390-A392 VanDerWaalsContact O-N 3.09Å; A392-I394 PolarHBondContact O-N 3.46Å | ||
| 393 | V | 28.4 | Very low | 28.3 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 52% | 0.521 | 72% | 0.719 | S | S | . | * | trans | -72.6 | 109 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | I391 D395 | I391-V393 HydrophobicContact CG2-CG2 3.68Å; I391-V393 PolarHBondContact O-N 3.38Å; V393-D395 PolarHBondContact O-N 3.05Å | ||
| 394 | I | 29.1 | Very low | 28.6 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -66.5 | 115.4 | 172.2 | -59.3 | 171.3 | 0 | 0 | 0 | 108 | A392 A396 | A392-I394 PolarHBondContact O-N 3.46Å; I394-A396 PolarHBondContact O-N 2.71Å | ||
| 395 | D | 28.6 | Very low | 28.8 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 38% | 0.38 | 71% | 0.707 | S | S | . | * | trans | -77.3 | 91 | -179.1 | -66.1 | -51.4 | 0 | 0 | 0 | 110.9 | V393 R952 R954 | V393-D395 PolarHBondContact O-N 3.05Å; D395-R952 IonicContact OD1-CZ 3.6Å; D395-R952 IonicContact OD1-NH1 3.44Å; D395-R952 PolarHBondContact OD1-NH1 2.69Å; D395-R952 IonicContact OD1-NH2 2.71Å; D395-R952 IonicContact OD2-CZ 2.69Å; D395-R952 IonicContact OD2-NH1 2.7Å; D395-R952 PolarHBondContact OD2-NH1 3.42Å; D395-R952 IonicContact OD2-NH2 2.69Å; D395-R952 PolarHBondContact OD2-NH2 2.87Å; D395-R954 IonicContact OD2-CZ 3.29Å; D395-R954 IonicContact OD2-NH1 3.45Å; D395-R954 IonicContact OD2-NH2 3.87Å; D395-R954 PolarHBondContact OD2-NH2 3.47Å | ||
| 396 | A | 27.9 | Very low | 29.1 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | -107.8 | 70.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I394 | I394-A396 PolarHBondContact O-N 2.71Š| ||
| 397 | Y | 28.7 | Very low | 29.6 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -123.1 | 36.7 | -176 | -87.2 | -72.1 | 0 | 0 | 0 | 114.7 | ||||
| 398 | E | 30.6 | Very low | 29.8 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -107.2 | 149.8 | 151.9 | -65 | -160 | 137.2 | 0 | 0 | 110 | ||
| 399 | A | 31.1 | Very low | 30.4 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 67 | 50.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 400 | L | 30.9 | Very low | 30.5 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -133.2 | 63 | 158.9 | -82.5 | -176.1 | 0 | 0 | 0 | 114.4 | I402 | L400-I402 HydrophobicContact CD2-CD1 3.75Å; L400-I402 HydrophobicContact CD2-CG1 4.27Å | ||
| 401 | D | 26.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -97.4 | 81.8 | 164.8 | -167.9 | 11.4 | 0 | 0 | 0 | 110.5 | ||||
| 402 | I | 33.3 | Very low | 31 | Very low | 126 Ų | 126 | 144 Ų | 144 | 65% | 0.646 | 76% | 0.756 | S | S | * | * | trans | -115.2 | 96.2 | -178.6 | -57.2 | -176.2 | 0 | 0 | 0 | 110.5 | L400 T404 | L400-I402 HydrophobicContact CD2-CD1 3.75Å; L400-I402 HydrophobicContact CD2-CG1 4.27Å; I402-T404 PolarHBondContact O-N 2.75Å; I402-T404 VanDerWaalsContact O-N 3.13Å | ||
| 403 | T | 30 | Very low | 31.5 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -63 | 108.1 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | D405 | T403-D405 PolarHBondContact O-N 2.92Š| ||
| 404 | T | 33.7 | Very low | 31.7 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -88.4 | 76.2 | 177.9 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | I402 R406 | I402-T404 PolarHBondContact O-N 2.75Å; I402-T404 VanDerWaalsContact O-N 3.13Å; T404-R406 PolarHBondContact O-N 3.08Å | ||
| 405 | D | 32.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | trans | -67.2 | 86.3 | -179.3 | -179.4 | 20.3 | 0 | 0 | 0 | 113.2 | T403 K407 | T403-D405 PolarHBondContact O-N 2.92Å; D405-K407 VanDerWaalsContact C-N 3.27Å; D405-K407 PolarHBondContact O-N 2.89Å; D405-K407 IonicContact OD1-NZ 3.57Å; D405-K407 IonicContact OD2-NZ 2.71Å; D405-K407 PolarHBondContact OD2-NZ 3.04Å | ||
| 406 | R | 33 | Very low | 32.5 | Very low | 236 Ų | 236 | 151 Ų | 151 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -80.1 | 61.5 | -168.9 | -138.1 | 173.3 | -170.2 | 171.5 | 4.3 | 113.3 | T404 K408 | T404-R406 PolarHBondContact O-N 3.08Å; R406-K408 PolarHBondContact O-N 3.47Å | ||
| 407 | K | 36 | Very low | 32.7 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -61.5 | 96.9 | 175.9 | -76.6 | -168.8 | 175.9 | 74.8 | 0 | 112.8 | D405 K409 | D405-K407 VanDerWaalsContact C-N 3.27Å; D405-K407 PolarHBondContact O-N 2.89Å; D405-K407 IonicContact OD1-NZ 3.57Å; D405-K407 IonicContact OD2-NZ 2.71Å; D405-K407 PolarHBondContact OD2-NZ 3.04Å; K407-K409 PolarHBondContact O-N 3.49Å | ||
| 408 | K | 30.9 | Very low | 33 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -62.4 | 115.8 | 162.2 | -75.5 | -179.7 | 175.7 | 176.1 | 0 | 110.3 | R406 | R406-K408 PolarHBondContact O-N 3.47Š| ||
| 409 | K | 37.4 | Very low | 33.2 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -124.2 | 118.6 | 156.9 | -84 | -170.1 | 174.2 | -177.2 | 0 | 109.1 | K407 | K407-K409 PolarHBondContact O-N 3.49Š| ||
| 410 | N | 30.3 | Very low | 33.5 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -75.8 | 133 | 169.2 | -58.7 | -18 | 0 | 0 | 0 | 108.8 | ||||
| 411 | L | 36.2 | Very low | 33.6 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -158.1 | 145.7 | 152.9 | -108 | 152.3 | 0 | 0 | 0 | 108.5 | ||||
| 412 | T | 30.2 | Very low | 34 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -127 | 134.3 | -161.8 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 413 | G | 35.2 | Very low | 33.7 | Very low | 70 Ų | 70 | 152.7 Ų | 152.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 140.4 | 97.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 414 | K | 32.6 | Very low | 33.9 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 84.7 | 132.7 | 67.4 | -93.5 | -159.5 | 167.1 | -166.9 | 0 | 113.1 | |||||
| 415 | D | 38.1 | Very low | 33.8 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | trans | 66.9 | 137.1 | 161.9 | -57.5 | -50.5 | 0 | 0 | 0 | 116.7 | ||||
| 416 | K | 36.4 | Very low | 33.6 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 74% | 0.735 | 77% | 0.774 | S | S | * | * | cis | -168.6 | 157.1 | -20 | -125.1 | 173.3 | -173.6 | -177.9 | 0 | 109.7 | ||||
| 417 | L | 32.8 | Very low | 33.6 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 71% | 0.707 | 77% | 0.772 | S | S | * | * | trans | 28 | 125.4 | 142.9 | -71.1 | 167.3 | 0 | 0 | 0 | 118.6 | ||||
| 418 | N | 36.1 | Very low | 33.2 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | -167.5 | 172.9 | 61.4 | -107.7 | -3.6 | 0 | 0 | 0 | 113.4 | |||||
| 419 | E | 34 | Very low | 33.3 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -65.3 | 164.3 | 160.2 | -67.8 | 138.5 | 131.5 | 0 | 0 | 111.2 | ||||
| 420 | D | 36.5 | Very low | 33 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | -168.4 | 154.6 | 54.7 | -120 | -52.8 | 0 | 0 | 0 | 114 | |||||
| 421 | T | 33 | Very low | 32.9 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | 20.1 | 129 | 131.4 | -45.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 422 | E | 35.2 | Very low | 32.5 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | -172.5 | 157.9 | 58 | -157.7 | 158.8 | -150 | 0 | 0 | 116.3 | |||||
| 423 | R | 28.5 | Very low | 32.6 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 15.9 | 137.2 | 158.9 | -63.4 | 168 | -132.5 | -114.1 | 0.7 | 122.5 | ||||
| 424 | G | 33.4 | Very low | 32.3 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -172.9 | 53.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 425 | V | 32.2 | Very low | 32.4 | Very low | 128 Ų | 128 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 38 | 109 | 143.2 | -178.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 426 | E | 27.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 56 | 119.6 | 125.1 | -157.5 | 170.3 | -124.5 | 0 | 0 | 122.2 | |||||
| 427 | M | 33.4 | Very low | 31.5 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | -177.5 | 158.2 | 110.9 | -92.4 | -164.7 | 86.3 | 0 | 0 | 111.8 | |||||
| 428 | D | 28.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 158.7 | -164.8 | -53.6 | -87.9 | 0 | 0 | 0 | 117.2 | ||||
| 429 | S | 32.1 | Very low | 30.9 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 179.8 | 150.6 | 107.7 | 46.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 430 | F | 31.7 | Very low | 30.6 | Very low | 210 Ų | 210 | 139.3 Ų | 139.3 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | 55 | 108.2 | 168.5 | -71.4 | -73.2 | 0 | 0 | 0 | 120.3 | ||||
| 431 | A | 27.2 | Very low | 30.1 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -101.5 | 154.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 432 | A | 28.6 | Very low | 30 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -156.3 | 92.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 433 | I | 30.9 | Very low | 29.6 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 82% | 0.821 | 83% | 0.831 | S | S | * | * | trans | 45.8 | 113.7 | 142.2 | -52.2 | 168.1 | 0 | 0 | 0 | 118.1 | ||||
| 434 | K | 29.8 | Very low | 29.6 | Very low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 83% | 0.832 | S | S | * | * | trans | -115.6 | 144.6 | 146.9 | -72.5 | -175.8 | 177.8 | -179.6 | 0 | 108.6 | ||||
| 435 | P | 34.3 | Very low | 29.5 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -68.8 | 142.8 | -178.3 | -18.4 | 32.1 | 0 | 0 | 0 | 112.8 | ||||
| 436 | G | 26.8 | Very low | 29.3 | Very low | 65 Ų | 65 | 153.9 Ų | 153.9 | 67% | 0.67 | 85% | 0.846 | S | S | * | * | trans | -165 | 87.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 437 | H | 28.3 | Very low | 29.4 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 89% | 0.889 | 84% | 0.842 | S | S | * | * | trans | -141 | 56.4 | -178.6 | -80.5 | 136.7 | 0 | 0 | 0 | 113.2 | ||||
| 438 | V | 29.7 | Very low | 29.3 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 93% | 0.927 | 84% | 0.843 | S | S | * | * | trans | -139.2 | 64.5 | 164.2 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 439 | A | 27.5 | Very low | 29.6 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 85% | 0.851 | 85% | 0.85 | S | S | * | * | trans | -155.6 | 34.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 440 | S | 27 | Very low | 29.8 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | -152.3 | 69.4 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 441 | L | 27.3 | Very low | 29.9 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 89% | 0.885 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -154.1 | 40.2 | 164.5 | -117.6 | 172.4 | 0 | 0 | 0 | 113.8 | ||
| 442 | T | 29.4 | Very low | 30.2 | Very low | 142 Ų | 142 | 148 Ų | 148 | 87% | 0.871 | 84% | 0.839 | S | S | * | * | trans | -148.6 | 50.6 | 177.4 | -34.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 443 | K | 28.4 | Very low | 30.5 | Very low | 209 Ų | 209 | 149.3 Ų | 149.3 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -146 | 55 | 175.3 | -78.3 | -162.1 | 173.7 | -176.4 | 0 | 113.8 | ||||
| 444 | Q | 28.7 | Very low | 30.7 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -151.5 | 23.8 | 172.7 | -139.2 | 169.6 | -0.8 | 0 | 0 | 117.4 | ||
| 445 | F | 30 | Very low | 30.7 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -137.9 | 32.2 | 173.4 | -94 | -71.6 | 0 | 0 | 0 | 114 | ||
| 446 | E | 28.3 | Very low | 30.6 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -127.9 | 64.6 | 179.7 | -163.1 | 168.4 | -136.7 | 0 | 0 | 111.5 | ||||
| 447 | S | 29.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | trans | -154.4 | 78.6 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 448 | N | 32.2 | Very low | 30.8 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | 178 | 103.1 | 148.5 | -94.1 | -34.8 | 0 | 0 | 0 | 111.7 | ||||
| 449 | L | 34.6 | Very low | 30.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | 154.4 | 153.2 | 140.1 | -80.2 | 166.9 | 0 | 0 | 0 | 111.1 | ||||
| 450 | P | 35.9 | Very low | 30.8 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -100.7 | 164.4 | -145 | 37.9 | -38 | 0 | 0 | 0 | 116.8 | ||||
| 451 | P | 33.1 | Very low | 31 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -102.8 | 138.5 | -169.1 | 37.1 | -33.8 | 0 | 0 | 0 | 117.2 | ||||
| 452 | S | 33.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | 68.8 | 158.5 | 156.5 | 84.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 453 | P | 35.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | -132.3 | 174.5 | 62.7 | 37.7 | -21.4 | 0 | 0 | 0 | 115.3 | |||||
| 454 | P | 33.9 | Very low | 31.5 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -101.2 | 151.7 | -168.9 | 37.4 | -35 | 0 | 0 | 0 | 117.1 | ||||
| 455 | T | 30.5 | Very low | 31.6 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | 55.7 | 115.4 | 152.3 | 54.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 456 | K | 31.6 | Very low | 31.6 | Very low | 184 Ų | 184 | 138 Ų | 138 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | -171.5 | 161.3 | 100.3 | -100.2 | 177.4 | -177.5 | -173.9 | 0 | 113.8 | |||||
| 457 | E | 28.8 | Very low | 31.9 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -6.5 | 130.7 | 163.3 | -59.8 | 153.2 | 118.3 | 0 | 0 | 116.8 | ||||
| 458 | A | 30.8 | Very low | 31.9 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | -173 | 168.8 | 62.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 459 | A | 29.1 | Very low | 31.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -38.9 | 151 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 460 | S | 28.4 | Very low | 31.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 174.8 | 171.1 | 53.9 | -164.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 461 | V | 30.3 | Very low | 31.3 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 74.9 | 133.9 | 162 | -147.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 462 | L | 33.9 | Very low | 31.3 | Very low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 61.6 | 143.3 | 178.1 | -96.2 | 70.3 | 0 | 0 | 0 | 116.3 | ||||
| 463 | G | 28 | Very low | 31.1 | Very low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 174.7 | 150.7 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 464 | Y | 34 | Very low | 31.1 | Very low | 227 Ų | 227 | 137.8 Ų | 137.8 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | 72.3 | 82.9 | 173 | -67.8 | -78.4 | 0 | 0 | 0 | 120.6 | ||||
| 465 | V | 31.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | 41.6 | 113.5 | 126.1 | -173.2 | 0 | 0 | 0 | 0 | 119.3 | L467 | V465-L467 HydrophobicContact CG1-CG 4.44Š| |||
| 466 | K | 30.2 | Very low | 31.1 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -122.2 | 121.1 | 155.4 | -179.2 | 175.5 | -177.2 | 173 | 0 | 108.3 | ||||
| 467 | L | 33.6 | Very low | 31 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 128.8 | -178.5 | -74.6 | 172 | 0 | 0 | 0 | 111.4 | V465 | V465-L467 HydrophobicContact CG1-CG 4.44Š|
| 468 | P | 31 | Very low | 31.4 | Very low | 94 Ų | 94 | 142 Ų | 142 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 142.5 | -179.6 | 36 | -32.7 | 0 | 0 | 0 | 113.2 | I470 | P468-I470 HydrophobicContact CB-CD1 4.45Å; P468-I470 HydrophobicContact CB-CG1 4.21Å; P468-I470 HydrophobicContact CG-CD1 4.08Å; P468-I470 HydrophobicContact CG-CG1 4.24Å; P468-I470 PolarHBondContact O-N 3.08Å |
| 469 | I | 27.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 144 Ų | 144 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117.8 | 164.1 | -62.2 | 167.9 | 0 | 0 | 0 | 107.9 | ||
| 470 | I | 33.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 68% | 0.677 | 80% | 0.795 | S | S | * | * | trans | -127.5 | 99.5 | 174 | -56.2 | -178.3 | 0 | 0 | 0 | 110.3 | P468 | P468-I470 HydrophobicContact CB-CD1 4.45Å; P468-I470 HydrophobicContact CB-CG1 4.21Å; P468-I470 HydrophobicContact CG-CD1 4.08Å; P468-I470 HydrophobicContact CG-CG1 4.24Å; P468-I470 PolarHBondContact O-N 3.08Å | ||
| 471 | S | 27.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -90.6 | 120.1 | 159 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 472 | N | 32.6 | Very low | 32.1 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -154.1 | 137.2 | 163.9 | -99.4 | -43.7 | 0 | 0 | 0 | 111.6 | ||||
| 473 | L | 30.8 | Very low | 32.2 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -138.6 | 113.8 | -179.4 | -178.6 | 83.9 | 0 | 0 | 0 | 109.4 | ||||
| 474 | P | 36 | Very low | 32.4 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -82.6 | 125.5 | 170.9 | 31.8 | -30.4 | 0 | 0 | 0 | 110.4 | ||||
| 475 | R | 29.1 | Very low | 32.4 | Very low | 208 Ų | 208 | 152.7 Ų | 152.7 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -82.7 | 145.4 | 158.8 | -72.8 | -174.6 | 179.3 | -175.9 | 0.7 | 109.2 | ||||
| 476 | N | 35 | Very low | 32.4 | Very low | 169 Ų | 169 | 158.6 Ų | 158.6 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -146 | 138.4 | 147.6 | -130.7 | -10.6 | 0 | 0 | 0 | 109.5 | ||||
| 477 | E | 28.8 | Very low | 32.5 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | trans | -109 | 134.7 | -175.7 | -64.2 | 179.5 | 172.3 | 0 | 0 | 110.1 | ||||
| 478 | T | 36.7 | Very low | 32.5 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | -150.6 | 155.1 | 153.4 | -32.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 479 | T | 32.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 159.6 Ų | 159.6 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -104.5 | 149 | -157.4 | 52.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 480 | G | 33.4 | Very low | 33 | Very low | 80 Ų | 80 | 158.2 Ų | 158.2 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -166.6 | 101.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 481 | R | 31.4 | Very low | 33.2 | Very low | 245 Ų | 245 | 157.3 Ų | 157.3 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 138 | 175.4 | -75.8 | 178.3 | 166.7 | -173 | -3.1 | 111.7 | ||||
| 482 | K | 36.7 | Very low | 33.7 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | -176.3 | 103.5 | 126.1 | -101 | 160.3 | -174 | 178 | 0 | 114.9 | |||||
| 483 | S | 36 | Very low | 34 | Very low | 119 Ų | 119 | 157.7 Ų | 157.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 61.1 | 147.9 | 144.3 | -54.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 484 | P | 32.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -110 | 161.3 | -165.1 | 41 | -33.9 | 0 | 0 | 0 | 116.1 | ||||
| 485 | K | 33.9 | Very low | 35.2 | Very low | 207 Ų | 207 | 152 Ų | 152 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | trans | -137.3 | 143 | 158.2 | -75 | -174.1 | 176.6 | 179 | 0 | 110 | ||||
| 486 | R | 31.8 | Very low | 35.9 | Very low | 247 Ų | 247 | 145.2 Ų | 145.2 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | -91 | 145.7 | -178 | -49.5 | 178.1 | -164.5 | 161.9 | 3.5 | 111.7 | ||||
| 487 | P | 32.2 | Very low | 36.8 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | -120.6 | 138.5 | 123.4 | 2 | 19.5 | 0 | 0 | 0 | 109.8 | |||||
| 488 | M | 33.5 | Very low | 38.3 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 90% | 0.901 | 71% | 0.707 | S | S | * | * | 61.9 | 120.7 | 81.6 | -73.8 | -65.8 | -160.3 | 0 | 0 | 113.6 | |||||
| 489 | E | 36.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | trans | -95.3 | 134.6 | -172.9 | -64.5 | 162.7 | 115.4 | 0 | 0 | 112.4 | ||||
| 490 | D | 33.5 | Very low | 40.8 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | trans | -85.7 | 124 | 167.5 | -68 | -56.4 | 0 | 0 | 0 | 109.8 | ||||
| 491 | N | 37.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 125 Ų | 125 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | trans | -131.3 | 4.9 | -163.2 | -135.1 | -16.1 | 0 | 0 | 0 | 115.3 | ||||
| 492 | E | 38.2 | Very low | 44.1 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 48% | 0.477 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -95.8 | -35.9 | -174.4 | -64.6 | 177.7 | 169.5 | 0 | 0 | 112.6 | P494 V495 L892 | E492-P494 VanDerWaalsContact C-CD 3.49Å; E492-V495 WeakPolarHBondContact O-CB 3.31Å; E492-V495 WeakPolarHBondContact O-CG2 3.46Å; E492-V495 PolarHBondContact O-N 2.96Å; E492-L892 PolarHBondContact OE2-N 3.2Å; E492-L892 VanDerWaalsContact OE2-N 3.16Å |
| 493 | Q | 37.5 | Very low | 45.3 | Very low | 168 Ų | 168 | 113.7 Ų | 113.7 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.8 | -31.4 | -176.7 | -158 | 162.8 | -3.7 | 0 | 0 | 116.7 | V495 | Q493-V495 PolarHBondContact O-N 3.08Å |
| 494 | P | 46.9 | Very low | 46.4 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -75.2 | -11.2 | 176 | 30.8 | -35 | 0 | 0 | 0 | 113.2 | E492 G498 | E492-P494 VanDerWaalsContact C-CD 3.49Å; P494-G498 WeakPolarHBondContact O-CA 3.49Å; P494-G498 PolarHBondContact O-N 3.43Å |
| 495 | V | 45.4 | Very low | 48 | Very low | 75 Ų | 75 | 105.8 Ų | 105.8 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.5 | -52.1 | -172 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | E492 Q493 G498 I499 | E492-V495 WeakPolarHBondContact O-CB 3.31Å; E492-V495 WeakPolarHBondContact O-CG2 3.46Å; E492-V495 PolarHBondContact O-N 2.96Å; Q493-V495 PolarHBondContact O-N 3.08Å; V495-G498 CarbonylContact O-C 3.58Å; V495-G498 PolarHBondContact O-N 2.93Å; V495-I499 HydrophobicContact CG1-CD1 3.86Å; V495-I499 VanDerWaalsContact O-CG1 3.31Å; V495-I499 WeakPolarHBondContact O-CG1 3.33Å; V495-I499 PolarHBondContact O-N 3.21Å |
| 496 | C | 43.3 | Very low | 49.5 | Very low | 64 Ų | 64 | 99.6 Ų | 99.6 | 43% | 0.432 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | -178 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | G498 I499 V500 F744 | C496-G498 VanDerWaalsContact C-N 3.28Å; C496-G498 PolarHBondContact O-N 2.98Å; C496-I499 PolarHBondContact O-N 3.27Å; C496-I499 VanDerWaalsContact O-N 3.14Å; C496-V500 PolarHBondContact O-N 3.4Å; C496-F744 HydrophobicContact CB-CE2 3.95Å; C496-F744 HydrophobicContact CB-CZ 4.03Å |
| 497 | A | 56 | Low | 50.9 | Low | 27 Ų | 27 | 89.7 Ų | 89.7 | 22% | 0.223 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K501 F744 | A497-K501 VanDerWaalsContact O-CB 3.31Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 WeakPolarHBondContact O-CG 3.35Å; A497-K501 PolarHBondContact O-N 3.26Å; A497-F744 HydrophobicContact CB-CE1 4.38Å; A497-F744 HydrophobicContact CB-CZ 4.15Å |
| 498 | G | 60.2 | Low | 52.1 | Low | 28 Ų | 28 | 89.6 Ų | 89.6 | 29% | 0.289 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.9 | -32.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P494 V495 C496 K502 | P494-G498 WeakPolarHBondContact O-CA 3.49Å; P494-G498 PolarHBondContact O-N 3.43Å; V495-G498 CarbonylContact O-C 3.58Å; V495-G498 PolarHBondContact O-N 2.93Å; C496-G498 VanDerWaalsContact C-N 3.28Å; C496-G498 PolarHBondContact O-N 2.98Å; G498-K502 WeakPolarHBondContact O-CB 3.48Å; G498-K502 WeakPolarHBondContact O-CD 3.29Å; G498-K502 WeakPolarHBondContact O-CG 3.47Å; G498-K502 PolarHBondContact O-N 3.06Å; G498-K502 VanDerWaalsContact O-N 3.16Å |
| 499 | I | 63.7 | Low | 53.6 | Low | 83 Ų | 83 | 84.7 Ų | 84.7 | 43% | 0.426 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.2 | -53.1 | 172.5 | -71.9 | 164.4 | 0 | 0 | 0 | 109.8 | V495 C496 K501 K502 L503 | V495-I499 HydrophobicContact CG1-CD1 3.86Å; V495-I499 VanDerWaalsContact O-CG1 3.31Å; V495-I499 WeakPolarHBondContact O-CG1 3.33Å; V495-I499 PolarHBondContact O-N 3.21Å; C496-I499 PolarHBondContact O-N 3.27Å; C496-I499 VanDerWaalsContact O-N 3.14Å; I499-K501 PolarHBondContact O-N 3.49Å; I499-K502 WeakPolarHBondContact O-CB 3.08Å; I499-K502 PolarHBondContact O-N 3.35Å; I499-K502 VanDerWaalsContact O-N 3.13Å; I499-L503 HydrophobicContact CG2-CD1 3.92Å; I499-L503 HydrophobicContact CG2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CG 3.06Å; I499-L503 PolarHBondContact O-N 3.22Å |
| 500 | V | 56.2 | Low | 54.7 | Low | 13 Ų | 13 | 76.7 Ų | 76.7 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | -177.2 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | C496 K502 L503 C504 E749 | C496-V500 PolarHBondContact O-N 3.4Å; V500-K502 VanDerWaalsContact C-N 3.33Å; V500-K502 PolarHBondContact O-N 3.37Å; V500-L503 CarbonylContact O-C 3.57Å; V500-L503 WeakPolarHBondContact O-CA 3.34Å; V500-L503 WeakPolarHBondContact O-CB 3.46Å; V500-L503 PolarHBondContact O-N 2.95Å; V500-C504 PolarHBondContact O-N 3.13Å; V500-C504 PolarHBondContact O-SG 2.81Å; V500-E749 HydrophobicContact CG1-CB 3.86Å; V500-E749 HydrophobicContact CG1-CG 4.31Å |
| 501 | K | 65.9 | Low | 55.7 | Low | 119 Ų | 119 | 73 Ų | 73 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.2 | -31.5 | 175.3 | -73.4 | 173.3 | 177.2 | 161.2 | 0 | 113.7 | A497 I499 A505 E749 | A497-K501 VanDerWaalsContact O-CB 3.31Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 WeakPolarHBondContact O-CG 3.35Å; A497-K501 PolarHBondContact O-N 3.26Å; I499-K501 PolarHBondContact O-N 3.49Å; K501-A505 WeakPolarHBondContact O-CB 3.38Å; K501-A505 PolarHBondContact O-N 2.9Å; K501-A505 VanDerWaalsContact O-N 3.08Å; K501-E749 WeakPolarHBondContact CE-OE1 3.31Å; K501-E749 IonicContact NZ-OE1 3.63Å; K501-E749 PolarHBondContact NZ-OE1 3Å |
| 502 | K | 69.7 | Low | 56.2 | Low | 156 Ų | 156 | 75.4 Ų | 75.4 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69 | -36.8 | 169.2 | -78.2 | 172.3 | -177.4 | -178.6 | 0 | 112.1 | G498 I499 V500 K506 | G498-K502 WeakPolarHBondContact O-CB 3.48Å; G498-K502 WeakPolarHBondContact O-CD 3.29Å; G498-K502 WeakPolarHBondContact O-CG 3.47Å; G498-K502 PolarHBondContact O-N 3.06Å; G498-K502 VanDerWaalsContact O-N 3.16Å; I499-K502 WeakPolarHBondContact O-CB 3.08Å; I499-K502 PolarHBondContact O-N 3.35Å; I499-K502 VanDerWaalsContact O-N 3.13Å; V500-K502 VanDerWaalsContact C-N 3.33Å; V500-K502 PolarHBondContact O-N 3.37Å; K502-K506 WeakPolarHBondContact O-CB 3.26Å; K502-K506 WeakPolarHBondContact O-CG 3.47Å; K502-K506 PolarHBondContact O-N 3.22Å |
| 503 | L | 61.7 | Low | 57.1 | Low | 48 Ų | 48 | 74.4 Ų | 74.4 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.6 | -48.5 | 175.1 | -70.7 | 170 | 0 | 0 | 0 | 110.8 | I499 V500 A505 K506 W507 F517 | I499-L503 HydrophobicContact CG2-CD1 3.92Å; I499-L503 HydrophobicContact CG2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CG 3.06Å; I499-L503 PolarHBondContact O-N 3.22Å; V500-L503 CarbonylContact O-C 3.57Å; V500-L503 WeakPolarHBondContact O-CA 3.34Å; V500-L503 WeakPolarHBondContact O-CB 3.46Å; V500-L503 PolarHBondContact O-N 2.95Å; L503-A505 VanDerWaalsContact C-N 3.33Å; L503-A505 PolarHBondContact O-N 3.12Å; L503-K506 PolarHBondContact O-N 3.5Å; L503-W507 VanDerWaalsContact O-CB 3.26Å; L503-W507 WeakPolarHBondContact O-CB 3.46Å; L503-W507 PolarHBondContact O-N 2.84Å; L503-F517 HydrophobicContact CD2-CE1 4.5Å; L503-F517 HydrophobicContact CD2-CZ 4.2Å |
| 504 | C | 58.5 | Low | 57.6 | Low | 26 Ų | 26 | 69.1 Ų | 69.1 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | V500 W507 Q508 | V500-C504 PolarHBondContact O-N 3.13Å; V500-C504 PolarHBondContact O-SG 2.81Å; C504-W507 PolarHBondContact O-N 2.74Å; C504-Q508 WeakPolarHBondContact O-CB 3.48Å; C504-Q508 WeakPolarHBondContact O-CG 3.49Å; C504-Q508 PolarHBondContact O-N 3.35Å |
| 505 | A | 65.7 | Low | 57.5 | Low | 48 Ų | 48 | 72 Ų | 72 | 40% | 0.397 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K501 L503 W507 T509 | K501-A505 WeakPolarHBondContact O-CB 3.38Å; K501-A505 PolarHBondContact O-N 2.9Å; K501-A505 VanDerWaalsContact O-N 3.08Å; L503-A505 VanDerWaalsContact C-N 3.33Å; L503-A505 PolarHBondContact O-N 3.12Å; A505-W507 VanDerWaalsContact C-N 3.32Å; A505-T509 PolarHBondContact O-N 3.11Å; A505-T509 VanDerWaalsContact O-N 3.08Å; A505-T509 PolarHBondContact O-OG1 3.16Å |
| 506 | K | 65.6 | Low | 57.2 | Low | 78 Ų | 78 | 71 Ų | 71 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 171.8 | -85.1 | -165.4 | 169.4 | -164 | 0 | 111.4 | K502 L503 T509 A510 A518 | K502-K506 WeakPolarHBondContact O-CB 3.26Å; K502-K506 WeakPolarHBondContact O-CG 3.47Å; K502-K506 PolarHBondContact O-N 3.22Å; L503-K506 PolarHBondContact O-N 3.5Å; K506-T509 WeakPolarHBondContact O-CB 3.42Å; K506-T509 PolarHBondContact O-N 3.43Å; K506-A510 WeakPolarHBondContact O-CB 3.19Å; K506-A510 PolarHBondContact O-N 3.12Å; K506-A518 PolarHBondContact NZ-O 3.24Å |
| 507 | W | 61.2 | Low | 57.7 | Low | 39 Ų | 39 | 70 Ų | 70 | 15% | 0.148 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.3 | -44.2 | -178.8 | -169.2 | 80.3 | 0 | 0 | 0 | 111.9 | L503 C504 A505 T509 A510 D511 A756 L759 | L503-W507 VanDerWaalsContact O-CB 3.26Å; L503-W507 WeakPolarHBondContact O-CB 3.46Å; L503-W507 PolarHBondContact O-N 2.84Å; C504-W507 PolarHBondContact O-N 2.74Å; A505-W507 VanDerWaalsContact C-N 3.32Å; W507-T509 PolarHBondContact O-N 2.7Å; W507-A510 PolarHBondContact O-N 2.94Å; W507-D511 WeakPolarHBondContact O-CB 3.36Å; W507-D511 PolarHBondContact O-N 3.15Å; W507-A756 HydrophobicContact CD2-CB 3.85Å; W507-A756 HydrophobicContact CE3-CB 4.02Å; W507-A756 HydrophobicContact CH2-CB 3.89Å; W507-A756 HydrophobicContact CZ2-CB 3.67Å; W507-A756 HydrophobicContact CZ3-CB 4.04Å; W507-L759 HydrophobicContact CH2-CB 4.13Å; W507-L759 HydrophobicContact CH2-CD1 3.85Å; W507-L759 HydrophobicContact CZ2-CB 4.39Å |
| 508 | Q | 58.6 | Low | 57.1 | Low | 115 Ų | 115 | 72.4 Ų | 72.4 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.1 | -33.2 | 169 | -74.6 | 176.7 | -8.2 | 0 | 0 | 112.6 | C504 Q512 | C504-Q508 WeakPolarHBondContact O-CB 3.48Å; C504-Q508 WeakPolarHBondContact O-CG 3.49Å; C504-Q508 PolarHBondContact O-N 3.35Å; Q508-Q512 VanDerWaalsContact O-CG 3.28Å; Q508-Q512 WeakPolarHBondContact O-CG 3.44Å; Q508-Q512 PolarHBondContact O-N 3.02Å |
| 509 | T | 64.1 | Low | 56.1 | Low | 79 Ų | 79 | 74.8 Ų | 74.8 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.9 | -46.4 | 174.6 | -50.7 | 0 | 0 | 0 | 0 | 111 | A505 K506 W507 D511 Q512 T513 | A505-T509 PolarHBondContact O-N 3.11Å; A505-T509 VanDerWaalsContact O-N 3.08Å; A505-T509 PolarHBondContact O-OG1 3.16Å; K506-T509 WeakPolarHBondContact O-CB 3.42Å; K506-T509 PolarHBondContact O-N 3.43Å; W507-T509 PolarHBondContact O-N 2.7Å; T509-D511 PolarHBondContact O-N 3.2Å; T509-Q512 PolarHBondContact O-N 3.47Å; T509-Q512 VanDerWaalsContact O-N 3.17Å; T509-T513 HydrophobicContact CG2-CG2 4.28Å; T509-T513 WeakPolarHBondContact O-CG2 3.44Å; T509-T513 PolarHBondContact O-N 2.97Å; T509-T513 PolarHBondContact O-OG1 3.31Å; T509-T513 VanDerWaalsContact O-OG1 3.1Å |
| 510 | A | 58.6 | Low | 54.7 | Low | 6 Ų | 6 | 77.5 Ų | 77.5 | 5% | 0.05 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K506 W507 Q512 T513 G514 Q515 | K506-A510 WeakPolarHBondContact O-CB 3.19Å; K506-A510 PolarHBondContact O-N 3.12Å; W507-A510 PolarHBondContact O-N 2.94Å; A510-Q512 VanDerWaalsContact C-N 3.27Å; A510-Q512 PolarHBondContact O-N 2.74Å; A510-T513 PolarHBondContact O-N 3.29Å; A510-G514 WeakPolarHBondContact O-CA 3.35Å; A510-G514 PolarHBondContact O-N 3.4Å; A510-Q515 WeakPolarHBondContact CB-O 3.39Å |
| 511 | D | 54.5 | Low | 53.5 | Low | 65 Ų | 65 | 86.6 Ų | 86.6 | 35% | 0.348 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | 175.6 | -162.3 | 56.1 | 0 | 0 | 0 | 112.3 | W507 T509 K763 | W507-D511 WeakPolarHBondContact O-CB 3.36Å; W507-D511 PolarHBondContact O-N 3.15Å; T509-D511 PolarHBondContact O-N 3.2Å; D511-K763 IonicContact OD1-NZ 3.49Å; D511-K763 PolarHBondContact OD1-NZ 2.73Å; D511-K763 IonicContact OD2-NZ 3.4Å |
| 512 | Q | 48.2 | Very low | 51.9 | Low | 165 Ų | 165 | 85.9 Ų | 85.9 | 77% | 0.771 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -84.5 | -25.6 | 175.2 | -71.3 | 174.2 | 20.9 | 0 | 0 | 114.1 | Q508 T509 A510 | Q508-Q512 VanDerWaalsContact O-CG 3.28Å; Q508-Q512 WeakPolarHBondContact O-CG 3.44Å; Q508-Q512 PolarHBondContact O-N 3.02Å; T509-Q512 PolarHBondContact O-N 3.47Å; T509-Q512 VanDerWaalsContact O-N 3.17Å; A510-Q512 VanDerWaalsContact C-N 3.27Å; A510-Q512 PolarHBondContact O-N 2.74Å |
| 513 | T | 57.3 | Low | 50.1 | Low | 82 Ų | 82 | 85.3 Ų | 85.3 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -103.9 | -13 | -177.2 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | T509 A510 Q515 | T509-T513 HydrophobicContact CG2-CG2 4.28Å; T509-T513 WeakPolarHBondContact O-CG2 3.44Å; T509-T513 PolarHBondContact O-N 2.97Å; T509-T513 PolarHBondContact O-OG1 3.31Å; T509-T513 VanDerWaalsContact O-OG1 3.1Å; A510-T513 PolarHBondContact O-N 3.29Å; T513-Q515 PolarHBondContact O-N 3.35Å |
| 514 | G | 49.4 | Very low | 48.7 | Very low | 57 Ų | 57 | 87.4 Ų | 87.4 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | trans | 68.7 | 6.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A510 | A510-G514 WeakPolarHBondContact O-CA 3.35Å; A510-G514 PolarHBondContact O-N 3.4Å | ||
| 515 | Q | 44.9 | Very low | 47.6 | Very low | 140 Ų | 140 | 91.9 Ų | 91.9 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -100.6 | 131 | -174.9 | -68.7 | -167.2 | -26.5 | 0 | 0 | 112.6 | A510 T513 | A510-Q515 WeakPolarHBondContact CB-O 3.39Å; T513-Q515 PolarHBondContact O-N 3.35Å |
| 516 | P | 38.2 | Very low | 46 | Very low | 52 Ų | 52 | 97.2 Ų | 97.2 | 34% | 0.338 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 141.2 | 174.1 | 29.4 | -34.9 | 0 | 0 | 0 | 110.6 | V723 | P516-V723 HydrophobicContact CB-CG1 4.21Å; P516-V723 HydrophobicContact CB-CG2 4.14Å; P516-V723 HydrophobicContact CG-CG2 3.9Å |
| 517 | F | 54.3 | Low | 44.7 | Very low | 45 Ų | 45 | 99 Ų | 99 | 20% | 0.197 | 57% | 0.572 | C | S | . | * | P | Polyproline II helix | trans | -77 | 141.3 | 179.7 | 70.2 | -120.2 | 0 | 0 | 0 | 113.1 | L503 L519 Q730 | L503-F517 HydrophobicContact CD2-CE1 4.5Å; L503-F517 HydrophobicContact CD2-CZ 4.2Å; F517-L519 HydrophobicContact CD2-CB 4.26Å; F517-L519 HydrophobicContact CD2-CD1 4.2Å; F517-L519 HydrophobicContact CE2-CB 4.07Å; F517-L519 HydrophobicContact CE2-CD1 3.68Å; F517-L519 HydrophobicContact CE2-CG 4.37Å; F517-L519 HydrophobicContact CZ-CD1 4.39Å; F517-Q730 HydrophobicContact CE1-CG 4.09Å; F517-Q730 HydrophobicContact CE2-CG 4.35Å; F517-Q730 VanDerWaalsContact CE2-NE2 3.34Å; F517-Q730 HydrophobicContact CZ-CB 4.31Å; F517-Q730 HydrophobicContact CZ-CG 3.63Å |
| 518 | A | 42.1 | Very low | 43.6 | Very low | 77 Ų | 77 | 103.2 Ų | 103.2 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 144.3 | 156 | 0 | 0 | 0 | 0 | 0 | 110.1 | K506 | K506-A518 PolarHBondContact NZ-O 3.24Š|
| 519 | L | 39.6 | Very low | 42.4 | Very low | 78 Ų | 78 | 104 Ų | 104 | 41% | 0.408 | 62% | 0.618 | S | S | . | * | trans | -114.4 | 110 | 178.6 | -160.5 | 77.9 | 0 | 0 | 0 | 111.9 | F517 Y521 | F517-L519 HydrophobicContact CD2-CB 4.26Å; F517-L519 HydrophobicContact CD2-CD1 4.2Å; F517-L519 HydrophobicContact CE2-CB 4.07Å; F517-L519 HydrophobicContact CE2-CD1 3.68Å; F517-L519 HydrophobicContact CE2-CG 4.37Å; F517-L519 HydrophobicContact CZ-CD1 4.39Å; L519-Y521 HydrophobicContact CB-CE2 4.37Å; L519-Y521 HydrophobicContact CD2-CD2 4.34Å; L519-Y521 HydrophobicContact CD2-CE1 4.02Å; L519-Y521 HydrophobicContact CD2-CE2 3.75Å; L519-Y521 HydrophobicContact CG-CE2 4.45Å; L519-Y521 PolarHBondContact O-N 3Å | ||
| 520 | D | 34.4 | Very low | 41 | Very low | 140 Ų | 140 | 105.7 Ų | 105.7 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | trans | -71.2 | 85.4 | 179.1 | -51.5 | -70.8 | 0 | 0 | 0 | 112.2 | S522 | D520-S522 PolarHBondContact O-N 2.89Å; D520-S522 VanDerWaalsContact O-N 3.1Å | ||
| 521 | Y | 31.1 | Very low | 39.9 | Very low | 203 Ų | 203 | 111.2 Ų | 111.2 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | trans | -75.8 | 87.8 | 170.6 | -73.7 | -76.7 | 0 | 0 | 0 | 111.4 | L519 | L519-Y521 HydrophobicContact CB-CE2 4.37Å; L519-Y521 HydrophobicContact CD2-CD2 4.34Å; L519-Y521 HydrophobicContact CD2-CE1 4.02Å; L519-Y521 HydrophobicContact CD2-CE2 3.75Å; L519-Y521 HydrophobicContact CG-CE2 4.45Å; L519-Y521 PolarHBondContact O-N 3Å | ||
| 522 | S | 32.3 | Very low | 38.8 | Very low | 104 Ų | 104 | 111.5 Ų | 111.5 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -150.7 | 94 | 167.8 | -166.4 | 0 | 0 | 0 | 0 | 114.6 | D520 | D520-S522 PolarHBondContact O-N 2.89Å; D520-S522 VanDerWaalsContact O-N 3.1Å | ||
| 523 | T | 31.3 | Very low | 38 | Very low | 144 Ų | 144 | 110.6 Ų | 110.6 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | trans | 174.9 | 100.9 | 132.9 | 24.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 524 | A | 32 | Very low | 36.8 | Very low | 93 Ų | 93 | 111.5 Ų | 111.5 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 169.2 | 84.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 525 | S | 35.3 | Very low | 36 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | 53.4 | 113.8 | 146.9 | 59.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 526 | D | 33 | Very low | 35.4 | Very low | 160 Ų | 160 | 118.8 Ų | 118.8 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 161.9 | 170.3 | -64.9 | -67.5 | 0 | 0 | 0 | 116 | ||
| 527 | P | 38.9 | Very low | 35 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 163.6 | 176.8 | 37 | -36.4 | 0 | 0 | 0 | 114.9 | ||
| 528 | P | 37 | Very low | 33.8 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 143.8 | 179.8 | 36 | -33.8 | 0 | 0 | 0 | 115.5 | ||
| 529 | T | 34.1 | Very low | 33.3 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 160 | 167.7 | -5.7 | 0 | 0 | 0 | 0 | 112 | ||
| 530 | P | 34.7 | Very low | 33.2 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -152.1 | -163.2 | 80.6 | 39.5 | -18.1 | 0 | 0 | 0 | 113.9 | |||||
| 531 | P | 35.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | -128.4 | 169.9 | -55.7 | 36 | -21.5 | 0 | 0 | 0 | 113.4 | |||||
| 532 | G | 31 | Very low | 33.2 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 136.2 | 142 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 533 | V | 32.5 | Very low | 33.2 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | 72.6 | 133.7 | 166.8 | -166.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 534 | S | 31.5 | Very low | 33.4 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -45.6 | 166.6 | 171.7 | -42.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 535 | Q | 32.6 | Very low | 33.7 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | cis | -154.4 | -164.8 | 24.2 | -148.7 | 153.2 | 0.7 | 0 | 0 | 113.5 | ||||
| 536 | M | 31.7 | Very low | 34.3 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -73 | 173.3 | -174.2 | -57.6 | 167.8 | -164.2 | 0 | 0 | 113.8 | ||||
| 537 | A | 29.7 | Very low | 35 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | cis | -175.1 | 151.5 | -38.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 538 | A | 29.8 | Very low | 35.5 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | 56.8 | 114.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 539 | S | 32.2 | Very low | 36.2 | Very low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | -139.2 | 168.3 | 129.1 | -162.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 540 | K | 37.9 | Very low | 37.2 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -99.2 | 158.8 | -164.4 | -64.7 | 173.7 | -176.4 | 170.9 | 0 | 112.8 | ||||
| 541 | Q | 31.5 | Very low | 38.3 | Very low | 197 Ų | 197 | 121.4 Ų | 121.4 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | trans | -61.4 | 134.3 | 167.1 | -69.2 | 172 | -48.2 | 0 | 0 | 110.2 | ||||
| 542 | S | 32.2 | Very low | 39.3 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | -115.9 | 127.8 | 166.2 | -59.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 543 | T | 33.3 | Very low | 40.3 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -86.6 | 117.2 | 169.2 | 46.8 | 0 | 0 | 0 | 0 | 108.5 | S545 | T543-S545 VanDerWaalsContact C-N 3.29Å; T543-S545 PolarHBondContact O-N 2.6Å | ||
| 544 | E | 36.4 | Very low | 41.2 | Very low | 190 Ų | 190 | 119.5 Ų | 119.5 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -73.9 | 81.1 | 177.9 | -69 | 175.6 | 158.6 | 0 | 0 | 110.9 | L546 | E544-L546 PolarHBondContact O-N 2.73Š| ||
| 545 | S | 38.3 | Very low | 42.1 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | trans | -76.9 | 99.1 | 157.5 | 56.1 | 0 | 0 | 0 | 0 | 108 | T543 S547 | T543-S545 VanDerWaalsContact C-N 3.29Å; T543-S545 PolarHBondContact O-N 2.6Å; S545-S547 PolarHBondContact O-N 3.44Å | ||
| 546 | L | 47.3 | Very low | 42.4 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 58% | 0.581 | 63% | 0.63 | S | S | * | * | trans | -49.7 | 122.9 | 168.9 | -74.2 | 168.8 | 0 | 0 | 0 | 108.9 | E544 D550 | E544-L546 PolarHBondContact O-N 2.73Å; L546-D550 HydrophobicContact CD2-CB 4.27Å | ||
| 547 | S | 47.2 | Very low | 42.7 | Very low | 47 Ų | 47 | 110.4 Ų | 110.4 | 33% | 0.329 | 62% | 0.618 | S | S | . | * | trans | -77.9 | 161.1 | 179.1 | 79.5 | 0 | 0 | 0 | 0 | 110.6 | S545 K549 D550 | S545-S547 PolarHBondContact O-N 3.44Å; S547-K549 PolarHBondContact O-N 2.94Å; S547-K549 VanDerWaalsContact O-N 3.11Å; S547-K549 PolarHBondContact OG-N 3.36Å; S547-D550 WeakPolarHBondContact CA-OD2 3.1Å; S547-D550 WeakPolarHBondContact CB-OD2 3.46Å; S547-D550 PolarHBondContact N-OD2 3.49Å; S547-D550 PolarHBondContact O-N 3.12Å; S547-D550 VanDerWaalsContact OG-CG 3.22Å; S547-D550 PolarHBondContact OG-N 3.18Å; S547-D550 PolarHBondContact OG-OD2 3.22Å | ||
| 548 | E | 49.9 | Very low | 43.4 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.4 | -23.5 | 174.8 | -167.2 | 171.4 | -167.7 | 0 | 0 | 112.2 | V552 | E548-V552 WeakPolarHBondContact O-CG2 3.48Å; E548-V552 PolarHBondContact O-N 3.32Å |
| 549 | K | 52 | Low | 43.9 | Very low | 162 Ų | 162 | 111.9 Ų | 111.9 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75 | -47.2 | 176.3 | -61.8 | -175.7 | 175.8 | -172.1 | 0 | 112.6 | S547 L551 V552 E553 | S547-K549 PolarHBondContact O-N 2.94Å; S547-K549 VanDerWaalsContact O-N 3.11Å; S547-K549 PolarHBondContact OG-N 3.36Å; K549-L551 PolarHBondContact O-N 3.1Å; K549-L551 VanDerWaalsContact O-N 3.12Å; K549-V552 PolarHBondContact O-N 2.94Å; K549-E553 WeakPolarHBondContact O-CB 3.46Å; K549-E553 PolarHBondContact O-N 3.3Å |
| 550 | D | 55.2 | Low | 44.1 | Very low | 67 Ų | 67 | 113 Ų | 113 | 36% | 0.358 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.3 | -29 | -177.2 | -46.8 | -56.8 | 0 | 0 | 0 | 111.5 | L546 S547 Q554 | L546-D550 HydrophobicContact CD2-CB 4.27Å; S547-D550 WeakPolarHBondContact CA-OD2 3.1Å; S547-D550 WeakPolarHBondContact CB-OD2 3.46Å; S547-D550 PolarHBondContact N-OD2 3.49Å; S547-D550 PolarHBondContact O-N 3.12Å; S547-D550 VanDerWaalsContact OG-CG 3.22Å; S547-D550 PolarHBondContact OG-N 3.18Å; S547-D550 PolarHBondContact OG-OD2 3.22Å; D550-Q554 WeakPolarHBondContact O-CB 3.44Å; D550-Q554 WeakPolarHBondContact O-CG 3.37Å; D550-Q554 PolarHBondContact O-N 3.11Å |
| 551 | L | 57.5 | Low | 43.8 | Very low | 20 Ų | 20 | 107.1 Ų | 107.1 | 11% | 0.105 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -76.7 | -33.3 | 174.5 | -71.7 | 169.7 | 0 | 0 | 0 | 113.8 | K549 V555 Q715 K718 | K549-L551 PolarHBondContact O-N 3.1Å; K549-L551 VanDerWaalsContact O-N 3.12Å; L551-V555 WeakPolarHBondContact O-CG2 3.31Å; L551-V555 PolarHBondContact O-N 3.5Å; L551-Q715 HydrophobicContact CD1-CG 3.86Å; L551-K718 HydrophobicContact CD2-CD 4.29Å |
| 552 | V | 56.6 | Low | 44.1 | Very low | 79 Ų | 79 | 105.5 Ų | 105.5 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.1 | -45.4 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | E548 K549 Q554 V555 E556 | E548-V552 WeakPolarHBondContact O-CG2 3.48Å; E548-V552 PolarHBondContact O-N 3.32Å; K549-V552 PolarHBondContact O-N 2.94Å; V552-Q554 VanDerWaalsContact C-N 3.34Å; V552-Q554 PolarHBondContact O-N 3.38Å; V552-V555 WeakPolarHBondContact O-CA 3.41Å; V552-V555 WeakPolarHBondContact O-CB 3.5Å; V552-V555 PolarHBondContact O-N 3.06Å; V552-E556 WeakPolarHBondContact O-CB 3.33Å; V552-E556 PolarHBondContact O-N 3.42Å |
| 553 | E | 51.5 | Low | 44.2 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.5 | -36.5 | 179.2 | -160.5 | 160.6 | -167.2 | 0 | 0 | 111.3 | K549 V555 E556 C557 | K549-E553 WeakPolarHBondContact O-CB 3.46Å; K549-E553 PolarHBondContact O-N 3.3Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.28Å; E553-E556 PolarHBondContact O-N 2.81Å; E553-C557 VanDerWaalsContact O-CB 3.25Å; E553-C557 WeakPolarHBondContact O-CB 3.46Å; E553-C557 PolarHBondContact O-N 3.48Å; E553-C557 PolarHBondContact O-SG 3.37Å |
| 554 | Q | 51.6 | Low | 44.4 | Very low | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.9 | -33.5 | 168.1 | -86.9 | -170.4 | -10 | 0 | 0 | 114.3 | D550 V552 | D550-Q554 WeakPolarHBondContact O-CB 3.44Å; D550-Q554 WeakPolarHBondContact O-CG 3.37Å; D550-Q554 PolarHBondContact O-N 3.11Å; V552-Q554 VanDerWaalsContact C-N 3.34Å; V552-Q554 PolarHBondContact O-N 3.38Å |
| 555 | V | 49.3 | Very low | 44.3 | Very low | 43 Ų | 43 | 106.5 Ų | 106.5 | 26% | 0.261 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77 | -32.6 | 178.6 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | L551 V552 E553 C559 | L551-V555 WeakPolarHBondContact O-CG2 3.31Å; L551-V555 PolarHBondContact O-N 3.5Å; V552-V555 WeakPolarHBondContact O-CA 3.41Å; V552-V555 WeakPolarHBondContact O-CB 3.5Å; V552-V555 PolarHBondContact O-N 3.06Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.28Å; V555-C559 PolarHBondContact O-SG 2.75Å |
| 556 | E | 39.7 | Very low | 44.2 | Very low | 128 Ų | 128 | 107.3 Ų | 107.3 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -83.1 | -39.8 | -178.6 | -161.4 | 157.3 | -136.7 | 0 | 0 | 112.3 | V552 E553 Q558 C559 | V552-E556 WeakPolarHBondContact O-CB 3.33Å; V552-E556 PolarHBondContact O-N 3.42Å; E553-E556 PolarHBondContact O-N 2.81Å; E556-Q558 PolarHBondContact O-N 3Å; E556-C559 WeakPolarHBondContact O-CB 3.44Å; E556-C559 PolarHBondContact O-N 3.38Å |
| 557 | C | 39 | Very low | 43.7 | Very low | 88 Ų | 88 | 108.7 Ų | 108.7 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -67.4 | -17.3 | 173.9 | -69.2 | 0 | 0 | 0 | 0 | 113.9 | E553 C559 | E553-C557 VanDerWaalsContact O-CB 3.25Å; E553-C557 WeakPolarHBondContact O-CB 3.46Å; E553-C557 PolarHBondContact O-N 3.48Å; E553-C557 PolarHBondContact O-SG 3.37Å; C557-C559 PolarHBondContact O-N 3.28Å |
| 558 | Q | 44.4 | Very low | 43.3 | Very low | 137 Ų | 137 | 113.3 Ų | 113.3 | 64% | 0.64 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -76.7 | -2.1 | 167.8 | -80.4 | -170.6 | -8.8 | 0 | 0 | 113.7 | E556 | E556-Q558 PolarHBondContact O-N 3Š|
| 559 | C | 40.2 | Very low | 42.8 | Very low | 88 Ų | 88 | 116.8 Ų | 116.8 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -114.8 | 9.8 | -174.9 | -63.1 | 0 | 0 | 0 | 0 | 114 | V555 E556 C557 | V555-C559 PolarHBondContact O-SG 2.75Å; E556-C559 WeakPolarHBondContact O-CB 3.44Å; E556-C559 PolarHBondContact O-N 3.38Å; C557-C559 PolarHBondContact O-N 3.28Å |
| 560 | I | 35.8 | Very low | 42.1 | Very low | 148 Ų | 148 | 115.2 Ų | 115.2 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -128 | 50.2 | -179.9 | -39.8 | 179.9 | 0 | 0 | 0 | 109.6 | ||
| 561 | G | 32.1 | Very low | 41.1 | Very low | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | trans | -139.9 | 31.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 562 | D | 37.4 | Very low | 40.1 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 87% | 0.872 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -155.4 | 148.3 | 164.5 | -94.3 | -43 | 0 | 0 | 0 | 109.9 | ||
| 563 | Q | 34.3 | Very low | 39.1 | Very low | 199 Ų | 199 | 125 Ų | 125 | 93% | 0.93 | 70% | 0.702 | S | S | * | * | trans | 61.7 | 101.6 | -176.6 | -61 | -169.9 | -1.5 | 0 | 0 | 117.1 | ||||
| 564 | S | 36.9 | Very low | 38.4 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | trans | -126.4 | 122.3 | 166.8 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 565 | I | 33.9 | Very low | 37.4 | Very low | 151 Ų | 151 | 130 Ų | 130 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | trans | 61 | 115.6 | 145.4 | -52.3 | 166.8 | 0 | 0 | 0 | 118 | ||||
| 566 | S | 37.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -133.8 | 143.8 | 132.5 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 567 | D | 36.6 | Very low | 36.5 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -93.5 | 146 | -172.7 | -59.2 | -85.9 | 0 | 0 | 0 | 112.4 | ||||
| 568 | D | 38.2 | Very low | 36.3 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | -170.7 | 155 | 99.7 | -129.8 | -35.8 | 0 | 0 | 0 | 115.3 | |||||
| 569 | K | 38.9 | Very low | 35.6 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | trans | -21.4 | 160.7 | -175 | -90.5 | 155.4 | -178 | 132.3 | 0 | 126 | ||||
| 570 | P | 37.6 | Very low | 35.3 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | trans | -115.5 | 178.5 | -175.9 | 44.7 | -34.8 | 0 | 0 | 0 | 116.1 | ||||
| 571 | G | 34.7 | Very low | 35.2 | Very low | 66 Ų | 66 | 139.8 Ų | 139.8 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 176.6 | 120.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 572 | V | 37 | Very low | 35.2 | Very low | 140 Ų | 140 | 141 Ų | 141 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 64.8 | 143.7 | 140.9 | 179.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 573 | E | 34 | Very low | 35 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -176.5 | 175.6 | -27.9 | -161.3 | 168.6 | -115.8 | 0 | 0 | 108.4 | ||||
| 574 | I | 38.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 88.2 | 145.6 | 161.6 | -57.2 | 165.8 | 0 | 0 | 0 | 118.3 | ||||
| 575 | E | 29.9 | Very low | 34.8 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -107.6 | 164.9 | -169.3 | -48.2 | 161 | 109.5 | 0 | 0 | 113 | ||||
| 576 | S | 35.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 151.9 | 129.8 | 112.2 | 59.5 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 577 | Q | 35 | Very low | 34.5 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 63.7 | 117.4 | 137.3 | -67.7 | -172.4 | 39.9 | 0 | 0 | 125 | ||||
| 578 | V | 33.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | 85.6 | 114.8 | 129.1 | 179.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 579 | E | 29.7 | Very low | 33.9 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -1 | 130.3 | 150 | -52.2 | 174 | 134.2 | 0 | 0 | 119.7 | ||||
| 580 | S | 33.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | 170.9 | 144.7 | 95 | 48.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 581 | I | 34.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 77.5 | 133.7 | 151.9 | -65.7 | 155.6 | 0 | 0 | 0 | 120.5 | ||||
| 582 | S | 31.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 56.7 | 110.9 | 157.6 | 68.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 583 | E | 33.4 | Very low | 33.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | 58.2 | 145.6 | 116.5 | -63.5 | 174.6 | 139.7 | 0 | 0 | 123 | |||||
| 584 | E | 36.4 | Very low | 33.2 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | 70.6 | 152.9 | 167.2 | -71.7 | -169.8 | 131.3 | 0 | 0 | 120.5 | ||||
| 585 | C | 30.6 | Very low | 33.2 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | trans | 68 | 103.7 | 161.7 | -76.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 586 | D | 32.8 | Very low | 33.4 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | 97.5 | 139.5 | 115.4 | -58.7 | -13 | 0 | 0 | 0 | 121.1 | |||||
| 587 | E | 31.6 | Very low | 33.6 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -68 | 162.5 | 172.3 | -52.9 | 166.9 | 119.1 | 0 | 0 | 111.5 | ||||
| 588 | C | 32 | Very low | 33.5 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | 133.6 | 152.2 | 145.8 | -71.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 589 | L | 31.3 | Very low | 33.8 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | cis | -168.7 | 166.4 | -24.7 | -104.1 | 176.7 | 0 | 0 | 0 | 105.5 | ||||
| 590 | N | 33.4 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | trans | 28.1 | 129.6 | 144.5 | -53.8 | -9.1 | 0 | 0 | 0 | 121.6 | ||||
| 591 | A | 33.4 | Very low | 34.2 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | -145.5 | 117.9 | 110 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 592 | N | 33.3 | Very low | 34.1 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | 65.3 | 135.5 | 82.2 | -53.6 | -6.2 | 0 | 0 | 0 | 110.5 | |||||
| 593 | I | 34.2 | Very low | 34.1 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | -148.5 | 130.7 | 53.7 | -75.4 | 158.8 | 0 | 0 | 0 | 106.7 | |||||
| 594 | D | 32.6 | Very low | 34.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | 57.6 | 142.3 | 88.3 | -117.6 | -19.9 | 0 | 0 | 0 | 112 | N596 | D594-N596 PolarHBondContact OD1-ND2 3.11Š| |||
| 595 | V | 38.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | cis | -144.6 | 138.4 | 34.4 | 178 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 596 | N | 34.9 | Very low | 34.2 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | trans | -33.5 | 154.4 | 161 | -37.2 | -79.1 | 0 | 0 | 0 | 117.8 | D594 | D594-N596 PolarHBondContact OD1-ND2 3.11Š| ||
| 597 | D | 38.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | 163.9 | 126 | 105.3 | -85.8 | -35.5 | 0 | 0 | 0 | 112.6 | |||||
| 598 | D | 33.6 | Very low | 34.4 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -83.8 | -162.4 | 171.1 | -55.6 | -80 | 0 | 0 | 0 | 110.6 | ||||
| 599 | P | 39.8 | Very low | 34.8 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -142.2 | -170.6 | -4.8 | 37 | -13.4 | 0 | 0 | 0 | 117.1 | ||||
| 600 | E | 37.9 | Very low | 35.1 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 90.5 | 106.5 | 137.1 | -104 | 174.1 | -174.4 | 0 | 0 | 123.3 | ||||
| 601 | F | 33.5 | Very low | 35.4 | Very low | 210 Ų | 210 | 135.4 Ų | 135.4 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | 59.1 | 128.8 | 131 | -84.1 | -121.2 | 0 | 0 | 0 | 122.1 | ||||
| 602 | G | 33.1 | Very low | 35.7 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | 170.5 | 106.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 603 | S | 32 | Very low | 36 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -108.5 | 137.9 | 176 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 604 | C | 33.9 | Very low | 36.4 | Very low | 107 Ų | 107 | 141 Ų | 141 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | 177.3 | 137.2 | 127.9 | -102.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 605 | T | 34.8 | Very low | 36.5 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.693 | 79% | 0.785 | S | S | * | * | trans | 51.4 | 120.7 | 141.7 | 61 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 606 | D | 33 | Very low | 36.6 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | 36.1 | 135.3 | 125.2 | -52 | -23.2 | 0 | 0 | 0 | 122.2 | |||||
| 607 | L | 37.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | -167.3 | 134.5 | 115.4 | -104.1 | 172.6 | 0 | 0 | 0 | 112.7 | |||||
| 608 | D | 31.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -71.6 | 135.6 | 171.6 | -92.5 | -36.2 | 0 | 0 | 0 | 112.7 | ||||
| 609 | V | 40.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -141.4 | 144.5 | 147.4 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 610 | K | 37.8 | Very low | 36.6 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | trans | -107.7 | -177 | -171.5 | -51.8 | 178.2 | 177 | -177.2 | 0 | 113.5 | ||||
| 611 | D | 39.9 | Very low | 36.5 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | 71.5 | 113.7 | 151.8 | -48.7 | -33.6 | 0 | 0 | 0 | 116.5 | ||||
| 612 | L | 40.5 | Very low | 36.4 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | -175 | 146.3 | 104.1 | -93.3 | 167.9 | 0 | 0 | 0 | 111.5 | |||||
| 613 | D | 39 | Very low | 36.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -100.6 | -177 | -174.7 | -56.3 | -85 | 0 | 0 | 0 | 113.7 | ||||
| 614 | E | 42 | Very low | 36.5 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 80.2 | 121.6 | 157 | -66.3 | -178.2 | 168.9 | 0 | 0 | 120.6 | ||||
| 615 | D | 36.3 | Very low | 36.4 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 116.6 | 137.9 | -61.4 | -0.3 | 0 | 0 | 0 | 122.4 | ||||
| 616 | S | 40 | Very low | 36.2 | Very low | 126 Ų | 126 | 150 Ų | 150 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | -169.9 | 149.8 | 108 | -80.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 617 | E | 37.8 | Very low | 36.3 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -79.4 | 143.1 | 174.3 | -52.9 | 171.5 | 130.3 | 0 | 0 | 112 | ||||
| 618 | S | 38.7 | Very low | 36.1 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -159.3 | 115.3 | 158.4 | 62 | 0 | 0 | 0 | 0 | 114.2 | S620 | S618-S620 PolarHBondContact O-N 2.88Š| ||
| 619 | D | 34.6 | Very low | 36.3 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 95% | 0.952 | 79% | 0.786 | S | S | * | * | trans | -73.3 | 111.6 | 167.4 | -92.6 | -43.7 | 0 | 0 | 0 | 111.8 | ||||
| 620 | S | 35.8 | Very low | 36.1 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -156.5 | 107.2 | 152.6 | 61 | 0 | 0 | 0 | 0 | 109.1 | S618 | S618-S620 PolarHBondContact O-N 2.88Š| ||
| 621 | C | 34.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 53 | 99.4 | 79.9 | -169.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 622 | F | 33 | Very low | 35.5 | Very low | 204 Ų | 204 | 147.9 Ų | 147.9 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | -158.7 | 144.3 | 128.6 | -96.7 | -64.7 | 0 | 0 | 0 | 109.9 | |||||
| 623 | S | 30.5 | Very low | 35 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -123 | 132.1 | -170.4 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 624 | Y | 35.6 | Very low | 34.4 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -163.3 | 147.4 | 162.6 | -78.3 | -48.8 | 0 | 0 | 0 | 109 | ||||
| 625 | H | 31.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 58% | 0.579 | 78% | 0.776 | S | S | * | * | cis | -151.7 | 126.6 | -12.1 | -140.4 | -40.7 | 0 | 0 | 0 | 109.4 | K627 | H625-K627 WeakPolarHBondContact CE1-CE 3.44Å; H625-K627 WeakPolarHBondContact ND1-CE 3.44Å; H625-K627 WeakPolarHBondContact NE2-CE 3.48Å; H625-K627 PolarHBondContact NE2-NZ 3.35Å | ||
| 626 | D | 30.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 129.8 | 165 | -179.9 | 10 | 0 | 0 | 0 | 109.3 | ||||
| 627 | K | 36.1 | Very low | 33.1 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -157.2 | 88.1 | -180 | -71 | -164.6 | -178.2 | 172 | 0 | 114.4 | H625 | H625-K627 WeakPolarHBondContact CE1-CE 3.44Å; H625-K627 WeakPolarHBondContact ND1-CE 3.44Å; H625-K627 WeakPolarHBondContact NE2-CE 3.48Å; H625-K627 PolarHBondContact NE2-NZ 3.35Å | ||
| 628 | S | 32.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -144.3 | 50.8 | 143.9 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 629 | S | 34.6 | Very low | 32.6 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -70 | 131.7 | 168.8 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 630 | I | 36.9 | Very low | 32.4 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | trans | -90.8 | 113.7 | 164 | -72.8 | 175.3 | 0 | 0 | 0 | 108 | ||||
| 631 | D | 30.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | -57.7 | 158.9 | 164.3 | -82.8 | -53.9 | 0 | 0 | 0 | 110.4 | ||||
| 632 | F | 33.3 | Very low | 32.1 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 90% | 0.899 | 77% | 0.766 | S | S | * | * | -151 | 166.9 | 56.2 | -78.3 | -84.8 | 0 | 0 | 0 | 113.9 | |||||
| 633 | S | 30.3 | Very low | 32.1 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -116.9 | 162.8 | -171.2 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 634 | C | 27.2 | Very low | 32.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 80.5 | 143.8 | 153.9 | -70.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 635 | T | 30.8 | Very low | 32.1 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | 68.3 | 85.6 | 147.7 | 45.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 636 | T | 27 | Very low | 32.2 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 32.2 | 113.3 | 106.9 | -43.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 637 | S | 33 | Very low | 32.5 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | -165.3 | 159.6 | 115 | -81.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 638 | E | 32 | Very low | 32.3 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 157.6 | -175.1 | -55.6 | 165.4 | 131.9 | 0 | 0 | 113.3 | ||||
| 639 | I | 33.1 | Very low | 32.2 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 152.8 | 137.2 | 134.4 | -82.4 | 157.9 | 0 | 0 | 0 | 108.5 | ||||
| 640 | L | 30.6 | Very low | 32.2 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | cis | -176.1 | 168.1 | -31.1 | -133.2 | 169.8 | 0 | 0 | 0 | 105 | ||||
| 641 | L | 33.1 | Very low | 31.9 | Very low | 130 Ų | 130 | 135 Ų | 135 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 112 | 172.5 | -53.7 | 171.4 | 0 | 0 | 0 | 114.4 | ||||
| 642 | E | 31.2 | Very low | 32.1 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 76.5 | 129.6 | 69.8 | -71.6 | 172.4 | -160.3 | 0 | 0 | 113 | |||||
| 643 | G | 33.2 | Very low | 31.9 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | cis | -178.8 | -171 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 644 | E | 31.2 | Very low | 32.3 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | 49.6 | 144.8 | 144.9 | -75.8 | -165.6 | 122.4 | 0 | 0 | 122.5 | ||||
| 645 | A | 35.3 | Very low | 32.7 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | cis | -157.3 | 156 | -1.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 646 | T | 33.2 | Very low | 32.9 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 29.5 | 137.5 | 146.9 | 58 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 647 | P | 36 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -92.5 | 161.1 | 163 | 38.2 | -34.5 | 0 | 0 | 0 | 114.4 | ||||
| 648 | A | 33 | Very low | 33.2 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -148.4 | 127.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 649 | L | 30.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | 82.1 | 99.1 | 63.1 | -73.9 | 175.9 | 0 | 0 | 0 | 115.8 | |||||
| 650 | S | 34.4 | Very low | 33.4 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -170.8 | 123.6 | 140.1 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 651 | F | 30.6 | Very low | 33.9 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | cis | 86.5 | 140.1 | 47.1 | -92.3 | -84.9 | 0 | 0 | 0 | 116.5 | ||||
| 652 | S | 34.7 | Very low | 34.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 89 | 145.7 | 172.7 | -161.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 653 | S | 30.3 | Very low | 35.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | -175.2 | 139.7 | -54.4 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 654 | A | 38.3 | Very low | 37.6 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -160 | 158 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 655 | M | 35.4 | Very low | 39.5 | Very low | 181 Ų | 181 | 133 Ų | 133 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | trans | -118.9 | 167.5 | -174.1 | -62.4 | -175.5 | 179.3 | 0 | 0 | 113 | ||||
| 656 | K | 35.3 | Very low | 41.5 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 80.8 | 143.9 | 166.2 | -64 | 179.5 | -180 | 177.3 | 0 | 115.9 | ||||
| 657 | D | 36.2 | Very low | 43.5 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | cis | -135.2 | 154.1 | 3.5 | -98.8 | -39.8 | 0 | 0 | 0 | 112.8 | ||||
| 658 | T | 30.3 | Very low | 45.4 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | trans | -92.4 | 112.9 | 179.3 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 659 | S | 35.1 | Very low | 47.8 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -157.3 | 103.6 | 157.7 | -155.3 | 0 | 0 | 0 | 0 | 114.2 | R661 | S659-R661 PolarHBondContact O-N 2.87Š| ||
| 660 | S | 33.5 | Very low | 49.8 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | -72.5 | 87.5 | 172.2 | 56 | 0 | 0 | 0 | 0 | 111.4 | L662 | S660-L662 PolarHBondContact O-N 3.04Å; S660-L662 VanDerWaalsContact O-N 3.15Å | ||
| 661 | R | 41.7 | Very low | 51.6 | Low | 229 Ų | 229 | 128.1 Ų | 128.1 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | trans | -83.4 | 84.8 | 175.9 | -85.7 | -173.7 | 162.9 | 179.4 | -4.1 | 112.3 | S659 R663 | S659-R661 PolarHBondContact O-N 2.87Å; R661-R663 PolarHBondContact O-N 3.19Å | ||
| 662 | L | 44.2 | Very low | 53.7 | Low | 166 Ų | 166 | 121.2 Ų | 121.2 | 87% | 0.869 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 118.8 | 166.5 | -62.8 | 171.8 | 0 | 0 | 0 | 110.3 | S660 S664 | S660-L662 PolarHBondContact O-N 3.04Å; S660-L662 VanDerWaalsContact O-N 3.15Å; L662-S664 PolarHBondContact O-N 3.48Å |
| 663 | R | 54.8 | Low | 55.7 | Low | 161 Ų | 161 | 123.5 Ų | 123.5 | 61% | 0.608 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.3 | 170.8 | -83.6 | -168.9 | 177 | -164.2 | 0.4 | 108.8 | R661 H671 | R661-R663 PolarHBondContact O-N 3.19Å; R663-H671 PolarHBondContact NH1-CD2 3.29Å; R663-H671 PolarHBondContact NH1-NE2 3.04Å; R663-H671 VanDerWaalsContact NH1-NE2 3.17Å |
| 664 | S | 77 | Confident | 57.3 | Low | 65 Ų | 65 | 124.4 Ų | 124.4 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 148.3 | 171.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | L662 S666 S667 Y668 | L662-S664 PolarHBondContact O-N 3.48Å; S664-S666 PolarHBondContact O-N 3.16Å; S664-S666 VanDerWaalsContact O-N 3.12Å; S664-S666 PolarHBondContact OG-N 3.31Å; S664-S666 VanDerWaalsContact OG-N 3.1Å; S664-S666 PolarHBondContact OG-OG 3.22Å; S664-S667 WeakPolarHBondContact O-CA 3.38Å; S664-S667 WeakPolarHBondContact O-CB 3.43Å; S664-S667 PolarHBondContact O-N 2.93Å; S664-Y668 PolarHBondContact O-N 3.44Å |
| 665 | V | 70.9 | Confident | 58.4 | Low | 98 Ų | 98 | 128.4 Ų | 128.4 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -55 | -29.2 | 169.9 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | R669 | V665-R669 HydrophobicContact CG1-CG 4.37Å; V665-R669 WeakPolarHBondContact O-CB 3.35Å; V665-R669 VanDerWaalsContact O-CG 3.27Å; V665-R669 WeakPolarHBondContact O-CG 3.48Å; V665-R669 PolarHBondContact O-N 2.97Å |
| 666 | S | 75.8 | Confident | 59.5 | Low | 77 Ų | 77 | 125.6 Ų | 125.6 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.1 | -38.3 | 171.2 | 59.9 | 0 | 0 | 0 | 0 | 113 | S664 S670 | S664-S666 PolarHBondContact O-N 3.16Å; S664-S666 VanDerWaalsContact O-N 3.12Å; S664-S666 PolarHBondContact OG-N 3.31Å; S664-S666 VanDerWaalsContact OG-N 3.1Å; S664-S666 PolarHBondContact OG-OG 3.22Å; S666-S670 WeakPolarHBondContact O-CB 3.48Å; S666-S670 PolarHBondContact O-N 2.98Å; S666-S670 PolarHBondContact O-OG 3.24Å |
| 667 | S | 75 | Confident | 60.2 | Low | 46 Ų | 46 | 119.6 Ų | 119.6 | 32% | 0.322 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.2 | -42.3 | 174.3 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | S664 S670 H671 | S664-S667 WeakPolarHBondContact O-CA 3.38Å; S664-S667 WeakPolarHBondContact O-CB 3.43Å; S664-S667 PolarHBondContact O-N 2.93Å; S667-S670 PolarHBondContact O-N 2.98Å; S667-H671 VanDerWaalsContact O-CB 3.24Å; S667-H671 WeakPolarHBondContact O-CB 3.49Å; S667-H671 PolarHBondContact O-N 3.08Å |
| 668 | Y | 77.5 | Confident | 60.7 | Low | 148 Ų | 148 | 116 Ų | 116 | 58% | 0.58 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.5 | -48.7 | 173.5 | -176.8 | -100.7 | 0 | 0 | 0 | 111.7 | S664 S670 H671 V672 | S664-Y668 PolarHBondContact O-N 3.44Å; Y668-S670 PolarHBondContact O-N 3.31Å; Y668-H671 PolarHBondContact O-N 3.36Å; Y668-V672 HydrophobicContact CD1-CG2 4.15Å; Y668-V672 HydrophobicContact CD2-CG2 4.44Å; Y668-V672 HydrophobicContact CE1-CG2 3.74Å; Y668-V672 HydrophobicContact CE2-CG2 4.05Å; Y668-V672 HydrophobicContact CG-CG2 4.48Å; Y668-V672 WeakPolarHBondContact O-CG2 3.43Å; Y668-V672 PolarHBondContact O-N 3.3Å |
| 669 | R | 81.7 | Confident | 61.2 | Low | 182 Ų | 182 | 115.2 Ų | 115.2 | 69% | 0.687 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -38.4 | 178.2 | -74 | 178.1 | -178.5 | -144.8 | -0.5 | 112.8 | V665 K673 | V665-R669 HydrophobicContact CG1-CG 4.37Å; V665-R669 WeakPolarHBondContact O-CB 3.35Å; V665-R669 VanDerWaalsContact O-CG 3.27Å; V665-R669 WeakPolarHBondContact O-CG 3.48Å; V665-R669 PolarHBondContact O-N 2.97Å; R669-K673 VanDerWaalsContact O-CB 3.24Å; R669-K673 WeakPolarHBondContact O-CB 3.36Å; R669-K673 PolarHBondContact O-N 3.21Å |
| 670 | S | 73.3 | Confident | 61.3 | Low | 76 Ų | 76 | 115.3 Ų | 115.3 | 53% | 0.531 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -46.5 | 172.3 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | S666 S667 Y668 V672 K673 E674 | S666-S670 WeakPolarHBondContact O-CB 3.48Å; S666-S670 PolarHBondContact O-N 2.98Å; S666-S670 PolarHBondContact O-OG 3.24Å; S667-S670 PolarHBondContact O-N 2.98Å; Y668-S670 PolarHBondContact O-N 3.31Å; S670-V672 PolarHBondContact O-N 2.98Å; S670-K673 CarbonylContact O-C 3.59Å; S670-K673 PolarHBondContact O-N 3.4Å; S670-K673 VanDerWaalsContact O-N 3.16Å; S670-E674 WeakPolarHBondContact O-CB 3.49Å; S670-E674 PolarHBondContact O-N 2.87Å |
| 671 | H | 73.2 | Confident | 61.2 | Low | 59 Ų | 59 | 115.5 Ų | 115.5 | 27% | 0.273 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.9 | -33.7 | -178.9 | -168.8 | -94.8 | 0 | 0 | 0 | 113.1 | R663 S667 Y668 R675 | R663-H671 PolarHBondContact NH1-CD2 3.29Å; R663-H671 PolarHBondContact NH1-NE2 3.04Å; R663-H671 VanDerWaalsContact NH1-NE2 3.17Å; S667-H671 VanDerWaalsContact O-CB 3.24Å; S667-H671 WeakPolarHBondContact O-CB 3.49Å; S667-H671 PolarHBondContact O-N 3.08Å; Y668-H671 PolarHBondContact O-N 3.36Å; H671-R675 PolarHBondContact O-N 3.5Å |
| 672 | V | 74.8 | Confident | 60.8 | Low | 50 Ų | 50 | 110.4 Ų | 110.4 | 30% | 0.303 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -43.7 | 170 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | Y668 S670 E674 R675 L676 | Y668-V672 HydrophobicContact CD1-CG2 4.15Å; Y668-V672 HydrophobicContact CD2-CG2 4.44Å; Y668-V672 HydrophobicContact CE1-CG2 3.74Å; Y668-V672 HydrophobicContact CE2-CG2 4.05Å; Y668-V672 HydrophobicContact CG-CG2 4.48Å; Y668-V672 WeakPolarHBondContact O-CG2 3.43Å; Y668-V672 PolarHBondContact O-N 3.3Å; S670-V672 PolarHBondContact O-N 2.98Å; V672-E674 VanDerWaalsContact C-N 3.27Å; V672-E674 PolarHBondContact O-N 3.4Å; V672-R675 PolarHBondContact O-N 2.93Å; V672-L676 HydrophobicContact CG1-CD1 3.95Å; V672-L676 WeakPolarHBondContact O-CB 3.31Å; V672-L676 VanDerWaalsContact O-CG 3.32Å; V672-L676 WeakPolarHBondContact O-CG 3.38Å; V672-L676 PolarHBondContact O-N 3.06Å |
| 673 | K | 75.5 | Confident | 60.2 | Low | 156 Ų | 156 | 111.3 Ų | 111.3 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.6 | -33.8 | 175.1 | -171.4 | -177.5 | 178.9 | -169.8 | 0 | 112.2 | R669 S670 L676 A677 | R669-K673 VanDerWaalsContact O-CB 3.24Å; R669-K673 WeakPolarHBondContact O-CB 3.36Å; R669-K673 PolarHBondContact O-N 3.21Å; S670-K673 CarbonylContact O-C 3.59Å; S670-K673 PolarHBondContact O-N 3.4Å; S670-K673 VanDerWaalsContact O-N 3.16Å; K673-L676 PolarHBondContact O-N 3.31Å; K673-A677 WeakPolarHBondContact O-CB 3.47Å; K673-A677 PolarHBondContact O-N 3.05Å |
| 674 | E | 65.1 | Low | 59.1 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.6 | -43.9 | 177.3 | -173 | 168.1 | -147.2 | 0 | 0 | 111.1 | S670 V672 L676 A677 A678 | S670-E674 WeakPolarHBondContact O-CB 3.49Å; S670-E674 PolarHBondContact O-N 2.87Å; V672-E674 VanDerWaalsContact C-N 3.27Å; V672-E674 PolarHBondContact O-N 3.4Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.45Å; E674-A677 PolarHBondContact O-N 2.77Å; E674-A678 VanDerWaalsContact O-CB 3.28Å; E674-A678 WeakPolarHBondContact O-CB 3.24Å; E674-A678 PolarHBondContact O-N 3.49Å |
| 675 | R | 59.9 | Low | 56.7 | Low | 186 Ų | 186 | 112.5 Ų | 112.5 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.1 | -38.7 | 169.2 | -79 | -174.2 | 172.7 | -175.3 | -3.4 | 113 | H671 V672 | H671-R675 PolarHBondContact O-N 3.5Å; V672-R675 PolarHBondContact O-N 2.93Å |
| 676 | L | 58.8 | Low | 54.8 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 64% | 0.644 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.2 | -34.1 | 177 | -69.7 | 168.9 | 0 | 0 | 0 | 112.7 | V672 K673 E674 N679 | V672-L676 HydrophobicContact CG1-CD1 3.95Å; V672-L676 WeakPolarHBondContact O-CB 3.31Å; V672-L676 VanDerWaalsContact O-CG 3.32Å; V672-L676 WeakPolarHBondContact O-CG 3.38Å; V672-L676 PolarHBondContact O-N 3.06Å; K673-L676 PolarHBondContact O-N 3.31Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.45Å; L676-N679 PolarHBondContact O-N 3.44Å |
| 677 | A | 51.2 | Low | 52.6 | Low | 58 Ų | 58 | 120.4 Ų | 120.4 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -78.1 | -23.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K673 E674 N679 T680 | K673-A677 WeakPolarHBondContact O-CB 3.47Å; K673-A677 PolarHBondContact O-N 3.05Å; E674-A677 PolarHBondContact O-N 2.77Å; A677-N679 PolarHBondContact O-N 2.87Å; A677-T680 PolarHBondContact O-OG1 2.95Å |
| 678 | A | 45.4 | Very low | 50.5 | Low | 71 Ų | 71 | 126 Ų | 126 | 59% | 0.587 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -5.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E674 | E674-A678 VanDerWaalsContact O-CB 3.28Å; E674-A678 WeakPolarHBondContact O-CB 3.24Å; E674-A678 PolarHBondContact O-N 3.49Å |
| 679 | N | 41.9 | Very low | 48.6 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 13.2 | -178 | -119.6 | 20.8 | 0 | 0 | 0 | 114 | L676 A677 | L676-N679 PolarHBondContact O-N 3.44Å; A677-N679 PolarHBondContact O-N 2.87Å |
| 680 | T | 37 | Very low | 46.1 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 63% | 0.632 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -78.1 | 128.4 | 169.4 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | A677 | A677-T680 PolarHBondContact O-OG1 2.95Š|
| 681 | S | 30.7 | Very low | 44 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | 56.5 | 45.7 | 169.8 | 62 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 682 | N | 33.4 | Very low | 42.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 67% | 0.668 | S | S | * | * | trans | -82 | 110.6 | 153.1 | -77.4 | -45.4 | 0 | 0 | 0 | 108.9 | L684 | N682-L684 PolarHBondContact O-N 3.48Š| ||
| 683 | K | 31.5 | Very low | 40.1 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -55.9 | 121.9 | 167.5 | 178.5 | 179.8 | 179.1 | 178.8 | 0 | 107.6 | V685 | K683-V685 HydrophobicContact CD-CG2 4.34Å; K683-V685 HydrophobicContact CG-CG2 4.2Å; K683-V685 PolarHBondContact O-N 3.29Å | ||
| 684 | L | 31.3 | Very low | 37.9 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -76.4 | 73.2 | -174.4 | -147.9 | 167.1 | 0 | 0 | 0 | 110.1 | N682 Y686 | N682-L684 PolarHBondContact O-N 3.48Å; L684-Y686 HydrophobicContact CD2-CD2 4.07Å; L684-Y686 HydrophobicContact CD2-CE2 4.41Å; L684-Y686 PolarHBondContact O-N 3.43Å; L684-Y686 VanDerWaalsContact O-N 3.13Å | ||
| 685 | V | 28 | Very low | 36.5 | Very low | 102 Ų | 102 | 135 Ų | 135 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | trans | -69.2 | 106 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | K683 K687 | K683-V685 HydrophobicContact CD-CG2 4.34Å; K683-V685 HydrophobicContact CG-CG2 4.2Å; K683-V685 PolarHBondContact O-N 3.29Å; V685-K687 VanDerWaalsContact C-N 3.26Å; V685-K687 PolarHBondContact O-N 3.27Å | ||
| 686 | Y | 29.8 | Very low | 35.3 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | trans | -63.2 | 90.3 | 166 | -116.4 | -87.5 | 0 | 0 | 0 | 108.6 | L684 F688 | L684-Y686 HydrophobicContact CD2-CD2 4.07Å; L684-Y686 HydrophobicContact CD2-CE2 4.41Å; L684-Y686 PolarHBondContact O-N 3.43Å; L684-Y686 VanDerWaalsContact O-N 3.13Å; Y686-F688 PolarHBondContact O-N 3.33Å | ||
| 687 | K | 28.9 | Very low | 34.2 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 103.5 | 159.2 | -115.4 | -157.7 | 173.9 | -132.9 | 0 | 106.2 | V685 E690 | V685-K687 VanDerWaalsContact C-N 3.26Å; V685-K687 PolarHBondContact O-N 3.27Å; K687-E690 IonicContact NZ-OE1 3.82Å; K687-E690 PolarHBondContact NZ-OE1 3.38Å | ||
| 688 | F | 32.8 | Very low | 33.5 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | -49.4 | 144.2 | 162.9 | -70 | -91.5 | 0 | 0 | 0 | 109.2 | Y686 E690 | Y686-F688 PolarHBondContact O-N 3.33Å; F688-E690 PolarHBondContact O-N 3.13Å | ||
| 689 | P | 35.7 | Very low | 33 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | trans | -58.8 | 126.9 | 167.7 | 26.5 | -32.6 | 0 | 0 | 0 | 108.6 | E691 | P689-E691 HydrophobicContact CB-CG 3.92Å; P689-E691 HydrophobicContact CG-CG 4.04Å; P689-E691 PolarHBondContact O-N 2.92Å | ||
| 690 | E | 29.1 | Very low | 32.8 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | -73 | 78 | 169.9 | -75.2 | 162.8 | -156 | 0 | 0 | 107.6 | K687 F688 | K687-E690 IonicContact NZ-OE1 3.82Å; K687-E690 PolarHBondContact NZ-OE1 3.38Å; F688-E690 PolarHBondContact O-N 3.13Å | ||
| 691 | E | 31.3 | Very low | 32.5 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -72.8 | 140.5 | 179.5 | -61.8 | -148 | 148.9 | 0 | 0 | 111.4 | P689 | P689-E691 HydrophobicContact CB-CG 3.92Å; P689-E691 HydrophobicContact CG-CG 4.04Å; P689-E691 PolarHBondContact O-N 2.92Å | ||
| 692 | N | 32.9 | Very low | 33 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -79.1 | 161.9 | -167.2 | -66.1 | -94.9 | 0 | 0 | 0 | 111.4 | C694 | N692-C694 PolarHBondContact O-N 2.93Š| ||
| 693 | E | 32.8 | Very low | 33.3 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -41.7 | 123 | -173.5 | -57.4 | -175.1 | 140.3 | 0 | 0 | 114.4 | ||||
| 694 | C | 28.9 | Very low | 34.5 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128 | 175.3 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | N692 K696 | N692-C694 PolarHBondContact O-N 2.93Å; C694-K696 PolarHBondContact O-N 3.32Å |
| 695 | P | 36.1 | Very low | 35.8 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.7 | 171.7 | 26.9 | -33.3 | 0 | 0 | 0 | 109.7 | ||
| 696 | K | 35.1 | Very low | 37.5 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 150.2 | -176 | -64.6 | 175.4 | -177.9 | 175.6 | 0 | 111.2 | C694 H698 | C694-K696 PolarHBondContact O-N 3.32Å; K696-H698 PolarHBondContact O-CD2 2.99Å; K696-H698 PolarHBondContact O-N 3.2Å |
| 697 | K | 34.6 | Very low | 39.7 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 88% | 0.878 | 71% | 0.712 | S | S | * | * | trans | -36 | 102 | 178.1 | -67.4 | -178.2 | 177 | -176.7 | 0 | 111.9 | ||||
| 698 | H | 36.2 | Very low | 42.2 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | trans | -88.7 | 129.5 | 161.4 | -84.9 | -80.5 | 0 | 0 | 0 | 108 | K696 | K696-H698 PolarHBondContact O-CD2 2.99Å; K696-H698 PolarHBondContact O-N 3.2Å | ||
| 699 | S | 36.2 | Very low | 44.6 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | -58.8 | 152.5 | 169.9 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | T701 | S699-T701 PolarHBondContact O-N 3.44Š| ||
| 700 | I | 37 | Very low | 46.8 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | trans | -70.5 | 92.3 | -176.7 | -50.8 | 175.8 | 0 | 0 | 0 | 109.4 | I702 | I700-I702 HydrophobicContact CG2-CG1 3.67Å; I700-I702 PolarHBondContact O-N 2.86Å; I700-I702 VanDerWaalsContact O-N 3.07Å | ||
| 701 | T | 31.3 | Very low | 49.6 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -73.2 | 94.9 | 163.9 | -51.3 | 0 | 0 | 0 | 0 | 108 | S699 G703 | S699-T701 PolarHBondContact O-N 3.44Å; T701-G703 PolarHBondContact O-N 3.33Å | ||
| 702 | I | 40 | Very low | 52.4 | Low | 164 Ų | 164 | 125.3 Ų | 125.3 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | trans | -70.4 | 91.7 | 176.1 | -56 | 177.6 | 0 | 0 | 0 | 108.6 | I700 | I700-I702 HydrophobicContact CG2-CG1 3.67Å; I700-I702 PolarHBondContact O-N 2.86Å; I700-I702 VanDerWaalsContact O-N 3.07Å | ||
| 703 | G | 40.6 | Very low | 55 | Low | 43 Ų | 43 | 120 Ų | 120 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | S | Bend | trans | 171.8 | 133.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T701 N705 | T701-G703 PolarHBondContact O-N 3.33Å; G703-N705 PolarHBondContact O-N 3.46Å |
| 704 | R | 56.6 | Low | 57.8 | Low | 213 Ų | 213 | 111.5 Ų | 111.5 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 62.8 | -45.1 | 178.6 | -68.5 | -179.4 | 165.6 | 153.6 | -2.6 | 117 | G706 D707 Q708 | R704-G706 VanDerWaalsContact C-N 3.27Å; R704-G706 PolarHBondContact O-N 2.93Å; R704-D707 WeakPolarHBondContact CA-OD2 3.2Å; R704-D707 PolarHBondContact N-OD2 3.43Å; R704-Q708 PolarHBondContact O-N 3.38Å |
| 705 | N | 59.1 | Low | 60.8 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 66% | 0.663 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -15.5 | -175.1 | -70.9 | 1.8 | 0 | 0 | 0 | 114 | G703 | G703-N705 PolarHBondContact O-N 3.46Š|
| 706 | G | 62.9 | Low | 63.6 | Low | 34 Ų | 34 | 109.8 Ų | 109.8 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -64.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R704 Q708 K709 F710 | R704-G706 VanDerWaalsContact C-N 3.27Å; R704-G706 PolarHBondContact O-N 2.93Å; G706-Q708 VanDerWaalsContact C-N 3.26Å; G706-Q708 PolarHBondContact O-N 2.91Å; G706-Q708 VanDerWaalsContact O-N 3.12Å; G706-K709 WeakPolarHBondContact O-CB 3.5Å; G706-K709 PolarHBondContact O-N 3.22Å; G706-F710 WeakPolarHBondContact O-CD2 3.4Å |
| 707 | D | 75.7 | Confident | 66.3 | Low | 70 Ų | 70 | 100.8 Ų | 100.8 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -44.3 | -44.7 | -176.8 | -35.3 | -33.8 | 0 | 0 | 0 | 113.2 | R704 K709 F710 I711 | R704-D707 WeakPolarHBondContact CA-OD2 3.2Å; R704-D707 PolarHBondContact N-OD2 3.43Å; D707-K709 VanDerWaalsContact C-N 3.28Å; D707-K709 PolarHBondContact O-N 2.81Å; D707-F710 WeakPolarHBondContact O-CB 3.2Å; D707-F710 PolarHBondContact O-N 3.26Å; D707-F710 VanDerWaalsContact O-N 3.08Å; D707-I711 WeakPolarHBondContact O-CG1 3.48Å; D707-I711 PolarHBondContact O-N 2.61Å |
| 708 | Q | 81.2 | Confident | 69.2 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.2 | -33.1 | 178 | -171.2 | 170.1 | 51 | 0 | 0 | 113.6 | R704 G706 Q712 | R704-Q708 PolarHBondContact O-N 3.38Å; G706-Q708 VanDerWaalsContact C-N 3.26Å; G706-Q708 PolarHBondContact O-N 2.91Å; G706-Q708 VanDerWaalsContact O-N 3.12Å; Q708-Q712 WeakPolarHBondContact O-CB 3.35Å; Q708-Q712 PolarHBondContact O-N 2.68Å |
| 709 | K | 82.6 | Confident | 72 | Confident | 154 Ų | 154 | 90.8 Ų | 90.8 | 67% | 0.67 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.9 | -36.3 | 175.1 | -64.7 | -175.5 | 176.2 | -174.5 | 0 | 112.2 | G706 D707 K713 | G706-K709 WeakPolarHBondContact O-CB 3.5Å; G706-K709 PolarHBondContact O-N 3.22Å; D707-K709 VanDerWaalsContact C-N 3.28Å; D707-K709 PolarHBondContact O-N 2.81Å; K709-K713 WeakPolarHBondContact O-CB 3.25Å; K709-K713 PolarHBondContact O-N 3.04Å |
| 710 | F | 82.8 | Confident | 74.7 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.6 | -49 | 173.7 | -67.9 | -100.3 | 0 | 0 | 0 | 110.3 | G706 D707 Q712 K713 L714 V774 C777 L778 R782 F784 | G706-F710 WeakPolarHBondContact O-CD2 3.4Å; D707-F710 WeakPolarHBondContact O-CB 3.2Å; D707-F710 PolarHBondContact O-N 3.26Å; D707-F710 VanDerWaalsContact O-N 3.08Å; F710-Q712 VanDerWaalsContact C-N 3.31Å; F710-Q712 PolarHBondContact O-N 2.78Å; F710-K713 PolarHBondContact O-N 2.8Å; F710-L714 VanDerWaalsContact O-CB 3.23Å; F710-L714 WeakPolarHBondContact O-CB 3.21Å; F710-L714 PolarHBondContact O-N 3.16Å; F710-V774 HydrophobicContact CD1-CG1 4.31Å; F710-C777 HydrophobicContact CE1-CB 3.83Å; F710-L778 HydrophobicContact CB-CB 4.41Å; F710-L778 HydrophobicContact CB-CD1 3.94Å; F710-L778 HydrophobicContact CB-CD2 4.27Å; F710-L778 HydrophobicContact CB-CG 4.44Å; F710-L778 HydrophobicContact CD1-CB 3.85Å; F710-L778 HydrophobicContact CD1-CD1 4.33Å; F710-L778 HydrophobicContact CD2-CD1 4.13Å; F710-L778 HydrophobicContact CE1-CB 4.32Å; F710-L778 HydrophobicContact CG-CB 4.25Å; F710-L778 HydrophobicContact CG-CD1 3.92Å; F710-R782 WeakPolarHBondContact CZ-O 3.27Å; F710-F784 HydrophobicContact CD1-CB 4.26Å; F710-F784 HydrophobicContact CD1-CD2 4.47Å; F710-F784 HydrophobicContact CD1-CG 4.45Å; F710-F784 HydrophobicContact CE1-CB 3.54Å; F710-F784 HydrophobicContact CE1-CD2 4.26Å; F710-F784 HydrophobicContact CE1-CG 4.14Å; F710-F784 HydrophobicContact CZ-CB 3.74Å |
| 711 | I | 87.5 | Confident | 77.4 | Confident | 38 Ų | 38 | 82.9 Ų | 82.9 | 20% | 0.195 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 178.9 | -64.7 | 166.7 | 0 | 0 | 0 | 110.4 | D707 L714 Q715 | D707-I711 WeakPolarHBondContact O-CG1 3.48Å; D707-I711 PolarHBondContact O-N 2.61Å; I711-L714 PolarHBondContact O-N 2.88Å; I711-Q715 WeakPolarHBondContact O-CB 3.44Å; I711-Q715 VanDerWaalsContact O-CG 3.31Å; I711-Q715 WeakPolarHBondContact O-CG 2.97Å; I711-Q715 PolarHBondContact O-N 3.18Å |
| 712 | Q | 89.8 | Confident | 80.5 | Confident | 131 Ų | 131 | 83 Ų | 83 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 177.1 | -171.9 | 177.4 | 8.7 | 0 | 0 | 112.7 | Q708 F710 Q715 E716 | Q708-Q712 WeakPolarHBondContact O-CB 3.35Å; Q708-Q712 PolarHBondContact O-N 2.68Å; F710-Q712 VanDerWaalsContact C-N 3.31Å; F710-Q712 PolarHBondContact O-N 2.78Å; Q712-Q715 PolarHBondContact O-N 2.69Å; Q712-E716 PolarHBondContact O-N 2.92Å |
| 713 | K | 88.6 | Confident | 83.1 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68 | -35.3 | 177.8 | -178 | 52 | 175.1 | 163.3 | 0 | 112 | K709 F710 E716 L717 V774 F784 D830 | K709-K713 WeakPolarHBondContact O-CB 3.25Å; K709-K713 PolarHBondContact O-N 3.04Å; F710-K713 PolarHBondContact O-N 2.8Å; K713-E716 WeakPolarHBondContact CD-OE2 3.33Å; K713-E716 WeakPolarHBondContact CE-OE2 3.45Å; K713-E716 IonicContact NZ-OE2 2.71Å; K713-E716 PolarHBondContact NZ-OE2 2.93Å; K713-E716 PolarHBondContact O-N 3.4Å; K713-L717 HydrophobicContact CD-CD1 4.14Å; K713-L717 HydrophobicContact CD-CG 4.1Å; K713-L717 HydrophobicContact CG-CD1 4.01Å; K713-L717 HydrophobicContact CG-CG 4.47Å; K713-L717 WeakPolarHBondContact O-CB 3.48Å; K713-L717 WeakPolarHBondContact O-CD1 3.35Å; K713-L717 VanDerWaalsContact O-CG 3.26Å; K713-L717 WeakPolarHBondContact O-CG 3.32Å; K713-L717 PolarHBondContact O-N 3.25Å; K713-V774 HydrophobicContact CG-CG2 4.46Å; K713-F784 HydrophobicContact CG-CE1 4.21Å; K713-F784 HydrophobicContact CG-CZ 4.16Å; K713-D830 IonicContact NZ-OD2 2.72Å; K713-D830 PolarHBondContact NZ-OD2 3.34Å |
| 714 | L | 91.4 | Very high | 85.6 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.1 | -173.8 | 63.5 | 0 | 0 | 0 | 111.8 | F710 I711 K718 I771 V774 | F710-L714 VanDerWaalsContact O-CB 3.23Å; F710-L714 WeakPolarHBondContact O-CB 3.21Å; F710-L714 PolarHBondContact O-N 3.16Å; I711-L714 PolarHBondContact O-N 2.88Å; L714-K718 WeakPolarHBondContact O-CB 3.41Å; L714-K718 WeakPolarHBondContact O-CG 3.46Å; L714-K718 PolarHBondContact O-N 2.8Å; L714-I771 HydrophobicContact CD1-CB 4.43Å; L714-I771 HydrophobicContact CD1-CG1 4.38Å; L714-I771 HydrophobicContact CD1-CG2 3.88Å; L714-V774 HydrophobicContact CB-CG1 4.19Å; L714-V774 HydrophobicContact CD1-CG1 4.4Å |
| 715 | Q | 92.7 | Very high | 87.4 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 173.2 | -75 | 173.6 | -5.4 | 0 | 0 | 112.1 | L551 I711 Q712 K718 E719 | L551-Q715 HydrophobicContact CD1-CG 3.86Å; I711-Q715 WeakPolarHBondContact O-CB 3.44Å; I711-Q715 VanDerWaalsContact O-CG 3.31Å; I711-Q715 WeakPolarHBondContact O-CG 2.97Å; I711-Q715 PolarHBondContact O-N 3.18Å; Q712-Q715 PolarHBondContact O-N 2.69Å; Q715-K718 PolarHBondContact O-N 2.74Å; Q715-E719 PolarHBondContact O-N 2.67Å; Q715-E719 VanDerWaalsContact O-N 3.16Å |
| 716 | E | 92.9 | Very high | 89.1 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.1 | -52.4 | 173.8 | -179.9 | -175.9 | -116.1 | 0 | 0 | 111 | Q712 K713 K718 E719 V720 | Q712-E716 PolarHBondContact O-N 2.92Å; K713-E716 WeakPolarHBondContact CD-OE2 3.33Å; K713-E716 WeakPolarHBondContact CE-OE2 3.45Å; K713-E716 IonicContact NZ-OE2 2.71Å; K713-E716 PolarHBondContact NZ-OE2 2.93Å; K713-E716 PolarHBondContact O-N 3.4Å; E716-K718 PolarHBondContact O-N 3.09Å; E716-E719 PolarHBondContact O-N 2.95Å; E716-V720 WeakPolarHBondContact O-CG2 3.01Å; E716-V720 PolarHBondContact O-N 1.95Å |
| 717 | L | 93.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | -178.8 | -71.6 | 164.7 | 0 | 0 | 0 | 112.7 | K713 E719 V720 E721 I767 E770 I771 V774 D830 | K713-L717 HydrophobicContact CD-CD1 4.14Å; K713-L717 HydrophobicContact CD-CG 4.1Å; K713-L717 HydrophobicContact CG-CD1 4.01Å; K713-L717 HydrophobicContact CG-CG 4.47Å; K713-L717 WeakPolarHBondContact O-CB 3.48Å; K713-L717 WeakPolarHBondContact O-CD1 3.35Å; K713-L717 VanDerWaalsContact O-CG 3.26Å; K713-L717 WeakPolarHBondContact O-CG 3.32Å; K713-L717 PolarHBondContact O-N 3.25Å; L717-E719 VanDerWaalsContact C-N 3.32Å; L717-E719 PolarHBondContact O-N 3.47Å; L717-V720 PolarHBondContact O-N 3.45Å; L717-E721 PolarHBondContact O-N 3.21Å; L717-I767 HydrophobicContact CB-CG2 4.29Å; L717-I767 HydrophobicContact CD2-CG2 4.18Å; L717-I767 WeakPolarHBondContact O-CG2 3.47Å; L717-E770 HydrophobicContact CD1-CB 4.45Å; L717-E770 HydrophobicContact CD1-CG 3.79Å; L717-E770 HydrophobicContact CD2-CG 4.16Å; L717-I771 HydrophobicContact CB-CD1 4Å; L717-I771 HydrophobicContact CB-CG1 3.55Å; L717-I771 HydrophobicContact CD1-CG1 4.18Å; L717-I771 HydrophobicContact CG-CG1 4.44Å; L717-V774 HydrophobicContact CD1-CG2 3.7Å; L717-D830 HydrophobicContact CD2-CB 3.66Å; L717-D830 WeakPolarHBondContact CD2-OD2 3.45Å |
| 718 | K | 94.3 | Very high | 91.5 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 32% | 0.317 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 176.6 | -76.9 | -172.2 | 177.2 | -169.6 | 0 | 112.1 | L551 L714 Q715 E716 E721 R722 I771 | L551-K718 HydrophobicContact CD2-CD 4.29Å; L714-K718 WeakPolarHBondContact O-CB 3.41Å; L714-K718 WeakPolarHBondContact O-CG 3.46Å; L714-K718 PolarHBondContact O-N 2.8Å; Q715-K718 PolarHBondContact O-N 2.74Å; E716-K718 PolarHBondContact O-N 3.09Å; K718-E721 PolarHBondContact O-N 3.41Å; K718-R722 PolarHBondContact O-N 3.31Å; K718-I771 HydrophobicContact CG-CD1 4.12Å |
| 719 | E | 94.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 174.8 | 174 | 58.3 | -169.9 | 0 | 0 | 112 | Q715 E716 L717 E721 R722 V723 | Q715-E719 PolarHBondContact O-N 2.67Å; Q715-E719 VanDerWaalsContact O-N 3.16Å; E716-E719 PolarHBondContact O-N 2.95Å; L717-E719 VanDerWaalsContact C-N 3.32Å; L717-E719 PolarHBondContact O-N 3.47Å; E719-E721 VanDerWaalsContact C-N 3.34Å; E719-E721 PolarHBondContact O-N 2.63Å; E719-R722 WeakPolarHBondContact O-CB 3.31Å; E719-R722 PolarHBondContact O-N 3.39Å; E719-R722 IonicContact OE1-CZ 3.34Å; E719-R722 IonicContact OE1-NE 3.16Å; E719-R722 IonicContact OE1-NH2 3.82Å; E719-R722 PolarHBondContact OE1-NH2 2.77Å; E719-R722 IonicContact OE2-CZ 2.69Å; E719-R722 IonicContact OE2-NE 3.93Å; E719-R722 PolarHBondContact OE2-NE 2.88Å; E719-R722 IonicContact OE2-NH2 3.42Å; E719-R722 PolarHBondContact OE2-NH2 2.92Å; E719-V723 WeakPolarHBondContact O-CG2 3.47Å; E719-V723 PolarHBondContact O-N 3.31Å |
| 720 | V | 93.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 34% | 0.339 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66 | -37 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | E716 L717 R722 V723 Q724 I767 | E716-V720 WeakPolarHBondContact O-CG2 3.01Å; E716-V720 PolarHBondContact O-N 1.95Å; L717-V720 PolarHBondContact O-N 3.45Å; V720-R722 PolarHBondContact O-N 2.87Å; V720-V723 PolarHBondContact O-N 2.91Å; V720-Q724 WeakPolarHBondContact O-CG 3.44Å; V720-Q724 PolarHBondContact O-N 2.87Å; V720-I767 HydrophobicContact CB-CD1 4.26Å; V720-I767 HydrophobicContact CG1-CD1 3.58Å; V720-I767 HydrophobicContact CG1-CG1 4.5Å |
| 721 | E | 95.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 16% | 0.159 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 173.4 | -158.5 | -147.9 | 151.9 | 0 | 0 | 111.4 | L717 K718 E719 V723 Q724 L725 R764 I767 I771 | L717-E721 PolarHBondContact O-N 3.21Å; K718-E721 PolarHBondContact O-N 3.41Å; E719-E721 VanDerWaalsContact C-N 3.34Å; E719-E721 PolarHBondContact O-N 2.63Å; E721-V723 VanDerWaalsContact C-N 3.25Å; E721-V723 PolarHBondContact O-N 3.38Å; E721-Q724 PolarHBondContact O-N 3.39Å; E721-Q724 VanDerWaalsContact O-N 3.11Å; E721-L725 PolarHBondContact O-N 3.35Å; E721-R764 HydrophobicContact CG-CG 3.84Å; E721-R764 IonicContact OE1-CZ 3.38Å; E721-R764 IonicContact OE1-NE 2.71Å; E721-R764 PolarHBondContact OE1-NE 3.01Å; E721-R764 IonicContact OE1-NH2 3.17Å; E721-R764 PolarHBondContact OE1-NH2 2.83Å; E721-I767 HydrophobicContact CB-CG2 3.85Å; E721-I767 HydrophobicContact CG-CG2 4.3Å; E721-I771 HydrophobicContact CB-CD1 4.4Å |
| 722 | R | 94.7 | Very high | 93.5 | Very high | 118 Ų | 118 | 46.9 Ų | 46.9 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 175.8 | -166.1 | -162.4 | 63.8 | 68 | 2.5 | 112.1 | K718 E719 V720 E726 | K718-R722 PolarHBondContact O-N 3.31Å; E719-R722 WeakPolarHBondContact O-CB 3.31Å; E719-R722 PolarHBondContact O-N 3.39Å; E719-R722 IonicContact OE1-CZ 3.34Å; E719-R722 IonicContact OE1-NE 3.16Å; E719-R722 IonicContact OE1-NH2 3.82Å; E719-R722 PolarHBondContact OE1-NH2 2.77Å; E719-R722 IonicContact OE2-CZ 2.69Å; E719-R722 IonicContact OE2-NE 3.93Å; E719-R722 PolarHBondContact OE2-NE 2.88Å; E719-R722 IonicContact OE2-NH2 3.42Å; E719-R722 PolarHBondContact OE2-NH2 2.92Å; V720-R722 PolarHBondContact O-N 2.87Å; R722-E726 PolarHBondContact O-N 3.37Å |
| 723 | V | 94.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -44.1 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | P516 E719 V720 E721 L725 E726 H727 | P516-V723 HydrophobicContact CB-CG1 4.21Å; P516-V723 HydrophobicContact CB-CG2 4.14Å; P516-V723 HydrophobicContact CG-CG2 3.9Å; E719-V723 WeakPolarHBondContact O-CG2 3.47Å; E719-V723 PolarHBondContact O-N 3.31Å; V720-V723 PolarHBondContact O-N 2.91Å; E721-V723 VanDerWaalsContact C-N 3.25Å; E721-V723 PolarHBondContact O-N 3.38Å; V723-L725 PolarHBondContact O-N 2.86Å; V723-E726 PolarHBondContact O-N 3.49Å; V723-H727 PolarHBondContact O-N 3.25Å |
| 724 | Q | 93.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -34.4 | 177.4 | -57.5 | -47.2 | -27.7 | 0 | 0 | 112.9 | V720 E721 E726 H727 I728 K763 R764 I767 | V720-Q724 WeakPolarHBondContact O-CG 3.44Å; V720-Q724 PolarHBondContact O-N 2.87Å; E721-Q724 PolarHBondContact O-N 3.39Å; E721-Q724 VanDerWaalsContact O-N 3.11Å; Q724-E726 VanDerWaalsContact C-N 3.32Å; Q724-E726 PolarHBondContact O-N 2.86Å; Q724-H727 WeakPolarHBondContact O-CB 3.41Å; Q724-H727 PolarHBondContact O-N 3.11Å; Q724-H727 PolarHBondContact OE1-ND1 3.14Å; Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 3.24Å; Q724-K763 HydrophobicContact CG-CB 4.1Å; Q724-R764 HydrophobicContact CB-CB 4.1Å; Q724-I767 HydrophobicContact CG-CD1 3.71Å |
| 725 | L | 95.1 | Very high | 93.9 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.1 | -43.7 | 172.2 | -85.6 | 167.1 | 0 | 0 | 0 | 112.2 | E721 V723 I728 H729 | E721-L725 PolarHBondContact O-N 3.35Å; V723-L725 PolarHBondContact O-N 2.86Å; L725-I728 WeakPolarHBondContact O-CB 3.48Å; L725-I728 PolarHBondContact O-N 3.16Å; L725-H729 PolarHBondContact O-N 3.04Å; L725-H729 VanDerWaalsContact O-N 3.08Å; L725-H729 PolarHBondContact O-ND1 3Å; L725-H729 VanDerWaalsContact O-ND1 3.07Å |
| 726 | E | 94.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.8 | -33.7 | 176.5 | -179.6 | 49.1 | -153.8 | 0 | 0 | 112 | R722 V723 Q724 I728 H729 Q730 R733 | R722-E726 PolarHBondContact O-N 3.37Å; V723-E726 PolarHBondContact O-N 3.49Å; Q724-E726 VanDerWaalsContact C-N 3.32Å; Q724-E726 PolarHBondContact O-N 2.86Å; E726-I728 PolarHBondContact O-N 3.19Å; E726-H729 PolarHBondContact O-N 2.83Å; E726-H729 IonicContact OE2-ND1 3.26Å; E726-Q730 VanDerWaalsContact CG-NE2 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.47Å; E726-Q730 VanDerWaalsContact O-CD 3.24Å; E726-Q730 WeakPolarHBondContact O-CG 3.39Å; E726-Q730 PolarHBondContact O-N 2.77Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.15Å; E726-Q730 PolarHBondContact OE1-NE2 2.79Å; E726-R733 IonicContact OE1-NH1 3.58Å; E726-R733 PolarHBondContact OE1-NH1 3Å |
| 727 | H | 93.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 168.7 | -66.8 | 160.5 | 0 | 0 | 0 | 112.9 | V723 Q724 Q730 A731 A760 | V723-H727 PolarHBondContact O-N 3.25Å; Q724-H727 WeakPolarHBondContact O-CB 3.41Å; Q724-H727 PolarHBondContact O-N 3.11Å; Q724-H727 PolarHBondContact OE1-ND1 3.14Å; H727-Q730 PolarHBondContact O-N 3.4Å; H727-A731 WeakPolarHBondContact O-CB 3.44Å; H727-A731 PolarHBondContact O-N 2.77Å; H727-A760 HydrophobicContact CB-CB 3.78Å |
| 728 | I | 95.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -52.8 | 174.6 | -70.2 | 165.4 | 0 | 0 | 0 | 109.8 | Q724 L725 E726 Q730 A731 S732 L757 A760 R764 I911 | Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 3.24Å; L725-I728 WeakPolarHBondContact O-CB 3.48Å; L725-I728 PolarHBondContact O-N 3.16Å; E726-I728 PolarHBondContact O-N 3.19Å; I728-Q730 PolarHBondContact O-N 2.86Å; I728-A731 PolarHBondContact O-N 2.72Å; I728-A731 VanDerWaalsContact O-N 3.16Å; I728-S732 PolarHBondContact O-N 3.22Å; I728-S732 PolarHBondContact O-OG 3.05Å; I728-L757 HydrophobicContact CB-CD1 4.41Å; I728-L757 HydrophobicContact CG2-CD1 3.9Å; I728-A760 HydrophobicContact CG1-CB 3.67Å; I728-R764 HydrophobicContact CD1-CB 4.13Å; I728-I911 HydrophobicContact CG2-CG2 3.72Å |
| 729 | H | 95 | Very high | 92.9 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.7 | -39.4 | 177.5 | -65.4 | 133.4 | 0 | 0 | 0 | 112.7 | L725 E726 R733 | L725-H729 PolarHBondContact O-N 3.04Å; L725-H729 VanDerWaalsContact O-N 3.08Å; L725-H729 PolarHBondContact O-ND1 3Å; L725-H729 VanDerWaalsContact O-ND1 3.07Å; E726-H729 PolarHBondContact O-N 2.83Å; E726-H729 IonicContact OE2-ND1 3.26Å; H729-R733 WeakPolarHBondContact O-CB 3.41Å; H729-R733 VanDerWaalsContact O-CD 3.29Å; H729-R733 WeakPolarHBondContact O-CD 3.49Å; H729-R733 WeakPolarHBondContact O-CG 3.33Å; H729-R733 PolarHBondContact O-N 3.46Å |
| 730 | Q | 93.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -42 | 179 | -69.2 | 162.6 | 2.7 | 0 | 0 | 112.4 | F517 E726 H727 I728 R733 A734 | F517-Q730 HydrophobicContact CE1-CG 4.09Å; F517-Q730 HydrophobicContact CE2-CG 4.35Å; F517-Q730 VanDerWaalsContact CE2-NE2 3.34Å; F517-Q730 HydrophobicContact CZ-CB 4.31Å; F517-Q730 HydrophobicContact CZ-CG 3.63Å; E726-Q730 VanDerWaalsContact CG-NE2 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.47Å; E726-Q730 VanDerWaalsContact O-CD 3.24Å; E726-Q730 WeakPolarHBondContact O-CG 3.39Å; E726-Q730 PolarHBondContact O-N 2.77Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.15Å; E726-Q730 PolarHBondContact OE1-NE2 2.79Å; H727-Q730 PolarHBondContact O-N 3.4Å; I728-Q730 PolarHBondContact O-N 2.86Å; Q730-R733 PolarHBondContact O-N 3.07Å; Q730-A734 PolarHBondContact O-N 3.32Å |
| 731 | A | 94.6 | Very high | 92 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.8 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H727 I728 R733 A734 I735 A756 L757 | H727-A731 WeakPolarHBondContact O-CB 3.44Å; H727-A731 PolarHBondContact O-N 2.77Å; I728-A731 PolarHBondContact O-N 2.72Å; I728-A731 VanDerWaalsContact O-N 3.16Å; A731-R733 VanDerWaalsContact C-N 3.32Å; A731-R733 PolarHBondContact O-N 3.45Å; A731-A734 WeakPolarHBondContact O-CB 3.26Å; A731-A734 PolarHBondContact O-N 3.22Å; A731-A734 VanDerWaalsContact O-N 3.08Å; A731-I735 WeakPolarHBondContact O-CG1 3.33Å; A731-I735 PolarHBondContact O-N 3.32Å; A731-A756 HydrophobicContact CB-CB 4.31Å; A731-L757 HydrophobicContact CB-CB 3.64Å; A731-L757 HydrophobicContact CB-CD1 4.21Å |
| 732 | S | 94.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -38.7 | 172.5 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | I728 A734 I735 N736 L757 S912 | I728-S732 PolarHBondContact O-N 3.22Å; I728-S732 PolarHBondContact O-OG 3.05Å; S732-A734 PolarHBondContact O-N 3.11Å; S732-I735 PolarHBondContact O-N 3.11Å; S732-N736 WeakPolarHBondContact O-CB 3.44Å; S732-N736 PolarHBondContact O-N 3.15Å; S732-N736 PolarHBondContact O-ND2 2.69Å; S732-L757 WeakPolarHBondContact OG-CD1 3.46Å; S732-S912 PolarHBondContact OG-O 2.93Å; S732-S912 VanDerWaalsContact OG-O 3.12Å |
| 733 | R | 93.1 | Very high | 90.4 | Very high | 106 Ų | 106 | 48.4 Ų | 48.4 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 171.3 | -75.1 | 165.1 | -168.4 | 156.2 | 7.5 | 111.9 | E726 H729 Q730 A731 L737 | E726-R733 IonicContact OE1-NH1 3.58Å; E726-R733 PolarHBondContact OE1-NH1 3Å; H729-R733 WeakPolarHBondContact O-CB 3.41Å; H729-R733 VanDerWaalsContact O-CD 3.29Å; H729-R733 WeakPolarHBondContact O-CD 3.49Å; H729-R733 WeakPolarHBondContact O-CG 3.33Å; H729-R733 PolarHBondContact O-N 3.46Å; Q730-R733 PolarHBondContact O-N 3.07Å; A731-R733 VanDerWaalsContact C-N 3.32Å; A731-R733 PolarHBondContact O-N 3.45Å; R733-L737 WeakPolarHBondContact O-CG 3.23Å; R733-L737 PolarHBondContact O-N 3.48Å; R733-L737 VanDerWaalsContact O-N 3.08Å |
| 734 | A | 92.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q730 A731 S732 N736 L737 C738 A753 | Q730-A734 PolarHBondContact O-N 3.32Å; A731-A734 WeakPolarHBondContact O-CB 3.26Å; A731-A734 PolarHBondContact O-N 3.22Å; A731-A734 VanDerWaalsContact O-N 3.08Å; S732-A734 PolarHBondContact O-N 3.11Å; A734-N736 PolarHBondContact O-N 3.48Å; A734-L737 WeakPolarHBondContact O-CB 3.45Å; A734-L737 PolarHBondContact O-N 3.4Å; A734-C738 PolarHBondContact O-N 3.16Å; A734-A753 HydrophobicContact CB-CB 4.04Å |
| 735 | I | 91 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 174.1 | -69.3 | 157.9 | 0 | 0 | 0 | 110.5 | A731 S732 L737 C738 L739 A753 Q754 L757 | A731-I735 WeakPolarHBondContact O-CG1 3.33Å; A731-I735 PolarHBondContact O-N 3.32Å; S732-I735 PolarHBondContact O-N 3.11Å; I735-L737 VanDerWaalsContact C-N 3.25Å; I735-L737 PolarHBondContact O-N 2.93Å; I735-C738 PolarHBondContact O-N 3.4Å; I735-L739 HydrophobicContact CG2-CD1 3.74Å; I735-L739 HydrophobicContact CG2-CG 4.14Å; I735-L739 WeakPolarHBondContact O-CG 3.26Å; I735-L739 PolarHBondContact O-N 3.02Å; I735-A753 HydrophobicContact CG1-CB 3.88Å; I735-Q754 HydrophobicContact CD1-CG 4.4Å; I735-Q754 HydrophobicContact CG1-CG 4.28Å; I735-L757 HydrophobicContact CD1-CB 3.82Å; I735-L757 HydrophobicContact CD1-CD2 3.36Å; I735-L757 HydrophobicContact CD1-CG 4.23Å |
| 736 | N | 90.2 | Very high | 88 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -30.5 | 179.6 | -71 | -24.5 | 0 | 0 | 0 | 112.7 | S732 A734 S740 A910 S912 | S732-N736 WeakPolarHBondContact O-CB 3.44Å; S732-N736 PolarHBondContact O-N 3.15Å; S732-N736 PolarHBondContact O-ND2 2.69Å; A734-N736 PolarHBondContact O-N 3.48Å; N736-S740 VanDerWaalsContact O-CB 3.31Å; N736-S740 WeakPolarHBondContact O-CB 3.39Å; N736-S740 PolarHBondContact O-N 3.4Å; N736-S740 VanDerWaalsContact O-N 3.1Å; N736-S740 PolarHBondContact O-OG 2.74Å; N736-A910 PolarHBondContact ND2-O 2.89Å; N736-S912 VanDerWaalsContact CG-OG 3.22Å; N736-S912 PolarHBondContact ND2-OG 3.3Å; N736-S912 PolarHBondContact OD1-OG 3.12Å |
| 737 | L | 89.6 | Confident | 87.7 | Confident | 98 Ų | 98 | 52.6 Ų | 52.6 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.5 | -46.5 | 169.7 | -73.3 | 167.7 | 0 | 0 | 0 | 112 | R733 A734 I735 S740 V741 | R733-L737 WeakPolarHBondContact O-CG 3.23Å; R733-L737 PolarHBondContact O-N 3.48Å; R733-L737 VanDerWaalsContact O-N 3.08Å; A734-L737 WeakPolarHBondContact O-CB 3.45Å; A734-L737 PolarHBondContact O-N 3.4Å; I735-L737 VanDerWaalsContact C-N 3.25Å; I735-L737 PolarHBondContact O-N 2.93Å; L737-S740 PolarHBondContact O-N 3.5Å; L737-S740 PolarHBondContact O-OG 3.23Å; L737-V741 PolarHBondContact O-N 3.42Å |
| 738 | C | 88.1 | Confident | 87.4 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.9 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | A734 I735 S740 V741 F744 E750 | A734-C738 PolarHBondContact O-N 3.16Å; I735-C738 PolarHBondContact O-N 3.4Å; C738-S740 VanDerWaalsContact C-N 3.31Å; C738-S740 PolarHBondContact O-N 3.24Å; C738-V741 CarbonylContact O-C 3.54Å; C738-V741 PolarHBondContact O-N 3.48Å; C738-F744 HydrophobicContact CB-CB 3.99Å; C738-E750 HydrophobicContact CB-CB 4Å; C738-E750 HydrophobicContact CB-CG 4.09Å |
| 739 | L | 85.2 | Confident | 87.2 | Confident | 85 Ų | 85 | 57.1 Ų | 57.1 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 175.4 | -67.4 | 175.5 | 0 | 0 | 0 | 112.6 | I735 V741 E750 | I735-L739 HydrophobicContact CG2-CD1 3.74Å; I735-L739 HydrophobicContact CG2-CG 4.14Å; I735-L739 WeakPolarHBondContact O-CG 3.26Å; I735-L739 PolarHBondContact O-N 3.02Å; L739-V741 VanDerWaalsContact C-N 3.26Å; L739-V741 PolarHBondContact O-N 3.44Å; L739-E750 WeakPolarHBondContact CD2-OE1 3.09Å |
| 740 | S | 84.4 | Confident | 87 | Confident | 86 Ų | 86 | 55.5 Ų | 55.5 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.4 | -16.7 | 177.9 | 76.7 | 0 | 0 | 0 | 0 | 114.4 | N736 L737 C738 | N736-S740 VanDerWaalsContact O-CB 3.31Å; N736-S740 WeakPolarHBondContact O-CB 3.39Å; N736-S740 PolarHBondContact O-N 3.4Å; N736-S740 VanDerWaalsContact O-N 3.1Å; N736-S740 PolarHBondContact O-OG 2.74Å; L737-S740 PolarHBondContact O-N 3.5Å; L737-S740 PolarHBondContact O-OG 3.23Å; C738-S740 VanDerWaalsContact C-N 3.31Å; C738-S740 PolarHBondContact O-N 3.24Å |
| 741 | V | 84.7 | Confident | 86.9 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 35% | 0.345 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -123.1 | 101 | -176.5 | -178 | 0 | 0 | 0 | 0 | 109.6 | L737 C738 L739 N743 F744 | L737-V741 PolarHBondContact O-N 3.42Å; C738-V741 CarbonylContact O-C 3.54Å; C738-V741 PolarHBondContact O-N 3.48Å; L739-V741 VanDerWaalsContact C-N 3.26Å; L739-V741 PolarHBondContact O-N 3.44Å; V741-N743 HydrophobicContact CG1-CB 4.39Å; V741-N743 PolarHBondContact O-N 3.05Å; V741-F744 HydrophobicContact CB-CD2 3.94Å; V741-F744 HydrophobicContact CG1-CD2 3.71Å; V741-F744 HydrophobicContact CG1-CE2 4.13Å; V741-F744 PolarHBondContact O-N 3.21Å |
| 742 | F | 75.8 | Confident | 86.8 | Confident | 174 Ų | 174 | 58 Ų | 58 | 76% | 0.763 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -40.6 | -40.1 | -178.1 | -173.9 | -95.9 | 0 | 0 | 0 | 114.9 | F744 R745 | F742-F744 PolarHBondContact O-N 2.87Å; F742-F744 VanDerWaalsContact O-N 3.11Å; F742-R745 PolarHBondContact O-N 3.4Å; F742-R745 VanDerWaalsContact O-N 3.13Å |
| 743 | N | 79.7 | Confident | 86.7 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -63.8 | -12.7 | 178.9 | -66.8 | -14 | 0 | 0 | 0 | 115.1 | V741 R877 | V741-N743 HydrophobicContact CG1-CB 4.39Å; V741-N743 PolarHBondContact O-N 3.05Å; N743-R877 VanDerWaalsContact O-CZ 3.31Å; N743-R877 PolarHBondContact O-NH1 3.32Å; N743-R877 PolarHBondContact O-NH2 3.49Å |
| 744 | F | 79.2 | Confident | 86.8 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -104 | -9.6 | 174.9 | -70.8 | -82.7 | 0 | 0 | 0 | 114.1 | C496 A497 C738 V741 F742 G746 S747 E749 | C496-F744 HydrophobicContact CB-CE2 3.95Å; C496-F744 HydrophobicContact CB-CZ 4.03Å; A497-F744 HydrophobicContact CB-CE1 4.38Å; A497-F744 HydrophobicContact CB-CZ 4.15Å; C738-F744 HydrophobicContact CB-CB 3.99Å; V741-F744 HydrophobicContact CB-CD2 3.94Å; V741-F744 HydrophobicContact CG1-CD2 3.71Å; V741-F744 HydrophobicContact CG1-CE2 4.13Å; V741-F744 PolarHBondContact O-N 3.21Å; F742-F744 PolarHBondContact O-N 2.87Å; F742-F744 VanDerWaalsContact O-N 3.11Å; F744-G746 PolarHBondContact O-N 3.06Å; F744-S747 VanDerWaalsContact O-CB 3.31Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.13Å; F744-S747 PolarHBondContact O-OG 3.16Å; F744-E749 HydrophobicContact CD1-CB 4.22Å; F744-E749 HydrophobicContact CE1-CG 4.5Å |
| 745 | R | 77.7 | Confident | 86.9 | Confident | 167 Ų | 167 | 54 Ų | 54 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 117.5 | 179.6 | -164.5 | -178.1 | -172 | -150.9 | 2.6 | 111.6 | F742 S747 E750 R877 | F742-R745 PolarHBondContact O-N 3.4Å; F742-R745 VanDerWaalsContact O-N 3.13Å; R745-S747 VanDerWaalsContact C-N 3.29Å; R745-E750 VanDerWaalsContact CA-OE2 3.26Å; R745-E750 WeakPolarHBondContact CA-OE2 3.47Å; R745-R877 PolarHBondContact O-NE 2.84Å; R745-R877 PolarHBondContact O-NH2 3.14Å |
| 746 | G | 77.5 | Confident | 87.1 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 21.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F744 E750 | F744-G746 PolarHBondContact O-N 3.06Å; G746-E750 PolarHBondContact N-OE2 2.93Å |
| 747 | S | 86.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -86.8 | 155.9 | 169.1 | 96.3 | 0 | 0 | 0 | 0 | 110.5 | F744 R745 E749 E750 I751 | F744-S747 VanDerWaalsContact O-CB 3.31Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.13Å; F744-S747 PolarHBondContact O-OG 3.16Å; R745-S747 VanDerWaalsContact C-N 3.29Å; S747-E749 WeakPolarHBondContact CB-OE2 3.38Å; S747-E749 PolarHBondContact O-N 2.92Å; S747-E749 VanDerWaalsContact O-N 3.13Å; S747-E749 PolarHBondContact OG-N 3.26Å; S747-E749 PolarHBondContact OG-OE2 3.37Å; S747-E750 WeakPolarHBondContact O-CB 3.49Å; S747-E750 PolarHBondContact O-N 2.82Å; S747-I751 PolarHBondContact O-N 2.77Å |
| 748 | P | 88.5 | Confident | 87.6 | Confident | 85 Ų | 85 | 47 Ų | 47 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.1 | -28.1 | -180 | 24.5 | -33.9 | 0 | 0 | 0 | 112.2 | E750 I751 D752 | P748-E750 VanDerWaalsContact C-N 3.34Å; P748-E750 PolarHBondContact O-N 2.85Å; P748-I751 PolarHBondContact O-N 3.36Å; P748-D752 WeakPolarHBondContact O-CB 3.25Å; P748-D752 PolarHBondContact O-N 3.31Å |
| 749 | E | 89.8 | Confident | 88 | Confident | 21 Ų | 21 | 47 Ų | 47 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -29.6 | 173.5 | -61 | 87.4 | 173.4 | 0 | 0 | 114 | V500 K501 F744 S747 A753 | V500-E749 HydrophobicContact CG1-CB 3.86Å; V500-E749 HydrophobicContact CG1-CG 4.31Å; K501-E749 WeakPolarHBondContact CE-OE1 3.31Å; K501-E749 IonicContact NZ-OE1 3.63Å; K501-E749 PolarHBondContact NZ-OE1 3Å; F744-E749 HydrophobicContact CD1-CB 4.22Å; F744-E749 HydrophobicContact CE1-CG 4.5Å; S747-E749 WeakPolarHBondContact CB-OE2 3.38Å; S747-E749 PolarHBondContact O-N 2.92Å; S747-E749 VanDerWaalsContact O-N 3.13Å; S747-E749 PolarHBondContact OG-N 3.26Å; S747-E749 PolarHBondContact OG-OE2 3.37Å; E749-A753 WeakPolarHBondContact O-CB 3.47Å; E749-A753 PolarHBondContact O-N 2.93Å |
| 750 | E | 90.7 | Very high | 88.5 | Confident | 19 Ų | 19 | 43 Ų | 43 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.3 | -45.2 | 168.9 | -175 | -175.5 | 179.9 | 0 | 0 | 110.6 | C738 L739 R745 G746 S747 P748 D752 A753 Q754 | C738-E750 HydrophobicContact CB-CB 4Å; C738-E750 HydrophobicContact CB-CG 4.09Å; L739-E750 WeakPolarHBondContact CD2-OE1 3.09Å; R745-E750 VanDerWaalsContact CA-OE2 3.26Å; R745-E750 WeakPolarHBondContact CA-OE2 3.47Å; G746-E750 PolarHBondContact N-OE2 2.93Å; S747-E750 WeakPolarHBondContact O-CB 3.49Å; S747-E750 PolarHBondContact O-N 2.82Å; P748-E750 VanDerWaalsContact C-N 3.34Å; P748-E750 PolarHBondContact O-N 2.85Å; E750-D752 VanDerWaalsContact C-N 3.33Å; E750-D752 PolarHBondContact O-N 2.97Å; E750-A753 PolarHBondContact O-N 3Å; E750-A753 VanDerWaalsContact O-N 3.08Å; E750-Q754 HydrophobicContact CG-CG 4.23Å; E750-Q754 VanDerWaalsContact O-CG 3.24Å; E750-Q754 WeakPolarHBondContact O-CG 3.32Å; E750-Q754 PolarHBondContact O-N 2.99Å |
| 751 | I | 92 | Very high | 89 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | -178.1 | -54.1 | -60.1 | 0 | 0 | 0 | 111.4 | S747 P748 Q754 K755 L837 L872 | S747-I751 PolarHBondContact O-N 2.77Å; P748-I751 PolarHBondContact O-N 3.36Å; I751-Q754 PolarHBondContact O-N 3.23Å; I751-K755 WeakPolarHBondContact O-CB 3.26Å; I751-K755 PolarHBondContact O-N 3Å; I751-L837 HydrophobicContact CG2-CD2 3.35Å; I751-L872 HydrophobicContact CD1-CD2 3.62Å; I751-L872 HydrophobicContact CD1-CG 4.27Å; I751-L872 HydrophobicContact CG2-CD2 4.32Å |
| 752 | D | 92.1 | Very high | 89.5 | Confident | 70 Ų | 70 | 38.7 Ų | 38.7 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -41 | 172.1 | -82.2 | -22.8 | 0 | 0 | 0 | 111.9 | P748 E750 K755 A756 | P748-D752 WeakPolarHBondContact O-CB 3.25Å; P748-D752 PolarHBondContact O-N 3.31Å; E750-D752 VanDerWaalsContact C-N 3.33Å; E750-D752 PolarHBondContact O-N 2.97Å; D752-K755 PolarHBondContact O-N 2.83Å; D752-A756 WeakPolarHBondContact O-CB 3.27Å; D752-A756 PolarHBondContact O-N 3.41Å |
| 753 | A | 93.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A734 I735 E749 E750 A756 L757 | A734-A753 HydrophobicContact CB-CB 4.04Å; I735-A753 HydrophobicContact CG1-CB 3.88Å; E749-A753 WeakPolarHBondContact O-CB 3.47Å; E749-A753 PolarHBondContact O-N 2.93Å; E750-A753 PolarHBondContact O-N 3Å; E750-A753 VanDerWaalsContact O-N 3.08Å; A753-A756 PolarHBondContact O-N 3.18Å; A753-L757 PolarHBondContact O-N 3.46Å |
| 754 | Q | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 171.5 | -67.8 | -79.3 | 2.6 | 0 | 0 | 111.6 | I735 E750 I751 L758 L872 S915 F916 | I735-Q754 HydrophobicContact CD1-CG 4.4Å; I735-Q754 HydrophobicContact CG1-CG 4.28Å; E750-Q754 HydrophobicContact CG-CG 4.23Å; E750-Q754 VanDerWaalsContact O-CG 3.24Å; E750-Q754 WeakPolarHBondContact O-CG 3.32Å; E750-Q754 PolarHBondContact O-N 2.99Å; I751-Q754 PolarHBondContact O-N 3.23Å; Q754-L758 WeakPolarHBondContact O-CB 3.39Å; Q754-L758 PolarHBondContact O-N 2.86Å; Q754-L758 VanDerWaalsContact O-N 3.09Å; Q754-L872 HydrophobicContact CB-CD2 3.86Å; Q754-L872 HydrophobicContact CG-CD2 4.08Å; Q754-S915 PolarHBondContact NE2-OG 2.98Å; Q754-S915 VanDerWaalsContact NE2-OG 3.12Å; Q754-S915 PolarHBondContact OE1-OG 2.78Å; Q754-F916 HydrophobicContact CB-CD2 3.97Å; Q754-F916 HydrophobicContact CB-CE2 3.72Å |
| 755 | K | 95.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 173.1 | 169.5 | 173.3 | 175.5 | 163.7 | 0 | 111.6 | I751 D752 L758 L759 I823 T835 F916 | I751-K755 WeakPolarHBondContact O-CB 3.26Å; I751-K755 PolarHBondContact O-N 3Å; D752-K755 PolarHBondContact O-N 2.83Å; K755-L758 PolarHBondContact O-N 3.01Å; K755-L759 HydrophobicContact CD-CD1 4.38Å; K755-L759 VanDerWaalsContact CE-CD1 3.43Å; K755-L759 HydrophobicContact CG-CD1 3.88Å; K755-L759 WeakPolarHBondContact O-CB 3.41Å; K755-L759 WeakPolarHBondContact O-CG 3.34Å; K755-L759 PolarHBondContact O-N 3.3Å; K755-I823 HydrophobicContact CD-CD1 3.81Å; K755-I823 HydrophobicContact CG-CD1 4.01Å; K755-T835 PolarHBondContact NZ-O 2.95Å; K755-F916 HydrophobicContact CB-CE2 4.2Å; K755-F916 HydrophobicContact CB-CZ 4.44Å |
| 756 | A | 94.5 | Very high | 92.7 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | W507 A731 D752 A753 L759 A760 | W507-A756 HydrophobicContact CD2-CB 3.85Å; W507-A756 HydrophobicContact CE3-CB 4.02Å; W507-A756 HydrophobicContact CH2-CB 3.89Å; W507-A756 HydrophobicContact CZ2-CB 3.67Å; W507-A756 HydrophobicContact CZ3-CB 4.04Å; A731-A756 HydrophobicContact CB-CB 4.31Å; D752-A756 WeakPolarHBondContact O-CB 3.27Å; D752-A756 PolarHBondContact O-N 3.41Å; A753-A756 PolarHBondContact O-N 3.18Å; A756-L759 PolarHBondContact O-N 2.92Å; A756-A760 WeakPolarHBondContact O-CB 3.3Å; A756-A760 PolarHBondContact O-N 3.47Å |
| 757 | L | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -51.6 | 174.3 | 177 | 62 | 0 | 0 | 0 | 111.5 | I728 A731 S732 I735 A753 L759 A760 T761 S912 A914 | I728-L757 HydrophobicContact CB-CD1 4.41Å; I728-L757 HydrophobicContact CG2-CD1 3.9Å; A731-L757 HydrophobicContact CB-CB 3.64Å; A731-L757 HydrophobicContact CB-CD1 4.21Å; S732-L757 WeakPolarHBondContact OG-CD1 3.46Å; I735-L757 HydrophobicContact CD1-CB 3.82Å; I735-L757 HydrophobicContact CD1-CD2 3.36Å; I735-L757 HydrophobicContact CD1-CG 4.23Å; A753-L757 PolarHBondContact O-N 3.46Å; L757-L759 VanDerWaalsContact C-N 3.28Å; L757-L759 PolarHBondContact O-N 2.8Å; L757-A760 PolarHBondContact O-N 3.27Å; L757-T761 WeakPolarHBondContact O-CB 3.33Å; L757-T761 PolarHBondContact O-N 3.05Å; L757-T761 PolarHBondContact O-OG1 2.87Å; L757-T761 VanDerWaalsContact O-OG1 3.13Å; L757-S912 WeakPolarHBondContact CD2-O 3.44Å; L757-A914 HydrophobicContact CD2-CB 4.01Å; L757-A914 HydrophobicContact CG-CB 4.13Å |
| 758 | L | 95.8 | Very high | 94 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.2 | -46.7 | 179.1 | -177.1 | 71.3 | 0 | 0 | 0 | 111.3 | Q754 K755 T761 E762 I823 M825 F870 A914 F916 | Q754-L758 WeakPolarHBondContact O-CB 3.39Å; Q754-L758 PolarHBondContact O-N 2.86Å; Q754-L758 VanDerWaalsContact O-N 3.09Å; K755-L758 PolarHBondContact O-N 3.01Å; L758-T761 PolarHBondContact O-N 2.95Å; L758-E762 HydrophobicContact CD1-CG 4.43Å; L758-E762 WeakPolarHBondContact O-CG 3.34Å; L758-E762 PolarHBondContact O-N 3.08Å; L758-I823 HydrophobicContact CD2-CG2 4.08Å; L758-M825 HydrophobicContact CD2-CE 3.41Å; L758-M825 VanDerWaalsContact CD2-CE 3.41Å; L758-M825 HydrophobicContact CG-CE 3.62Å; L758-F870 HydrophobicContact CD1-CD1 3.88Å; L758-F870 HydrophobicContact CD1-CE1 3.8Å; L758-F870 HydrophobicContact CD1-CG 4.48Å; L758-F870 HydrophobicContact CD1-CZ 4.33Å; L758-F870 HydrophobicContact CD2-CB 3.96Å; L758-F870 HydrophobicContact CD2-CD1 4.01Å; L758-F870 HydrophobicContact CD2-CD2 4.25Å; L758-F870 HydrophobicContact CD2-CG 3.82Å; L758-A914 HydrophobicContact CB-CB 3.95Å; L758-A914 HydrophobicContact CD1-CB 4.06Å; L758-F916 HydrophobicContact CD1-CB 4.12Å; L758-F916 HydrophobicContact CD2-CB 3.67Å; L758-F916 HydrophobicContact CD2-CD1 4.18Å; L758-F916 HydrophobicContact CD2-CD2 4.18Å; L758-F916 HydrophobicContact CD2-CG 3.77Å; L758-F916 HydrophobicContact CG-CB 4.37Å |
| 759 | L | 95.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | -180 | -76.7 | 170.8 | 0 | 0 | 0 | 113.4 | W507 K755 A756 L757 K763 I823 M825 S834 | W507-L759 HydrophobicContact CH2-CB 4.13Å; W507-L759 HydrophobicContact CH2-CD1 3.85Å; W507-L759 HydrophobicContact CZ2-CB 4.39Å; K755-L759 HydrophobicContact CD-CD1 4.38Å; K755-L759 VanDerWaalsContact CE-CD1 3.43Å; K755-L759 HydrophobicContact CG-CD1 3.88Å; K755-L759 WeakPolarHBondContact O-CB 3.41Å; K755-L759 WeakPolarHBondContact O-CG 3.34Å; K755-L759 PolarHBondContact O-N 3.3Å; A756-L759 PolarHBondContact O-N 2.92Å; L757-L759 VanDerWaalsContact C-N 3.28Å; L757-L759 PolarHBondContact O-N 2.8Å; L759-K763 VanDerWaalsContact O-CB 3.26Å; L759-K763 WeakPolarHBondContact O-CB 3.46Å; L759-K763 VanDerWaalsContact O-CG 3.27Å; L759-K763 WeakPolarHBondContact O-CG 3.5Å; L759-K763 PolarHBondContact O-N 2.96Å; L759-I823 HydrophobicContact CD1-CD1 4.41Å; L759-M825 HydrophobicContact CD2-CE 3.41Å; L759-M825 VanDerWaalsContact CD2-CE 3.41Å; L759-M825 HydrophobicContact CD2-SD 3.85Å; L759-M825 HydrophobicContact CG-CE 3.94Å; L759-S834 WeakPolarHBondContact CD2-OG 2.93Å |
| 760 | A | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H727 I728 A756 L757 R764 | H727-A760 HydrophobicContact CB-CB 3.78Å; I728-A760 HydrophobicContact CG1-CB 3.67Å; A756-A760 WeakPolarHBondContact O-CB 3.3Å; A756-A760 PolarHBondContact O-N 3.47Å; L757-A760 PolarHBondContact O-N 3.27Å; A760-R764 WeakPolarHBondContact O-CB 3.49Å; A760-R764 PolarHBondContact O-N 3.33Å |
| 761 | T | 95.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 28.9 Ų | 28.9 | 27% | 0.27 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 176 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | L757 L758 R764 R765 | L757-T761 WeakPolarHBondContact O-CB 3.33Å; L757-T761 PolarHBondContact O-N 3.05Å; L757-T761 PolarHBondContact O-OG1 2.87Å; L757-T761 VanDerWaalsContact O-OG1 3.13Å; L758-T761 PolarHBondContact O-N 2.95Å; T761-R764 PolarHBondContact O-N 3.5Å; T761-R765 PolarHBondContact O-N 2.69Å |
| 762 | E | 94.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.4 | -38 | 178.8 | -65.3 | -48.8 | 137.7 | 0 | 0 | 112.6 | L758 R764 R765 C766 M825 K827 F870 | L758-E762 HydrophobicContact CD1-CG 4.43Å; L758-E762 WeakPolarHBondContact O-CG 3.34Å; L758-E762 PolarHBondContact O-N 3.08Å; E762-R764 VanDerWaalsContact C-N 3.34Å; E762-R764 PolarHBondContact O-N 2.75Å; E762-R765 PolarHBondContact O-N 2.89Å; E762-R765 IonicContact OE1-CZ 3.74Å; E762-R765 IonicContact OE1-NH1 2.77Å; E762-R765 PolarHBondContact OE1-NH1 3.34Å; E762-R765 IonicContact OE2-CZ 2.75Å; E762-R765 IonicContact OE2-NH1 3.21Å; E762-R765 PolarHBondContact OE2-NH1 2.7Å; E762-C766 PolarHBondContact O-N 2.71Å; E762-M825 HydrophobicContact CB-SD 4.12Å; E762-M825 HydrophobicContact CG-SD 4.08Å; E762-K827 IonicContact OE2-NZ 3.66Å; E762-K827 PolarHBondContact OE2-NZ 3.13Å; E762-F870 HydrophobicContact CG-CZ 4.36Å |
| 763 | K | 95.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58 | -46.4 | 170 | -78.4 | -179.4 | -179.7 | -168.5 | 0 | 110.9 | D511 Q724 L759 R765 C766 I767 V832 | D511-K763 IonicContact OD1-NZ 3.49Å; D511-K763 PolarHBondContact OD1-NZ 2.73Å; D511-K763 IonicContact OD2-NZ 3.4Å; Q724-K763 HydrophobicContact CG-CB 4.1Å; L759-K763 VanDerWaalsContact O-CB 3.26Å; L759-K763 WeakPolarHBondContact O-CB 3.46Å; L759-K763 VanDerWaalsContact O-CG 3.27Å; L759-K763 WeakPolarHBondContact O-CG 3.5Å; L759-K763 PolarHBondContact O-N 2.96Å; K763-R765 PolarHBondContact O-N 3.07Å; K763-C766 PolarHBondContact O-N 3.44Å; K763-I767 WeakPolarHBondContact O-CD1 3.37Å; K763-I767 VanDerWaalsContact O-CG1 3.25Å; K763-I767 WeakPolarHBondContact O-CG1 3.23Å; K763-I767 PolarHBondContact O-N 2.97Å; K763-V832 HydrophobicContact CG-CB 3.8Å; K763-V832 HydrophobicContact CG-CG2 3.99Å |
| 764 | R | 95.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 33.3 Ų | 33.3 | 34% | 0.343 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 176.2 | -173.6 | -178 | 175.5 | -124.4 | -11.9 | 112 | E721 Q724 I728 A760 T761 E762 C766 I767 T768 | E721-R764 HydrophobicContact CG-CG 3.84Å; E721-R764 IonicContact OE1-CZ 3.38Å; E721-R764 IonicContact OE1-NE 2.71Å; E721-R764 PolarHBondContact OE1-NE 3.01Å; E721-R764 IonicContact OE1-NH2 3.17Å; E721-R764 PolarHBondContact OE1-NH2 2.83Å; Q724-R764 HydrophobicContact CB-CB 4.1Å; I728-R764 HydrophobicContact CD1-CB 4.13Å; A760-R764 WeakPolarHBondContact O-CB 3.49Å; A760-R764 PolarHBondContact O-N 3.33Å; T761-R764 PolarHBondContact O-N 3.5Å; E762-R764 VanDerWaalsContact C-N 3.34Å; E762-R764 PolarHBondContact O-N 2.75Å; R764-C766 VanDerWaalsContact C-N 3.34Å; R764-C766 PolarHBondContact O-N 3.29Å; R764-I767 PolarHBondContact O-N 3.01Å; R764-T768 PolarHBondContact O-N 2.86Å; R764-T768 PolarHBondContact O-OG1 2.69Å |
| 765 | R | 95.1 | Very high | 93.9 | Very high | 149 Ų | 149 | 34.1 Ų | 34.1 | 56% | 0.562 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -58.8 | -44.4 | 178.3 | -175.4 | -177.9 | -73.6 | 139.5 | -1.8 | 111.6 | T761 E762 K763 T768 A769 | T761-R765 PolarHBondContact O-N 2.69Å; E762-R765 PolarHBondContact O-N 2.89Å; E762-R765 IonicContact OE1-CZ 3.74Å; E762-R765 IonicContact OE1-NH1 2.77Å; E762-R765 PolarHBondContact OE1-NH1 3.34Å; E762-R765 IonicContact OE2-CZ 2.75Å; E762-R765 IonicContact OE2-NH1 3.21Å; E762-R765 PolarHBondContact OE2-NH1 2.7Å; K763-R765 PolarHBondContact O-N 3.07Å; R765-T768 PolarHBondContact O-N 2.89Å; R765-A769 PolarHBondContact O-N 3.43Å |
| 766 | C | 94.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 175 | -79.3 | 0 | 0 | 0 | 0 | 113 | E762 K763 R764 T768 A769 E770 R829 V832 | E762-C766 PolarHBondContact O-N 2.71Å; K763-C766 PolarHBondContact O-N 3.44Å; R764-C766 VanDerWaalsContact C-N 3.34Å; R764-C766 PolarHBondContact O-N 3.29Å; C766-T768 PolarHBondContact O-N 2.97Å; C766-A769 PolarHBondContact O-N 2.82Å; C766-E770 PolarHBondContact O-N 3.11Å; C766-R829 WeakPolarHBondContact CB-O 3.34Å; C766-V832 HydrophobicContact CB-CG2 3.83Å; C766-V832 VanDerWaalsContact SG-CG2 3.52Å |
| 767 | I | 95.1 | Very high | 93 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.1 | -66.6 | 157.1 | 0 | 0 | 0 | 111.3 | L717 V720 E721 Q724 K763 R764 E770 I771 D830 | L717-I767 HydrophobicContact CB-CG2 4.29Å; L717-I767 HydrophobicContact CD2-CG2 4.18Å; L717-I767 WeakPolarHBondContact O-CG2 3.47Å; V720-I767 HydrophobicContact CB-CD1 4.26Å; V720-I767 HydrophobicContact CG1-CD1 3.58Å; V720-I767 HydrophobicContact CG1-CG1 4.5Å; E721-I767 HydrophobicContact CB-CG2 3.85Å; E721-I767 HydrophobicContact CG-CG2 4.3Å; Q724-I767 HydrophobicContact CG-CD1 3.71Å; K763-I767 WeakPolarHBondContact O-CD1 3.37Å; K763-I767 VanDerWaalsContact O-CG1 3.25Å; K763-I767 WeakPolarHBondContact O-CG1 3.23Å; K763-I767 PolarHBondContact O-N 2.97Å; R764-I767 PolarHBondContact O-N 3.01Å; I767-E770 PolarHBondContact O-N 3.17Å; I767-I771 HydrophobicContact CG2-CD1 3.91Å; I767-I771 HydrophobicContact CG2-CG1 4.44Å; I767-I771 WeakPolarHBondContact O-CG1 2.88Å; I767-I771 PolarHBondContact O-N 2.83Å; I767-D830 HydrophobicContact CG1-CB 4.37Å |
| 768 | T | 95.5 | Very high | 92.4 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 178.7 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | R764 R765 C766 E770 I771 D772 | R764-T768 PolarHBondContact O-N 2.86Å; R764-T768 PolarHBondContact O-OG1 2.69Å; R765-T768 PolarHBondContact O-N 2.89Å; C766-T768 PolarHBondContact O-N 2.97Å; T768-E770 VanDerWaalsContact C-N 3.29Å; T768-E770 PolarHBondContact O-N 2.82Å; T768-I771 WeakPolarHBondContact O-CA 3.42Å; T768-I771 WeakPolarHBondContact O-CB 3.08Å; T768-I771 PolarHBondContact O-N 2.95Å; T768-D772 VanDerWaalsContact O-CG 3.32Å; T768-D772 PolarHBondContact O-N 3.43Å |
| 769 | A | 94 | Very high | 91.8 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 47% | 0.471 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -33.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R765 C766 R773 | R765-A769 PolarHBondContact O-N 3.43Å; C766-A769 PolarHBondContact O-N 2.82Å; A769-R773 WeakPolarHBondContact O-CB 3.41Å; A769-R773 PolarHBondContact O-N 2.9Å |
| 770 | E | 91.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.9 | -37.1 | 172.3 | -176.2 | 69.4 | 177.9 | 0 | 0 | 111.8 | L717 C766 I767 T768 R773 V774 F784 D830 | L717-E770 HydrophobicContact CD1-CB 4.45Å; L717-E770 HydrophobicContact CD1-CG 3.79Å; L717-E770 HydrophobicContact CD2-CG 4.16Å; C766-E770 PolarHBondContact O-N 3.11Å; I767-E770 PolarHBondContact O-N 3.17Å; T768-E770 VanDerWaalsContact C-N 3.29Å; T768-E770 PolarHBondContact O-N 2.82Å; E770-R773 PolarHBondContact O-N 2.91Å; E770-R773 IonicContact OE1-CZ 3.52Å; E770-R773 IonicContact OE1-NE 3.62Å; E770-R773 IonicContact OE1-NH2 3.83Å; E770-R773 PolarHBondContact OE1-NH2 2.98Å; E770-R773 IonicContact OE2-CZ 3.61Å; E770-R773 IonicContact OE2-NE 2.69Å; E770-R773 PolarHBondContact OE2-NE 3.47Å; E770-R773 IonicContact OE2-NH2 2.55Å; E770-R773 PolarHBondContact OE2-NH2 3.02Å; E770-V774 HydrophobicContact CG-CG2 4.3Å; E770-V774 WeakPolarHBondContact O-CB 3.42Å; E770-V774 WeakPolarHBondContact O-CG2 3.39Å; E770-V774 PolarHBondContact O-N 3.26Å; E770-F784 WeakPolarHBondContact OE1-CZ 3.48Å; E770-D830 HydrophobicContact CB-CB 4.15Å; E770-D830 HydrophobicContact CG-CB 4.1Å |
| 771 | I | 93.2 | Very high | 89.9 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 172 | -76.2 | 167.9 | 0 | 0 | 0 | 110.7 | L714 L717 K718 E721 I767 T768 R773 V774 T775 | L714-I771 HydrophobicContact CD1-CB 4.43Å; L714-I771 HydrophobicContact CD1-CG1 4.38Å; L714-I771 HydrophobicContact CD1-CG2 3.88Å; L717-I771 HydrophobicContact CB-CD1 4Å; L717-I771 HydrophobicContact CB-CG1 3.55Å; L717-I771 HydrophobicContact CD1-CG1 4.18Å; L717-I771 HydrophobicContact CG-CG1 4.44Å; K718-I771 HydrophobicContact CG-CD1 4.12Å; E721-I771 HydrophobicContact CB-CD1 4.4Å; I767-I771 HydrophobicContact CG2-CD1 3.91Å; I767-I771 HydrophobicContact CG2-CG1 4.44Å; I767-I771 WeakPolarHBondContact O-CG1 2.88Å; I767-I771 PolarHBondContact O-N 2.83Å; T768-I771 WeakPolarHBondContact O-CA 3.42Å; T768-I771 WeakPolarHBondContact O-CB 3.08Å; T768-I771 PolarHBondContact O-N 2.95Å; I771-R773 VanDerWaalsContact C-N 3.35Å; I771-R773 PolarHBondContact O-N 3.33Å; I771-V774 PolarHBondContact O-N 3.49Å; I771-T775 WeakPolarHBondContact O-CB 3.26Å; I771-T775 PolarHBondContact O-N 3.09Å; I771-T775 PolarHBondContact O-OG1 2.98Å |
| 772 | D | 92.7 | Very high | 88.6 | Confident | 101 Ų | 101 | 64.2 Ų | 64.2 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.5 | -62.2 | -33.7 | 0 | 0 | 0 | 110.4 | T768 T775 H776 | T768-D772 VanDerWaalsContact O-CG 3.32Å; T768-D772 PolarHBondContact O-N 3.43Å; D772-T775 PolarHBondContact O-N 3.4Å; D772-H776 WeakPolarHBondContact O-CB 3.27Å; D772-H776 PolarHBondContact O-N 3.04Å |
| 773 | R | 90.1 | Very high | 87.1 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 176.7 | -164.8 | -170.9 | 70.9 | 76.9 | -4.5 | 113 | A769 E770 I771 T775 H776 C777 F784 | A769-R773 WeakPolarHBondContact O-CB 3.41Å; A769-R773 PolarHBondContact O-N 2.9Å; E770-R773 PolarHBondContact O-N 2.91Å; E770-R773 IonicContact OE1-CZ 3.52Å; E770-R773 IonicContact OE1-NE 3.62Å; E770-R773 IonicContact OE1-NH2 3.83Å; E770-R773 PolarHBondContact OE1-NH2 2.98Å; E770-R773 IonicContact OE2-CZ 3.61Å; E770-R773 IonicContact OE2-NE 2.69Å; E770-R773 PolarHBondContact OE2-NE 3.47Å; E770-R773 IonicContact OE2-NH2 2.55Å; E770-R773 PolarHBondContact OE2-NH2 3.02Å; I771-R773 VanDerWaalsContact C-N 3.35Å; I771-R773 PolarHBondContact O-N 3.33Å; R773-T775 VanDerWaalsContact C-N 3.29Å; R773-T775 PolarHBondContact O-N 2.92Å; R773-H776 PolarHBondContact O-N 3.46Å; R773-C777 WeakPolarHBondContact O-CB 3.13Å; R773-C777 PolarHBondContact O-N 3.35Å; R773-C777 PolarHBondContact O-SG 3.37Å; R773-F784 VanDerWaalsContact NH2-CZ 3.3Å |
| 774 | V | 87.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | F710 K713 L714 L717 E770 I771 C777 L778 F784 | F710-V774 HydrophobicContact CD1-CG1 4.31Å; K713-V774 HydrophobicContact CG-CG2 4.46Å; L714-V774 HydrophobicContact CB-CG1 4.19Å; L714-V774 HydrophobicContact CD1-CG1 4.4Å; L717-V774 HydrophobicContact CD1-CG2 3.7Å; E770-V774 HydrophobicContact CG-CG2 4.3Å; E770-V774 WeakPolarHBondContact O-CB 3.42Å; E770-V774 WeakPolarHBondContact O-CG2 3.39Å; E770-V774 PolarHBondContact O-N 3.26Å; I771-V774 PolarHBondContact O-N 3.49Å; V774-C777 PolarHBondContact O-N 3.26Å; V774-L778 WeakPolarHBondContact O-CB 3.46Å; V774-L778 PolarHBondContact O-N 2.84Å; V774-F784 HydrophobicContact CB-CE2 4.06Å; V774-F784 HydrophobicContact CG1-CE2 4.44Å; V774-F784 HydrophobicContact CG2-CD2 4.33Å; V774-F784 HydrophobicContact CG2-CE2 3.3Å; V774-F784 HydrophobicContact CG2-CZ 3.59Å |
| 775 | T | 89.2 | Confident | 83.5 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | -179.1 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | I771 D772 R773 L778 R779 | I771-T775 WeakPolarHBondContact O-CB 3.26Å; I771-T775 PolarHBondContact O-N 3.09Å; I771-T775 PolarHBondContact O-OG1 2.98Å; D772-T775 PolarHBondContact O-N 3.4Å; R773-T775 VanDerWaalsContact C-N 3.29Å; R773-T775 PolarHBondContact O-N 2.92Å; T775-L778 PolarHBondContact O-N 3.02Å; T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 3.12Å |
| 776 | H | 86.8 | Confident | 81.9 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 173.8 | -161.5 | -76.2 | 0 | 0 | 0 | 111.9 | D772 R773 L778 R779 E780 | D772-H776 WeakPolarHBondContact O-CB 3.27Å; D772-H776 PolarHBondContact O-N 3.04Å; R773-H776 PolarHBondContact O-N 3.46Å; H776-L778 VanDerWaalsContact C-N 3.26Å; H776-L778 PolarHBondContact O-N 3.21Å; H776-R779 PolarHBondContact O-N 3.08Å; H776-E780 IonicContact CE1-OE1 3.53Å; H776-E780 PolarHBondContact CE1-OE1 3.39Å; H776-E780 IonicContact CE1-OE2 3.62Å; H776-E780 PolarHBondContact CE1-OE2 3.34Å; H776-E780 IonicContact ND1-OE1 3.44Å; H776-E780 IonicContact ND1-OE2 3.64Å; H776-E780 PolarHBondContact ND1-OE2 3.35Å; H776-E780 WeakPolarHBondContact O-CG 3.33Å; H776-E780 PolarHBondContact O-N 3.02Å |
| 777 | C | 84.7 | Confident | 80.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 10% | 0.101 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -33.1 | 177.3 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | F710 R773 V774 R781 R782 F784 | F710-C777 HydrophobicContact CE1-CB 3.83Å; R773-C777 WeakPolarHBondContact O-CB 3.13Å; R773-C777 PolarHBondContact O-N 3.35Å; R773-C777 PolarHBondContact O-SG 3.37Å; V774-C777 PolarHBondContact O-N 3.26Å; C777-R781 CarbonylContact O-C 3.53Å; C777-R781 WeakPolarHBondContact O-CA 3.41Å; C777-R781 PolarHBondContact O-N 3.23Å; C777-R782 PolarHBondContact O-N 3.22Å; C777-F784 HydrophobicContact CB-CD2 4.29Å |
| 778 | L | 82.3 | Confident | 78.8 | Confident | 42 Ų | 42 | 74.2 Ų | 74.2 | 22% | 0.22 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.1 | -46.8 | 173.8 | 179.9 | 60 | 0 | 0 | 0 | 111.7 | F710 V774 T775 H776 E780 R781 | F710-L778 HydrophobicContact CB-CB 4.41Å; F710-L778 HydrophobicContact CB-CD1 3.94Å; F710-L778 HydrophobicContact CB-CD2 4.27Å; F710-L778 HydrophobicContact CB-CG 4.44Å; F710-L778 HydrophobicContact CD1-CB 3.85Å; F710-L778 HydrophobicContact CD1-CD1 4.33Å; F710-L778 HydrophobicContact CD2-CD1 4.13Å; F710-L778 HydrophobicContact CE1-CB 4.32Å; F710-L778 HydrophobicContact CG-CB 4.25Å; F710-L778 HydrophobicContact CG-CD1 3.92Å; V774-L778 WeakPolarHBondContact O-CB 3.46Å; V774-L778 PolarHBondContact O-N 2.84Å; T775-L778 PolarHBondContact O-N 3.02Å; H776-L778 VanDerWaalsContact C-N 3.26Å; H776-L778 PolarHBondContact O-N 3.21Å; L778-E780 VanDerWaalsContact C-N 3.34Å; L778-E780 PolarHBondContact O-N 3Å; L778-R781 PolarHBondContact O-N 2.85Å |
| 779 | R | 83.2 | Confident | 77.4 | Confident | 121 Ų | 121 | 73.2 Ų | 73.2 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 175.6 | -76.8 | 177.6 | 171.6 | 155 | 3.4 | 111.7 | T775 H776 | T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 3.12Å; H776-R779 PolarHBondContact O-N 3.08Å |
| 780 | E | 80.8 | Confident | 76.6 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.4 | 179.7 | -61.8 | -178 | 120.2 | 0 | 0 | 114.9 | H776 L778 R782 | H776-E780 IonicContact CE1-OE1 3.53Å; H776-E780 PolarHBondContact CE1-OE1 3.39Å; H776-E780 IonicContact CE1-OE2 3.62Å; H776-E780 PolarHBondContact CE1-OE2 3.34Å; H776-E780 IonicContact ND1-OE1 3.44Å; H776-E780 IonicContact ND1-OE2 3.64Å; H776-E780 PolarHBondContact ND1-OE2 3.35Å; H776-E780 WeakPolarHBondContact O-CG 3.33Å; H776-E780 PolarHBondContact O-N 3.02Å; L778-E780 VanDerWaalsContact C-N 3.34Å; L778-E780 PolarHBondContact O-N 3Å; E780-R782 HydrophobicContact CB-CG 3.88Å; E780-R782 PolarHBondContact O-N 2.89Å; E780-R782 IonicContact OE1-CZ 2.63Å; E780-R782 IonicContact OE1-NE 3.67Å; E780-R782 IonicContact OE1-NH1 3.87Å; E780-R782 PolarHBondContact OE1-NH1 2.99Å; E780-R782 IonicContact OE1-NH2 3.77Å; E780-R782 PolarHBondContact OE1-NH2 3.41Å; E780-R782 VanDerWaalsContact OE2-CD 3.3Å; E780-R782 WeakPolarHBondContact OE2-CD 3.46Å; E780-R782 IonicContact OE2-CZ 2.9Å; E780-R782 IonicContact OE2-NE 2.8Å; E780-R782 PolarHBondContact OE2-NE 3.38Å; E780-R782 IonicContact OE2-NH1 2.67Å; E780-R782 PolarHBondContact OE2-NH1 3.23Å |
| 781 | R | 71.3 | Confident | 75.8 | Confident | 221 Ų | 221 | 71.2 Ų | 71.2 | 83% | 0.834 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 28.7 | -170.9 | -55.6 | -178.3 | 179.5 | 172.8 | 1.7 | 114.5 | C777 L778 | C777-R781 CarbonylContact O-C 3.53Å; C777-R781 WeakPolarHBondContact O-CA 3.41Å; C777-R781 PolarHBondContact O-N 3.23Å; L778-R781 PolarHBondContact O-N 2.85Å |
| 782 | R | 66.4 | Low | 75.3 | Confident | 147 Ų | 147 | 70.8 Ų | 70.8 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | trans | -76 | 150.7 | 178.1 | -73.9 | -175.2 | -178.6 | 151.9 | -0.2 | 111.5 | F710 C777 E780 F784 | F710-R782 WeakPolarHBondContact CZ-O 3.27Å; C777-R782 PolarHBondContact O-N 3.22Å; E780-R782 HydrophobicContact CB-CG 3.88Å; E780-R782 PolarHBondContact O-N 2.89Å; E780-R782 IonicContact OE1-CZ 2.63Å; E780-R782 IonicContact OE1-NE 3.67Å; E780-R782 IonicContact OE1-NH1 3.87Å; E780-R782 PolarHBondContact OE1-NH1 2.99Å; E780-R782 IonicContact OE1-NH2 3.77Å; E780-R782 PolarHBondContact OE1-NH2 3.41Å; E780-R782 VanDerWaalsContact OE2-CD 3.3Å; E780-R782 WeakPolarHBondContact OE2-CD 3.46Å; E780-R782 IonicContact OE2-CZ 2.9Å; E780-R782 IonicContact OE2-NE 2.8Å; E780-R782 PolarHBondContact OE2-NE 3.38Å; E780-R782 IonicContact OE2-NH1 2.67Å; E780-R782 PolarHBondContact OE2-NH1 3.23Å; R782-F784 PolarHBondContact O-N 3.25Å | ||
| 783 | I | 63.2 | Low | 75.1 | Confident | 157 Ų | 157 | 66 Ų | 66 | 81% | 0.805 | 32% | 0.316 | S | S | * | . | trans | -65.1 | 117.6 | 179.2 | -60.7 | 177 | 0 | 0 | 0 | 109.5 | ||||
| 784 | F | 57.5 | Low | 75 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | trans | -85.5 | -26.3 | -179.3 | -179.5 | -93.2 | 0 | 0 | 0 | 114 | F710 K713 E770 R773 V774 C777 R782 | F710-F784 HydrophobicContact CD1-CB 4.26Å; F710-F784 HydrophobicContact CD1-CD2 4.47Å; F710-F784 HydrophobicContact CD1-CG 4.45Å; F710-F784 HydrophobicContact CE1-CB 3.54Å; F710-F784 HydrophobicContact CE1-CD2 4.26Å; F710-F784 HydrophobicContact CE1-CG 4.14Å; F710-F784 HydrophobicContact CZ-CB 3.74Å; K713-F784 HydrophobicContact CG-CE1 4.21Å; K713-F784 HydrophobicContact CG-CZ 4.16Å; E770-F784 WeakPolarHBondContact OE1-CZ 3.48Å; R773-F784 VanDerWaalsContact NH2-CZ 3.3Å; V774-F784 HydrophobicContact CB-CE2 4.06Å; V774-F784 HydrophobicContact CG1-CE2 4.44Å; V774-F784 HydrophobicContact CG2-CD2 4.33Å; V774-F784 HydrophobicContact CG2-CE2 3.3Å; V774-F784 HydrophobicContact CG2-CZ 3.59Å; C777-F784 HydrophobicContact CB-CD2 4.29Å; R782-F784 PolarHBondContact O-N 3.25Å | ||
| 785 | G | 59.4 | Low | 75.2 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -62.8 | 144.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T787 | G785-T787 PolarHBondContact O-N 2.99Š|
| 786 | P | 61.2 | Low | 75.2 | Confident | 49 Ų | 49 | 63.2 Ų | 63.2 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 135.8 | 175.9 | 30.8 | -35.6 | 0 | 0 | 0 | 109.8 | E788 L790 P860 | P786-E788 PolarHBondContact O-N 2.73Å; P786-L790 HydrophobicContact CB-CD2 3.66Å; P786-L790 HydrophobicContact CG-CD1 4.25Å; P786-L790 HydrophobicContact CG-CD2 3.76Å; P786-L790 HydrophobicContact CG-CG 4.5Å; P786-P860 HydrophobicContact CB-CB 4.15Å; P786-P860 HydrophobicContact CB-CG 4.25Å |
| 787 | T | 60.7 | Low | 75.3 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 126.7 | 177.4 | -43.8 | 0 | 0 | 0 | 0 | 109.4 | G785 | G785-T787 PolarHBondContact O-N 2.99Š|
| 788 | E | 63.3 | Low | 75.7 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -62.4 | 141.6 | 167.3 | -73.9 | -179.6 | -160.4 | 0 | 0 | 109.5 | P786 | P786-E788 PolarHBondContact O-N 2.73Š|
| 789 | P | 66.4 | Low | 76.2 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | S | Bend | cis | -89.1 | 128 | 16.1 | 33.2 | -36.2 | 0 | 0 | 0 | 115.3 | P861 F1069 V1072 W1073 | P789-P861 HydrophobicContact CG-CG 3.84Å; P789-P861 WeakPolarHBondContact O-CD 3.42Å; P789-F1069 HydrophobicContact CB-CB 4.36Å; P789-F1069 HydrophobicContact CB-CD1 3.38Å; P789-F1069 HydrophobicContact CB-CE1 3.82Å; P789-F1069 HydrophobicContact CB-CG 4Å; P789-F1069 HydrophobicContact CG-CD1 4.38Å; P789-V1072 HydrophobicContact CG-CB 3.95Å; P789-V1072 HydrophobicContact CG-CG1 3.87Å; P789-V1072 HydrophobicContact CG-CG2 4.03Å; P789-W1073 WeakPolarHBondContact O-CZ2 3.4Å; P789-W1073 PolarHBondContact O-NE1 2.72Å |
| 790 | L | 77.1 | Confident | 76.7 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -78 | 140.5 | 173.1 | -70.7 | 179.5 | 0 | 0 | 0 | 113 | P786 C858 L859 P957 H958 T959 | P786-L790 HydrophobicContact CB-CD2 3.66Å; P786-L790 HydrophobicContact CG-CD1 4.25Å; P786-L790 HydrophobicContact CG-CD2 3.76Å; P786-L790 HydrophobicContact CG-CG 4.5Å; L790-C858 HydrophobicContact CD1-CB 4.19Å; L790-C858 HydrophobicContact CD2-CB 4.45Å; L790-C858 WeakPolarHBondContact CD2-O 3.32Å; L790-L859 WeakPolarHBondContact CA-O 3.43Å; L790-P957 CarbonylContact O-C 3.56Å; L790-H958 HydrophobicContact CB-CB 4.28Å; L790-H958 PolarHBondContact O-N 3.11Å; L790-T959 WeakPolarHBondContact CA-OG1 3.19Å; L790-T959 WeakPolarHBondContact CB-OG1 3.4Å; L790-T959 PolarHBondContact N-OG1 2.85Å; L790-T959 PolarHBondContact O-N 2.83Å; L790-T959 VanDerWaalsContact O-N 3.12Å; L790-T959 PolarHBondContact O-OG1 2.8Å |
| 791 | G | 75.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 162.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C858 L859 C956 W1073 | G791-C858 PolarHBondContact O-N 3.05Å; G791-L859 PolarHBondContact N-O 3.32Å; G791-L859 PolarHBondContact O-N 2.97Å; G791-C956 CarbonylContact C-O 3.58Å; G791-C956 WeakPolarHBondContact CA-O 3.43Å; G791-W1073 VanDerWaalsContact CA-CE2 3.5Å; G791-W1073 VanDerWaalsContact CA-CZ2 3.47Å; G791-W1073 VanDerWaalsContact N-CZ2 3.26Å |
| 792 | T | 82.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131 | 168.1 | -71.2 | 0 | 0 | 0 | 0 | 107.9 | Q855 I856 D857 C955 C956 H958 | T792-Q855 HydrophobicContact CG2-CG 3.5Å; T792-Q855 VanDerWaalsContact CG2-CG 3.5Å; T792-I856 CarbonylContact C-O 3.55Å; T792-I856 WeakPolarHBondContact CA-O 3.28Å; T792-D857 WeakPolarHBondContact CB-OD1 3.4Å; T792-D857 WeakPolarHBondContact CG2-OD1 3.15Å; T792-D857 PolarHBondContact OG1-OD1 2.9Å; T792-C955 WeakPolarHBondContact O-CA 3.39Å; T792-C956 PolarHBondContact N-O 3Å; T792-C956 PolarHBondContact O-N 3.33Å; T792-H958 PolarHBondContact OG1-ND1 3.15Å |
| 793 | L | 88.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.8 | 172.3 | 170.7 | 52.4 | 0 | 0 | 0 | 110 | V795 I856 L859 F863 L865 V929 R954 | L793-V795 HydrophobicContact CD1-CG2 4.08Å; L793-V795 HydrophobicContact CD2-CG2 4.46Å; L793-V795 HydrophobicContact CG-CG2 4.06Å; L793-I856 PolarHBondContact N-O 3.4Å; L793-I856 PolarHBondContact O-N 2.81Å; L793-L859 HydrophobicContact CB-CD1 3.48Å; L793-L859 VanDerWaalsContact CB-CD1 3.48Å; L793-L859 HydrophobicContact CD2-CD1 4.05Å; L793-L859 HydrophobicContact CG-CD1 4.4Å; L793-F863 HydrophobicContact CD2-CE2 3.76Å; L793-F863 HydrophobicContact CD2-CZ 3.89Å; L793-L865 HydrophobicContact CD2-CD2 3.73Å; L793-V929 HydrophobicContact CD1-CG2 3.39Å; L793-V929 HydrophobicContact CD2-CG2 3.85Å; L793-V929 HydrophobicContact CG-CG2 4.28Å; L793-R954 WeakPolarHBondContact CA-O 3.47Å; L793-R954 WeakPolarHBondContact CD1-O 3.48Å |
| 794 | T | 87.9 | Confident | 80.1 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.4 | 167.1 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | Y853 F854 S953 R954 | T794-Y853 HydrophobicContact CG2-CD2 4.17Å; T794-Y853 HydrophobicContact CG2-CE1 4.35Å; T794-Y853 HydrophobicContact CG2-CE2 3.34Å; T794-Y853 VanDerWaalsContact CG2-CZ 3.44Å; T794-Y853 WeakPolarHBondContact CG2-OH 3.39Å; T794-F854 CarbonylContact C-O 3.6Å; T794-F854 WeakPolarHBondContact CA-O 3.41Å; T794-S953 CarbonylContact O-C 3.59Å; T794-S953 VanDerWaalsContact O-CA 3.25Å; T794-S953 WeakPolarHBondContact O-CA 3.48Å; T794-R954 PolarHBondContact N-O 3.4Å; T794-R954 PolarHBondContact O-N 3.33Å |
| 795 | V | 91.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130 | 174.7 | 166.4 | 0 | 0 | 0 | 0 | 109.7 | L793 I798 L826 Y853 F854 M951 | L793-V795 HydrophobicContact CD1-CG2 4.08Å; L793-V795 HydrophobicContact CD2-CG2 4.46Å; L793-V795 HydrophobicContact CG-CG2 4.06Å; V795-I798 HydrophobicContact CG1-CD1 4.02Å; V795-I798 HydrophobicContact CG1-CG1 4.17Å; V795-L826 HydrophobicContact CG1-CD2 4.12Å; V795-L826 HydrophobicContact CG2-CD2 4.36Å; V795-Y853 WeakPolarHBondContact O-CA 3.36Å; V795-F854 HydrophobicContact CB-CB 4.43Å; V795-F854 HydrophobicContact CG1-CD2 4.23Å; V795-F854 PolarHBondContact N-O 2.87Å; V795-F854 PolarHBondContact O-N 3Å; V795-M951 HydrophobicContact CB-SD 4.42Å; V795-M951 HydrophobicContact CG1-CG 3.85Å; V795-M951 HydrophobicContact CG1-SD 3.52Å; V795-M951 VanDerWaalsContact CG1-SD 3.52Å; V795-M951 HydrophobicContact CG2-CE 4.4Å; V795-M951 HydrophobicContact CG2-SD 4.04Å |
| 796 | A | 90 | Very high | 82.4 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 169.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I798 Y853 R952 | A796-I798 PolarHBondContact O-N 3.47Å; A796-Y853 HydrophobicContact CB-CD2 4.15Å; A796-R952 PolarHBondContact N-O 3.27Å; A796-R952 PolarHBondContact O-N 2.88Å |
| 797 | H | 87.9 | Confident | 83.4 | Confident | 100 Ų | 100 | 36 Ų | 36 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 54.3 | 173.4 | -57.7 | -82.4 | 0 | 0 | 0 | 113.9 | S799 R952 | H797-S799 PolarHBondContact O-N 3.27Å; H797-R952 HydrophobicContact CB-CB 4.33Å |
| 798 | I | 93.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.4 | 172.7 | -59.9 | 163.7 | 0 | 0 | 0 | 107.6 | V795 A796 L826 T835 F850 F854 F867 F949 L950 M951 | V795-I798 HydrophobicContact CG1-CD1 4.02Å; V795-I798 HydrophobicContact CG1-CG1 4.17Å; A796-I798 PolarHBondContact O-N 3.47Å; I798-L826 HydrophobicContact CD1-CD1 4.18Å; I798-T835 HydrophobicContact CD1-CG2 4.26Å; I798-F850 HydrophobicContact CB-CB 4.28Å; I798-F850 HydrophobicContact CB-CD2 4.42Å; I798-F850 HydrophobicContact CG2-CD2 4.11Å; I798-F850 WeakPolarHBondContact O-CD2 3.15Å; I798-F850 PolarHBondContact O-N 3.17Å; I798-F854 HydrophobicContact CD1-CE2 4.12Å; I798-F867 HydrophobicContact CD1-CE2 4.36Å; I798-F867 HydrophobicContact CG2-CE2 4.14Å; I798-F867 HydrophobicContact CG2-CZ 4.28Å; I798-F949 HydrophobicContact CG2-CD2 4.38Å; I798-L950 CarbonylContact C-O 3.57Å; I798-L950 WeakPolarHBondContact CA-O 3.35Å; I798-M951 HydrophobicContact CG1-CG 4.07Å; I798-M951 HydrophobicContact CG1-SD 4.47Å |
| 799 | S | 92.7 | Very high | 84.8 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 120.6 | -175.4 | -78.5 | 0 | 0 | 0 | 0 | 111.4 | H797 L848 L950 | H797-S799 PolarHBondContact O-N 3.27Å; S799-L848 CarbonylContact C-O 3.52Å; S799-L848 WeakPolarHBondContact CA-O 3.36Å; S799-L950 PolarHBondContact N-O 3.42Å; S799-L950 PolarHBondContact O-N 2.89Å |
| 800 | I | 93.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.8 | -173.3 | -52.4 | -171.1 | 0 | 0 | 0 | 110.1 | F847 L848 F850 L869 V945 F949 | I800-F847 WeakPolarHBondContact O-CA 3.35Å; I800-L848 HydrophobicContact CB-CB 4.27Å; I800-L848 PolarHBondContact N-O 3.33Å; I800-L848 PolarHBondContact O-N 3.16Å; I800-F850 HydrophobicContact CD1-CE2 3.86Å; I800-F850 HydrophobicContact CG1-CE2 4.03Å; I800-L869 HydrophobicContact CD1-CD1 3.5Å; I800-L869 HydrophobicContact CD1-CD2 3.89Å; I800-L869 HydrophobicContact CD1-CG 4.29Å; I800-V945 HydrophobicContact CG2-CB 4.33Å; I800-V945 HydrophobicContact CG2-CG1 3.52Å; I800-V945 HydrophobicContact CG2-CG2 3.89Å; I800-F949 HydrophobicContact CD1-CB 4.43Å; I800-F949 HydrophobicContact CG1-CB 3.83Å |
| 801 | P | 92.1 | Very high | 85 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 132.9 | 175.9 | 25.9 | -32.7 | 0 | 0 | 0 | 112.3 | F847 E946 M948 | P801-F847 HydrophobicContact CB-CD1 3.98Å; P801-F847 HydrophobicContact CB-CE1 3.78Å; P801-F847 HydrophobicContact CG-CE1 4.49Å; P801-E946 HydrophobicContact CB-CB 4.19Å; P801-E946 WeakPolarHBondContact CB-OE2 3.48Å; P801-E946 HydrophobicContact CG-CB 3.99Å; P801-E946 PolarHBondContact O-N 3.43Å; P801-M948 HydrophobicContact CG-CG 3.69Å; P801-M948 HydrophobicContact CG-SD 4.27Å |
| 802 | L | 90.1 | Very high | 84.9 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -87.9 | 146.2 | 170.6 | -63.5 | 175.6 | 0 | 0 | 0 | 110.6 | M804 I807 T840 A843 G846 L848 P944 V945 | L802-M804 PolarHBondContact O-N 3.08Å; L802-I807 HydrophobicContact CB-CD1 4.05Å; L802-I807 HydrophobicContact CB-CG1 4.03Å; L802-T840 HydrophobicContact CD1-CG2 4.26Å; L802-T840 HydrophobicContact CD2-CG2 4.35Å; L802-A843 HydrophobicContact CD1-CB 3.6Å; L802-G846 WeakPolarHBondContact CB-O 3.18Å; L802-G846 PolarHBondContact N-O 3.08Å; L802-L848 HydrophobicContact CD1-CD2 4.4Å; L802-L848 HydrophobicContact CD1-CG 4.32Å; L802-L848 HydrophobicContact CD2-CD1 3.8Å; L802-L848 HydrophobicContact CD2-CG 3.97Å; L802-L848 HydrophobicContact CG-CG 4.15Å; L802-P944 CarbonylContact C-O 3.59Å; L802-P944 VanDerWaalsContact CA-O 3.27Å; L802-P944 WeakPolarHBondContact CA-O 3.38Å; L802-P944 HydrophobicContact CD2-CB 4.42Å; L802-P944 WeakPolarHBondContact CD2-O 3.09Å; L802-V945 HydrophobicContact CD2-CG2 4.46Å |
| 803 | R | 87.3 | Confident | 84.2 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 128 | 177 | -63.3 | -178.5 | -167.1 | 168.3 | 5.8 | 110.7 | E805 Y806 I807 M941 I943 P944 V945 | R803-E805 PolarHBondContact O-N 2.88Å; R803-Y806 WeakPolarHBondContact O-CB 3.49Å; R803-Y806 PolarHBondContact O-N 3.31Å; R803-I807 PolarHBondContact O-N 2.69Å; R803-I807 VanDerWaalsContact O-N 3.09Å; R803-M941 PolarHBondContact NH1-O 3.16Å; R803-M941 PolarHBondContact NH2-O 3.44Å; R803-I943 PolarHBondContact NE-O 2.95Å; R803-I943 PolarHBondContact NH2-O 2.69Å; R803-P944 PolarHBondContact N-O 2.95Å; R803-V945 WeakPolarHBondContact CG-O 3.47Å; R803-V945 PolarHBondContact NE-O 3.17Å; R803-V945 PolarHBondContact NH2-O 2.63Å |
| 804 | M | 84.3 | Confident | 83.3 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -50.8 | -33.1 | 176.5 | -72 | -58.1 | -59.7 | 0 | 0 | 113.9 | L802 I807 R808 | L802-M804 PolarHBondContact O-N 3.08Å; M804-I807 PolarHBondContact O-N 3.01Å; M804-I807 HydrophobicContact SD-CD1 3.99Å; M804-R808 WeakPolarHBondContact O-CB 3.47Å; M804-R808 WeakPolarHBondContact O-CD 3.43Å; M804-R808 WeakPolarHBondContact O-CG 3.45Å; M804-R808 PolarHBondContact O-N 2.68Å |
| 805 | E | 83.3 | Confident | 82.1 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.3 | -32.5 | 178.9 | -161.3 | 62.9 | -172.7 | 0 | 0 | 113.1 | R803 R808 R809 | R803-E805 PolarHBondContact O-N 2.88Å; E805-R808 IonicContact OE2-NH1 2.77Å; E805-R809 WeakPolarHBondContact O-CB 3.44Å; E805-R809 VanDerWaalsContact O-CG 3.32Å; E805-R809 WeakPolarHBondContact O-CG 3.43Å; E805-R809 PolarHBondContact O-N 2.93Å; E805-R809 IonicContact OE1-CZ 2.92Å; E805-R809 IonicContact OE1-NE 3.04Å; E805-R809 PolarHBondContact OE1-NE 2.94Å; E805-R809 IonicContact OE1-NH2 2.8Å; E805-R809 PolarHBondContact OE1-NH2 2.85Å |
| 806 | Y | 82.8 | Confident | 80.9 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 171.2 | 176.2 | -98.5 | 0 | 0 | 0 | 111 | R803 R808 R809 V810 L811 Y820 T840 P944 | R803-Y806 WeakPolarHBondContact O-CB 3.49Å; R803-Y806 PolarHBondContact O-N 3.31Å; Y806-R808 VanDerWaalsContact C-N 3.3Å; Y806-R808 PolarHBondContact O-N 2.96Å; Y806-R809 PolarHBondContact O-N 2.86Å; Y806-V810 HydrophobicContact CD2-CB 3.89Å; Y806-V810 HydrophobicContact CD2-CG1 4.46Å; Y806-V810 HydrophobicContact CD2-CG2 3.62Å; Y806-V810 HydrophobicContact CE2-CB 3.62Å; Y806-V810 HydrophobicContact CE2-CG1 3.71Å; Y806-V810 HydrophobicContact CE2-CG2 3.66Å; Y806-V810 HydrophobicContact CG-CB 4.47Å; Y806-V810 HydrophobicContact CG-CG2 4.45Å; Y806-V810 WeakPolarHBondContact O-CB 3.48Å; Y806-V810 PolarHBondContact O-N 3Å; Y806-L811 PolarHBondContact O-N 2.98Å; Y806-Y820 HydrophobicContact CE2-CD2 4.18Å; Y806-Y820 AromaticContact CE2-CE2 3.93Å; Y806-Y820 HydrophobicContact CE2-CE2 3.93Å; Y806-Y820 WeakPolarHBondContact OH-CD2 3.32Å; Y806-T840 HydrophobicContact CE1-CG2 3.74Å; Y806-T840 PolarHBondContact OH-OG1 3.28Å; Y806-T840 VanDerWaalsContact OH-OG1 3.11Å; Y806-P944 HydrophobicContact CD1-CB 3.54Å; Y806-P944 HydrophobicContact CD1-CG 4.31Å; Y806-P944 HydrophobicContact CD2-CB 3.59Å; Y806-P944 HydrophobicContact CD2-CG 4.3Å; Y806-P944 HydrophobicContact CE1-CB 3.97Å; Y806-P944 HydrophobicContact CE1-CG 4.24Å; Y806-P944 HydrophobicContact CE2-CB 4Å; Y806-P944 HydrophobicContact CE2-CG 4.22Å; Y806-P944 HydrophobicContact CG-CB 3.34Å; Y806-P944 HydrophobicContact CG-CG 4.34Å |
| 807 | I | 81.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -56.5 | -46.4 | 175.9 | -61.8 | 166.8 | 0 | 0 | 0 | 110.2 | L802 R803 M804 L811 L812 G846 | L802-I807 HydrophobicContact CB-CD1 4.05Å; L802-I807 HydrophobicContact CB-CG1 4.03Å; R803-I807 PolarHBondContact O-N 2.69Å; R803-I807 VanDerWaalsContact O-N 3.09Å; M804-I807 PolarHBondContact O-N 3.01Å; M804-I807 HydrophobicContact SD-CD1 3.99Å; I807-L811 PolarHBondContact O-N 3.02Å; I807-L812 HydrophobicContact CG2-CD1 4.06Å; I807-L812 HydrophobicContact CG2-CG 4.15Å; I807-L812 WeakPolarHBondContact O-CB 3.38Å; I807-L812 WeakPolarHBondContact O-CG 3.35Å; I807-L812 PolarHBondContact O-N 2.83Å; I807-G846 VanDerWaalsContact CD1-CA 3.47Å |
| 808 | R | 80.3 | Confident | 79.8 | Confident | 148 Ų | 148 | 62.9 Ų | 62.9 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | I | π-helix | trans | -68.3 | -38.9 | 179.6 | -72.8 | 167.4 | -177.3 | 164.9 | -0 | 114.5 | M804 E805 Y806 P813 | M804-R808 WeakPolarHBondContact O-CB 3.47Å; M804-R808 WeakPolarHBondContact O-CD 3.43Å; M804-R808 WeakPolarHBondContact O-CG 3.45Å; M804-R808 PolarHBondContact O-N 2.68Å; E805-R808 IonicContact OE2-NH1 2.77Å; Y806-R808 VanDerWaalsContact C-N 3.3Å; Y806-R808 PolarHBondContact O-N 2.96Å; R808-P813 WeakPolarHBondContact O-CD 3.47Å |
| 809 | R | 72.9 | Confident | 79.4 | Confident | 178 Ų | 178 | 63.1 Ų | 63.1 | 67% | 0.672 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -91.2 | -27.4 | -173.9 | -68.6 | -174 | -168.7 | -175.9 | 9.9 | 115 | E805 Y806 | E805-R809 WeakPolarHBondContact O-CB 3.44Å; E805-R809 VanDerWaalsContact O-CG 3.32Å; E805-R809 WeakPolarHBondContact O-CG 3.43Å; E805-R809 PolarHBondContact O-N 2.93Å; E805-R809 IonicContact OE1-CZ 2.92Å; E805-R809 IonicContact OE1-NE 3.04Å; E805-R809 PolarHBondContact OE1-NE 2.94Å; E805-R809 IonicContact OE1-NH2 2.8Å; E805-R809 PolarHBondContact OE1-NH2 2.85Å; Y806-R809 PolarHBondContact O-N 2.86Å |
| 810 | V | 73.6 | Confident | 79.3 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -121.9 | -50 | -168.2 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | Y806 G814 | Y806-V810 HydrophobicContact CD2-CB 3.89Å; Y806-V810 HydrophobicContact CD2-CG1 4.46Å; Y806-V810 HydrophobicContact CD2-CG2 3.62Å; Y806-V810 HydrophobicContact CE2-CB 3.62Å; Y806-V810 HydrophobicContact CE2-CG1 3.71Å; Y806-V810 HydrophobicContact CE2-CG2 3.66Å; Y806-V810 HydrophobicContact CG-CB 4.47Å; Y806-V810 HydrophobicContact CG-CG2 4.45Å; Y806-V810 WeakPolarHBondContact O-CB 3.48Å; Y806-V810 PolarHBondContact O-N 3Å; V810-G814 PolarHBondContact O-N 3.44Å |
| 811 | L | 74.9 | Confident | 79.2 | Confident | 50 Ų | 50 | 66 Ų | 66 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -77.9 | -45.8 | -173.2 | -169.8 | 59.9 | 0 | 0 | 0 | 112.9 | Y806 I807 G814 T840 A843 | Y806-L811 PolarHBondContact O-N 2.98Å; I807-L811 PolarHBondContact O-N 3.02Å; L811-G814 PolarHBondContact O-N 2.85Å; L811-T840 WeakPolarHBondContact CD1-O 3.3Å; L811-A843 HydrophobicContact CD2-CB 4.19Å |
| 812 | L | 74.1 | Confident | 79.3 | Confident | 134 Ų | 134 | 65.7 Ų | 65.7 | 70% | 0.702 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -37.9 | 179.9 | -76 | 170.5 | 0 | 0 | 0 | 114.3 | I807 | I807-L812 HydrophobicContact CG2-CD1 4.06Å; I807-L812 HydrophobicContact CG2-CG 4.15Å; I807-L812 WeakPolarHBondContact O-CB 3.38Å; I807-L812 WeakPolarHBondContact O-CG 3.35Å; I807-L812 PolarHBondContact O-N 2.83Å |
| 813 | P | 67.3 | Low | 79.5 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.2 | 172.9 | -21.5 | 36.4 | 0 | 0 | 0 | 113.4 | R808 E815 | R808-P813 WeakPolarHBondContact O-CD 3.47Å; P813-E815 HydrophobicContact CB-CG 4.44Å; P813-E815 PolarHBondContact O-N 2.81Å |
| 814 | G | 68.7 | Low | 79.9 | Confident | 36 Ų | 36 | 62 Ų | 62 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | trans | 76.7 | -12.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V810 L811 G816 K876 | V810-G814 PolarHBondContact O-N 3.44Å; L811-G814 PolarHBondContact O-N 2.85Å; G814-G816 PolarHBondContact O-N 3.35Å; G814-K876 PolarHBondContact O-NZ 2.89Å | ||
| 815 | E | 63.6 | Low | 80.4 | Confident | 176 Ų | 176 | 56.9 Ų | 56.9 | 82% | 0.822 | 29% | 0.289 | S | S | * | . | trans | -70.6 | 9.4 | -179.6 | -61 | 179 | 129.9 | 0 | 0 | 114.3 | P813 A817 | P813-E815 HydrophobicContact CB-CG 4.44Å; P813-E815 PolarHBondContact O-N 2.81Å; E815-A817 PolarHBondContact O-N 2.74Å; E815-A817 VanDerWaalsContact O-N 3.16Å | ||
| 816 | G | 65.2 | Low | 81 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | trans | -70 | 104.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G814 L818 K876 | G814-G816 PolarHBondContact O-N 3.35Å; G816-L818 PolarHBondContact O-N 3.39Å; G816-K876 WeakPolarHBondContact O-CD 3.4Å | ||
| 817 | A | 73 | Confident | 81.6 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -67.2 | -7.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E815 E875 K876 | E815-A817 PolarHBondContact O-N 2.74Å; E815-A817 VanDerWaalsContact O-N 3.16Å; A817-E875 WeakPolarHBondContact O-CA 3.41Å; A817-K876 PolarHBondContact O-N 2.99Å |
| 818 | L | 81.1 | Confident | 82.1 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 40% | 0.398 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125 | -179.3 | -63.4 | 172 | 0 | 0 | 0 | 110.5 | G816 Y820 M873 | G816-L818 PolarHBondContact O-N 3.39Å; L818-Y820 HydrophobicContact CB-CE2 4.34Å; L818-M873 HydrophobicContact CB-CG 4.44Å; L818-M873 HydrophobicContact CD1-SD 3.88Å; L818-M873 HydrophobicContact CD2-CE 4.49Å; L818-M873 HydrophobicContact CD2-CG 4.13Å; L818-M873 HydrophobicContact CD2-SD 4.14Å; L818-M873 HydrophobicContact CG-SD 4.45Å |
| 819 | V | 86.5 | Confident | 82.5 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.9 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | E841 S874 K876 | V819-E841 HydrophobicContact CG1-CG 4.19Å; V819-E841 HydrophobicContact CG2-CG 4.01Å; V819-S874 PolarHBondContact N-O 2.83Å; V819-S874 PolarHBondContact O-N 2.86Å; V819-S874 PolarHBondContact O-OG 2.86Å; V819-K876 HydrophobicContact CG2-CB 4.07Å; V819-K876 HydrophobicContact CG2-CD 4.38Å; V819-K876 HydrophobicContact CG2-CG 4.27Å |
| 820 | Y | 89.9 | Confident | 83.3 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.4 | 173 | -63.4 | -96.5 | 0 | 0 | 0 | 109 | Y806 L818 S839 T840 M873 P944 | Y806-Y820 HydrophobicContact CE2-CD2 4.18Å; Y806-Y820 AromaticContact CE2-CE2 3.93Å; Y806-Y820 HydrophobicContact CE2-CE2 3.93Å; Y806-Y820 WeakPolarHBondContact OH-CD2 3.32Å; L818-Y820 HydrophobicContact CB-CE2 4.34Å; Y820-S839 CarbonylContact O-C 3.55Å; Y820-S839 WeakPolarHBondContact O-CA 3.39Å; Y820-T840 PolarHBondContact N-OG1 3.27Å; Y820-T840 PolarHBondContact O-N 3.34Å; Y820-M873 HydrophobicContact CD1-CB 4.15Å; Y820-M873 HydrophobicContact CD1-CG 4.22Å; Y820-M873 HydrophobicContact CE1-CB 4.11Å; Y820-M873 HydrophobicContact CE1-CG 3.88Å; Y820-M873 HydrophobicContact CE1-SD 3.87Å; Y820-P944 HydrophobicContact CD1-CG 4.48Å; Y820-P944 HydrophobicContact CD2-CG 4.08Å; Y820-P944 HydrophobicContact CE2-CG 4.43Å; Y820-P944 HydrophobicContact CG-CG 4.11Å |
| 821 | H | 92.2 | Very high | 84.2 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.3 | 174.9 | -55.1 | -85.7 | 0 | 0 | 0 | 109.3 | L837 C871 L872 S874 | H821-L837 HydrophobicContact CB-CD1 3.96Å; H821-L837 HydrophobicContact CB-CD2 3.96Å; H821-L837 HydrophobicContact CB-CG 4.02Å; H821-C871 CarbonylContact O-C 3.56Å; H821-C871 VanDerWaalsContact O-CA 3.25Å; H821-C871 WeakPolarHBondContact O-CA 3.43Å; H821-C871 PolarHBondContact O-SG 2.8Å; H821-C871 VanDerWaalsContact O-SG 3.38Å; H821-L872 PolarHBondContact N-O 2.86Å; H821-L872 PolarHBondContact O-N 2.9Å; H821-S874 PolarHBondContact CD2-OG 2.85Å; H821-S874 WeakPolarHBondContact NE2-CB 3.21Å; H821-S874 PolarHBondContact NE2-OG 3.47Å |
| 822 | F | 94 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.1 | -176.3 | -68.9 | -90.7 | 0 | 0 | 0 | 111.6 | T838 T840 L848 F850 L869 F870 C871 V919 I943 P944 V945 | F822-T838 PolarHBondContact N-O 3.03Å; F822-T838 PolarHBondContact O-N 2.95Å; F822-T840 HydrophobicContact CE2-CG2 3.93Å; F822-L848 HydrophobicContact CB-CD1 4.15Å; F822-L848 HydrophobicContact CD1-CD1 4.34Å; F822-L848 HydrophobicContact CD2-CD1 3.37Å; F822-L848 HydrophobicContact CD2-CD2 4.42Å; F822-L848 HydrophobicContact CE2-CD1 3.74Å; F822-L848 HydrophobicContact CG-CD1 3.7Å; F822-L848 HydrophobicContact CZ-CD1 4.35Å; F822-F850 HydrophobicContact CB-CZ 4.05Å; F822-L869 HydrophobicContact CB-CD1 4.38Å; F822-L869 HydrophobicContact CD1-CD1 3.93Å; F822-L869 HydrophobicContact CD1-CD2 4.34Å; F822-L869 HydrophobicContact CD1-CG 4.22Å; F822-F870 WeakPolarHBondContact CA-O 3.45Å; F822-C871 HydrophobicContact CD1-CB 3.78Å; F822-C871 HydrophobicContact CE1-CB 3.65Å; F822-C871 HydrophobicContact CZ-CB 4.3Å; F822-V919 HydrophobicContact CE1-CG2 4.32Å; F822-I943 HydrophobicContact CE1-CG2 3.85Å; F822-I943 HydrophobicContact CZ-CG2 3.9Å; F822-P944 HydrophobicContact CE2-CG 4.47Å; F822-P944 HydrophobicContact CZ-CG 4.12Å; F822-V945 HydrophobicContact CE1-CG2 3.75Å; F822-V945 HydrophobicContact CZ-CG2 3.93Å |
| 823 | I | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.8 | 170.7 | -175.9 | 173.6 | 0 | 0 | 0 | 109 | K755 L758 L759 M825 L837 F870 F916 | K755-I823 HydrophobicContact CD-CD1 3.81Å; K755-I823 HydrophobicContact CG-CD1 4.01Å; L758-I823 HydrophobicContact CD2-CG2 4.08Å; L759-I823 HydrophobicContact CD1-CD1 4.41Å; I823-M825 HydrophobicContact CD1-CE 4.25Å; I823-L837 HydrophobicContact CB-CD1 4.17Å; I823-F870 HydrophobicContact CG2-CB 3.79Å; I823-F870 PolarHBondContact N-O 3.24Å; I823-F870 VanDerWaalsContact N-O 3.07Å; I823-F870 PolarHBondContact O-N 3.5Å; I823-F916 HydrophobicContact CG2-CD1 4.08Å; I823-F916 HydrophobicContact CG2-CE1 3.89Å |
| 824 | C | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.5 | 172.1 | -46.7 | 0 | 0 | 0 | 0 | 109 | S834 T835 F850 F867 E868 | C824-S834 WeakPolarHBondContact O-CA 3.25Å; C824-T835 HydrophobicContact CB-CG2 3.74Å; C824-T835 PolarHBondContact N-OG1 3.1Å; C824-T835 PolarHBondContact O-N 2.8Å; C824-F850 VanDerWaalsContact SG-CE2 3.57Å; C824-F867 HydrophobicContact CB-CE2 3.85Å; C824-F867 HydrophobicContact CB-CZ 3.73Å; C824-E868 CarbonylContact C-O 3.54Å; C824-E868 WeakPolarHBondContact CA-O 3.3Å |
| 825 | M | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145 | 171.1 | -58.4 | -162.6 | -172.7 | 0 | 0 | 110.4 | L758 L759 E762 I823 V832 Y833 F867 E868 F870 | L758-M825 HydrophobicContact CD2-CE 3.41Å; L758-M825 VanDerWaalsContact CD2-CE 3.41Å; L758-M825 HydrophobicContact CG-CE 3.62Å; L759-M825 HydrophobicContact CD2-CE 3.41Å; L759-M825 VanDerWaalsContact CD2-CE 3.41Å; L759-M825 HydrophobicContact CD2-SD 3.85Å; L759-M825 HydrophobicContact CG-CE 3.94Å; E762-M825 HydrophobicContact CB-SD 4.12Å; E762-M825 HydrophobicContact CG-SD 4.08Å; I823-M825 HydrophobicContact CD1-CE 4.25Å; M825-V832 HydrophobicContact CB-CG1 4.47Å; M825-V832 HydrophobicContact SD-CG1 4.1Å; M825-Y833 CarbonylContact C-O 3.57Å; M825-Y833 VanDerWaalsContact CA-O 3.29Å; M825-Y833 WeakPolarHBondContact CA-O 3.33Å; M825-F867 WeakPolarHBondContact O-CA 3.29Å; M825-E868 PolarHBondContact N-O 2.8Å; M825-E868 PolarHBondContact O-N 3.41Å; M825-F870 HydrophobicContact CE-CD2 4.29Å; M825-F870 HydrophobicContact CE-CE2 4.44Å; M825-F870 HydrophobicContact CG-CD2 4.33Å; M825-F870 HydrophobicContact CG-CE2 4.4Å; M825-F870 HydrophobicContact SD-CD2 4.45Å; M825-F870 HydrophobicContact SD-CE2 4.18Å |
| 826 | L | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.2 | 169.3 | -54 | 92.8 | 0 | 0 | 0 | 107.9 | V795 I798 Y833 F854 L865 K866 F867 I924 | V795-L826 HydrophobicContact CG1-CD2 4.12Å; V795-L826 HydrophobicContact CG2-CD2 4.36Å; I798-L826 HydrophobicContact CD1-CD1 4.18Å; L826-Y833 PolarHBondContact N-O 2.86Å; L826-Y833 PolarHBondContact O-N 3.3Å; L826-F854 HydrophobicContact CD1-CD2 3.73Å; L826-F854 HydrophobicContact CD1-CE2 3.55Å; L826-F854 HydrophobicContact CD1-CZ 4.4Å; L826-L865 HydrophobicContact CB-CD1 4.06Å; L826-L865 HydrophobicContact CB-CG 4.43Å; L826-L865 HydrophobicContact CD2-CD2 4Å; L826-K866 CarbonylContact C-O 3.58Å; L826-K866 WeakPolarHBondContact CA-O 3.5Å; L826-F867 HydrophobicContact CD2-CD2 4.21Å; L826-F867 HydrophobicContact CG-CD2 4.05Å; L826-I924 HydrophobicContact CD2-CD1 4.4Å |
| 827 | K | 94.5 | Very high | 91.1 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129 | -170.8 | -57 | 179.8 | -174.9 | 172 | 0 | 110.8 | E762 V832 K866 E868 | E762-K827 IonicContact OE2-NZ 3.66Å; E762-K827 PolarHBondContact OE2-NZ 3.13Å; K827-V832 HydrophobicContact CG-CG1 4.15Å; K827-V832 HydrophobicContact CG-CG2 4.15Å; K827-K866 HydrophobicContact CB-CB 4.4Å; K827-K866 PolarHBondContact N-O 3.2Å; K827-K866 PolarHBondContact O-N 2.88Å; K827-E868 WeakPolarHBondContact CD-OE1 3.23Å; K827-E868 VanDerWaalsContact CE-OE1 3.23Å; K827-E868 WeakPolarHBondContact CE-OE1 3.49Å; K827-E868 WeakPolarHBondContact CE-OE2 3.39Å; K827-E868 IonicContact NZ-OE1 3.55Å; K827-E868 PolarHBondContact NZ-OE1 2.92Å; K827-E868 IonicContact NZ-OE2 3.49Å; K827-E868 PolarHBondContact NZ-OE2 3.02Å |
| 828 | Y | 92.7 | Very high | 92 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 118 | 175.4 | -179.8 | -100.2 | 0 | 0 | 0 | 110.4 | D830 T831 L859 P860 F863 | Y828-D830 PolarHBondContact O-N 2.86Å; Y828-T831 PolarHBondContact N-O 2.89Å; Y828-T831 WeakPolarHBondContact O-CA 3.38Å; Y828-T831 WeakPolarHBondContact O-CB 3.46Å; Y828-T831 PolarHBondContact O-N 3.36Å; Y828-T831 PolarHBondContact O-OG1 2.92Å; Y828-L859 HydrophobicContact CD1-CD2 3.75Å; Y828-L859 HydrophobicContact CD2-CD2 3.91Å; Y828-L859 HydrophobicContact CE1-CD2 3.53Å; Y828-L859 HydrophobicContact CE2-CD2 3.69Å; Y828-L859 HydrophobicContact CG-CD2 3.94Å; Y828-L859 VanDerWaalsContact CZ-CD2 3.5Å; Y828-P860 WeakPolarHBondContact OH-CD 3.41Å; Y828-F863 HydrophobicContact CE2-CB 3.88Å |
| 829 | R | 88.8 | Confident | 92.4 | Very high | 74 Ų | 74 | 28.5 Ų | 28.5 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -124.1 | -173.8 | -59.3 | -176 | -173.9 | -158.8 | -2.5 | 111.5 | C766 T831 | C766-R829 WeakPolarHBondContact CB-O 3.34Å; R829-T831 VanDerWaalsContact C-N 3.32Å |
| 830 | D | 90.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 24% | 0.241 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.4 | 175.5 | 52.9 | -15.9 | 0 | 0 | 0 | 114.2 | K713 L717 I767 E770 Y828 | K713-D830 IonicContact NZ-OD2 2.72Å; K713-D830 PolarHBondContact NZ-OD2 3.34Å; L717-D830 HydrophobicContact CD2-CB 3.66Å; L717-D830 WeakPolarHBondContact CD2-OD2 3.45Å; I767-D830 HydrophobicContact CG1-CB 4.37Å; E770-D830 HydrophobicContact CB-CB 4.15Å; E770-D830 HydrophobicContact CG-CB 4.1Å; Y828-D830 PolarHBondContact O-N 2.86Å |
| 831 | T | 91.8 | Very high | 91.9 | Very high | 48 Ų | 48 | 31.3 Ų | 31.3 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 136.4 | -176.3 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | Y828 R829 | Y828-T831 PolarHBondContact N-O 2.89Å; Y828-T831 WeakPolarHBondContact O-CA 3.38Å; Y828-T831 WeakPolarHBondContact O-CB 3.46Å; Y828-T831 PolarHBondContact O-N 3.36Å; Y828-T831 PolarHBondContact O-OG1 2.92Å; R829-T831 VanDerWaalsContact C-N 3.32Å |
| 832 | V | 94 | Very high | 91.3 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 112 | 174 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | K763 C766 M825 K827 | K763-V832 HydrophobicContact CG-CB 3.8Å; K763-V832 HydrophobicContact CG-CG2 3.99Å; C766-V832 HydrophobicContact CB-CG2 3.83Å; C766-V832 VanDerWaalsContact SG-CG2 3.52Å; M825-V832 HydrophobicContact CB-CG1 4.47Å; M825-V832 HydrophobicContact SD-CG1 4.1Å; K827-V832 HydrophobicContact CG-CG1 4.15Å; K827-V832 HydrophobicContact CG-CG2 4.15Å |
| 833 | Y | 94.2 | Very high | 90.7 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 145 | 171.5 | -58.2 | -95.8 | 0 | 0 | 0 | 109.1 | M825 L826 F854 Q855 I856 | M825-Y833 CarbonylContact C-O 3.57Å; M825-Y833 VanDerWaalsContact CA-O 3.29Å; M825-Y833 WeakPolarHBondContact CA-O 3.33Å; L826-Y833 PolarHBondContact N-O 2.86Å; L826-Y833 PolarHBondContact O-N 3.3Å; Y833-F854 HydrophobicContact CD1-CB 4.16Å; Y833-F854 AromaticContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CG 4.23Å; Y833-F854 HydrophobicContact CG-CD1 4.25Å; Y833-F854 HydrophobicContact CG-CG 4.49Å; Y833-Q855 PolarHBondContact OH-O 3.08Å; Y833-I856 HydrophobicContact CD2-CD1 4.11Å; Y833-I856 HydrophobicContact CD2-CG1 4.34Å; Y833-I856 HydrophobicContact CE1-CG1 4.39Å; Y833-I856 HydrophobicContact CE2-CB 4.5Å; Y833-I856 HydrophobicContact CE2-CD1 3.89Å; Y833-I856 HydrophobicContact CE2-CG1 3.78Å; Y833-I856 HydrophobicContact CE2-CG2 4.17Å |
| 834 | S | 94 | Very high | 89.7 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147.2 | 179.5 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | L759 C824 F854 | L759-S834 WeakPolarHBondContact CD2-OG 2.93Å; C824-S834 WeakPolarHBondContact O-CA 3.25Å; S834-F854 WeakPolarHBondContact O-CZ 3.47Å |
| 835 | T | 94.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 166.9 | -179.5 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | K755 I798 C824 F850 N852 F854 | K755-T835 PolarHBondContact NZ-O 2.95Å; I798-T835 HydrophobicContact CD1-CG2 4.26Å; C824-T835 HydrophobicContact CB-CG2 3.74Å; C824-T835 PolarHBondContact N-OG1 3.1Å; C824-T835 PolarHBondContact O-N 2.8Å; T835-F850 HydrophobicContact CG2-CB 4Å; T835-F850 HydrophobicContact CG2-CD1 3.96Å; T835-F850 HydrophobicContact CG2-CG 4.07Å; T835-F850 WeakPolarHBondContact OG1-CD1 3.27Å; T835-F850 WeakPolarHBondContact OG1-CE1 3.49Å; T835-N852 VanDerWaalsContact CA-OD1 3.25Å; T835-N852 WeakPolarHBondContact CA-OD1 3.49Å; T835-N852 WeakPolarHBondContact CB-OD1 3.26Å; T835-N852 HydrophobicContact CG2-CB 4.22Å; T835-F854 HydrophobicContact CG2-CE2 4.16Å; T835-F854 HydrophobicContact CG2-CZ 4.13Å |
| 836 | H | 91.3 | Very high | 88.3 | Confident | 122 Ų | 122 | 48 Ų | 48 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 158.5 | 157 | -62 | -67.8 | 0 | 0 | 0 | 110.2 | N852 | H836-N852 PolarHBondContact CD2-ND2 2.76Å; H836-N852 VanDerWaalsContact CD2-ND2 3.28Å; H836-N852 PolarHBondContact CD2-OD1 2.94Å; H836-N852 PolarHBondContact N-OD1 2.91Å; H836-N852 PolarHBondContact NE2-ND2 3.07Å |
| 837 | L | 91.5 | Very high | 88 | Confident | 49 Ų | 49 | 52 Ų | 52 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 122 | 178.9 | -170.3 | 81.3 | 0 | 0 | 0 | 108.8 | I751 H821 I823 F916 | I751-L837 HydrophobicContact CG2-CD2 3.35Å; H821-L837 HydrophobicContact CB-CD1 3.96Å; H821-L837 HydrophobicContact CB-CD2 3.96Å; H821-L837 HydrophobicContact CB-CG 4.02Å; I823-L837 HydrophobicContact CB-CD1 4.17Å; L837-F916 HydrophobicContact CD1-CE1 3.84Å; L837-F916 HydrophobicContact CD1-CZ 3.66Å |
| 838 | T | 91.4 | Very high | 87.8 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.104 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.6 | 179.6 | -58 | 0 | 0 | 0 | 0 | 109 | F822 T842 L848 F850 | F822-T838 PolarHBondContact N-O 3.03Å; F822-T838 PolarHBondContact O-N 2.95Å; T838-T842 WeakPolarHBondContact CG2-OG1 3.45Å; T838-L848 HydrophobicContact CG2-CB 4.36Å; T838-L848 HydrophobicContact CG2-CD2 3.95Å; T838-F850 VanDerWaalsContact OG1-CD1 3.27Å; T838-F850 WeakPolarHBondContact OG1-CD1 3.2Å; T838-F850 VanDerWaalsContact OG1-CE1 3.26Å; T838-F850 WeakPolarHBondContact OG1-CE1 3.42Å |
| 839 | S | 89.2 | Confident | 87.7 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 161 | 178.9 | 81.1 | 0 | 0 | 0 | 0 | 111.8 | Y820 E841 T842 A843 L848 | Y820-S839 CarbonylContact O-C 3.55Å; Y820-S839 WeakPolarHBondContact O-CA 3.39Å; S839-E841 PolarHBondContact O-N 3.17Å; S839-E841 PolarHBondContact OG-N 3.23Å; S839-T842 PolarHBondContact N-OG1 2.87Å; S839-T842 PolarHBondContact O-N 3.41Å; S839-T842 PolarHBondContact O-OG1 3.41Å; S839-T842 PolarHBondContact OG-N 3.45Å; S839-T842 PolarHBondContact OG-OG1 2.84Å; S839-A843 PolarHBondContact O-N 3.47Å; S839-L848 WeakPolarHBondContact O-CD2 3.44Å |
| 840 | T | 86.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -61.9 | -23.9 | 171.6 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | L802 Y806 L811 Y820 F822 T842 A843 P944 | L802-T840 HydrophobicContact CD1-CG2 4.26Å; L802-T840 HydrophobicContact CD2-CG2 4.35Å; Y806-T840 HydrophobicContact CE1-CG2 3.74Å; Y806-T840 PolarHBondContact OH-OG1 3.28Å; Y806-T840 VanDerWaalsContact OH-OG1 3.11Å; L811-T840 WeakPolarHBondContact CD1-O 3.3Å; Y820-T840 PolarHBondContact N-OG1 3.27Å; Y820-T840 PolarHBondContact O-N 3.34Å; F822-T840 HydrophobicContact CE2-CG2 3.93Å; T840-T842 VanDerWaalsContact C-N 3.27Å; T840-T842 PolarHBondContact O-N 3.27Å; T840-A843 WeakPolarHBondContact O-CB 3.31Å; T840-A843 PolarHBondContact O-N 3.38Å; T840-P944 HydrophobicContact CG2-CG 4.41Å |
| 841 | E | 79.7 | Confident | 87.5 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -72.6 | -22.3 | 174.7 | -57.2 | -163.7 | 123.4 | 0 | 0 | 112.6 | V819 S839 K876 | V819-E841 HydrophobicContact CG1-CG 4.19Å; V819-E841 HydrophobicContact CG2-CG 4.01Å; S839-E841 PolarHBondContact O-N 3.17Å; S839-E841 PolarHBondContact OG-N 3.23Å; E841-K876 WeakPolarHBondContact OE1-CE 3.36Å; E841-K876 IonicContact OE1-NZ 3.16Å; E841-K876 PolarHBondContact OE1-NZ 2.88Å |
| 842 | T | 80.3 | Confident | 87.4 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -92.1 | 3.7 | 173.8 | 47.7 | 0 | 0 | 0 | 0 | 114.1 | T838 S839 T840 L844 | T838-T842 WeakPolarHBondContact CG2-OG1 3.45Å; S839-T842 PolarHBondContact N-OG1 2.87Å; S839-T842 PolarHBondContact O-N 3.41Å; S839-T842 PolarHBondContact O-OG1 3.41Å; S839-T842 PolarHBondContact OG-N 3.45Å; S839-T842 PolarHBondContact OG-OG1 2.84Å; T840-T842 VanDerWaalsContact C-N 3.27Å; T840-T842 PolarHBondContact O-N 3.27Å; T842-L844 PolarHBondContact O-N 3.23Å |
| 843 | A | 80.1 | Confident | 87.1 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | trans | -69.2 | 125.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L802 L811 S839 T840 F847 L848 | L802-A843 HydrophobicContact CD1-CB 3.6Å; L811-A843 HydrophobicContact CD2-CB 4.19Å; S839-A843 PolarHBondContact O-N 3.47Å; T840-A843 WeakPolarHBondContact O-CB 3.31Å; T840-A843 PolarHBondContact O-N 3.38Å; A843-F847 CarbonylContact C-O 3.52Å; A843-F847 VanDerWaalsContact CA-O 3.31Å; A843-F847 WeakPolarHBondContact CA-O 3.36Å; A843-L848 HydrophobicContact CB-CD2 4Å | ||
| 844 | L | 73.9 | Confident | 87 | Confident | 114 Ų | 114 | 56.6 Ų | 56.6 | 60% | 0.597 | 30% | 0.298 | S | S | * | . | B | Isolated β-bridge | trans | -101.3 | 131.3 | 179.7 | -65 | 177.8 | 0 | 0 | 0 | 110.1 | T842 G846 F847 | T842-L844 PolarHBondContact O-N 3.23Å; L844-G846 PolarHBondContact O-N 3.42Å; L844-F847 PolarHBondContact N-O 2.86Å; L844-F847 PolarHBondContact O-N 3.02Å |
| 845 | N | 77.6 | Confident | 86.7 | Confident | 166 Ų | 166 | 59.4 Ų | 59.4 | 89% | 0.888 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 20.1 | 177.7 | -58.7 | -21.6 | 0 | 0 | 0 | 115.6 | ||
| 846 | G | 83.2 | Confident | 86.5 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 4.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L802 I807 L844 | L802-G846 WeakPolarHBondContact CB-O 3.18Å; L802-G846 PolarHBondContact N-O 3.08Å; I807-G846 VanDerWaalsContact CD1-CA 3.47Å; L844-G846 PolarHBondContact O-N 3.42Å |
| 847 | F | 88.4 | Confident | 86.2 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 37% | 0.373 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.9 | 177.5 | -62.6 | -96.2 | 0 | 0 | 0 | 111.4 | I800 P801 A843 L844 L950 | I800-F847 WeakPolarHBondContact O-CA 3.35Å; P801-F847 HydrophobicContact CB-CD1 3.98Å; P801-F847 HydrophobicContact CB-CE1 3.78Å; P801-F847 HydrophobicContact CG-CE1 4.49Å; A843-F847 CarbonylContact C-O 3.52Å; A843-F847 VanDerWaalsContact CA-O 3.31Å; A843-F847 WeakPolarHBondContact CA-O 3.36Å; L844-F847 PolarHBondContact N-O 2.86Å; L844-F847 PolarHBondContact O-N 3.02Å; F847-L950 HydrophobicContact CE1-CD1 4.22Å |
| 848 | L | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 102.8 | 160.4 | -60.8 | 167.1 | 0 | 0 | 0 | 107.5 | S799 I800 L802 F822 T838 S839 A843 F850 | S799-L848 CarbonylContact C-O 3.52Å; S799-L848 WeakPolarHBondContact CA-O 3.36Å; I800-L848 HydrophobicContact CB-CB 4.27Å; I800-L848 PolarHBondContact N-O 3.33Å; I800-L848 PolarHBondContact O-N 3.16Å; L802-L848 HydrophobicContact CD1-CD2 4.4Å; L802-L848 HydrophobicContact CD1-CG 4.32Å; L802-L848 HydrophobicContact CD2-CD1 3.8Å; L802-L848 HydrophobicContact CD2-CG 3.97Å; L802-L848 HydrophobicContact CG-CG 4.15Å; F822-L848 HydrophobicContact CB-CD1 4.15Å; F822-L848 HydrophobicContact CD1-CD1 4.34Å; F822-L848 HydrophobicContact CD2-CD1 3.37Å; F822-L848 HydrophobicContact CD2-CD2 4.42Å; F822-L848 HydrophobicContact CE2-CD1 3.74Å; F822-L848 HydrophobicContact CG-CD1 3.7Å; F822-L848 HydrophobicContact CZ-CD1 4.35Å; T838-L848 HydrophobicContact CG2-CB 4.36Å; T838-L848 HydrophobicContact CG2-CD2 3.95Å; S839-L848 WeakPolarHBondContact O-CD2 3.44Å; A843-L848 HydrophobicContact CB-CD2 4Å; L848-F850 HydrophobicContact CB-CE2 4.12Å |
| 849 | E | 90.4 | Very high | 85.3 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.6 | 175 | -176 | 171.3 | -163.9 | 0 | 0 | 110.4 | ||
| 850 | F | 91.1 | Very high | 85 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109 | 173 | -59.2 | -91.9 | 0 | 0 | 0 | 108.9 | I798 I800 F822 C824 T835 T838 L848 N852 | I798-F850 HydrophobicContact CB-CB 4.28Å; I798-F850 HydrophobicContact CB-CD2 4.42Å; I798-F850 HydrophobicContact CG2-CD2 4.11Å; I798-F850 WeakPolarHBondContact O-CD2 3.15Å; I798-F850 PolarHBondContact O-N 3.17Å; I800-F850 HydrophobicContact CD1-CE2 3.86Å; I800-F850 HydrophobicContact CG1-CE2 4.03Å; F822-F850 HydrophobicContact CB-CZ 4.05Å; C824-F850 VanDerWaalsContact SG-CE2 3.57Å; T835-F850 HydrophobicContact CG2-CB 4Å; T835-F850 HydrophobicContact CG2-CD1 3.96Å; T835-F850 HydrophobicContact CG2-CG 4.07Å; T835-F850 WeakPolarHBondContact OG1-CD1 3.27Å; T835-F850 WeakPolarHBondContact OG1-CE1 3.49Å; T838-F850 VanDerWaalsContact OG1-CD1 3.27Å; T838-F850 WeakPolarHBondContact OG1-CD1 3.2Å; T838-F850 VanDerWaalsContact OG1-CE1 3.26Å; T838-F850 WeakPolarHBondContact OG1-CE1 3.42Å; L848-F850 HydrophobicContact CB-CE2 4.12Å; F850-N852 PolarHBondContact O-N 2.87Å |
| 851 | S | 84.1 | Confident | 84.6 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | trans | -73.1 | 20.5 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 852 | N | 88.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | trans | -78.3 | 140.2 | 179.2 | -75.9 | 96.2 | 0 | 0 | 0 | 111.4 | T835 H836 F850 F854 | T835-N852 VanDerWaalsContact CA-OD1 3.25Å; T835-N852 WeakPolarHBondContact CA-OD1 3.49Å; T835-N852 WeakPolarHBondContact CB-OD1 3.26Å; T835-N852 HydrophobicContact CG2-CB 4.22Å; H836-N852 PolarHBondContact CD2-ND2 2.76Å; H836-N852 VanDerWaalsContact CD2-ND2 3.28Å; H836-N852 PolarHBondContact CD2-OD1 2.94Å; H836-N852 PolarHBondContact N-OD1 2.91Å; H836-N852 PolarHBondContact NE2-ND2 3.07Å; F850-N852 PolarHBondContact O-N 2.87Å; N852-F854 HydrophobicContact CB-CE1 4.22Å; N852-F854 HydrophobicContact CB-CE2 3.79Å; N852-F854 HydrophobicContact CB-CZ 3.58Å | ||
| 853 | Y | 89 | Confident | 85.2 | Confident | 137 Ų | 137 | 54.6 Ų | 54.6 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | trans | -115.7 | 132 | 169.8 | 178.6 | -81.9 | 0 | 0 | 0 | 107.7 | T794 V795 A796 Q855 | T794-Y853 HydrophobicContact CG2-CD2 4.17Å; T794-Y853 HydrophobicContact CG2-CE1 4.35Å; T794-Y853 HydrophobicContact CG2-CE2 3.34Å; T794-Y853 VanDerWaalsContact CG2-CZ 3.44Å; T794-Y853 WeakPolarHBondContact CG2-OH 3.39Å; V795-Y853 WeakPolarHBondContact O-CA 3.36Å; A796-Y853 HydrophobicContact CB-CD2 4.15Å; Y853-Q855 HydrophobicContact CE1-CB 4.17Å | ||
| 854 | F | 91.2 | Very high | 85.7 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.9 | 175.1 | -53.2 | -64.3 | 0 | 0 | 0 | 109.5 | T794 V795 I798 L826 Y833 S834 T835 N852 | T794-F854 CarbonylContact C-O 3.6Å; T794-F854 WeakPolarHBondContact CA-O 3.41Å; V795-F854 HydrophobicContact CB-CB 4.43Å; V795-F854 HydrophobicContact CG1-CD2 4.23Å; V795-F854 PolarHBondContact N-O 2.87Å; V795-F854 PolarHBondContact O-N 3Å; I798-F854 HydrophobicContact CD1-CE2 4.12Å; L826-F854 HydrophobicContact CD1-CD2 3.73Å; L826-F854 HydrophobicContact CD1-CE2 3.55Å; L826-F854 HydrophobicContact CD1-CZ 4.4Å; Y833-F854 HydrophobicContact CD1-CB 4.16Å; Y833-F854 AromaticContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CG 4.23Å; Y833-F854 HydrophobicContact CG-CD1 4.25Å; Y833-F854 HydrophobicContact CG-CG 4.49Å; S834-F854 WeakPolarHBondContact O-CZ 3.47Å; T835-F854 HydrophobicContact CG2-CE2 4.16Å; T835-F854 HydrophobicContact CG2-CZ 4.13Å; N852-F854 HydrophobicContact CB-CE1 4.22Å; N852-F854 HydrophobicContact CB-CE2 3.79Å; N852-F854 HydrophobicContact CB-CZ 3.58Å |
| 855 | Q | 89.2 | Confident | 86.6 | Confident | 85 Ų | 85 | 52 Ų | 52 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.2 | 170 | -175.6 | 176.8 | -37.5 | 0 | 0 | 107.6 | T792 Y833 Y853 D857 | T792-Q855 HydrophobicContact CG2-CG 3.5Å; T792-Q855 VanDerWaalsContact CG2-CG 3.5Å; Y833-Q855 PolarHBondContact OH-O 3.08Å; Y853-Q855 HydrophobicContact CE1-CB 4.17Å; Q855-D857 PolarHBondContact NE2-OD1 2.87Å; Q855-D857 PolarHBondContact NE2-OD2 2.94Å |
| 856 | I | 89.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 98.5 | -178.1 | -44.1 | -175.6 | 0 | 0 | 0 | 106.7 | T792 L793 Y833 L859 L865 | T792-I856 CarbonylContact C-O 3.55Å; T792-I856 WeakPolarHBondContact CA-O 3.28Å; L793-I856 PolarHBondContact N-O 3.4Å; L793-I856 PolarHBondContact O-N 2.81Å; Y833-I856 HydrophobicContact CD2-CD1 4.11Å; Y833-I856 HydrophobicContact CD2-CG1 4.34Å; Y833-I856 HydrophobicContact CE1-CG1 4.39Å; Y833-I856 HydrophobicContact CE2-CB 4.5Å; Y833-I856 HydrophobicContact CE2-CD1 3.89Å; Y833-I856 HydrophobicContact CE2-CG1 3.78Å; Y833-I856 HydrophobicContact CE2-CG2 4.17Å; I856-L859 HydrophobicContact CB-CD1 4.24Å; I856-L859 HydrophobicContact CB-CG 4.48Å; I856-L859 HydrophobicContact CG2-CD1 4.11Å; I856-L859 HydrophobicContact CG2-CD2 3.77Å; I856-L859 HydrophobicContact CG2-CG 3.96Å; I856-L865 HydrophobicContact CD1-CD1 3.58Å; I856-L865 HydrophobicContact CD1-CD2 3.79Å; I856-L865 HydrophobicContact CD1-CG 4.36Å |
| 857 | D | 84.2 | Confident | 87.9 | Confident | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 164.6 | -178.1 | -64 | -60.2 | 0 | 0 | 0 | 112 | T792 Q855 L859 H958 | T792-D857 WeakPolarHBondContact CB-OD1 3.4Å; T792-D857 WeakPolarHBondContact CG2-OD1 3.15Å; T792-D857 PolarHBondContact OG1-OD1 2.9Å; Q855-D857 PolarHBondContact NE2-OD1 2.87Å; Q855-D857 PolarHBondContact NE2-OD2 2.94Å; D857-L859 VanDerWaalsContact C-N 3.27Å; D857-L859 PolarHBondContact O-N 3.01Å; D857-H958 IonicContact OD1-CE1 2.74Å; D857-H958 IonicContact OD1-ND1 3.55Å |
| 858 | C | 79 | Confident | 88.2 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.5 | 33.6 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 115 | L790 G791 | L790-C858 HydrophobicContact CD1-CB 4.19Å; L790-C858 HydrophobicContact CD2-CB 4.45Å; L790-C858 WeakPolarHBondContact CD2-O 3.32Å; G791-C858 PolarHBondContact O-N 3.05Å |
| 859 | L | 84.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.1 | 169.1 | -67.3 | -178.8 | 0 | 0 | 0 | 110.4 | L790 G791 L793 Y828 I856 D857 F863 W1073 | L790-L859 WeakPolarHBondContact CA-O 3.43Å; G791-L859 PolarHBondContact N-O 3.32Å; G791-L859 PolarHBondContact O-N 2.97Å; L793-L859 HydrophobicContact CB-CD1 3.48Å; L793-L859 VanDerWaalsContact CB-CD1 3.48Å; L793-L859 HydrophobicContact CD2-CD1 4.05Å; L793-L859 HydrophobicContact CG-CD1 4.4Å; Y828-L859 HydrophobicContact CD1-CD2 3.75Å; Y828-L859 HydrophobicContact CD2-CD2 3.91Å; Y828-L859 HydrophobicContact CE1-CD2 3.53Å; Y828-L859 HydrophobicContact CE2-CD2 3.69Å; Y828-L859 HydrophobicContact CG-CD2 3.94Å; Y828-L859 VanDerWaalsContact CZ-CD2 3.5Å; I856-L859 HydrophobicContact CB-CD1 4.24Å; I856-L859 HydrophobicContact CB-CG 4.48Å; I856-L859 HydrophobicContact CG2-CD1 4.11Å; I856-L859 HydrophobicContact CG2-CD2 3.77Å; I856-L859 HydrophobicContact CG2-CG 3.96Å; D857-L859 VanDerWaalsContact C-N 3.27Å; D857-L859 PolarHBondContact O-N 3.01Å; L859-F863 HydrophobicContact CB-CB 4.35Å; L859-F863 HydrophobicContact CB-CD1 4.29Å; L859-F863 HydrophobicContact CB-CG 4.37Å; L859-F863 HydrophobicContact CD1-CD1 4.23Å; L859-F863 HydrophobicContact CD1-CD2 4.05Å; L859-F863 HydrophobicContact CD1-CE1 4.43Å; L859-F863 HydrophobicContact CD1-CE2 4.27Å; L859-F863 HydrophobicContact CD1-CG 4.04Å; L859-F863 HydrophobicContact CD1-CZ 4.45Å; L859-F863 HydrophobicContact CD2-CB 4.11Å; L859-F863 HydrophobicContact CD2-CG 4.42Å; L859-W1073 HydrophobicContact CB-CH2 4.11Å; L859-W1073 WeakPolarHBondContact O-CH2 3.21Å; L859-W1073 WeakPolarHBondContact O-CZ2 3.17Å |
| 860 | P | 83.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | trans | -77.2 | 166.2 | 165.1 | 36 | -35.6 | 0 | 0 | 0 | 110.5 | P786 Y828 D862 F863 | P786-P860 HydrophobicContact CB-CB 4.15Å; P786-P860 HydrophobicContact CB-CG 4.25Å; Y828-P860 WeakPolarHBondContact OH-CD 3.41Å; P860-D862 WeakPolarHBondContact CB-OD1 3.35Å; P860-D862 WeakPolarHBondContact CG-OD1 3.47Å; P860-D862 PolarHBondContact O-N 3.27Å; P860-F863 WeakPolarHBondContact O-CB 3.4Å; P860-F863 WeakPolarHBondContact O-CD1 3.48Å; P860-F863 PolarHBondContact O-N 3.14Å | ||
| 861 | P | 78.6 | Confident | 88.7 | Confident | 37 Ų | 37 | 41.1 Ų | 41.1 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.6 | -173.4 | -23.3 | 36.1 | 0 | 0 | 0 | 114.9 | P789 F863 L926 V1072 W1073 | P789-P861 HydrophobicContact CG-CG 3.84Å; P789-P861 WeakPolarHBondContact O-CD 3.42Å; P861-F863 VanDerWaalsContact C-N 3.27Å; P861-F863 PolarHBondContact O-N 2.87Å; P861-L926 HydrophobicContact CB-CD2 3.86Å; P861-L926 WeakPolarHBondContact O-CB 3.36Å; P861-V1072 HydrophobicContact CB-CG1 3.74Å; P861-V1072 HydrophobicContact CG-CG1 3.67Å; P861-W1073 HydrophobicContact CB-CZ2 4.48Å; P861-W1073 HydrophobicContact CG-CZ2 4.14Å |
| 862 | D | 83.6 | Confident | 89.1 | Confident | 125 Ų | 125 | 36.6 Ų | 36.6 | 67% | 0.668 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 15.5 | 179.6 | 65.2 | -35.5 | 0 | 0 | 0 | 113.6 | P860 E864 | P860-D862 WeakPolarHBondContact CB-OD1 3.35Å; P860-D862 WeakPolarHBondContact CG-OD1 3.47Å; P860-D862 PolarHBondContact O-N 3.27Å; D862-E864 PolarHBondContact O-N 3.44Å |
| 863 | F | 87.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | trans | -61.3 | 134.1 | -176 | 78.5 | -89.4 | 0 | 0 | 0 | 113.6 | L793 Y828 L859 P860 P861 L865 I924 T925 L926 V929 W1073 | L793-F863 HydrophobicContact CD2-CE2 3.76Å; L793-F863 HydrophobicContact CD2-CZ 3.89Å; Y828-F863 HydrophobicContact CE2-CB 3.88Å; L859-F863 HydrophobicContact CB-CB 4.35Å; L859-F863 HydrophobicContact CB-CD1 4.29Å; L859-F863 HydrophobicContact CB-CG 4.37Å; L859-F863 HydrophobicContact CD1-CD1 4.23Å; L859-F863 HydrophobicContact CD1-CD2 4.05Å; L859-F863 HydrophobicContact CD1-CE1 4.43Å; L859-F863 HydrophobicContact CD1-CE2 4.27Å; L859-F863 HydrophobicContact CD1-CG 4.04Å; L859-F863 HydrophobicContact CD1-CZ 4.45Å; L859-F863 HydrophobicContact CD2-CB 4.11Å; L859-F863 HydrophobicContact CD2-CG 4.42Å; P860-F863 WeakPolarHBondContact O-CB 3.4Å; P860-F863 WeakPolarHBondContact O-CD1 3.48Å; P860-F863 PolarHBondContact O-N 3.14Å; P861-F863 VanDerWaalsContact C-N 3.27Å; P861-F863 PolarHBondContact O-N 2.87Å; F863-L865 HydrophobicContact CD2-CB 3.97Å; F863-L865 HydrophobicContact CE2-CB 4.09Å; F863-I924 HydrophobicContact CE2-CG2 4.4Å; F863-T925 WeakPolarHBondContact O-CA 3.24Å; F863-L926 HydrophobicContact CD1-CB 4.35Å; F863-L926 HydrophobicContact CE1-CB 3.77Å; F863-L926 HydrophobicContact CE1-CD1 4.39Å; F863-V929 HydrophobicContact CZ-CB 4.29Å; F863-V929 HydrophobicContact CZ-CG2 4.31Å; F863-W1073 HydrophobicContact CD1-CH2 4.1Å; F863-W1073 HydrophobicContact CD1-CZ3 4.34Å; F863-W1073 HydrophobicContact CE1-CH2 4.18Å; F863-W1073 AromaticContact CE1-CZ3 3.94Å; F863-W1073 HydrophobicContact CE1-CZ3 3.94Å | ||
| 864 | E | 90.3 | Very high | 89 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 18% | 0.18 | S | C | . | . | trans | -109.4 | 105.8 | 162.1 | -174.7 | -179.3 | 120.8 | 0 | 0 | 108.9 | D862 K866 K923 | D862-E864 PolarHBondContact O-N 3.44Å; E864-K866 HydrophobicContact CG-CG 4.44Å; E864-K866 WeakPolarHBondContact OE1-CE 3.37Å; E864-K866 IonicContact OE1-NZ 2.74Å; E864-K923 VanDerWaalsContact CD-CE 3.47Å; E864-K923 HydrophobicContact CG-CB 4.26Å; E864-K923 HydrophobicContact CG-CD 4.17Å; E864-K923 HydrophobicContact CG-CG 4.16Å; E864-K923 WeakPolarHBondContact OE1-CE 3.37Å; E864-K923 IonicContact OE1-NZ 2.63Å; E864-K923 PolarHBondContact OE1-NZ 2.73Å; E864-K923 WeakPolarHBondContact OE2-CD 3.49Å; E864-K923 WeakPolarHBondContact OE2-CE 3.06Å; E864-K923 IonicContact OE2-NZ 2.67Å; E864-K923 PolarHBondContact OE2-NZ 3.04Å | ||
| 865 | L | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.2 | 172.7 | 175.9 | 71.6 | 0 | 0 | 0 | 108.3 | L793 L826 I856 F863 I924 | L793-L865 HydrophobicContact CD2-CD2 3.73Å; L826-L865 HydrophobicContact CB-CD1 4.06Å; L826-L865 HydrophobicContact CB-CG 4.43Å; L826-L865 HydrophobicContact CD2-CD2 4Å; I856-L865 HydrophobicContact CD1-CD1 3.58Å; I856-L865 HydrophobicContact CD1-CD2 3.79Å; I856-L865 HydrophobicContact CD1-CG 4.36Å; F863-L865 HydrophobicContact CD2-CB 3.97Å; F863-L865 HydrophobicContact CE2-CB 4.09Å; L865-I924 HydrophobicContact CB-CB 4.16Å; L865-I924 HydrophobicContact CD2-CB 4.32Å; L865-I924 HydrophobicContact CD2-CD1 4.2Å; L865-I924 HydrophobicContact CD2-CG2 4.42Å; L865-I924 PolarHBondContact N-O 2.8Å; L865-I924 PolarHBondContact O-N 3.19Å |
| 866 | K | 94.2 | Very high | 87.5 | Confident | 94 Ų | 94 | 39.7 Ų | 39.7 | 41% | 0.409 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.8 | 180 | -64.7 | -177.1 | 178.5 | -177.5 | 0 | 110.3 | L826 K827 E864 | L826-K866 CarbonylContact C-O 3.58Å; L826-K866 WeakPolarHBondContact CA-O 3.5Å; K827-K866 HydrophobicContact CB-CB 4.4Å; K827-K866 PolarHBondContact N-O 3.2Å; K827-K866 PolarHBondContact O-N 2.88Å; E864-K866 HydrophobicContact CG-CG 4.44Å; E864-K866 WeakPolarHBondContact OE1-CE 3.37Å; E864-K866 IonicContact OE1-NZ 2.74Å |
| 867 | F | 95.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.7 | 171.1 | 176.9 | -77.3 | 0 | 0 | 0 | 109.2 | I798 C824 M825 L826 L869 E921 T922 I924 L936 F949 | I798-F867 HydrophobicContact CD1-CE2 4.36Å; I798-F867 HydrophobicContact CG2-CE2 4.14Å; I798-F867 HydrophobicContact CG2-CZ 4.28Å; C824-F867 HydrophobicContact CB-CE2 3.85Å; C824-F867 HydrophobicContact CB-CZ 3.73Å; M825-F867 WeakPolarHBondContact O-CA 3.29Å; L826-F867 HydrophobicContact CD2-CD2 4.21Å; L826-F867 HydrophobicContact CG-CD2 4.05Å; F867-L869 HydrophobicContact CE1-CB 4.28Å; F867-E921 CarbonylContact O-C 3.58Å; F867-E921 VanDerWaalsContact O-CA 3.27Å; F867-E921 WeakPolarHBondContact O-CA 3.39Å; F867-T922 HydrophobicContact CB-CG2 3.96Å; F867-T922 HydrophobicContact CD1-CG2 4.38Å; F867-T922 HydrophobicContact CG-CG2 4.44Å; F867-T922 PolarHBondContact N-O 3.13Å; F867-T922 PolarHBondContact O-N 3.25Å; F867-I924 HydrophobicContact CB-CD1 3.97Å; F867-L936 HydrophobicContact CD1-CD2 3.96Å; F867-L936 HydrophobicContact CE1-CD2 3.86Å; F867-F949 HydrophobicContact CB-CZ 4.24Å; F867-F949 HydrophobicContact CD1-CD1 4.19Å; F867-F949 AromaticContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE2 4.48Å; F867-F949 AromaticContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD2-CE1 4.38Å; F867-F949 AromaticContact CD2-CE2 3.93Å; F867-F949 HydrophobicContact CD2-CE2 3.93Å; F867-F949 AromaticContact CD2-CZ 3.74Å; F867-F949 HydrophobicContact CD2-CZ 3.74Å; F867-F949 AromaticContact CE1-CD1 3.76Å; F867-F949 HydrophobicContact CE1-CD1 3.76Å; F867-F949 AromaticContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE2 4.39Å; F867-F949 HydrophobicContact CE1-CG 4.25Å; F867-F949 AromaticContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE2-CD2 4.13Å; F867-F949 HydrophobicContact CE2-CE1 4.41Å; F867-F949 AromaticContact CE2-CE2 3.8Å; F867-F949 HydrophobicContact CE2-CE2 3.8Å; F867-F949 AromaticContact CE2-CZ 3.94Å; F867-F949 HydrophobicContact CE2-CZ 3.94Å; F867-F949 AromaticContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE2 4.28Å; F867-F949 AromaticContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CZ-CD1 4.05Å; F867-F949 HydrophobicContact CZ-CD2 4.06Å; F867-F949 HydrophobicContact CZ-CE1 4.04Å; F867-F949 HydrophobicContact CZ-CE2 4.05Å; F867-F949 HydrophobicContact CZ-CG 4.06Å; F867-F949 HydrophobicContact CZ-CZ 4.03Å |
| 868 | E | 94.7 | Very high | 84.7 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.1 | 178.4 | -73.3 | 173 | -137.4 | 0 | 0 | 110.8 | C824 M825 K827 F870 L918 E921 | C824-E868 CarbonylContact C-O 3.54Å; C824-E868 WeakPolarHBondContact CA-O 3.3Å; M825-E868 PolarHBondContact N-O 2.8Å; M825-E868 PolarHBondContact O-N 3.41Å; K827-E868 WeakPolarHBondContact CD-OE1 3.23Å; K827-E868 VanDerWaalsContact CE-OE1 3.23Å; K827-E868 WeakPolarHBondContact CE-OE1 3.49Å; K827-E868 WeakPolarHBondContact CE-OE2 3.39Å; K827-E868 IonicContact NZ-OE1 3.55Å; K827-E868 PolarHBondContact NZ-OE1 2.92Å; K827-E868 IonicContact NZ-OE2 3.49Å; K827-E868 PolarHBondContact NZ-OE2 3.02Å; E868-F870 HydrophobicContact CB-CD2 4.3Å; E868-F870 HydrophobicContact CB-CE2 3.74Å; E868-F870 WeakPolarHBondContact OE2-CE2 3.39Å; E868-F870 WeakPolarHBondContact OE2-CZ 3.44Å; E868-L918 HydrophobicContact CB-CD1 3.8Å; E868-L918 HydrophobicContact CG-CD1 3.96Å; E868-E921 HydrophobicContact CG-CB 4.12Å |
| 869 | L | 94.6 | Very high | 83 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.5 | 173.9 | 179.5 | 62.5 | 0 | 0 | 0 | 109.7 | I800 F822 F867 V919 G920 L936 V945 | I800-L869 HydrophobicContact CD1-CD1 3.5Å; I800-L869 HydrophobicContact CD1-CD2 3.89Å; I800-L869 HydrophobicContact CD1-CG 4.29Å; F822-L869 HydrophobicContact CB-CD1 4.38Å; F822-L869 HydrophobicContact CD1-CD1 3.93Å; F822-L869 HydrophobicContact CD1-CD2 4.34Å; F822-L869 HydrophobicContact CD1-CG 4.22Å; F867-L869 HydrophobicContact CE1-CB 4.28Å; L869-V919 HydrophobicContact CB-CB 4.23Å; L869-V919 HydrophobicContact CD2-CB 4.03Å; L869-V919 HydrophobicContact CD2-CG1 3.87Å; L869-V919 HydrophobicContact CD2-CG2 4.47Å; L869-V919 HydrophobicContact CG-CB 3.94Å; L869-V919 HydrophobicContact CG-CG1 4.35Å; L869-V919 HydrophobicContact CG-CG2 4.13Å; L869-V919 VanDerWaalsContact O-CB 3.26Å; L869-V919 WeakPolarHBondContact O-CB 3.41Å; L869-V919 WeakPolarHBondContact O-CG2 3.47Å; L869-V919 PolarHBondContact O-N 3.02Å; L869-G920 PolarHBondContact N-O 2.91Å; L869-L936 HydrophobicContact CD2-CD1 3.84Å; L869-V945 HydrophobicContact CD2-CG1 4.49Å; L869-V945 HydrophobicContact CD2-CG2 4.24Å |
| 870 | F | 94.3 | Very high | 80.8 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 149.1 | 173.3 | -70.6 | -94.6 | 0 | 0 | 0 | 111.6 | L758 E762 F822 I823 M825 E868 F916 K917 L918 | L758-F870 HydrophobicContact CD1-CD1 3.88Å; L758-F870 HydrophobicContact CD1-CE1 3.8Å; L758-F870 HydrophobicContact CD1-CG 4.48Å; L758-F870 HydrophobicContact CD1-CZ 4.33Å; L758-F870 HydrophobicContact CD2-CB 3.96Å; L758-F870 HydrophobicContact CD2-CD1 4.01Å; L758-F870 HydrophobicContact CD2-CD2 4.25Å; L758-F870 HydrophobicContact CD2-CG 3.82Å; E762-F870 HydrophobicContact CG-CZ 4.36Å; F822-F870 WeakPolarHBondContact CA-O 3.45Å; I823-F870 HydrophobicContact CG2-CB 3.79Å; I823-F870 PolarHBondContact N-O 3.24Å; I823-F870 VanDerWaalsContact N-O 3.07Å; I823-F870 PolarHBondContact O-N 3.5Å; M825-F870 HydrophobicContact CE-CD2 4.29Å; M825-F870 HydrophobicContact CE-CE2 4.44Å; M825-F870 HydrophobicContact CG-CD2 4.33Å; M825-F870 HydrophobicContact CG-CE2 4.4Å; M825-F870 HydrophobicContact SD-CD2 4.45Å; M825-F870 HydrophobicContact SD-CE2 4.18Å; E868-F870 HydrophobicContact CB-CD2 4.3Å; E868-F870 HydrophobicContact CB-CE2 3.74Å; E868-F870 WeakPolarHBondContact OE2-CE2 3.39Å; E868-F870 WeakPolarHBondContact OE2-CZ 3.44Å; F870-F916 HydrophobicContact CB-CB 4.38Å; F870-F916 HydrophobicContact CB-CD1 4.1Å; F870-F916 HydrophobicContact CD1-CB 4.41Å; F870-K917 WeakPolarHBondContact CA-O 3.25Å; F870-L918 HydrophobicContact CD1-CB 4.31Å; F870-L918 HydrophobicContact CE1-CB 3.98Å; F870-L918 HydrophobicContact CE1-CD1 4.25Å; F870-L918 HydrophobicContact CE2-CD1 4.16Å; F870-L918 HydrophobicContact CZ-CD1 4.02Å |
| 871 | C | 93.7 | Very high | 78.6 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.054 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.2 | 175.3 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | H821 F822 F916 K917 V919 | H821-C871 CarbonylContact O-C 3.56Å; H821-C871 VanDerWaalsContact O-CA 3.25Å; H821-C871 WeakPolarHBondContact O-CA 3.43Å; H821-C871 PolarHBondContact O-SG 2.8Å; H821-C871 VanDerWaalsContact O-SG 3.38Å; F822-C871 HydrophobicContact CD1-CB 3.78Å; F822-C871 HydrophobicContact CE1-CB 3.65Å; F822-C871 HydrophobicContact CZ-CB 4.3Å; C871-F916 WeakPolarHBondContact O-CA 3.47Å; C871-K917 PolarHBondContact N-O 2.72Å; C871-K917 PolarHBondContact O-N 2.96Å; C871-V919 HydrophobicContact CB-CG2 3.3Å |
| 872 | L | 92.3 | Very high | 76.5 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.4 | 169.1 | 173.9 | 56.8 | 0 | 0 | 0 | 109.3 | I751 Q754 H821 S915 F916 | I751-L872 HydrophobicContact CD1-CD2 3.62Å; I751-L872 HydrophobicContact CD1-CG 4.27Å; I751-L872 HydrophobicContact CG2-CD2 4.32Å; Q754-L872 HydrophobicContact CB-CD2 3.86Å; Q754-L872 HydrophobicContact CG-CD2 4.08Å; H821-L872 PolarHBondContact N-O 2.86Å; H821-L872 PolarHBondContact O-N 2.9Å; L872-S915 WeakPolarHBondContact CD1-O 3.38Å; L872-F916 HydrophobicContact CB-CD1 3.57Å; L872-F916 HydrophobicContact CB-CD2 3.99Å; L872-F916 HydrophobicContact CB-CE1 3.48Å; L872-F916 VanDerWaalsContact CB-CE1 3.48Å; L872-F916 HydrophobicContact CB-CE2 3.9Å; L872-F916 HydrophobicContact CB-CG 3.81Å; L872-F916 HydrophobicContact CB-CZ 3.65Å; L872-F916 HydrophobicContact CD2-CD2 3.94Å; L872-F916 HydrophobicContact CD2-CE2 3.54Å; L872-F916 HydrophobicContact CD2-CZ 3.89Å; L872-F916 HydrophobicContact CG-CE2 4.38Å; L872-F916 HydrophobicContact CG-CZ 4.44Å |
| 873 | M | 89.8 | Confident | 74.1 | Confident | 106 Ų | 106 | 72.9 Ų | 72.9 | 52% | 0.522 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.9 | 173.9 | -174.4 | 178.8 | 71.4 | 0 | 0 | 109.8 | L818 Y820 | L818-M873 HydrophobicContact CB-CG 4.44Å; L818-M873 HydrophobicContact CD1-SD 3.88Å; L818-M873 HydrophobicContact CD2-CE 4.49Å; L818-M873 HydrophobicContact CD2-CG 4.13Å; L818-M873 HydrophobicContact CD2-SD 4.14Å; L818-M873 HydrophobicContact CG-SD 4.45Å; Y820-M873 HydrophobicContact CD1-CB 4.15Å; Y820-M873 HydrophobicContact CD1-CG 4.22Å; Y820-M873 HydrophobicContact CE1-CB 4.11Å; Y820-M873 HydrophobicContact CE1-CG 3.88Å; Y820-M873 HydrophobicContact CE1-SD 3.87Å |
| 874 | S | 85.9 | Confident | 71.7 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151 | 178.2 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | V819 H821 | V819-S874 PolarHBondContact N-O 2.83Å; V819-S874 PolarHBondContact O-N 2.86Å; V819-S874 PolarHBondContact O-OG 2.86Å; H821-S874 PolarHBondContact CD2-OG 2.85Å; H821-S874 WeakPolarHBondContact NE2-CB 3.21Å; H821-S874 PolarHBondContact NE2-OG 3.47Å |
| 875 | E | 79.4 | Confident | 69.1 | Low | 138 Ų | 138 | 82.8 Ų | 82.8 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 134.1 | 173.4 | -170.9 | 172.8 | -152.1 | 0 | 0 | 111.3 | A817 R877 | A817-E875 WeakPolarHBondContact O-CA 3.41Å; E875-R877 PolarHBondContact O-N 2.94Å |
| 876 | K | 70 | Confident | 66.5 | Low | 67 Ų | 67 | 91.6 Ų | 91.6 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | trans | -74 | 121.1 | -179.3 | -174.7 | 169.8 | 177.1 | 159.2 | 0 | 110.5 | G814 G816 A817 V819 E841 D878 | G814-K876 PolarHBondContact O-NZ 2.89Å; G816-K876 WeakPolarHBondContact O-CD 3.4Å; A817-K876 PolarHBondContact O-N 2.99Å; V819-K876 HydrophobicContact CG2-CB 4.07Å; V819-K876 HydrophobicContact CG2-CD 4.38Å; V819-K876 HydrophobicContact CG2-CG 4.27Å; E841-K876 WeakPolarHBondContact OE1-CE 3.36Å; E841-K876 IonicContact OE1-NZ 3.16Å; E841-K876 PolarHBondContact OE1-NZ 2.88Å; K876-D878 PolarHBondContact O-N 2.88Å | ||
| 877 | R | 62.7 | Low | 63.6 | Low | 130 Ų | 130 | 96.3 Ų | 96.3 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | trans | -81.5 | 110 | 171.2 | -70.2 | -173.2 | 178.2 | -169.3 | 0.7 | 111 | N743 R745 E875 G879 | N743-R877 VanDerWaalsContact O-CZ 3.31Å; N743-R877 PolarHBondContact O-NH1 3.32Å; N743-R877 PolarHBondContact O-NH2 3.49Å; R745-R877 PolarHBondContact O-NE 2.84Å; R745-R877 PolarHBondContact O-NH2 3.14Å; E875-R877 PolarHBondContact O-N 2.94Å; R877-G879 PolarHBondContact O-N 3.45Å | ||
| 878 | D | 50.7 | Low | 60.9 | Low | 124 Ų | 124 | 102.4 Ų | 102.4 | 66% | 0.663 | 51% | 0.508 | S | S | * | . | trans | -61 | 124.5 | 167.8 | -77.2 | -40.6 | 0 | 0 | 0 | 111.4 | K876 Y880 | K876-D878 PolarHBondContact O-N 2.88Å; D878-Y880 PolarHBondContact O-N 3Å | ||
| 879 | G | 44.2 | Very low | 58 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 76% | 0.763 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 15.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R877 | R877-G879 PolarHBondContact O-N 3.45Š|
| 880 | Y | 37.7 | Very low | 55.5 | Low | 207 Ų | 207 | 114.3 Ų | 114.3 | 81% | 0.812 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 0.5 | -169.3 | -80.4 | -73.7 | 0 | 0 | 0 | 115.6 | D878 Q882 | D878-Y880 PolarHBondContact O-N 3Å; Y880-Q882 PolarHBondContact O-N 2.64Å |
| 881 | H | 38.1 | Very low | 52.9 | Low | 184 Ų | 184 | 118.5 Ų | 118.5 | 85% | 0.852 | 59% | 0.594 | S | S | * | * | trans | -75.7 | 72.6 | 153.5 | -85.3 | -57.3 | 0 | 0 | 0 | 111.1 | ||||
| 882 | Q | 33.3 | Very low | 50.6 | Low | 147 Ų | 147 | 124.7 Ų | 124.7 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | trans | -51.3 | 137.1 | 151.3 | -75.6 | -171 | -1.8 | 0 | 0 | 108.4 | Y880 T884 | Y880-Q882 PolarHBondContact O-N 2.64Å; Q882-T884 PolarHBondContact O-N 2.99Å; Q882-T884 PolarHBondContact O-OG1 3.35Å | ||
| 883 | P | 34.5 | Very low | 48 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | trans | -70.4 | 83.1 | 173.4 | 30.2 | -34.4 | 0 | 0 | 0 | 109.3 | E885 | P883-E885 PolarHBondContact O-N 2.89Š| ||
| 884 | T | 36.6 | Very low | 45.8 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | trans | -62.6 | 118.8 | 172.5 | -0.6 | 0 | 0 | 0 | 0 | 107.4 | Q882 K886 | Q882-T884 PolarHBondContact O-N 2.99Å; Q882-T884 PolarHBondContact O-OG1 3.35Å; T884-K886 PolarHBondContact O-N 2.95Å | ||
| 885 | E | 35.1 | Very low | 43.5 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -68.9 | 55.2 | -165.5 | -60.4 | -169.7 | 158.7 | 0 | 0 | 115.4 | P883 K887 | P883-E885 PolarHBondContact O-N 2.89Å; E885-K887 VanDerWaalsContact C-N 3.35Å; E885-K887 PolarHBondContact O-N 3.25Å; E885-K887 VanDerWaalsContact O-N 3.08Å | ||
| 886 | K | 39.1 | Very low | 41.4 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 81% | 0.809 | 72% | 0.715 | S | S | * | * | trans | -85.1 | 79.5 | 174.7 | -70.9 | -176.4 | 178.5 | 174.8 | 0 | 109.7 | T884 N888 | T884-K886 PolarHBondContact O-N 2.95Å; K886-N888 PolarHBondContact O-N 3.49Å | ||
| 887 | K | 33.9 | Very low | 39.8 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | -41.2 | 101.2 | 172.7 | -66.2 | 166.2 | -177.3 | 163.5 | 0 | 112 | E885 | E885-K887 VanDerWaalsContact C-N 3.35Å; E885-K887 PolarHBondContact O-N 3.25Å; E885-K887 VanDerWaalsContact O-N 3.08Å | ||
| 888 | N | 37.4 | Very low | 38.5 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | trans | -142.2 | 106 | 168.6 | -105.2 | -14.7 | 0 | 0 | 0 | 108.4 | K886 F890 | K886-N888 PolarHBondContact O-N 3.49Å; N888-F890 HydrophobicContact CB-CD2 4.3Å; N888-F890 HydrophobicContact CB-CE2 3.96Å; N888-F890 PolarHBondContact O-N 3.01Å | ||
| 889 | S | 34 | Very low | 37.8 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -78.6 | 87.4 | -174.1 | 41 | 0 | 0 | 0 | 0 | 112 | I891 | S889-I891 PolarHBondContact O-N 3.15Š| ||
| 890 | F | 43.5 | Very low | 37.4 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | trans | -77.6 | 69.9 | 171.5 | -75.5 | -78.5 | 0 | 0 | 0 | 111.7 | N888 L892 | N888-F890 HydrophobicContact CB-CD2 4.3Å; N888-F890 HydrophobicContact CB-CE2 3.96Å; N888-F890 PolarHBondContact O-N 3.01Å; F890-L892 PolarHBondContact O-N 3.26Å; F890-L892 VanDerWaalsContact O-N 3.14Å | ||
| 891 | I | 38.6 | Very low | 37.1 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 51% | 0.508 | 76% | 0.762 | S | S | . | * | trans | -63.4 | 111.4 | 165.9 | -51.2 | 173.9 | 0 | 0 | 0 | 107.4 | S889 K893 | S889-I891 PolarHBondContact O-N 3.15Å; I891-K893 HydrophobicContact CB-CG 4.48Å; I891-K893 HydrophobicContact CG2-CG 3.8Å; I891-K893 PolarHBondContact O-N 2.96Å | ||
| 892 | L | 46.7 | Very low | 37.4 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -78.6 | 64.9 | -178.9 | -74.9 | 176.9 | 0 | 0 | 0 | 111.4 | E492 F890 L894 | E492-L892 PolarHBondContact OE2-N 3.2Å; E492-L892 VanDerWaalsContact OE2-N 3.16Å; F890-L892 PolarHBondContact O-N 3.26Å; F890-L892 VanDerWaalsContact O-N 3.14Å; L892-L894 PolarHBondContact O-N 2.84Å | ||
| 893 | K | 37.6 | Very low | 37.5 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | trans | -59.8 | 104.3 | 169.9 | -66.2 | -172.1 | 178.1 | 178.9 | 0 | 108.9 | I891 K895 | I891-K893 HydrophobicContact CB-CG 4.48Å; I891-K893 HydrophobicContact CG2-CG 3.8Å; I891-K893 PolarHBondContact O-N 2.96Å; K893-K895 HydrophobicContact CB-CG 4.46Å; K893-K895 PolarHBondContact O-N 3.12Å | ||
| 894 | L | 41.9 | Very low | 37.6 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -63.2 | 64.9 | 179.8 | -170.1 | 65.4 | 0 | 0 | 0 | 112.6 | L892 K896 | L892-L894 PolarHBondContact O-N 2.84Å; L894-K896 PolarHBondContact O-N 3.1Å; L894-K896 VanDerWaalsContact O-N 3.12Å | ||
| 895 | K | 39.4 | Very low | 37.7 | Very low | 176 Ų | 176 | 154 Ų | 154 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -82.8 | 82.5 | 178.7 | -75.9 | -174.7 | 173.2 | -177 | 0 | 110 | K893 A897 | K893-K895 HydrophobicContact CB-CG 4.46Å; K893-K895 PolarHBondContact O-N 3.12Å; K895-A897 VanDerWaalsContact C-N 3.28Å; K895-A897 PolarHBondContact O-N 2.77Å | ||
| 896 | K | 34.5 | Very low | 37.7 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 20 | 63.1 | 160.1 | -67 | -173.5 | 175.1 | -176.9 | 0 | 114.9 | L894 K898 | L894-K896 PolarHBondContact O-N 3.1Å; L894-K896 VanDerWaalsContact O-N 3.12Å; K896-K898 PolarHBondContact O-N 3.35Å | ||
| 897 | A | 36.8 | Very low | 37.8 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -76.5 | 104.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | K895 | K895-A897 VanDerWaalsContact C-N 3.28Å; K895-A897 PolarHBondContact O-N 2.77Å | ||
| 898 | K | 35.6 | Very low | 38.5 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 146.3 | 168.7 | -67.4 | -174.8 | 175.6 | -172.8 | 0 | 108.7 | K896 | K896-K898 PolarHBondContact O-N 3.35Š|
| 899 | T | 34.4 | Very low | 39.2 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | 43.7 | 170.4 | -30.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 900 | A | 37.7 | Very low | 40.6 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | trans | -90.3 | 125.6 | 139.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | L902 | A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 2.92Å | ||
| 901 | R | 31.5 | Very low | 42 | Very low | 247 Ų | 247 | 134.2 Ų | 134.2 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | trans | -76.5 | 85.2 | 172.5 | -76.4 | -176.6 | 177.1 | 168.3 | -2.3 | 109.2 | ||||
| 902 | L | 43.1 | Very low | 43.6 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 142.1 | 151.8 | -102.4 | 72.9 | 0 | 0 | 0 | 108.1 | A900 S904 | A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 2.92Å; L902-S904 PolarHBondContact O-N 3.46Å |
| 903 | P | 36.5 | Very low | 45.2 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 138.6 | 155.5 | -23.3 | 34.5 | 0 | 0 | 0 | 109.3 | R905 | P903-R905 PolarHBondContact O-N 2.92Š|
| 904 | S | 35.1 | Very low | 47.4 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.7 | -165.6 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | L902 G906 G907 | L902-S904 PolarHBondContact O-N 3.46Å; S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.15Å; S904-G907 PolarHBondContact O-N 3.02Å |
| 905 | R | 40.3 | Very low | 49.7 | Very low | 241 Ų | 241 | 119.9 Ų | 119.9 | 91% | 0.909 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 84.6 | 174.6 | -59.5 | 174.7 | 82.8 | -158.3 | 7.1 | 108.4 | P903 | P903-R905 PolarHBondContact O-N 2.92Š|
| 906 | G | 34.9 | Very low | 52.2 | Low | 76 Ų | 76 | 112 Ų | 112 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.6 | -20.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S904 | S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.15Å |
| 907 | G | 40.4 | Very low | 54.9 | Low | 62 Ų | 62 | 109.8 Ų | 109.8 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -74.1 | 152 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | S904 | S904-G907 PolarHBondContact O-N 3.02Š|
| 908 | L | 48.2 | Very low | 57.6 | Low | 166 Ų | 166 | 108.4 Ų | 108.4 | 87% | 0.869 | 61% | 0.611 | S | S | * | * | trans | -54.2 | 148.8 | 165.1 | -71.7 | 168.7 | 0 | 0 | 0 | 110.1 | A910 | L908-A910 PolarHBondContact O-N 3.21Š| ||
| 909 | P | 53.3 | Low | 60.2 | Low | 68 Ų | 68 | 99 Ų | 99 | 44% | 0.442 | 57% | 0.571 | S | S | . | * | trans | -64.5 | 105.4 | 175.7 | 27.7 | -33.2 | 0 | 0 | 0 | 108.8 | I911 | P909-I911 PolarHBondContact O-N 2.87Š| ||
| 910 | A | 62.9 | Low | 62.9 | Low | 74 Ų | 74 | 92.4 Ų | 92.4 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | trans | -52.7 | 117.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N736 L908 S912 | N736-A910 PolarHBondContact ND2-O 2.89Å; L908-A910 PolarHBondContact O-N 3.21Å; A910-S912 PolarHBondContact O-N 2.59Å | ||
| 911 | I | 72 | Confident | 65.6 | Low | 89 Ų | 89 | 91.7 Ų | 91.7 | 46% | 0.456 | 51% | 0.514 | S | S | . | . | trans | -73.3 | 98.4 | 174.5 | -62.1 | 169.5 | 0 | 0 | 0 | 105.8 | I728 P909 | I728-I911 HydrophobicContact CG2-CG2 3.72Å; P909-I911 PolarHBondContact O-N 2.87Å | ||
| 912 | S | 73.8 | Confident | 68.6 | Low | 26 Ų | 26 | 80.7 Ų | 80.7 | 18% | 0.182 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 136.8 | 170.3 | -41.2 | 0 | 0 | 0 | 0 | 108.7 | S732 N736 L757 A910 | S732-S912 PolarHBondContact OG-O 2.93Å; S732-S912 VanDerWaalsContact OG-O 3.12Å; N736-S912 VanDerWaalsContact CG-OG 3.22Å; N736-S912 PolarHBondContact ND2-OG 3.3Å; N736-S912 PolarHBondContact OD1-OG 3.12Å; L757-S912 WeakPolarHBondContact CD2-O 3.44Å; A910-S912 PolarHBondContact O-N 2.59Å |
| 913 | D | 79.7 | Confident | 71 | Confident | 142 Ų | 142 | 79.2 Ų | 79.2 | 76% | 0.759 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 156.4 | 172.6 | -68.1 | -56.3 | 0 | 0 | 0 | 112.6 | S915 | D913-S915 PolarHBondContact O-N 3.16Š|
| 914 | A | 84 | Confident | 73.6 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 129.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L757 L758 F916 | L757-A914 HydrophobicContact CD2-CB 4.01Å; L757-A914 HydrophobicContact CG-CB 4.13Å; L758-A914 HydrophobicContact CB-CB 3.95Å; L758-A914 HydrophobicContact CD1-CB 4.06Å; A914-F916 PolarHBondContact O-N 3Å |
| 915 | S | 89.6 | Confident | 76.2 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -74.7 | -3.3 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | Q754 L872 D913 | Q754-S915 PolarHBondContact NE2-OG 2.98Å; Q754-S915 VanDerWaalsContact NE2-OG 3.12Å; Q754-S915 PolarHBondContact OE1-OG 2.78Å; L872-S915 WeakPolarHBondContact CD1-O 3.38Å; D913-S915 PolarHBondContact O-N 3.16Å |
| 916 | F | 92.4 | Very high | 78.4 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 4% | 0.044 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 126.9 | 169.6 | -82.9 | -90.5 | 0 | 0 | 0 | 110.4 | Q754 K755 L758 I823 L837 F870 C871 L872 A914 | Q754-F916 HydrophobicContact CB-CD2 3.97Å; Q754-F916 HydrophobicContact CB-CE2 3.72Å; K755-F916 HydrophobicContact CB-CE2 4.2Å; K755-F916 HydrophobicContact CB-CZ 4.44Å; L758-F916 HydrophobicContact CD1-CB 4.12Å; L758-F916 HydrophobicContact CD2-CB 3.67Å; L758-F916 HydrophobicContact CD2-CD1 4.18Å; L758-F916 HydrophobicContact CD2-CD2 4.18Å; L758-F916 HydrophobicContact CD2-CG 3.77Å; L758-F916 HydrophobicContact CG-CB 4.37Å; I823-F916 HydrophobicContact CG2-CD1 4.08Å; I823-F916 HydrophobicContact CG2-CE1 3.89Å; L837-F916 HydrophobicContact CD1-CE1 3.84Å; L837-F916 HydrophobicContact CD1-CZ 3.66Å; F870-F916 HydrophobicContact CB-CB 4.38Å; F870-F916 HydrophobicContact CB-CD1 4.1Å; F870-F916 HydrophobicContact CD1-CB 4.41Å; C871-F916 WeakPolarHBondContact O-CA 3.47Å; L872-F916 HydrophobicContact CB-CD1 3.57Å; L872-F916 HydrophobicContact CB-CD2 3.99Å; L872-F916 HydrophobicContact CB-CE1 3.48Å; L872-F916 VanDerWaalsContact CB-CE1 3.48Å; L872-F916 HydrophobicContact CB-CE2 3.9Å; L872-F916 HydrophobicContact CB-CG 3.81Å; L872-F916 HydrophobicContact CB-CZ 3.65Å; L872-F916 HydrophobicContact CD2-CD2 3.94Å; L872-F916 HydrophobicContact CD2-CE2 3.54Å; L872-F916 HydrophobicContact CD2-CZ 3.89Å; L872-F916 HydrophobicContact CG-CE2 4.38Å; L872-F916 HydrophobicContact CG-CZ 4.44Å; A914-F916 PolarHBondContact O-N 3Å |
| 917 | K | 91.7 | Very high | 80.7 | Confident | 154 Ų | 154 | 60.9 Ų | 60.9 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142.3 | 174.1 | -61.7 | -168.5 | 176.2 | -167.4 | 0 | 110.5 | F870 C871 V919 | F870-K917 WeakPolarHBondContact CA-O 3.25Å; C871-K917 PolarHBondContact N-O 2.72Å; C871-K917 PolarHBondContact O-N 2.96Å; K917-V919 PolarHBondContact O-N 3.21Å |
| 918 | L | 92.6 | Very high | 82.9 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 126.6 | 166.2 | -176.3 | 63.7 | 0 | 0 | 0 | 108.3 | E868 F870 N940 | E868-L918 HydrophobicContact CB-CD1 3.8Å; E868-L918 HydrophobicContact CG-CD1 3.96Å; F870-L918 HydrophobicContact CD1-CB 4.31Å; F870-L918 HydrophobicContact CE1-CB 3.98Å; F870-L918 HydrophobicContact CE1-CD1 4.25Å; F870-L918 HydrophobicContact CE2-CD1 4.16Å; F870-L918 HydrophobicContact CZ-CD1 4.02Å; L918-N940 PolarHBondContact O-ND2 3.39Å |
| 919 | V | 90.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -42.6 | -179.3 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | F822 L869 C871 K917 L939 N940 I943 | F822-V919 HydrophobicContact CE1-CG2 4.32Å; L869-V919 HydrophobicContact CB-CB 4.23Å; L869-V919 HydrophobicContact CD2-CB 4.03Å; L869-V919 HydrophobicContact CD2-CG1 3.87Å; L869-V919 HydrophobicContact CD2-CG2 4.47Å; L869-V919 HydrophobicContact CG-CB 3.94Å; L869-V919 HydrophobicContact CG-CG1 4.35Å; L869-V919 HydrophobicContact CG-CG2 4.13Å; L869-V919 VanDerWaalsContact O-CB 3.26Å; L869-V919 WeakPolarHBondContact O-CB 3.41Å; L869-V919 WeakPolarHBondContact O-CG2 3.47Å; L869-V919 PolarHBondContact O-N 3.02Å; C871-V919 HydrophobicContact CB-CG2 3.3Å; K917-V919 PolarHBondContact O-N 3.21Å; V919-L939 HydrophobicContact CG1-CD2 3.8Å; V919-L939 WeakPolarHBondContact O-CA 3.43Å; V919-N940 PolarHBondContact O-N 3.5Å; V919-I943 HydrophobicContact CB-CD1 4.28Å; V919-I943 HydrophobicContact CG1-CB 4.25Å; V919-I943 HydrophobicContact CG1-CD1 4.04Å; V919-I943 HydrophobicContact CG1-CG2 3.79Å; V919-I943 HydrophobicContact CG2-CD1 3.85Å; V919-I943 HydrophobicContact CG2-CG2 4.26Å |
| 920 | G | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | 166.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L869 E937 | L869-G920 PolarHBondContact N-O 2.91Å; G920-E937 CarbonylContact C-O 3.58Å; G920-E937 WeakPolarHBondContact CA-O 3.04Å |
| 921 | E | 93.9 | Very high | 86.8 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 167.4 | -170.1 | 68.2 | -163.3 | 123.7 | 0 | 0 | 111.9 | F867 E868 E937 N938 | F867-E921 CarbonylContact O-C 3.58Å; F867-E921 VanDerWaalsContact O-CA 3.27Å; F867-E921 WeakPolarHBondContact O-CA 3.39Å; E868-E921 HydrophobicContact CG-CB 4.12Å; E921-E937 HydrophobicContact CG-CB 4.45Å; E921-E937 PolarHBondContact N-O 2.91Å; E921-E937 VanDerWaalsContact N-O 3.11Å; E921-E937 PolarHBondContact O-N 3.47Å; E921-N938 PolarHBondContact OE1-ND2 2.99Å |
| 922 | T | 93.9 | Very high | 87.4 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.5 | 164 | -162.8 | 0 | 0 | 0 | 0 | 111.3 | F867 F934 N935 F949 | F867-T922 HydrophobicContact CB-CG2 3.96Å; F867-T922 HydrophobicContact CD1-CG2 4.38Å; F867-T922 HydrophobicContact CG-CG2 4.44Å; F867-T922 PolarHBondContact N-O 3.13Å; F867-T922 PolarHBondContact O-N 3.25Å; T922-F934 HydrophobicContact CG2-CB 4.34Å; T922-N935 WeakPolarHBondContact CB-O 3.36Å; T922-N935 PolarHBondContact OG1-O 3.5Å; T922-F949 HydrophobicContact CG2-CE1 3.52Å; T922-F949 HydrophobicContact CG2-CZ 3.66Å |
| 923 | K | 93.1 | Very high | 88.2 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.3 | 177 | -66.4 | 178.7 | 169.7 | -149.2 | 0 | 110.5 | E864 N928 | E864-K923 VanDerWaalsContact CD-CE 3.47Å; E864-K923 HydrophobicContact CG-CB 4.26Å; E864-K923 HydrophobicContact CG-CD 4.17Å; E864-K923 HydrophobicContact CG-CG 4.16Å; E864-K923 WeakPolarHBondContact OE1-CE 3.37Å; E864-K923 IonicContact OE1-NZ 2.63Å; E864-K923 PolarHBondContact OE1-NZ 2.73Å; E864-K923 WeakPolarHBondContact OE2-CD 3.49Å; E864-K923 WeakPolarHBondContact OE2-CE 3.06Å; E864-K923 IonicContact OE2-NZ 2.67Å; E864-K923 PolarHBondContact OE2-NZ 3.04Å; K923-N928 PolarHBondContact O-ND2 2.83Å |
| 924 | I | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.4 | 173.7 | -58.4 | 161.8 | 0 | 0 | 0 | 108.3 | L826 F863 L865 F867 N928 V929 F934 M951 | L826-I924 HydrophobicContact CD2-CD1 4.4Å; F863-I924 HydrophobicContact CE2-CG2 4.4Å; L865-I924 HydrophobicContact CB-CB 4.16Å; L865-I924 HydrophobicContact CD2-CB 4.32Å; L865-I924 HydrophobicContact CD2-CD1 4.2Å; L865-I924 HydrophobicContact CD2-CG2 4.42Å; L865-I924 PolarHBondContact N-O 2.8Å; L865-I924 PolarHBondContact O-N 3.19Å; F867-I924 HydrophobicContact CB-CD1 3.97Å; I924-N928 VanDerWaalsContact CA-OD1 3.3Å; I924-N928 WeakPolarHBondContact CA-OD1 3.34Å; I924-V929 HydrophobicContact CG2-CB 4.06Å; I924-V929 HydrophobicContact CG2-CG2 4Å; I924-F934 HydrophobicContact CG1-CD1 4.42Å; I924-F934 HydrophobicContact CG1-CE1 4.15Å; I924-M951 HydrophobicContact CD1-CE 3.71Å; I924-M951 HydrophobicContact CD1-SD 4.11Å; I924-M951 HydrophobicContact CG1-CE 4.43Å |
| 925 | T | 89.9 | Confident | 89.2 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | trans | -137.6 | 165.1 | -178.7 | 67 | 0 | 0 | 0 | 0 | 110 | F863 A927 N928 V929 | F863-T925 WeakPolarHBondContact O-CA 3.24Å; T925-A927 PolarHBondContact O-N 3.21Å; T925-N928 PolarHBondContact N-OD1 2.95Å; T925-N928 PolarHBondContact O-N 2.77Å; T925-N928 PolarHBondContact O-OD1 3.25Å; T925-V929 WeakPolarHBondContact O-CB 3.34Å; T925-V929 PolarHBondContact O-N 2.86Å | ||
| 926 | L | 85.5 | Confident | 89.3 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.6 | -179.9 | -175 | 56.1 | 0 | 0 | 0 | 113.7 | P861 F863 V929 V1072 W1073 | P861-L926 HydrophobicContact CB-CD2 3.86Å; P861-L926 WeakPolarHBondContact O-CB 3.36Å; F863-L926 HydrophobicContact CD1-CB 4.35Å; F863-L926 HydrophobicContact CE1-CB 3.77Å; F863-L926 HydrophobicContact CE1-CD1 4.39Å; L926-V929 HydrophobicContact CD1-CG1 4.31Å; L926-V929 WeakPolarHBondContact O-CG1 3.39Å; L926-V1072 HydrophobicContact CD2-CG1 4.02Å; L926-W1073 HydrophobicContact CD1-CE3 3.69Å; L926-W1073 HydrophobicContact CD1-CZ3 3.81Å |
| 927 | A | 83.5 | Confident | 89.1 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -22.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T925 | T925-A927 PolarHBondContact O-N 3.21Š|
| 928 | N | 86.8 | Confident | 88.6 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -12.5 | -177.4 | 76.5 | 18.9 | 0 | 0 | 0 | 114.7 | K923 I924 T925 R930 R931 F934 | K923-N928 PolarHBondContact O-ND2 2.83Å; I924-N928 VanDerWaalsContact CA-OD1 3.3Å; I924-N928 WeakPolarHBondContact CA-OD1 3.34Å; T925-N928 PolarHBondContact N-OD1 2.95Å; T925-N928 PolarHBondContact O-N 2.77Å; T925-N928 PolarHBondContact O-OD1 3.25Å; N928-R930 PolarHBondContact O-N 3.17Å; N928-R931 VanDerWaalsContact O-CB 3.3Å; N928-R931 WeakPolarHBondContact O-CB 3.38Å; N928-R931 WeakPolarHBondContact O-CG 3.27Å; N928-R931 PolarHBondContact O-N 2.71Å; N928-F934 WeakPolarHBondContact O-CE1 3.42Å; N928-F934 WeakPolarHBondContact O-CZ 3.44Å |
| 929 | V | 83.8 | Confident | 87.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.7 | 179.9 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | L793 F863 I924 T925 L926 S953 C955 | L793-V929 HydrophobicContact CD1-CG2 3.39Å; L793-V929 HydrophobicContact CD2-CG2 3.85Å; L793-V929 HydrophobicContact CG-CG2 4.28Å; F863-V929 HydrophobicContact CZ-CB 4.29Å; F863-V929 HydrophobicContact CZ-CG2 4.31Å; I924-V929 HydrophobicContact CG2-CB 4.06Å; I924-V929 HydrophobicContact CG2-CG2 4Å; T925-V929 WeakPolarHBondContact O-CB 3.34Å; T925-V929 PolarHBondContact O-N 2.86Å; L926-V929 HydrophobicContact CD1-CG1 4.31Å; L926-V929 WeakPolarHBondContact O-CG1 3.39Å; V929-S953 WeakPolarHBondContact O-CB 3.24Å; V929-S953 PolarHBondContact O-OG 2.85Å; V929-C955 VanDerWaalsContact CG1-SG 3.55Å |
| 930 | R | 76.7 | Confident | 87.1 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13.2 | 175.8 | -69.7 | 158.3 | 167.3 | -104.9 | -8.2 | 113.7 | N928 W1073 A1075 | N928-R930 PolarHBondContact O-N 3.17Å; R930-W1073 PolarHBondContact NH2-O 3.42Å; R930-A1075 PolarHBondContact NH1-O 2.98Å; R930-A1075 PolarHBondContact NH2-O 3.16Å |
| 931 | R | 84.9 | Confident | 85.9 | Confident | 159 Ų | 159 | 72.1 Ų | 72.1 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | trans | -75.2 | 141.3 | 175.5 | -60.3 | 177.9 | -176.4 | 176.5 | 0.4 | 109.2 | N928 F934 | N928-R931 VanDerWaalsContact O-CB 3.3Å; N928-R931 WeakPolarHBondContact O-CB 3.38Å; N928-R931 WeakPolarHBondContact O-CG 3.27Å; N928-R931 PolarHBondContact O-N 2.71Å; R931-F934 HydrophobicContact CB-CE1 4.45Å; R931-F934 HydrophobicContact CB-CZ 4.18Å; R931-F934 WeakPolarHBondContact O-CE2 3.11Å; R931-F934 VanDerWaalsContact O-CZ 3.24Å; R931-F934 WeakPolarHBondContact O-CZ 3.04Å | ||
| 932 | S | 86.3 | Confident | 84.9 | Confident | 84 Ų | 84 | 77 Ų | 77 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -89.9 | -6.4 | 173.7 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | L950 M951 | S932-L950 CarbonylContact O-C 3.09Å; S932-L950 VanDerWaalsContact O-CA 3.23Å; S932-L950 WeakPolarHBondContact O-CA 3.48Å; S932-M951 WeakPolarHBondContact CA-O 3.37Å; S932-M951 PolarHBondContact O-N 3.3Å |
| 933 | R | 90.8 | Very high | 84.4 | Confident | 132 Ų | 132 | 77.4 Ų | 77.4 | 50% | 0.498 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 127.5 | -173.3 | -176.8 | 179.4 | -178.9 | 116.7 | -12.8 | 109.5 | M948 F949 L950 | R933-M948 PolarHBondContact NH2-SD 3.39Å; R933-F949 WeakPolarHBondContact CA-O 3.05Å; R933-L950 HydrophobicContact CB-CD2 3.75Å; R933-L950 HydrophobicContact CG-CD2 3.85Å |
| 934 | F | 91.8 | Very high | 84 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137 | -177.6 | -62.9 | -95.2 | 0 | 0 | 0 | 109.2 | T922 I924 N928 R931 M948 F949 M951 | T922-F934 HydrophobicContact CG2-CB 4.34Å; I924-F934 HydrophobicContact CG1-CD1 4.42Å; I924-F934 HydrophobicContact CG1-CE1 4.15Å; N928-F934 WeakPolarHBondContact O-CE1 3.42Å; N928-F934 WeakPolarHBondContact O-CZ 3.44Å; R931-F934 HydrophobicContact CB-CE1 4.45Å; R931-F934 HydrophobicContact CB-CZ 4.18Å; R931-F934 WeakPolarHBondContact O-CE2 3.11Å; R931-F934 VanDerWaalsContact O-CZ 3.24Å; R931-F934 WeakPolarHBondContact O-CZ 3.04Å; F934-M948 CarbonylContact O-C 3.51Å; F934-M948 WeakPolarHBondContact O-CA 3.4Å; F934-M948 WeakPolarHBondContact O-CB 3.3Å; F934-F949 HydrophobicContact CB-CD1 4Å; F934-F949 HydrophobicContact CB-CD2 4.44Å; F934-F949 HydrophobicContact CB-CE1 3.49Å; F934-F949 VanDerWaalsContact CB-CE1 3.49Å; F934-F949 HydrophobicContact CB-CE2 3.98Å; F934-F949 HydrophobicContact CB-CG 4.45Å; F934-F949 HydrophobicContact CB-CZ 3.48Å; F934-F949 VanDerWaalsContact CB-CZ 3.48Å; F934-F949 HydrophobicContact CD2-CD2 4.35Å; F934-F949 AromaticContact CD2-CE2 3.75Å; F934-F949 HydrophobicContact CD2-CE2 3.75Å; F934-F949 AromaticContact CD2-CZ 4Å; F934-F949 HydrophobicContact CD2-CZ 4Å; F934-F949 HydrophobicContact CG-CE1 4.3Å; F934-F949 HydrophobicContact CG-CE2 4.04Å; F934-F949 AromaticContact CG-CZ 3.78Å; F934-F949 HydrophobicContact CG-CZ 3.78Å; F934-F949 PolarHBondContact N-O 3.46Å; F934-F949 PolarHBondContact O-N 3.4Å; F934-M951 HydrophobicContact CD2-CB 4.33Å; F934-M951 HydrophobicContact CD2-CE 4.29Å; F934-M951 HydrophobicContact CE2-CB 4.15Å; F934-M951 HydrophobicContact CE2-CE 3.49Å; F934-M951 VanDerWaalsContact CE2-CE 3.49Å; F934-M951 HydrophobicContact CZ-CE 3.7Å |
| 935 | N | 92.4 | Very high | 83.9 | Confident | 112 Ų | 112 | 73 Ų | 73 | 60% | 0.599 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 148 | 172.7 | -62.4 | -23.8 | 0 | 0 | 0 | 109.1 | T922 | T922-N935 WeakPolarHBondContact CB-O 3.36Å; T922-N935 PolarHBondContact OG1-O 3.5Å |
| 936 | L | 91.4 | Very high | 83.7 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 126.6 | 173.6 | -69 | 167.3 | 0 | 0 | 0 | 109.4 | F867 L869 L939 V945 G947 F949 | F867-L936 HydrophobicContact CD1-CD2 3.96Å; F867-L936 HydrophobicContact CE1-CD2 3.86Å; L869-L936 HydrophobicContact CD2-CD1 3.84Å; L936-L939 HydrophobicContact CB-CD1 3.84Å; L936-L939 HydrophobicContact CB-CD2 3.83Å; L936-L939 HydrophobicContact CB-CG 3.7Å; L936-L939 HydrophobicContact CD1-CD2 4.12Å; L936-L939 WeakPolarHBondContact O-CG 3.39Å; L936-V945 HydrophobicContact CD1-CG1 4.43Å; L936-G947 PolarHBondContact N-O 3.48Å; L936-F949 HydrophobicContact CD1-CD1 4.32Å; L936-F949 HydrophobicContact CD2-CD1 3.66Å; L936-F949 HydrophobicContact CD2-CE1 3.68Å; L936-F949 HydrophobicContact CG-CD1 3.87Å; L936-F949 HydrophobicContact CG-CE1 4.31Å |
| 937 | E | 88.5 | Confident | 83.7 | Confident | 111 Ų | 111 | 75.3 Ų | 75.3 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 162.9 | 172.2 | -69.7 | 160.5 | -137.2 | 0 | 0 | 109.9 | G920 E921 L939 | G920-E937 CarbonylContact C-O 3.58Å; G920-E937 WeakPolarHBondContact CA-O 3.04Å; E921-E937 HydrophobicContact CG-CB 4.45Å; E921-E937 PolarHBondContact N-O 2.91Å; E921-E937 VanDerWaalsContact N-O 3.11Å; E921-E937 PolarHBondContact O-N 3.47Å; E937-L939 PolarHBondContact O-N 3.44Å; E937-L939 VanDerWaalsContact O-N 3.14Å |
| 938 | N | 81.1 | Confident | 84.1 | Confident | 117 Ų | 117 | 72 Ų | 72 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 56.5 | 28.3 | 176.6 | -61.7 | -31.6 | 0 | 0 | 0 | 115.7 | E921 N940 | E921-N938 PolarHBondContact OE1-ND2 2.99Å; N938-N940 PolarHBondContact O-N 2.87Å |
| 939 | L | 78.2 | Confident | 84.4 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | trans | -66.9 | 115.3 | -175.3 | -85.1 | -179.4 | 0 | 0 | 0 | 114.9 | V919 L936 E937 M941 | V919-L939 HydrophobicContact CG1-CD2 3.8Å; V919-L939 WeakPolarHBondContact O-CA 3.43Å; L936-L939 HydrophobicContact CB-CD1 3.84Å; L936-L939 HydrophobicContact CB-CD2 3.83Å; L936-L939 HydrophobicContact CB-CG 3.7Å; L936-L939 HydrophobicContact CD1-CD2 4.12Å; L936-L939 WeakPolarHBondContact O-CG 3.39Å; E937-L939 PolarHBondContact O-N 3.44Å; E937-L939 VanDerWaalsContact O-N 3.14Å; L939-M941 PolarHBondContact O-N 2.74Å; L939-M941 VanDerWaalsContact O-N 3.16Å | ||
| 940 | N | 74.2 | Confident | 84.8 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | trans | -64.4 | 111.3 | 172.6 | -83.6 | -63.1 | 0 | 0 | 0 | 112.2 | L918 V919 N938 L942 I943 | L918-N940 PolarHBondContact O-ND2 3.39Å; V919-N940 PolarHBondContact O-N 3.5Å; N938-N940 PolarHBondContact O-N 2.87Å; N940-L942 PolarHBondContact O-N 2.89Å; N940-I943 HydrophobicContact CB-CD1 3.78Å; N940-I943 HydrophobicContact CB-CG1 3.96Å; N940-I943 PolarHBondContact O-N 3.23Å | ||
| 941 | M | 65.6 | Low | 85.5 | Confident | 151 Ų | 151 | 67.2 Ų | 67.2 | 74% | 0.744 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11.9 | -173.5 | -76.1 | -65.4 | -77.9 | 0 | 0 | 115.7 | R803 L939 | R803-M941 PolarHBondContact NH1-O 3.16Å; R803-M941 PolarHBondContact NH2-O 3.44Å; L939-M941 PolarHBondContact O-N 2.74Å; L939-M941 VanDerWaalsContact O-N 3.16Å |
| 942 | L | 73.4 | Confident | 85.6 | Confident | 163 Ų | 163 | 64.3 Ų | 64.3 | 85% | 0.853 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -15.5 | 176 | -62.6 | 174.8 | 0 | 0 | 0 | 114.4 | N940 | N940-L942 PolarHBondContact O-N 2.89Š|
| 943 | I | 83.1 | Confident | 85.6 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -89.7 | 140.4 | -169.6 | -57.7 | -170.5 | 0 | 0 | 0 | 110.4 | R803 F822 V919 N940 V945 | R803-I943 PolarHBondContact NE-O 2.95Å; R803-I943 PolarHBondContact NH2-O 2.69Å; F822-I943 HydrophobicContact CE1-CG2 3.85Å; F822-I943 HydrophobicContact CZ-CG2 3.9Å; V919-I943 HydrophobicContact CB-CD1 4.28Å; V919-I943 HydrophobicContact CG1-CB 4.25Å; V919-I943 HydrophobicContact CG1-CD1 4.04Å; V919-I943 HydrophobicContact CG1-CG2 3.79Å; V919-I943 HydrophobicContact CG2-CD1 3.85Å; V919-I943 HydrophobicContact CG2-CG2 4.26Å; N940-I943 HydrophobicContact CB-CD1 3.78Å; N940-I943 HydrophobicContact CB-CG1 3.96Å; N940-I943 PolarHBondContact O-N 3.23Å; I943-V945 PolarHBondContact O-N 3.18Å |
| 944 | P | 84.8 | Confident | 85.2 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -73.3 | 20.4 | -166.4 | 28.5 | -37.5 | 0 | 0 | 0 | 117.2 | L802 R803 Y806 Y820 F822 T840 | L802-P944 CarbonylContact C-O 3.59Å; L802-P944 VanDerWaalsContact CA-O 3.27Å; L802-P944 WeakPolarHBondContact CA-O 3.38Å; L802-P944 HydrophobicContact CD2-CB 4.42Å; L802-P944 WeakPolarHBondContact CD2-O 3.09Å; R803-P944 PolarHBondContact N-O 2.95Å; Y806-P944 HydrophobicContact CD1-CB 3.54Å; Y806-P944 HydrophobicContact CD1-CG 4.31Å; Y806-P944 HydrophobicContact CD2-CB 3.59Å; Y806-P944 HydrophobicContact CD2-CG 4.3Å; Y806-P944 HydrophobicContact CE1-CB 3.97Å; Y806-P944 HydrophobicContact CE1-CG 4.24Å; Y806-P944 HydrophobicContact CE2-CB 4Å; Y806-P944 HydrophobicContact CE2-CG 4.22Å; Y806-P944 HydrophobicContact CG-CB 3.34Å; Y806-P944 HydrophobicContact CG-CG 4.34Å; Y820-P944 HydrophobicContact CD1-CG 4.48Å; Y820-P944 HydrophobicContact CD2-CG 4.08Å; Y820-P944 HydrophobicContact CE2-CG 4.43Å; Y820-P944 HydrophobicContact CG-CG 4.11Å; F822-P944 HydrophobicContact CE2-CG 4.47Å; F822-P944 HydrophobicContact CZ-CG 4.12Å; T840-P944 HydrophobicContact CG2-CG 4.41Å |
| 945 | V | 89.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -95.1 | 144.3 | -178.9 | 171 | 0 | 0 | 0 | 0 | 111.4 | I800 L802 R803 F822 L869 L936 I943 | I800-V945 HydrophobicContact CG2-CB 4.33Å; I800-V945 HydrophobicContact CG2-CG1 3.52Å; I800-V945 HydrophobicContact CG2-CG2 3.89Å; L802-V945 HydrophobicContact CD2-CG2 4.46Å; R803-V945 WeakPolarHBondContact CG-O 3.47Å; R803-V945 PolarHBondContact NE-O 3.17Å; R803-V945 PolarHBondContact NH2-O 2.63Å; F822-V945 HydrophobicContact CE1-CG2 3.75Å; F822-V945 HydrophobicContact CZ-CG2 3.93Å; L869-V945 HydrophobicContact CD2-CG1 4.49Å; L869-V945 HydrophobicContact CD2-CG2 4.24Å; L936-V945 HydrophobicContact CD1-CG1 4.43Å; I943-V945 PolarHBondContact O-N 3.18Å |
| 946 | E | 84.5 | Confident | 83.3 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 49% | 0.486 | 31% | 0.305 | S | S | . | . | trans | -69.1 | -43.2 | -171.6 | -168.8 | -179 | 150 | 0 | 0 | 114.9 | P801 M948 | P801-E946 HydrophobicContact CB-CB 4.19Å; P801-E946 WeakPolarHBondContact CB-OE2 3.48Å; P801-E946 HydrophobicContact CG-CB 3.99Å; P801-E946 PolarHBondContact O-N 3.43Å; E946-M948 HydrophobicContact CG-CE 4.18Å | ||
| 947 | G | 87.2 | Confident | 82.2 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 160.8 | -7.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L936 | L936-G947 PolarHBondContact N-O 3.48Š|
| 948 | M | 91.1 | Very high | 81 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 170.1 | -149.9 | 61.2 | -165.4 | 70.8 | 0 | 0 | 111.7 | P801 R933 F934 E946 | P801-M948 HydrophobicContact CG-CG 3.69Å; P801-M948 HydrophobicContact CG-SD 4.27Å; R933-M948 PolarHBondContact NH2-SD 3.39Å; F934-M948 CarbonylContact O-C 3.51Å; F934-M948 WeakPolarHBondContact O-CA 3.4Å; F934-M948 WeakPolarHBondContact O-CB 3.3Å; E946-M948 HydrophobicContact CG-CE 4.18Å |
| 949 | F | 92.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 161.2 | 162.7 | 64.9 | -80.8 | 0 | 0 | 0 | 111.5 | I798 I800 F867 T922 R933 F934 L936 M951 | I798-F949 HydrophobicContact CG2-CD2 4.38Å; I800-F949 HydrophobicContact CD1-CB 4.43Å; I800-F949 HydrophobicContact CG1-CB 3.83Å; F867-F949 HydrophobicContact CB-CZ 4.24Å; F867-F949 HydrophobicContact CD1-CD1 4.19Å; F867-F949 AromaticContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE2 4.48Å; F867-F949 AromaticContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD2-CE1 4.38Å; F867-F949 AromaticContact CD2-CE2 3.93Å; F867-F949 HydrophobicContact CD2-CE2 3.93Å; F867-F949 AromaticContact CD2-CZ 3.74Å; F867-F949 HydrophobicContact CD2-CZ 3.74Å; F867-F949 AromaticContact CE1-CD1 3.76Å; F867-F949 HydrophobicContact CE1-CD1 3.76Å; F867-F949 AromaticContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE2 4.39Å; F867-F949 HydrophobicContact CE1-CG 4.25Å; F867-F949 AromaticContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE2-CD2 4.13Å; F867-F949 HydrophobicContact CE2-CE1 4.41Å; F867-F949 AromaticContact CE2-CE2 3.8Å; F867-F949 HydrophobicContact CE2-CE2 3.8Å; F867-F949 AromaticContact CE2-CZ 3.94Å; F867-F949 HydrophobicContact CE2-CZ 3.94Å; F867-F949 AromaticContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE2 4.28Å; F867-F949 AromaticContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CZ-CD1 4.05Å; F867-F949 HydrophobicContact CZ-CD2 4.06Å; F867-F949 HydrophobicContact CZ-CE1 4.04Å; F867-F949 HydrophobicContact CZ-CE2 4.05Å; F867-F949 HydrophobicContact CZ-CG 4.06Å; F867-F949 HydrophobicContact CZ-CZ 4.03Å; T922-F949 HydrophobicContact CG2-CE1 3.52Å; T922-F949 HydrophobicContact CG2-CZ 3.66Å; R933-F949 WeakPolarHBondContact CA-O 3.05Å; F934-F949 HydrophobicContact CB-CD1 4Å; F934-F949 HydrophobicContact CB-CD2 4.44Å; F934-F949 HydrophobicContact CB-CE1 3.49Å; F934-F949 VanDerWaalsContact CB-CE1 3.49Å; F934-F949 HydrophobicContact CB-CE2 3.98Å; F934-F949 HydrophobicContact CB-CG 4.45Å; F934-F949 HydrophobicContact CB-CZ 3.48Å; F934-F949 VanDerWaalsContact CB-CZ 3.48Å; F934-F949 HydrophobicContact CD2-CD2 4.35Å; F934-F949 AromaticContact CD2-CE2 3.75Å; F934-F949 HydrophobicContact CD2-CE2 3.75Å; F934-F949 AromaticContact CD2-CZ 4Å; F934-F949 HydrophobicContact CD2-CZ 4Å; F934-F949 HydrophobicContact CG-CE1 4.3Å; F934-F949 HydrophobicContact CG-CE2 4.04Å; F934-F949 AromaticContact CG-CZ 3.78Å; F934-F949 HydrophobicContact CG-CZ 3.78Å; F934-F949 PolarHBondContact N-O 3.46Å; F934-F949 PolarHBondContact O-N 3.4Å; L936-F949 HydrophobicContact CD1-CD1 4.32Å; L936-F949 HydrophobicContact CD2-CD1 3.66Å; L936-F949 HydrophobicContact CD2-CE1 3.68Å; L936-F949 HydrophobicContact CG-CD1 3.87Å; L936-F949 HydrophobicContact CG-CE1 4.31Å; F949-M951 HydrophobicContact CD2-CB 4.06Å; F949-M951 HydrophobicContact CE2-CB 3.97Å; F949-M951 HydrophobicContact CE2-SD 4.11Å |
| 950 | L | 92.3 | Very high | 78.6 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 146.9 | 168.3 | -57.8 | 173.5 | 0 | 0 | 0 | 108.9 | I798 S799 F847 S932 R933 | I798-L950 CarbonylContact C-O 3.57Å; I798-L950 WeakPolarHBondContact CA-O 3.35Å; S799-L950 PolarHBondContact N-O 3.42Å; S799-L950 PolarHBondContact O-N 2.89Å; F847-L950 HydrophobicContact CE1-CD1 4.22Å; S932-L950 CarbonylContact O-C 3.09Å; S932-L950 VanDerWaalsContact O-CA 3.23Å; S932-L950 WeakPolarHBondContact O-CA 3.48Å; R933-L950 HydrophobicContact CB-CD2 3.75Å; R933-L950 HydrophobicContact CG-CD2 3.85Å |
| 951 | M | 92 | Very high | 77.4 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 144.1 | 179.8 | -177.1 | 177.9 | 75 | 0 | 0 | 109.5 | V795 I798 I924 S932 F934 F949 S953 | V795-M951 HydrophobicContact CB-SD 4.42Å; V795-M951 HydrophobicContact CG1-CG 3.85Å; V795-M951 HydrophobicContact CG1-SD 3.52Å; V795-M951 VanDerWaalsContact CG1-SD 3.52Å; V795-M951 HydrophobicContact CG2-CE 4.4Å; V795-M951 HydrophobicContact CG2-SD 4.04Å; I798-M951 HydrophobicContact CG1-CG 4.07Å; I798-M951 HydrophobicContact CG1-SD 4.47Å; I924-M951 HydrophobicContact CD1-CE 3.71Å; I924-M951 HydrophobicContact CD1-SD 4.11Å; I924-M951 HydrophobicContact CG1-CE 4.43Å; S932-M951 WeakPolarHBondContact CA-O 3.37Å; S932-M951 PolarHBondContact O-N 3.3Å; F934-M951 HydrophobicContact CD2-CB 4.33Å; F934-M951 HydrophobicContact CD2-CE 4.29Å; F934-M951 HydrophobicContact CE2-CB 4.15Å; F934-M951 HydrophobicContact CE2-CE 3.49Å; F934-M951 VanDerWaalsContact CE2-CE 3.49Å; F934-M951 HydrophobicContact CZ-CE 3.7Å; F949-M951 HydrophobicContact CD2-CB 4.06Å; F949-M951 HydrophobicContact CE2-CB 3.97Å; F949-M951 HydrophobicContact CE2-SD 4.11Å; M951-S953 WeakPolarHBondContact CE-OG 3.16Å |
| 952 | R | 87.3 | Confident | 76.5 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 108.7 | 171.3 | -159.8 | 178.1 | -166.5 | -151.7 | -0.4 | 108.9 | D395 A796 H797 | D395-R952 IonicContact OD1-CZ 3.6Å; D395-R952 IonicContact OD1-NH1 3.44Å; D395-R952 PolarHBondContact OD1-NH1 2.69Å; D395-R952 IonicContact OD1-NH2 2.71Å; D395-R952 IonicContact OD2-CZ 2.69Å; D395-R952 IonicContact OD2-NH1 2.7Å; D395-R952 PolarHBondContact OD2-NH1 3.42Å; D395-R952 IonicContact OD2-NH2 2.69Å; D395-R952 PolarHBondContact OD2-NH2 2.87Å; A796-R952 PolarHBondContact N-O 3.27Å; A796-R952 PolarHBondContact O-N 2.88Å; H797-R952 HydrophobicContact CB-CB 4.33Å |
| 953 | S | 86.4 | Confident | 75.7 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 148.1 | 179.7 | 23.3 | 0 | 0 | 0 | 0 | 111.8 | T794 V929 M951 | T794-S953 CarbonylContact O-C 3.59Å; T794-S953 VanDerWaalsContact O-CA 3.25Å; T794-S953 WeakPolarHBondContact O-CA 3.48Å; V929-S953 WeakPolarHBondContact O-CB 3.24Å; V929-S953 PolarHBondContact O-OG 2.85Å; M951-S953 WeakPolarHBondContact CE-OG 3.16Å |
| 954 | R | 80.9 | Confident | 74.5 | Confident | 134 Ų | 134 | 49.9 Ų | 49.9 | 51% | 0.506 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.6 | 172.6 | -69.2 | -171.2 | 172.2 | -179.7 | 1.7 | 109.9 | D395 L793 T794 | D395-R954 IonicContact OD2-CZ 3.29Å; D395-R954 IonicContact OD2-NH1 3.45Å; D395-R954 IonicContact OD2-NH2 3.87Å; D395-R954 PolarHBondContact OD2-NH2 3.47Å; L793-R954 WeakPolarHBondContact CA-O 3.47Å; L793-R954 WeakPolarHBondContact CD1-O 3.48Å; T794-R954 PolarHBondContact N-O 3.4Å; T794-R954 PolarHBondContact O-N 3.33Å |
| 955 | C | 76.1 | Confident | 73.7 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.5 | 171 | -68.7 | 0 | 0 | 0 | 0 | 109.6 | T792 V929 W1073 | T792-C955 WeakPolarHBondContact O-CA 3.39Å; V929-C955 VanDerWaalsContact CG1-SG 3.55Å; C955-W1073 HydrophobicContact CB-CE3 3.98Å |
| 956 | C | 68.8 | Low | 73.2 | Confident | 63 Ų | 63 | 54 Ų | 54 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.3 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 108.7 | G791 T792 H958 | G791-C956 CarbonylContact C-O 3.58Å; G791-C956 WeakPolarHBondContact CA-O 3.43Å; T792-C956 PolarHBondContact N-O 3Å; T792-C956 PolarHBondContact O-N 3.33Å; C956-H958 PolarHBondContact O-N 3.11Å |
| 957 | P | 67.5 | Low | 73.4 | Confident | 17 Ų | 17 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | trans | -72 | 100.2 | -179.4 | 29.5 | -34.8 | 0 | 0 | 0 | 111.1 | L790 T959 V960 F1069 W1073 | L790-P957 CarbonylContact O-C 3.56Å; P957-T959 PolarHBondContact O-N 3.48Å; P957-T959 VanDerWaalsContact O-N 3.16Å; P957-V960 HydrophobicContact CB-CB 4.49Å; P957-V960 HydrophobicContact CB-CG2 3.8Å; P957-V960 HydrophobicContact CG-CB 4.17Å; P957-V960 HydrophobicContact CG-CG2 3.66Å; P957-V960 WeakPolarHBondContact O-CB 3.4Å; P957-V960 PolarHBondContact O-N 3.14Å; P957-F1069 HydrophobicContact CB-CB 4.14Å; P957-W1073 HydrophobicContact CB-CB 4.17Å; P957-W1073 HydrophobicContact CB-CG 4.13Å | ||
| 958 | H | 64.4 | Low | 73.5 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51 | -39.7 | 179.9 | -171.5 | 91.7 | 0 | 0 | 0 | 112.4 | L790 T792 D857 C956 V960 L961 A962 | L790-H958 HydrophobicContact CB-CB 4.28Å; L790-H958 PolarHBondContact O-N 3.11Å; T792-H958 PolarHBondContact OG1-ND1 3.15Å; D857-H958 IonicContact OD1-CE1 2.74Å; D857-H958 IonicContact OD1-ND1 3.55Å; C956-H958 PolarHBondContact O-N 3.11Å; H958-V960 PolarHBondContact O-N 3.5Å; H958-L961 WeakPolarHBondContact O-CB 3.22Å; H958-L961 PolarHBondContact O-N 3.42Å; H958-A962 PolarHBondContact O-N 2.97Å; H958-A962 VanDerWaalsContact O-N 3.15Å |
| 959 | T | 53.9 | Low | 73.5 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -27 | -179.7 | -32.6 | 0 | 0 | 0 | 0 | 112.7 | L790 P957 L961 A962 L963 F1069 | L790-T959 WeakPolarHBondContact CA-OG1 3.19Å; L790-T959 WeakPolarHBondContact CB-OG1 3.4Å; L790-T959 PolarHBondContact N-OG1 2.85Å; L790-T959 PolarHBondContact O-N 2.83Å; L790-T959 VanDerWaalsContact O-N 3.12Å; L790-T959 PolarHBondContact O-OG1 2.8Å; P957-T959 PolarHBondContact O-N 3.48Å; P957-T959 VanDerWaalsContact O-N 3.16Å; T959-L961 VanDerWaalsContact C-N 3.3Å; T959-L961 PolarHBondContact O-N 3.38Å; T959-A962 PolarHBondContact O-N 3.29Å; T959-L963 WeakPolarHBondContact O-CB 3.24Å; T959-L963 VanDerWaalsContact O-CG 3.29Å; T959-L963 WeakPolarHBondContact O-CG 3.32Å; T959-L963 PolarHBondContact O-N 2.77Å; T959-F1069 VanDerWaalsContact CB-CE2 3.43Å; T959-F1069 HydrophobicContact CG2-CD2 4.14Å; T959-F1069 HydrophobicContact CG2-CE2 3.34Å; T959-F1069 HydrophobicContact CG2-CZ 3.7Å |
| 960 | V | 54 | Low | 73.4 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.1 | -20.4 | 177.3 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | P957 H958 E987 V1066 F1069 | P957-V960 HydrophobicContact CB-CB 4.49Å; P957-V960 HydrophobicContact CB-CG2 3.8Å; P957-V960 HydrophobicContact CG-CB 4.17Å; P957-V960 HydrophobicContact CG-CG2 3.66Å; P957-V960 WeakPolarHBondContact O-CB 3.4Å; P957-V960 PolarHBondContact O-N 3.14Å; H958-V960 PolarHBondContact O-N 3.5Å; V960-E987 VanDerWaalsContact CG1-C 3.46Å; V960-V1066 HydrophobicContact CG1-CG1 4.45Å; V960-V1066 HydrophobicContact CG1-CG2 4.25Å; V960-V1066 HydrophobicContact CG2-CG2 4.39Å; V960-F1069 HydrophobicContact CG2-CB 3.92Å; V960-F1069 HydrophobicContact CG2-CD2 3.75Å; V960-F1069 HydrophobicContact CG2-CG 4.36Å |
| 961 | L | 50 | Low | 73.4 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 57% | 0.571 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -83.6 | -32.8 | 170.1 | -52.9 | -178.5 | 0 | 0 | 0 | 112.1 | H958 T959 E987 | H958-L961 WeakPolarHBondContact O-CB 3.22Å; H958-L961 PolarHBondContact O-N 3.42Å; T959-L961 VanDerWaalsContact C-N 3.3Å; T959-L961 PolarHBondContact O-N 3.38Å; L961-E987 HydrophobicContact CD2-CG 3.41Å; L961-E987 VanDerWaalsContact CD2-CG 3.41Å |
| 962 | A | 47.4 | Very low | 73.3 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 60% | 0.595 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -86.6 | -21.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H958 T959 K964 | H958-A962 PolarHBondContact O-N 2.97Å; H958-A962 VanDerWaalsContact O-N 3.15Å; T959-A962 PolarHBondContact O-N 3.29Å; A962-K964 PolarHBondContact O-N 2.83Å |
| 963 | L | 54.9 | Low | 73.4 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -58.3 | 124.3 | 170 | -86 | 171.9 | 0 | 0 | 0 | 109.5 | T959 V1066 F1069 | T959-L963 WeakPolarHBondContact O-CB 3.24Å; T959-L963 VanDerWaalsContact O-CG 3.29Å; T959-L963 WeakPolarHBondContact O-CG 3.32Å; T959-L963 PolarHBondContact O-N 2.77Å; L963-V1066 HydrophobicContact CD1-CG2 3.92Å; L963-F1069 HydrophobicContact CD1-CD2 4.33Å; L963-F1069 HydrophobicContact CD1-CE2 3.83Å; L963-F1069 HydrophobicContact CG-CE2 4.45Å |
| 964 | K | 59.1 | Low | 73.1 | Confident | 173 Ų | 173 | 52.9 Ų | 52.9 | 75% | 0.752 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 123.6 | 169.2 | 179.7 | -174.6 | 177.5 | -174.3 | 0 | 107.9 | A962 E966 | A962-K964 PolarHBondContact O-N 2.83Å; K964-E966 PolarHBondContact O-N 2.85Å; K964-E966 VanDerWaalsContact O-N 3.09Å |
| 965 | P | 67.4 | Low | 72.9 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -63 | 118.1 | -177.1 | 23.9 | -33.5 | 0 | 0 | 0 | 109.3 | K967 V984 L985 | P965-K967 WeakPolarHBondContact O-CG 3.29Å; P965-V984 HydrophobicContact CB-CG1 4.11Å; P965-L985 WeakPolarHBondContact CA-O 3.35Å; P965-L985 WeakPolarHBondContact CB-O 3.32Å |
| 966 | E | 80.1 | Confident | 73 | Confident | 41 Ų | 41 | 57 Ų | 57 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 134.5 | 178.3 | -167.4 | 66.5 | -175.1 | 0 | 0 | 108.5 | K964 V984 L985 W1059 N1062 | K964-E966 PolarHBondContact O-N 2.85Å; K964-E966 VanDerWaalsContact O-N 3.09Å; E966-V984 WeakPolarHBondContact O-CA 3.47Å; E966-L985 PolarHBondContact O-N 3.21Å; E966-W1059 HydrophobicContact CB-CZ3 4.41Å; E966-W1059 HydrophobicContact CG-CD2 4.36Å; E966-W1059 HydrophobicContact CG-CE3 4.44Å; E966-W1059 HydrophobicContact CG-CH2 4.47Å; E966-W1059 HydrophobicContact CG-CZ2 4.4Å; E966-W1059 HydrophobicContact CG-CZ3 4.5Å; E966-N1062 WeakPolarHBondContact CG-ND2 3.48Å; E966-N1062 PolarHBondContact OE2-ND2 2.83Å |
| 967 | K | 87.1 | Confident | 73.9 | Confident | 103 Ų | 103 | 58 Ų | 58 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.5 | -176.3 | -47.8 | -166.9 | 178.6 | -173.1 | 0 | 110.2 | P965 W982 C983 V984 | P965-K967 WeakPolarHBondContact O-CG 3.29Å; K967-W982 HydrophobicContact CB-CH2 4.06Å; K967-W982 HydrophobicContact CB-CZ2 3.58Å; K967-W982 HydrophobicContact CD-CZ2 4.42Å; K967-C983 WeakPolarHBondContact CA-O 3.28Å; K967-V984 HydrophobicContact CB-CG2 4.49Å; K967-V984 HydrophobicContact CD-CG1 4.36Å; K967-V984 HydrophobicContact CD-CG2 3.96Å; K967-V984 HydrophobicContact CG-CG1 4.15Å; K967-V984 HydrophobicContact CG-CG2 3.99Å |
| 968 | G | 89.5 | Confident | 74.8 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C983 | G968-C983 PolarHBondContact N-O 2.67Å; G968-C983 PolarHBondContact O-N 2.9Å |
| 969 | F | 91.5 | Very high | 76.1 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.2 | 172.7 | -66.1 | -81.9 | 0 | 0 | 0 | 110.8 | L980 Y981 W982 P996 | F969-L980 HydrophobicContact CB-CD1 3.94Å; F969-L980 HydrophobicContact CB-CD2 4.48Å; F969-L980 HydrophobicContact CB-CG 4.24Å; F969-L980 HydrophobicContact CD1-CD2 4.13Å; F969-L980 HydrophobicContact CD1-CG 4.15Å; F969-L980 HydrophobicContact CG-CD2 4.44Å; F969-Y981 VanDerWaalsContact CA-O 3.28Å; F969-Y981 WeakPolarHBondContact CA-O 3.43Å; F969-W982 HydrophobicContact CD1-CB 4.23Å; F969-W982 AromaticContact CD1-CE3 4Å; F969-W982 HydrophobicContact CD1-CE3 4Å; F969-W982 AromaticContact CD2-CE3 3.8Å; F969-W982 HydrophobicContact CD2-CE3 3.8Å; F969-W982 AromaticContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CE1-CB 3.99Å; F969-W982 AromaticContact CE1-CE3 3.83Å; F969-W982 HydrophobicContact CE1-CE3 3.83Å; F969-W982 AromaticContact CE2-CE3 3.62Å; F969-W982 HydrophobicContact CE2-CE3 3.62Å; F969-W982 AromaticContact CE2-CZ3 3.72Å; F969-W982 HydrophobicContact CE2-CZ3 3.72Å; F969-W982 AromaticContact CG-CE3 3.98Å; F969-W982 HydrophobicContact CG-CE3 3.98Å; F969-W982 AromaticContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CZ3 4.16Å; F969-P996 HydrophobicContact CE1-CG 4.45Å; F969-P996 HydrophobicContact CZ-CG 3.8Å |
| 970 | L | 91.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.2 | 167.7 | -68 | 173 | 0 | 0 | 0 | 109.5 | Y981 C983 L1048 A1050 W1059 | L970-Y981 PolarHBondContact N-O 2.87Å; L970-Y981 PolarHBondContact O-N 2.81Å; L970-C983 HydrophobicContact CD1-CB 4.16Å; L970-C983 HydrophobicContact CG-CB 4.44Å; L970-L1048 HydrophobicContact CD1-CB 4.45Å; L970-L1048 HydrophobicContact CD1-CD1 4.36Å; L970-A1050 HydrophobicContact CD2-CB 3.85Å; L970-W1059 HydrophobicContact CD1-CD2 3.83Å; L970-W1059 HydrophobicContact CD1-CE3 4.08Å; L970-W1059 HydrophobicContact CD1-CG 4.26Å; L970-W1059 HydrophobicContact CD1-CH2 4.38Å; L970-W1059 HydrophobicContact CD1-CZ2 4.13Å; L970-W1059 HydrophobicContact CD1-CZ3 4.34Å; L970-W1059 HydrophobicContact CD2-CD2 4.37Å; L970-W1059 HydrophobicContact CD2-CG 4.06Å; L970-W1059 HydrophobicContact CG-CD2 4.31Å; L970-W1059 HydrophobicContact CG-CZ2 4.27Å |
| 971 | N | 91.7 | Very high | 79.7 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 9% | 0.086 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.7 | 168.8 | -57.2 | -100.7 | 0 | 0 | 0 | 107.4 | W978 Q979 L980 R1025 L1048 S1049 D1051 | N971-W978 HydrophobicContact CB-CE3 3.89Å; N971-W978 HydrophobicContact CB-CZ3 4.46Å; N971-W978 WeakPolarHBondContact O-CZ3 3.42Å; N971-Q979 CarbonylContact C-O 3.57Å; N971-Q979 WeakPolarHBondContact CA-O 3.23Å; N971-L980 WeakPolarHBondContact OD1-CD1 3.44Å; N971-R1025 PolarHBondContact ND2-NH1 3.29Å; N971-R1025 PolarHBondContact ND2-NH2 3.22Å; N971-R1025 PolarHBondContact OD1-NH2 2.72Å; N971-R1025 VanDerWaalsContact OD1-NH2 3.1Å; N971-L1048 CarbonylContact O-C 3.57Å; N971-L1048 WeakPolarHBondContact O-CA 3.27Å; N971-S1049 WeakPolarHBondContact CB-O 3.37Å; N971-S1049 PolarHBondContact N-O 2.85Å; N971-S1049 PolarHBondContact ND2-O 3.41Å; N971-S1049 PolarHBondContact O-N 2.94Å; N971-D1051 PolarHBondContact ND2-OD1 2.99Å |
| 972 | V | 90.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.1 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | W978 Q979 Y981 F992 L1047 L1048 | V972-W978 WeakPolarHBondContact O-CA 3.48Å; V972-Q979 PolarHBondContact N-O 3.23Å; V972-Q979 PolarHBondContact O-N 3.38Å; V972-Y981 HydrophobicContact CB-CD2 3.82Å; V972-Y981 HydrophobicContact CB-CE2 3.94Å; V972-Y981 HydrophobicContact CG2-CD2 3.55Å; V972-Y981 HydrophobicContact CG2-CE2 4.12Å; V972-Y981 HydrophobicContact CG2-CG 4.35Å; V972-F992 HydrophobicContact CG2-CD1 3.65Å; V972-F992 HydrophobicContact CG2-CE1 3.39Å; V972-F992 HydrophobicContact CG2-CZ 4.41Å; V972-L1047 WeakPolarHBondContact CA-O 3.43Å; V972-L1048 HydrophobicContact CB-CD2 4.35Å; V972-L1048 HydrophobicContact CG1-CD2 4.14Å; V972-L1048 HydrophobicContact CG2-CD2 3.78Å |
| 973 | C | 87.9 | Confident | 83.7 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.3 | 168.6 | -162.4 | 0 | 0 | 0 | 0 | 109.4 | G976 W978 L1047 | C973-G976 VanDerWaalsContact SG-C 3.52Å; C973-G976 WeakPolarHBondContact SG-CA 3.22Å; C973-W978 HydrophobicContact CB-CD2 3.8Å; C973-W978 HydrophobicContact CB-CE3 3.75Å; C973-W978 HydrophobicContact CB-CH2 3.91Å; C973-W978 HydrophobicContact CB-CZ2 3.95Å; C973-W978 HydrophobicContact CB-CZ3 3.8Å; C973-L1047 HydrophobicContact CB-CB 3.69Å; C973-L1047 HydrophobicContact CB-CD1 4.2Å; C973-L1047 PolarHBondContact N-O 2.86Å |
| 974 | N | 81.3 | Confident | 85.3 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114.6 | 170.5 | -171.2 | 13.4 | 0 | 0 | 0 | 108.6 | G976 V977 | N974-G976 PolarHBondContact O-N 2.77Å; N974-V977 PolarHBondContact N-O 3.31Å; N974-V977 PolarHBondContact O-N 3.09Å |
| 975 | Q | 76.5 | Confident | 86.6 | Confident | 191 Ų | 191 | 49.7 Ų | 49.7 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 41.1 | -179.2 | -61.6 | 177.8 | -13.7 | 0 | 0 | 113.7 | V977 | Q975-V977 VanDerWaalsContact C-N 3.32Å; Q975-V977 PolarHBondContact O-N 2.83Å |
| 976 | G | 78.4 | Confident | 87 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C973 N974 | C973-G976 VanDerWaalsContact SG-C 3.52Å; C973-G976 WeakPolarHBondContact SG-CA 3.22Å; N974-G976 PolarHBondContact O-N 2.77Å |
| 977 | V | 86.3 | Confident | 86.4 | Confident | 84 Ų | 84 | 54 Ų | 54 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.6 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | N974 Q975 Q979 | N974-V977 PolarHBondContact N-O 3.31Å; N974-V977 PolarHBondContact O-N 3.09Å; Q975-V977 VanDerWaalsContact C-N 3.32Å; Q975-V977 PolarHBondContact O-N 2.83Å; V977-Q979 HydrophobicContact CG1-CG 4.12Å |
| 978 | W | 88.3 | Confident | 85.8 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.7 | 171.3 | -66.1 | 95.3 | 0 | 0 | 0 | 111 | N971 V972 C973 T1023 R1025 T1028 L1047 S1049 | N971-W978 HydrophobicContact CB-CE3 3.89Å; N971-W978 HydrophobicContact CB-CZ3 4.46Å; N971-W978 WeakPolarHBondContact O-CZ3 3.42Å; V972-W978 WeakPolarHBondContact O-CA 3.48Å; C973-W978 HydrophobicContact CB-CD2 3.8Å; C973-W978 HydrophobicContact CB-CE3 3.75Å; C973-W978 HydrophobicContact CB-CH2 3.91Å; C973-W978 HydrophobicContact CB-CZ2 3.95Å; C973-W978 HydrophobicContact CB-CZ3 3.8Å; W978-T1023 HydrophobicContact CZ2-CG2 4.27Å; W978-R1025 HydrophobicContact CZ2-CB 4.17Å; W978-T1028 HydrophobicContact CH2-CG2 3.8Å; W978-L1047 HydrophobicContact CH2-CB 3.96Å; W978-L1047 HydrophobicContact CZ3-CB 4.39Å; W978-S1049 VanDerWaalsContact CZ3-CB 3.5Å |
| 979 | Q | 90.2 | Very high | 85.5 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.3 | 173.7 | -60.8 | -173.8 | 26.1 | 0 | 0 | 110.1 | N971 V972 V977 Y981 | N971-Q979 CarbonylContact C-O 3.57Å; N971-Q979 WeakPolarHBondContact CA-O 3.23Å; V972-Q979 PolarHBondContact N-O 3.23Å; V972-Q979 PolarHBondContact O-N 3.38Å; V977-Q979 HydrophobicContact CG1-CG 4.12Å; Q979-Y981 HydrophobicContact CB-CD2 4.32Å; Q979-Y981 HydrophobicContact CB-CE2 3.69Å; Q979-Y981 VanDerWaalsContact O-CD2 3.31Å; Q979-Y981 WeakPolarHBondContact O-CD2 3.32Å |
| 980 | L | 91.6 | Very high | 85.3 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 42% | 0.424 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 127.6 | 177.3 | -166.7 | 74.1 | 0 | 0 | 0 | 109.9 | F969 N971 | F969-L980 HydrophobicContact CB-CD1 3.94Å; F969-L980 HydrophobicContact CB-CD2 4.48Å; F969-L980 HydrophobicContact CB-CG 4.24Å; F969-L980 HydrophobicContact CD1-CD2 4.13Å; F969-L980 HydrophobicContact CD1-CG 4.15Å; F969-L980 HydrophobicContact CG-CD2 4.44Å; N971-L980 WeakPolarHBondContact OD1-CD1 3.44Å |
| 981 | Y | 92 | Very high | 85.2 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 9% | 0.09 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148.4 | 174.4 | -68.5 | -91.9 | 0 | 0 | 0 | 110.2 | F969 L970 V972 Q979 F992 W993 L1004 | F969-Y981 VanDerWaalsContact CA-O 3.28Å; F969-Y981 WeakPolarHBondContact CA-O 3.43Å; L970-Y981 PolarHBondContact N-O 2.87Å; L970-Y981 PolarHBondContact O-N 2.81Å; V972-Y981 HydrophobicContact CB-CD2 3.82Å; V972-Y981 HydrophobicContact CB-CE2 3.94Å; V972-Y981 HydrophobicContact CG2-CD2 3.55Å; V972-Y981 HydrophobicContact CG2-CE2 4.12Å; V972-Y981 HydrophobicContact CG2-CG 4.35Å; Q979-Y981 HydrophobicContact CB-CD2 4.32Å; Q979-Y981 HydrophobicContact CB-CE2 3.69Å; Q979-Y981 VanDerWaalsContact O-CD2 3.31Å; Q979-Y981 WeakPolarHBondContact O-CD2 3.32Å; Y981-F992 HydrophobicContact CD1-CB 4.12Å; Y981-F992 HydrophobicContact CG-CB 4.34Å; Y981-F992 HydrophobicContact CG-CD1 4.28Å; Y981-W993 CarbonylContact C-O 3.5Å; Y981-W993 VanDerWaalsContact CA-O 3.3Å; Y981-W993 WeakPolarHBondContact CA-O 3.21Å; Y981-W993 WeakPolarHBondContact CB-O 3.34Å; Y981-W993 WeakPolarHBondContact CD1-O 3.19Å; Y981-L1004 HydrophobicContact CE1-CB 4.48Å; Y981-L1004 HydrophobicContact CE1-CD1 4.24Å |
| 982 | W | 90.8 | Very high | 85.1 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.4 | 159.3 | -179.6 | -104 | 0 | 0 | 0 | 108.8 | K967 F969 W993 P996 | K967-W982 HydrophobicContact CB-CH2 4.06Å; K967-W982 HydrophobicContact CB-CZ2 3.58Å; K967-W982 HydrophobicContact CD-CZ2 4.42Å; F969-W982 HydrophobicContact CD1-CB 4.23Å; F969-W982 AromaticContact CD1-CE3 4Å; F969-W982 HydrophobicContact CD1-CE3 4Å; F969-W982 AromaticContact CD2-CE3 3.8Å; F969-W982 HydrophobicContact CD2-CE3 3.8Å; F969-W982 AromaticContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CE1-CB 3.99Å; F969-W982 AromaticContact CE1-CE3 3.83Å; F969-W982 HydrophobicContact CE1-CE3 3.83Å; F969-W982 AromaticContact CE2-CE3 3.62Å; F969-W982 HydrophobicContact CE2-CE3 3.62Å; F969-W982 AromaticContact CE2-CZ3 3.72Å; F969-W982 HydrophobicContact CE2-CZ3 3.72Å; F969-W982 AromaticContact CG-CE3 3.98Å; F969-W982 HydrophobicContact CG-CE3 3.98Å; F969-W982 AromaticContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CZ3 4.16Å; W982-W993 PolarHBondContact N-O 2.94Å; W982-W993 PolarHBondContact O-N 2.88Å; W982-P996 HydrophobicContact CD2-CB 3.97Å; W982-P996 HydrophobicContact CD2-CG 3.74Å; W982-P996 HydrophobicContact CE3-CB 4.43Å; W982-P996 HydrophobicContact CE3-CG 3.8Å; W982-P996 HydrophobicContact CG-CB 4.24Å; W982-P996 HydrophobicContact CG-CG 4.11Å; W982-P996 HydrophobicContact CZ2-CB 4.18Å; W982-P996 HydrophobicContact CZ2-CG 4.48Å; W982-P996 HydrophobicContact CZ3-CG 4.19Å |
| 983 | C | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.3 | -173.9 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | K967 G968 L970 E991 F992 W1059 | K967-C983 WeakPolarHBondContact CA-O 3.28Å; G968-C983 PolarHBondContact N-O 2.67Å; G968-C983 PolarHBondContact O-N 2.9Å; L970-C983 HydrophobicContact CD1-CB 4.16Å; L970-C983 HydrophobicContact CG-CB 4.44Å; C983-E991 WeakPolarHBondContact CA-O 3.24Å; C983-F992 WeakPolarHBondContact SG-CD1 3.15Å; C983-F992 WeakPolarHBondContact SG-CE1 3.43Å; C983-W1059 HydrophobicContact CB-CH2 3.64Å; C983-W1059 HydrophobicContact CB-CZ2 3.91Å; C983-W1059 HydrophobicContact CB-CZ3 4.49Å |
| 984 | V | 88.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.9 | 169.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | P965 E966 K967 K986 E991 W993 V999 | P965-V984 HydrophobicContact CB-CG1 4.11Å; E966-V984 WeakPolarHBondContact O-CA 3.47Å; K967-V984 HydrophobicContact CB-CG2 4.49Å; K967-V984 HydrophobicContact CD-CG1 4.36Å; K967-V984 HydrophobicContact CD-CG2 3.96Å; K967-V984 HydrophobicContact CG-CG1 4.15Å; K967-V984 HydrophobicContact CG-CG2 3.99Å; V984-K986 HydrophobicContact CG1-CB 4.38Å; V984-E991 PolarHBondContact N-O 3.13Å; V984-E991 PolarHBondContact O-N 3.24Å; V984-W993 HydrophobicContact CB-CH2 4.42Å; V984-W993 HydrophobicContact CB-CZ3 3.84Å; V984-W993 HydrophobicContact CG2-CE3 4.37Å; V984-W993 HydrophobicContact CG2-CH2 4.34Å; V984-W993 HydrophobicContact CG2-CZ3 3.61Å; V984-V999 HydrophobicContact CG2-CG2 4.45Å |
| 985 | L | 85.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.4 | 167.2 | 175.8 | 59.1 | 0 | 0 | 0 | 109.2 | P965 E966 L990 L1009 W1059 N1062 I1063 V1066 | P965-L985 WeakPolarHBondContact CA-O 3.35Å; P965-L985 WeakPolarHBondContact CB-O 3.32Å; E966-L985 PolarHBondContact O-N 3.21Å; L985-L990 HydrophobicContact CB-CD2 3.91Å; L985-L990 HydrophobicContact CD1-CD2 4.02Å; L985-L990 HydrophobicContact CD1-CG 4.14Å; L985-L990 HydrophobicContact CG-CD2 4.46Å; L985-L1009 HydrophobicContact CD1-CD1 3.74Å; L985-W1059 HydrophobicContact CB-CZ3 3.97Å; L985-N1062 HydrophobicContact CD2-CB 4.06Å; L985-I1063 HydrophobicContact CD2-CG1 4.22Å; L985-V1066 HydrophobicContact CD2-CG2 4.15Å |
| 986 | K | 76.3 | Confident | 85.8 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 137.5 | 179.9 | 174.7 | 173 | 173.2 | -78.5 | 0 | 110 | V984 G988 I989 | V984-K986 HydrophobicContact CG1-CB 4.38Å; K986-G988 PolarHBondContact O-N 3.39Å; K986-I989 PolarHBondContact N-O 2.85Å; K986-I989 PolarHBondContact O-N 3.29Å; K986-I989 VanDerWaalsContact O-O 3.09Å |
| 987 | E | 68.3 | Low | 86.1 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 15.9 | 172.5 | -78.9 | 143.5 | -146.9 | 0 | 0 | 116.1 | V960 L961 | V960-E987 VanDerWaalsContact CG1-C 3.46Å; L961-E987 HydrophobicContact CD2-CG 3.41Å; L961-E987 VanDerWaalsContact CD2-CG 3.41Å |
| 988 | G | 74.5 | Confident | 86 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -5.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K986 L1009 | K986-G988 PolarHBondContact O-N 3.39Å; G988-L1009 WeakPolarHBondContact O-CB 3.2Å; G988-L1009 WeakPolarHBondContact O-CG 3.2Å; G988-L1009 PolarHBondContact O-N 3.21Å |
| 989 | I | 82.6 | Confident | 85.6 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 28% | 0.277 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.2 | -177.9 | -53.1 | 175.5 | 0 | 0 | 0 | 109.4 | K986 E991 T1006 D1008 | K986-I989 PolarHBondContact N-O 2.85Å; K986-I989 PolarHBondContact O-N 3.29Å; K986-I989 VanDerWaalsContact O-O 3.09Å; I989-E991 HydrophobicContact CG2-CG 3.94Å; I989-T1006 HydrophobicContact CG2-CG2 4.21Å; I989-D1008 HydrophobicContact CG1-CB 4.38Å |
| 990 | L | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.9 | 164.2 | -74.3 | 164.3 | 0 | 0 | 0 | 108.6 | L985 F992 T1006 I1007 L1009 L1031 L1048 W1059 I1063 | L985-L990 HydrophobicContact CB-CD2 3.91Å; L985-L990 HydrophobicContact CD1-CD2 4.02Å; L985-L990 HydrophobicContact CD1-CG 4.14Å; L985-L990 HydrophobicContact CG-CD2 4.46Å; L990-F992 HydrophobicContact CB-CE2 3.63Å; L990-F992 HydrophobicContact CB-CZ 3.95Å; L990-F992 WeakPolarHBondContact O-CD2 3.35Å; L990-F992 VanDerWaalsContact O-CE2 3.28Å; L990-F992 WeakPolarHBondContact O-CE2 3.33Å; L990-T1006 CarbonylContact O-C 3.53Å; L990-T1006 WeakPolarHBondContact O-CA 3.28Å; L990-I1007 HydrophobicContact CB-CB 4.26Å; L990-I1007 PolarHBondContact N-O 2.89Å; L990-I1007 PolarHBondContact O-N 3.42Å; L990-L1009 HydrophobicContact CD1-CD1 4.38Å; L990-L1009 HydrophobicContact CD1-CD2 3.98Å; L990-L1009 HydrophobicContact CD1-CG 4.37Å; L990-L1009 HydrophobicContact CG-CD1 4.37Å; L990-L1031 HydrophobicContact CD1-CD1 3.95Å; L990-L1048 HydrophobicContact CD1-CD1 4.14Å; L990-W1059 HydrophobicContact CD2-CE3 4.37Å; L990-W1059 HydrophobicContact CD2-CZ3 3.73Å; L990-I1063 HydrophobicContact CD1-CD1 4.13Å |
| 991 | E | 88.8 | Confident | 84.6 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.3 | 178.8 | -58 | -176.6 | 110.1 | 0 | 0 | 110.3 | C983 V984 I989 W993 P1003 T1006 | C983-E991 WeakPolarHBondContact CA-O 3.24Å; V984-E991 PolarHBondContact N-O 3.13Å; V984-E991 PolarHBondContact O-N 3.24Å; I989-E991 HydrophobicContact CG2-CG 3.94Å; E991-W993 HydrophobicContact CB-CE3 4.34Å; E991-W993 HydrophobicContact CB-CH2 3.29Å; E991-W993 HydrophobicContact CB-CZ2 4.15Å; E991-W993 HydrophobicContact CB-CZ3 3.39Å; E991-W993 HydrophobicContact CG-CH2 4.17Å; E991-W993 WeakPolarHBondContact O-CZ3 3.31Å; E991-P1003 HydrophobicContact CB-CB 4.16Å; E991-T1006 HydrophobicContact CG-CG2 4.39Å |
| 992 | F | 90.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.3 | -170.8 | -62.2 | -100 | 0 | 0 | 0 | 112.5 | V972 Y981 C983 L990 L1004 K1005 I1007 L1048 | V972-F992 HydrophobicContact CG2-CD1 3.65Å; V972-F992 HydrophobicContact CG2-CE1 3.39Å; V972-F992 HydrophobicContact CG2-CZ 4.41Å; Y981-F992 HydrophobicContact CD1-CB 4.12Å; Y981-F992 HydrophobicContact CG-CB 4.34Å; Y981-F992 HydrophobicContact CG-CD1 4.28Å; C983-F992 WeakPolarHBondContact SG-CD1 3.15Å; C983-F992 WeakPolarHBondContact SG-CE1 3.43Å; L990-F992 HydrophobicContact CB-CE2 3.63Å; L990-F992 HydrophobicContact CB-CZ 3.95Å; L990-F992 WeakPolarHBondContact O-CD2 3.35Å; L990-F992 VanDerWaalsContact O-CE2 3.28Å; L990-F992 WeakPolarHBondContact O-CE2 3.33Å; F992-L1004 WeakPolarHBondContact O-CB 3.28Å; F992-L1004 PolarHBondContact O-N 3.18Å; F992-K1005 HydrophobicContact CB-CB 4.12Å; F992-K1005 HydrophobicContact CD2-CB 4.19Å; F992-K1005 HydrophobicContact CD2-CG 4.26Å; F992-K1005 WeakPolarHBondContact CD2-O 3.45Å; F992-K1005 HydrophobicContact CG-CB 4.37Å; F992-K1005 PolarHBondContact N-O 2.55Å; F992-I1007 HydrophobicContact CE2-CB 4.24Å; F992-I1007 HydrophobicContact CE2-CD1 3.69Å; F992-I1007 HydrophobicContact CE2-CG1 3.79Å; F992-I1007 HydrophobicContact CZ-CD1 3.75Å; F992-I1007 HydrophobicContact CZ-CG1 4.36Å; F992-L1048 HydrophobicContact CE1-CD2 4.04Å; F992-L1048 HydrophobicContact CZ-CD2 4.06Å |
| 993 | W | 91.3 | Very high | 83.9 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 166.8 | 173.1 | -61.5 | -96.1 | 0 | 0 | 0 | 111.1 | Y981 W982 V984 E991 D998 V999 K1001 P1003 | Y981-W993 CarbonylContact C-O 3.5Å; Y981-W993 VanDerWaalsContact CA-O 3.3Å; Y981-W993 WeakPolarHBondContact CA-O 3.21Å; Y981-W993 WeakPolarHBondContact CB-O 3.34Å; Y981-W993 WeakPolarHBondContact CD1-O 3.19Å; W982-W993 PolarHBondContact N-O 2.94Å; W982-W993 PolarHBondContact O-N 2.88Å; V984-W993 HydrophobicContact CB-CH2 4.42Å; V984-W993 HydrophobicContact CB-CZ3 3.84Å; V984-W993 HydrophobicContact CG2-CE3 4.37Å; V984-W993 HydrophobicContact CG2-CH2 4.34Å; V984-W993 HydrophobicContact CG2-CZ3 3.61Å; E991-W993 HydrophobicContact CB-CE3 4.34Å; E991-W993 HydrophobicContact CB-CH2 3.29Å; E991-W993 HydrophobicContact CB-CZ2 4.15Å; E991-W993 HydrophobicContact CB-CZ3 3.39Å; E991-W993 HydrophobicContact CG-CH2 4.17Å; E991-W993 WeakPolarHBondContact O-CZ3 3.31Å; W993-D998 HydrophobicContact CB-CB 4.04Å; W993-D998 VanDerWaalsContact CD1-O 3.23Å; W993-D998 HydrophobicContact CG-CB 4.18Å; W993-D998 PolarHBondContact NE1-O 3.13Å; W993-V999 HydrophobicContact CD2-CG2 3.97Å; W993-V999 HydrophobicContact CE3-CG2 3.88Å; W993-V999 HydrophobicContact CH2-CG1 4.13Å; W993-V999 HydrophobicContact CH2-CG2 4.38Å; W993-V999 HydrophobicContact CZ2-CB 4.42Å; W993-V999 HydrophobicContact CZ2-CG1 4.22Å; W993-V999 HydrophobicContact CZ2-CG2 4.48Å; W993-V999 HydrophobicContact CZ3-CG2 4.1Å; W993-K1001 PolarHBondContact NE1-O 2.85Å; W993-P1003 HydrophobicContact CD2-CB 4.43Å; W993-P1003 HydrophobicContact CZ2-CB 3.97Å |
| 994 | R | 86.5 | Confident | 83.7 | Confident | 144 Ų | 144 | 65.3 Ų | 65.3 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -76.6 | -32.5 | 173.4 | -83.4 | 166.4 | -176 | 149.1 | 3.1 | 113 | L1004 | R994-L1004 HydrophobicContact CB-CD1 4.18Å; R994-L1004 HydrophobicContact CG-CD1 3.6Å |
| 995 | F | 87.6 | Confident | 83.5 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -139.6 | 149.5 | -173.2 | -55 | -70.8 | 0 | 0 | 0 | 111.2 | E997 D998 | F995-E997 WeakPolarHBondContact CB-OE2 3.42Å; F995-E997 PolarHBondContact O-N 3.45Å; F995-D998 WeakPolarHBondContact O-CB 3.33Å; F995-D998 PolarHBondContact O-N 3.09Å; F995-D998 VanDerWaalsContact O-N 3.08Å |
| 996 | P | 85.9 | Confident | 83.6 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 31% | 0.312 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.3 | 178.9 | -23.3 | 33.1 | 0 | 0 | 0 | 114.5 | F969 W982 D998 V999 | F969-P996 HydrophobicContact CE1-CG 4.45Å; F969-P996 HydrophobicContact CZ-CG 3.8Å; W982-P996 HydrophobicContact CD2-CB 3.97Å; W982-P996 HydrophobicContact CD2-CG 3.74Å; W982-P996 HydrophobicContact CE3-CB 4.43Å; W982-P996 HydrophobicContact CE3-CG 3.8Å; W982-P996 HydrophobicContact CG-CB 4.24Å; W982-P996 HydrophobicContact CG-CG 4.11Å; W982-P996 HydrophobicContact CZ2-CB 4.18Å; W982-P996 HydrophobicContact CZ2-CG 4.48Å; W982-P996 HydrophobicContact CZ3-CG 4.19Å; P996-D998 VanDerWaalsContact C-N 3.28Å; P996-D998 PolarHBondContact O-N 3.23Å; P996-V999 WeakPolarHBondContact O-CG2 3.38Å |
| 997 | E | 84.8 | Confident | 84 | Confident | 145 Ų | 145 | 66.9 Ų | 66.9 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -72.9 | -20.1 | 179 | -59 | 77.8 | -172.5 | 0 | 0 | 112.9 | F995 V999 | F995-E997 WeakPolarHBondContact CB-OE2 3.42Å; F995-E997 PolarHBondContact O-N 3.45Å; E997-V999 VanDerWaalsContact C-N 3.27Å; E997-V999 PolarHBondContact O-N 3.31Å |
| 998 | D | 84.3 | Confident | 84.7 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -79.2 | -5.9 | -177.5 | -75.6 | -23 | 0 | 0 | 0 | 113.4 | W993 F995 P996 S1000 K1001 | W993-D998 HydrophobicContact CB-CB 4.04Å; W993-D998 VanDerWaalsContact CD1-O 3.23Å; W993-D998 HydrophobicContact CG-CB 4.18Å; W993-D998 PolarHBondContact NE1-O 3.13Å; F995-D998 WeakPolarHBondContact O-CB 3.33Å; F995-D998 PolarHBondContact O-N 3.09Å; F995-D998 VanDerWaalsContact O-N 3.08Å; P996-D998 VanDerWaalsContact C-N 3.28Å; P996-D998 PolarHBondContact O-N 3.23Å; D998-S1000 PolarHBondContact O-N 3.43Å; D998-K1001 HydrophobicContact CB-CD 4.27Å; D998-K1001 WeakPolarHBondContact O-CA 3.26Å; D998-K1001 VanDerWaalsContact O-CB 3.28Å; D998-K1001 WeakPolarHBondContact O-CB 3.39Å; D998-K1001 PolarHBondContact O-N 2.82Å; D998-K1001 WeakPolarHBondContact OD1-CE 3.2Å; D998-K1001 IonicContact OD1-NZ 2.65Å; D998-K1001 PolarHBondContact OD1-NZ 2.71Å |
| 999 | V | 78.5 | Confident | 85.1 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -60.8 | -9.1 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 113.8 | V984 W993 P996 E997 K1001 | V984-V999 HydrophobicContact CG2-CG2 4.45Å; W993-V999 HydrophobicContact CD2-CG2 3.97Å; W993-V999 HydrophobicContact CE3-CG2 3.88Å; W993-V999 HydrophobicContact CH2-CG1 4.13Å; W993-V999 HydrophobicContact CH2-CG2 4.38Å; W993-V999 HydrophobicContact CZ2-CB 4.42Å; W993-V999 HydrophobicContact CZ2-CG1 4.22Å; W993-V999 HydrophobicContact CZ2-CG2 4.48Å; W993-V999 HydrophobicContact CZ3-CG2 4.1Å; P996-V999 WeakPolarHBondContact O-CG2 3.38Å; E997-V999 VanDerWaalsContact C-N 3.27Å; E997-V999 PolarHBondContact O-N 3.31Å; V999-K1001 VanDerWaalsContact C-N 3.33Å |
| 1000 | S | 77.1 | Confident | 84.7 | Confident | 122 Ų | 122 | 65.9 Ų | 65.9 | 85% | 0.853 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -90.1 | 8.2 | 170 | -53.9 | 0 | 0 | 0 | 0 | 114 | D998 | D998-S1000 PolarHBondContact O-N 3.43Š|
| 1001 | K | 84.6 | Confident | 84.3 | Confident | 127 Ų | 127 | 69 Ų | 69 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -124.1 | 164.7 | 178.7 | -53.2 | 170.9 | -178.2 | 168.7 | 0 | 109.2 | W993 D998 V999 | W993-K1001 PolarHBondContact NE1-O 2.85Å; D998-K1001 HydrophobicContact CB-CD 4.27Å; D998-K1001 WeakPolarHBondContact O-CA 3.26Å; D998-K1001 VanDerWaalsContact O-CB 3.28Å; D998-K1001 WeakPolarHBondContact O-CB 3.39Å; D998-K1001 PolarHBondContact O-N 2.82Å; D998-K1001 WeakPolarHBondContact OD1-CE 3.2Å; D998-K1001 IonicContact OD1-NZ 2.65Å; D998-K1001 PolarHBondContact OD1-NZ 2.71Å; V999-K1001 VanDerWaalsContact C-N 3.33Å |
| 1002 | D | 82.8 | Confident | 83.9 | Confident | 145 Ų | 145 | 67.2 Ų | 67.2 | 78% | 0.775 | 34% | 0.343 | S | S | * | . | trans | -56.3 | 136.4 | 175.2 | -42.5 | -62.4 | 0 | 0 | 0 | 110.9 | ||||
| 1003 | P | 85.2 | Confident | 83.3 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | trans | -67.2 | 146.5 | -179.6 | 27.3 | -34.3 | 0 | 0 | 0 | 111.8 | E991 W993 K1005 T1006 | E991-P1003 HydrophobicContact CB-CB 4.16Å; W993-P1003 HydrophobicContact CD2-CB 4.43Å; W993-P1003 HydrophobicContact CZ2-CB 3.97Å; P1003-K1005 PolarHBondContact O-N 2.89Å; P1003-T1006 HydrophobicContact CB-CG2 4.26Å; P1003-T1006 HydrophobicContact CG-CG2 3.62Å | ||
| 1004 | L | 86.7 | Confident | 82.9 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 47% | 0.466 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -74.6 | -17.1 | 179.7 | -61.6 | 176.1 | 0 | 0 | 0 | 113.3 | Y981 F992 R994 | Y981-L1004 HydrophobicContact CE1-CB 4.48Å; Y981-L1004 HydrophobicContact CE1-CD1 4.24Å; F992-L1004 WeakPolarHBondContact O-CB 3.28Å; F992-L1004 PolarHBondContact O-N 3.18Å; R994-L1004 HydrophobicContact CB-CD1 4.18Å; R994-L1004 HydrophobicContact CG-CD1 3.6Å |
| 1005 | K | 84.9 | Confident | 82.9 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 147.9 | 174.7 | -179.5 | 177.1 | -179.1 | -178.3 | 0 | 107.7 | F992 P1003 | F992-K1005 HydrophobicContact CB-CB 4.12Å; F992-K1005 HydrophobicContact CD2-CB 4.19Å; F992-K1005 HydrophobicContact CD2-CG 4.26Å; F992-K1005 WeakPolarHBondContact CD2-O 3.45Å; F992-K1005 HydrophobicContact CG-CB 4.37Å; F992-K1005 PolarHBondContact N-O 2.55Å; P1003-K1005 PolarHBondContact O-N 2.89Å |
| 1006 | T | 86.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150.6 | 165.2 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | I989 L990 E991 P1003 | I989-T1006 HydrophobicContact CG2-CG2 4.21Å; L990-T1006 CarbonylContact O-C 3.53Å; L990-T1006 WeakPolarHBondContact O-CA 3.28Å; E991-T1006 HydrophobicContact CG-CG2 4.39Å; P1003-T1006 HydrophobicContact CB-CG2 4.26Å; P1003-T1006 HydrophobicContact CG-CG2 3.62Å |
| 1007 | I | 85.1 | Confident | 82.9 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 110.2 | 166.6 | -59.4 | 172.7 | 0 | 0 | 0 | 106 | L990 F992 M1033 Q1046 | L990-I1007 HydrophobicContact CB-CB 4.26Å; L990-I1007 PolarHBondContact N-O 2.89Å; L990-I1007 PolarHBondContact O-N 3.42Å; F992-I1007 HydrophobicContact CE2-CB 4.24Å; F992-I1007 HydrophobicContact CE2-CD1 3.69Å; F992-I1007 HydrophobicContact CE2-CG1 3.79Å; F992-I1007 HydrophobicContact CZ-CD1 3.75Å; F992-I1007 HydrophobicContact CZ-CG1 4.36Å; I1007-M1033 HydrophobicContact CG2-CE 3.69Å; I1007-M1033 HydrophobicContact CG2-SD 3.91Å; I1007-Q1046 HydrophobicContact CD1-CB 4.05Å; I1007-Q1046 HydrophobicContact CD1-CG 3.91Å |
| 1008 | D | 82.4 | Confident | 82.9 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.3 | 175.2 | -178.7 | 3.9 | 0 | 0 | 0 | 110 | I989 H1010 F1011 M1033 | I989-D1008 HydrophobicContact CG1-CB 4.38Å; D1008-H1010 PolarHBondContact O-N 3.4Å; D1008-H1010 IonicContact OD1-CE1 2.97Å; D1008-H1010 IonicContact OD1-CG 2.73Å; D1008-H1010 PolarHBondContact OD1-N 2.94Å; D1008-H1010 IonicContact OD1-ND1 3.68Å; D1008-H1010 PolarHBondContact OD1-ND1 2.84Å; D1008-H1010 IonicContact OD2-ND1 2.69Å; D1008-F1011 HydrophobicContact CB-CD2 4.03Å; D1008-F1011 HydrophobicContact CB-CE2 4.3Å; D1008-F1011 PolarHBondContact O-N 2.86Å; D1008-M1033 WeakPolarHBondContact O-CE 3.35Å |
| 1009 | L | 83.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -71.9 | -7.4 | -177.6 | -62.6 | 169.6 | 0 | 0 | 0 | 113.2 | L985 G988 L990 F1011 C1012 L1031 I1063 V1066 L1067 | L985-L1009 HydrophobicContact CD1-CD1 3.74Å; G988-L1009 WeakPolarHBondContact O-CB 3.2Å; G988-L1009 WeakPolarHBondContact O-CG 3.2Å; G988-L1009 PolarHBondContact O-N 3.21Å; L990-L1009 HydrophobicContact CD1-CD1 4.38Å; L990-L1009 HydrophobicContact CD1-CD2 3.98Å; L990-L1009 HydrophobicContact CD1-CG 4.37Å; L990-L1009 HydrophobicContact CG-CD1 4.37Å; L1009-F1011 PolarHBondContact O-N 3.47Å; L1009-C1012 HydrophobicContact CB-CB 4.46Å; L1009-C1012 HydrophobicContact CD2-CB 4.12Å; L1009-C1012 WeakPolarHBondContact O-CB 3.38Å; L1009-C1012 PolarHBondContact O-N 2.92Å; L1009-C1012 VanDerWaalsContact O-N 3.07Å; L1009-L1031 HydrophobicContact CD2-CD1 4.02Å; L1009-I1063 HydrophobicContact CD1-CG1 4.47Å; L1009-I1063 HydrophobicContact CD1-CG2 4.16Å; L1009-I1063 HydrophobicContact CD2-CG2 4.16Å; L1009-V1066 HydrophobicContact CB-CG1 4.34Å; L1009-V1066 HydrophobicContact CD1-CB 4.33Å; L1009-V1066 HydrophobicContact CD1-CG1 3.76Å; L1009-L1067 HydrophobicContact CB-CD2 4.02Å; L1009-L1067 HydrophobicContact CD2-CD2 4.38Å |
| 1010 | H | 75.2 | Confident | 82.4 | Confident | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -60.9 | -26.9 | 168.3 | -66.8 | 86 | 0 | 0 | 0 | 112.9 | D1008 T1070 | D1008-H1010 PolarHBondContact O-N 3.4Å; D1008-H1010 IonicContact OD1-CE1 2.97Å; D1008-H1010 IonicContact OD1-CG 2.73Å; D1008-H1010 PolarHBondContact OD1-N 2.94Å; D1008-H1010 IonicContact OD1-ND1 3.68Å; D1008-H1010 PolarHBondContact OD1-ND1 2.84Å; D1008-H1010 IonicContact OD2-ND1 2.69Å; H1010-T1070 HydrophobicContact CB-CG2 4.31Å; H1010-T1070 WeakPolarHBondContact CD2-CG2 3.44Å |
| 1011 | F | 78.2 | Confident | 82.2 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -93.1 | 7.4 | 175.5 | -58.1 | -84.4 | 0 | 0 | 0 | 113.1 | D1008 L1009 M1033 S1034 L1077 | D1008-F1011 HydrophobicContact CB-CD2 4.03Å; D1008-F1011 HydrophobicContact CB-CE2 4.3Å; D1008-F1011 PolarHBondContact O-N 2.86Å; L1009-F1011 PolarHBondContact O-N 3.47Å; F1011-M1033 HydrophobicContact CB-CE 3.93Å; F1011-M1033 CarbonylContact O-C 3.58Å; F1011-M1033 VanDerWaalsContact O-CA 3.26Å; F1011-M1033 WeakPolarHBondContact O-CA 3.42Å; F1011-S1034 PolarHBondContact O-N 2.71Å; F1011-S1034 PolarHBondContact O-OG 3.33Å; F1011-L1077 HydrophobicContact CZ-CD1 4.48Å |
| 1012 | C | 80.6 | Confident | 81.9 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.054 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107.3 | -177 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | L1009 T1014 E1032 M1033 L1067 | L1009-C1012 HydrophobicContact CB-CB 4.46Å; L1009-C1012 HydrophobicContact CD2-CB 4.12Å; L1009-C1012 WeakPolarHBondContact O-CB 3.38Å; L1009-C1012 PolarHBondContact O-N 2.92Å; L1009-C1012 VanDerWaalsContact O-N 3.07Å; C1012-T1014 PolarHBondContact SG-O 2.94Å; C1012-E1032 CarbonylContact C-O 3.59Å; C1012-E1032 WeakPolarHBondContact CA-O 3.42Å; C1012-M1033 HydrophobicContact CB-CE 3.75Å; C1012-M1033 HydrophobicContact CB-SD 3.62Å; C1012-L1067 HydrophobicContact CB-CD2 3.59Å |
| 1013 | T | 77.3 | Confident | 81.9 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -49.8 | -178.8 | -41.5 | 0 | 0 | 0 | 0 | 111.1 | E1032 K1071 | T1013-E1032 PolarHBondContact N-O 3.04Å; T1013-K1071 WeakPolarHBondContact O-CE 3.48Å; T1013-K1071 PolarHBondContact O-NZ 2.91Å |
| 1014 | T | 82.7 | Confident | 81.8 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151 | 177.5 | 96.2 | 0 | 0 | 0 | 0 | 112.2 | C1012 K1016 E1032 | C1012-T1014 PolarHBondContact SG-O 2.94Å; T1014-K1016 WeakPolarHBondContact OG1-CE 3.18Å; T1014-K1016 PolarHBondContact OG1-NZ 3.07Å; T1014-E1032 PolarHBondContact O-N 3.44Å; T1014-E1032 PolarHBondContact OG1-OE2 3.22Å |
| 1015 | M | 86.2 | Confident | 81.7 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 17% | 0.172 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.1 | 163.2 | 177.6 | -173 | 63.9 | 0 | 0 | 108.4 | M1029 V1030 L1031 R1060 I1063 D1064 L1067 | M1015-M1029 HydrophobicContact CG-CB 4.43Å; M1015-M1029 HydrophobicContact SD-SD 4.2Å; M1015-V1030 WeakPolarHBondContact CA-O 3.38Å; M1015-L1031 HydrophobicContact CB-CD2 3.77Å; M1015-L1031 HydrophobicContact CG-CD2 3.68Å; M1015-L1031 HydrophobicContact SD-CD2 4.22Å; M1015-R1060 HydrophobicContact CE-CB 4.42Å; M1015-R1060 HydrophobicContact CE-CG 3.63Å; M1015-R1060 WeakPolarHBondContact CE-O 3.34Å; M1015-R1060 HydrophobicContact SD-CG 4.31Å; M1015-I1063 HydrophobicContact SD-CB 4.01Å; M1015-I1063 HydrophobicContact SD-CG2 3.74Å; M1015-D1064 HydrophobicContact CE-CB 3.7Å; M1015-L1067 HydrophobicContact CB-CD1 3.73Å |
| 1016 | K | 87.4 | Confident | 81.8 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 40% | 0.404 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.5 | 178.8 | -70.5 | 158.7 | 178.5 | 155.5 | 0 | 110.6 | T1014 M1029 V1030 E1032 | T1014-K1016 WeakPolarHBondContact OG1-CE 3.18Å; T1014-K1016 PolarHBondContact OG1-NZ 3.07Å; K1016-M1029 CarbonylContact O-C 3.6Å; K1016-M1029 WeakPolarHBondContact O-CA 3.43Å; K1016-V1030 PolarHBondContact N-O 2.91Å; K1016-V1030 PolarHBondContact O-N 2.65Å; K1016-E1032 IonicContact NZ-OE1 2.72Å; K1016-E1032 PolarHBondContact NZ-OE1 3.31Å; K1016-E1032 IonicContact NZ-OE2 2.65Å; K1016-E1032 PolarHBondContact NZ-OE2 2.73Å |
| 1017 | P | 86.5 | Confident | 81.9 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 146.2 | 159 | 29.3 | -34.3 | 0 | 0 | 0 | 109.2 | N1019 | P1017-N1019 PolarHBondContact O-N 3.27Å |
| 1018 | A | 84.6 | Confident | 82.1 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 20% | 0.198 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 121.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | T1023 T1028 V1030 L1047 | A1018-T1023 HydrophobicContact CB-CG2 4.01Å; A1018-T1028 HydrophobicContact CB-CG2 3.72Å; A1018-T1028 PolarHBondContact N-O 2.86Å; A1018-V1030 HydrophobicContact CB-CG2 3.83Å; A1018-L1047 HydrophobicContact CB-CD2 4.45Å |
| 1019 | N | 79.6 | Confident | 82.6 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 155.7 | 169 | -65.5 | -4.1 | 0 | 0 | 0 | 110.3 | P1017 E1021 I1022 T1023 | P1017-N1019 PolarHBondContact O-N 3.27Å; N1019-E1021 PolarHBondContact O-N 2.7Å; N1019-E1021 VanDerWaalsContact O-N 3.1Å; N1019-I1022 PolarHBondContact O-N 3.03Å; N1019-T1023 PolarHBondContact O-N 3.25Å |
| 1020 | E | 73.3 | Confident | 82.9 | Confident | 180 Ų | 180 | 65.4 Ų | 65.4 | 84% | 0.841 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.2 | 178 | -60.6 | -170.9 | 161.7 | 0 | 0 | 113 | I1022 | E1020-I1022 VanDerWaalsContact C-N 3.26Å; E1020-I1022 PolarHBondContact O-N 2.62Å |
| 1021 | E | 73.4 | Confident | 83.6 | Confident | 182 Ų | 182 | 61.7 Ų | 61.7 | 85% | 0.85 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.4 | 173.7 | -58.3 | 179.2 | 149 | 0 | 0 | 113.7 | N1019 | N1019-E1021 PolarHBondContact O-N 2.7Å; N1019-E1021 VanDerWaalsContact O-N 3.1Å |
| 1022 | I | 78 | Confident | 83.9 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -43 | -178.5 | -54.4 | 176.7 | 0 | 0 | 0 | 110 | N1019 E1020 V1030 L1047 | N1019-I1022 PolarHBondContact O-N 3.03Å; E1020-I1022 VanDerWaalsContact C-N 3.26Å; E1020-I1022 PolarHBondContact O-N 2.62Å; I1022-V1030 HydrophobicContact CD1-CG2 4.11Å; I1022-V1030 HydrophobicContact CG2-CG2 4.42Å; I1022-L1047 HydrophobicContact CG2-CD1 4.42Å; I1022-L1047 HydrophobicContact CG2-CD2 4.03Å |
| 1023 | T | 82.4 | Confident | 84.1 | Confident | 25 Ų | 25 | 60 Ų | 60 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | trans | -159.2 | 147.8 | 170.5 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | W978 A1018 N1019 R1025 T1028 | W978-T1023 HydrophobicContact CZ2-CG2 4.27Å; A1018-T1023 HydrophobicContact CB-CG2 4.01Å; N1019-T1023 PolarHBondContact O-N 3.25Å; T1023-R1025 VanDerWaalsContact C-N 3.32Å; T1023-R1025 HydrophobicContact CG2-CB 4.24Å; T1023-R1025 PolarHBondContact OG1-N 3.36Å; T1023-T1028 HydrophobicContact CG2-CG2 3.86Å | ||
| 1024 | S | 83.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 58.4 Ų | 58.4 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -85.6 | 3.2 | 170.2 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1025 | R | 84.5 | Confident | 83 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | trans | -78.7 | 121 | 175.9 | -161.8 | 178.8 | -159.6 | -82.7 | 3.8 | 109.8 | N971 W978 T1023 T1028 S1049 D1051 | N971-R1025 PolarHBondContact ND2-NH1 3.29Å; N971-R1025 PolarHBondContact ND2-NH2 3.22Å; N971-R1025 PolarHBondContact OD1-NH2 2.72Å; N971-R1025 VanDerWaalsContact OD1-NH2 3.1Å; W978-R1025 HydrophobicContact CZ2-CB 4.17Å; T1023-R1025 VanDerWaalsContact C-N 3.32Å; T1023-R1025 HydrophobicContact CG2-CB 4.24Å; T1023-R1025 PolarHBondContact OG1-N 3.36Å; R1025-T1028 WeakPolarHBondContact O-CB 3.34Å; R1025-T1028 PolarHBondContact O-OG1 2.99Å; R1025-S1049 WeakPolarHBondContact CD-OG 3.44Å; R1025-S1049 PolarHBondContact NH1-OG 2.92Å; R1025-D1051 IonicContact NH1-OD1 3.9Å; R1025-D1051 IonicContact NH2-OD1 3.62Å | ||
| 1026 | P | 86.6 | Confident | 81.3 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -63.8 | 169.9 | 177.9 | 29 | -36.5 | 0 | 0 | 0 | 111.5 | T1028 S1049 | P1026-T1028 PolarHBondContact O-N 3.28Å; P1026-T1028 PolarHBondContact O-OG1 3.15Å; P1026-S1049 PolarHBondContact O-OG 2.91Å |
| 1027 | N | 88.4 | Confident | 79.5 | Confident | 43 Ų | 43 | 63 Ų | 63 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 56.5 | 33 | 174.5 | -57.5 | -24.1 | 0 | 0 | 0 | 113.6 | S1049 A1050 S1052 E1053 Y1056 | N1027-S1049 WeakPolarHBondContact O-CA 3.39Å; N1027-A1050 VanDerWaalsContact CB-O 3.26Å; N1027-A1050 WeakPolarHBondContact CB-O 3.18Å; N1027-A1050 PolarHBondContact O-N 2.89Å; N1027-S1052 VanDerWaalsContact ND2-C 3.33Å; N1027-E1053 PolarHBondContact ND2-N 2.83Å; N1027-Y1056 HydrophobicContact CB-CD2 4.47Å; N1027-Y1056 HydrophobicContact CB-CG 4.31Å; N1027-Y1056 WeakPolarHBondContact O-CD2 3.47Å |
| 1028 | T | 90.9 | Very high | 77.3 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.3 | -175.5 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | W978 A1018 T1023 R1025 P1026 L1047 L1048 S1049 | W978-T1028 HydrophobicContact CH2-CG2 3.8Å; A1018-T1028 HydrophobicContact CB-CG2 3.72Å; A1018-T1028 PolarHBondContact N-O 2.86Å; T1023-T1028 HydrophobicContact CG2-CG2 3.86Å; R1025-T1028 WeakPolarHBondContact O-CB 3.34Å; R1025-T1028 PolarHBondContact O-OG1 2.99Å; P1026-T1028 PolarHBondContact O-N 3.28Å; P1026-T1028 PolarHBondContact O-OG1 3.15Å; T1028-L1047 HydrophobicContact CG2-CD2 3.72Å; T1028-L1048 CarbonylContact C-O 3.56Å; T1028-L1048 WeakPolarHBondContact CA-O 3.17Å; T1028-L1048 WeakPolarHBondContact CG2-O 3.35Å; T1028-S1049 VanDerWaalsContact OG1-CB 3.23Å; T1028-S1049 WeakPolarHBondContact OG1-CB 3.27Å; T1028-S1049 PolarHBondContact OG1-OG 3.27Å |
| 1029 | M | 91.5 | Very high | 75.5 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 149 | 167.9 | 63.4 | -162.8 | 76.5 | 0 | 0 | 110.7 | M1015 K1016 L1048 Y1056 W1059 I1063 | M1015-M1029 HydrophobicContact CG-CB 4.43Å; M1015-M1029 HydrophobicContact SD-SD 4.2Å; K1016-M1029 CarbonylContact O-C 3.6Å; K1016-M1029 WeakPolarHBondContact O-CA 3.43Å; M1029-L1048 HydrophobicContact CG-CB 3.83Å; M1029-L1048 PolarHBondContact N-O 3.18Å; M1029-L1048 PolarHBondContact O-N 3.41Å; M1029-L1048 HydrophobicContact SD-CB 4.37Å; M1029-L1048 HydrophobicContact SD-CD1 4.44Å; M1029-Y1056 HydrophobicContact CB-CE2 4.01Å; M1029-Y1056 HydrophobicContact CE-CD2 3.64Å; M1029-Y1056 HydrophobicContact CE-CE2 3.89Å; M1029-W1059 HydrophobicContact CE-CB 3.79Å; M1029-I1063 HydrophobicContact SD-CD1 3.83Å |
| 1030 | V | 90.7 | Very high | 74 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.012 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.8 | 170.3 | -167.7 | 0 | 0 | 0 | 0 | 107.6 | M1015 K1016 A1018 I1022 E1032 R1045 L1047 | M1015-V1030 WeakPolarHBondContact CA-O 3.38Å; K1016-V1030 PolarHBondContact N-O 2.91Å; K1016-V1030 PolarHBondContact O-N 2.65Å; A1018-V1030 HydrophobicContact CB-CG2 3.83Å; I1022-V1030 HydrophobicContact CD1-CG2 4.11Å; I1022-V1030 HydrophobicContact CG2-CG2 4.42Å; V1030-E1032 HydrophobicContact CG1-CG 4.47Å; V1030-R1045 HydrophobicContact CG1-CB 4.17Å; V1030-R1045 HydrophobicContact CG1-CG 4.45Å; V1030-L1047 HydrophobicContact CG2-CD2 3.88Å |
| 1031 | L | 88.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.2 | 163.4 | -56 | 175.2 | 0 | 0 | 0 | 107.8 | L990 L1009 M1015 M1033 R1045 Q1046 L1048 I1063 | L990-L1031 HydrophobicContact CD1-CD1 3.95Å; L1009-L1031 HydrophobicContact CD2-CD1 4.02Å; M1015-L1031 HydrophobicContact CB-CD2 3.77Å; M1015-L1031 HydrophobicContact CG-CD2 3.68Å; M1015-L1031 HydrophobicContact SD-CD2 4.22Å; L1031-M1033 HydrophobicContact CB-SD 3.93Å; L1031-R1045 WeakPolarHBondContact O-CA 3.3Å; L1031-Q1046 HydrophobicContact CB-CB 4.29Å; L1031-Q1046 PolarHBondContact N-O 3.19Å; L1031-Q1046 PolarHBondContact O-N 2.78Å; L1031-L1048 HydrophobicContact CD1-CD1 3.66Å; L1031-L1048 HydrophobicContact CD1-CG 4.5Å; L1031-L1048 HydrophobicContact CG-CD1 4.34Å; L1031-I1063 HydrophobicContact CD2-CG2 3.98Å |
| 1032 | E | 86.1 | Confident | 71.7 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.1 | 171.7 | -70.8 | 167.2 | 174.4 | 0 | 0 | 108.1 | C1012 T1013 T1014 K1016 V1030 R1045 | C1012-E1032 CarbonylContact C-O 3.59Å; C1012-E1032 WeakPolarHBondContact CA-O 3.42Å; T1013-E1032 PolarHBondContact N-O 3.04Å; T1014-E1032 PolarHBondContact O-N 3.44Å; T1014-E1032 PolarHBondContact OG1-OE2 3.22Å; K1016-E1032 IonicContact NZ-OE1 2.72Å; K1016-E1032 PolarHBondContact NZ-OE1 3.31Å; K1016-E1032 IonicContact NZ-OE2 2.65Å; K1016-E1032 PolarHBondContact NZ-OE2 2.73Å; V1030-E1032 HydrophobicContact CG1-CG 4.47Å; E1032-R1045 HydrophobicContact CG-CG 4.42Å |
| 1033 | M | 82.9 | Confident | 71 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 6% | 0.059 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.1 | -177 | -48.6 | -59.5 | -57.4 | 0 | 0 | 110.4 | I1007 D1008 F1011 C1012 L1031 I1035 D1043 V1044 Q1046 | I1007-M1033 HydrophobicContact CG2-CE 3.69Å; I1007-M1033 HydrophobicContact CG2-SD 3.91Å; D1008-M1033 WeakPolarHBondContact O-CE 3.35Å; F1011-M1033 HydrophobicContact CB-CE 3.93Å; F1011-M1033 CarbonylContact O-C 3.58Å; F1011-M1033 VanDerWaalsContact O-CA 3.26Å; F1011-M1033 WeakPolarHBondContact O-CA 3.42Å; C1012-M1033 HydrophobicContact CB-CE 3.75Å; C1012-M1033 HydrophobicContact CB-SD 3.62Å; L1031-M1033 HydrophobicContact CB-SD 3.93Å; M1033-I1035 PolarHBondContact O-N 2.98Å; M1033-D1043 CarbonylContact O-C 3.6Å; M1033-V1044 HydrophobicContact CB-CB 4.42Å; M1033-V1044 VanDerWaalsContact CB-O 3.27Å; M1033-V1044 WeakPolarHBondContact CB-O 3.38Å; M1033-V1044 WeakPolarHBondContact CG-O 3.26Å; M1033-V1044 PolarHBondContact N-O 3.22Å; M1033-V1044 PolarHBondContact O-N 3.35Å; M1033-Q1046 HydrophobicContact CG-CG 3.88Å |
| 1034 | S | 74.4 | Confident | 70.7 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 111.1 | 172.1 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | F1011 | F1011-S1034 PolarHBondContact O-N 2.71Å; F1011-S1034 PolarHBondContact O-OG 3.33Å |
| 1035 | I | 63.9 | Low | 70.7 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.5 | 170.3 | -53.5 | -174 | 0 | 0 | 0 | 107.8 | M1033 V1044 | M1033-I1035 PolarHBondContact O-N 2.98Å; I1035-V1044 HydrophobicContact CD1-CB 4.11Å; I1035-V1044 HydrophobicContact CD1-CG2 3.62Å; I1035-V1044 HydrophobicContact CG1-CG2 4.2Å |
| 1036 | S | 50.6 | Low | 70.8 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | trans | -137.4 | 55.6 | -169.5 | 68 | 0 | 0 | 0 | 0 | 113.7 | P1079 | S1036-P1079 WeakPolarHBondContact O-CB 3.35Š| ||
| 1037 | D | 49.9 | Very low | 71 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -91.2 | -2.6 | 164.9 | -77.9 | -14.9 | 0 | 0 | 0 | 112.1 | ||
| 1038 | T | 39.8 | Very low | 71.1 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 63% | 0.632 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -140.3 | 154.2 | -178.5 | 42.8 | 0 | 0 | 0 | 0 | 111.8 | E1040 | T1038-E1040 PolarHBondContact O-N 3.24Š|
| 1039 | N | 45.6 | Very low | 71.2 | Confident | 180 Ų | 180 | 66.4 Ų | 66.4 | 96% | 0.963 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -70.8 | 17.9 | -178.7 | -70.4 | -56.2 | 0 | 0 | 0 | 115.1 | ||
| 1040 | E | 48.3 | Very low | 71.3 | Confident | 156 Ų | 156 | 66.4 Ų | 66.4 | 73% | 0.729 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -125.9 | 107.3 | 177.2 | -67.8 | 179.8 | -178.7 | 0 | 0 | 106.8 | T1038 E1042 | T1038-E1040 PolarHBondContact O-N 3.24Å; E1040-E1042 PolarHBondContact O-N 3.37Å; E1040-E1042 VanDerWaalsContact O-N 3.12Å |
| 1041 | Q | 45.7 | Very low | 71.2 | Confident | 143 Ų | 143 | 70.8 Ų | 70.8 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | trans | -81.9 | 87.7 | -173.5 | -174.2 | -172.5 | -34.3 | 0 | 0 | 110.6 | D1043 | Q1041-D1043 PolarHBondContact NE2-OD1 3.43Å; Q1041-D1043 PolarHBondContact O-N 3.4Å | ||
| 1042 | E | 52.7 | Low | 71.2 | Confident | 149 Ų | 149 | 72.9 Ų | 72.9 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 100.2 | 168.4 | -68.5 | -158.4 | 147.6 | 0 | 0 | 110.8 | E1040 V1044 | E1040-E1042 PolarHBondContact O-N 3.37Å; E1040-E1042 VanDerWaalsContact O-N 3.12Å; E1042-V1044 PolarHBondContact O-N 3.46Å |
| 1043 | D | 64.2 | Low | 71.4 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 94.4 | 172.4 | -70.5 | -19.3 | 0 | 0 | 0 | 110.7 | M1033 Q1041 R1045 | M1033-D1043 CarbonylContact O-C 3.6Å; Q1041-D1043 PolarHBondContact NE2-OD1 3.43Å; Q1041-D1043 PolarHBondContact O-N 3.4Å; D1043-R1045 PolarHBondContact O-N 3.04Å |
| 1044 | V | 76.8 | Confident | 71.7 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.3 | -177.7 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | M1033 I1035 E1042 | M1033-V1044 HydrophobicContact CB-CB 4.42Å; M1033-V1044 VanDerWaalsContact CB-O 3.27Å; M1033-V1044 WeakPolarHBondContact CB-O 3.38Å; M1033-V1044 WeakPolarHBondContact CG-O 3.26Å; M1033-V1044 PolarHBondContact N-O 3.22Å; M1033-V1044 PolarHBondContact O-N 3.35Å; I1035-V1044 HydrophobicContact CD1-CB 4.11Å; I1035-V1044 HydrophobicContact CD1-CG2 3.62Å; I1035-V1044 HydrophobicContact CG1-CG2 4.2Å; E1042-V1044 PolarHBondContact O-N 3.46Å |
| 1045 | R | 83.6 | Confident | 72.4 | Confident | 149 Ų | 149 | 83.7 Ų | 83.7 | 56% | 0.562 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.1 | -179.5 | -60.2 | -178.6 | -173.4 | -177.7 | 0.1 | 111.5 | V1030 L1031 E1032 D1043 | V1030-R1045 HydrophobicContact CG1-CB 4.17Å; V1030-R1045 HydrophobicContact CG1-CG 4.45Å; L1031-R1045 WeakPolarHBondContact O-CA 3.3Å; E1032-R1045 HydrophobicContact CG-CG 4.42Å; D1043-R1045 PolarHBondContact O-N 3.04Å |
| 1046 | Q | 85.8 | Confident | 73.7 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123 | 174.5 | -57.9 | -69 | -20.3 | 0 | 0 | 109.6 | I1007 L1031 M1033 | I1007-Q1046 HydrophobicContact CD1-CB 4.05Å; I1007-Q1046 HydrophobicContact CD1-CG 3.91Å; L1031-Q1046 HydrophobicContact CB-CB 4.29Å; L1031-Q1046 PolarHBondContact N-O 3.19Å; L1031-Q1046 PolarHBondContact O-N 2.78Å; M1033-Q1046 HydrophobicContact CG-CG 3.88Å |
| 1047 | L | 90.3 | Very high | 75.4 | Confident | 28 Ų | 28 | 81.4 Ų | 81.4 | 15% | 0.147 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.7 | -177.4 | -83.1 | 159.5 | 0 | 0 | 0 | 110.1 | V972 C973 W978 A1018 I1022 T1028 V1030 | V972-L1047 WeakPolarHBondContact CA-O 3.43Å; C973-L1047 HydrophobicContact CB-CB 3.69Å; C973-L1047 HydrophobicContact CB-CD1 4.2Å; C973-L1047 PolarHBondContact N-O 2.86Å; W978-L1047 HydrophobicContact CH2-CB 3.96Å; W978-L1047 HydrophobicContact CZ3-CB 4.39Å; A1018-L1047 HydrophobicContact CB-CD2 4.45Å; I1022-L1047 HydrophobicContact CG2-CD1 4.42Å; I1022-L1047 HydrophobicContact CG2-CD2 4.03Å; T1028-L1047 HydrophobicContact CG2-CD2 3.72Å; V1030-L1047 HydrophobicContact CG2-CD2 3.88Å |
| 1048 | L | 91.8 | Very high | 77.2 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.5 | -179.4 | -53.1 | 177.9 | 0 | 0 | 0 | 109.7 | L970 N971 V972 L990 F992 T1028 M1029 L1031 | L970-L1048 HydrophobicContact CD1-CB 4.45Å; L970-L1048 HydrophobicContact CD1-CD1 4.36Å; N971-L1048 CarbonylContact O-C 3.57Å; N971-L1048 WeakPolarHBondContact O-CA 3.27Å; V972-L1048 HydrophobicContact CB-CD2 4.35Å; V972-L1048 HydrophobicContact CG1-CD2 4.14Å; V972-L1048 HydrophobicContact CG2-CD2 3.78Å; L990-L1048 HydrophobicContact CD1-CD1 4.14Å; F992-L1048 HydrophobicContact CE1-CD2 4.04Å; F992-L1048 HydrophobicContact CZ-CD2 4.06Å; T1028-L1048 CarbonylContact C-O 3.56Å; T1028-L1048 WeakPolarHBondContact CA-O 3.17Å; T1028-L1048 WeakPolarHBondContact CG2-O 3.35Å; M1029-L1048 HydrophobicContact CG-CB 3.83Å; M1029-L1048 PolarHBondContact N-O 3.18Å; M1029-L1048 PolarHBondContact O-N 3.41Å; M1029-L1048 HydrophobicContact SD-CB 4.37Å; M1029-L1048 HydrophobicContact SD-CD1 4.44Å; L1031-L1048 HydrophobicContact CD1-CD1 3.66Å; L1031-L1048 HydrophobicContact CD1-CG 4.5Å; L1031-L1048 HydrophobicContact CG-CD1 4.34Å |
| 1049 | S | 92.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 120.6 | -175.9 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | N971 W978 R1025 P1026 N1027 T1028 | N971-S1049 WeakPolarHBondContact CB-O 3.37Å; N971-S1049 PolarHBondContact N-O 2.85Å; N971-S1049 PolarHBondContact ND2-O 3.41Å; N971-S1049 PolarHBondContact O-N 2.94Å; W978-S1049 VanDerWaalsContact CZ3-CB 3.5Å; R1025-S1049 WeakPolarHBondContact CD-OG 3.44Å; R1025-S1049 PolarHBondContact NH1-OG 2.92Å; P1026-S1049 PolarHBondContact O-OG 2.91Å; N1027-S1049 WeakPolarHBondContact O-CA 3.39Å; T1028-S1049 VanDerWaalsContact OG1-CB 3.23Å; T1028-S1049 WeakPolarHBondContact OG1-CB 3.27Å; T1028-S1049 PolarHBondContact OG1-OG 3.27Å |
| 1050 | A | 92.4 | Very high | 81.6 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | trans | -85.1 | 156.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L970 N1027 E1055 | L970-A1050 HydrophobicContact CD2-CB 3.85Å; N1027-A1050 VanDerWaalsContact CB-O 3.26Å; N1027-A1050 WeakPolarHBondContact CB-O 3.18Å; N1027-A1050 PolarHBondContact O-N 2.89Å; A1050-E1055 HydrophobicContact CB-CB 4.04Å | ||
| 1051 | D | 89.9 | Confident | 83.4 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -79.7 | -22.7 | -179.7 | -68 | -26.5 | 0 | 0 | 0 | 112.6 | N971 R1025 | N971-D1051 PolarHBondContact ND2-OD1 2.99Å; R1025-D1051 IonicContact NH1-OD1 3.9Å; R1025-D1051 IonicContact NH2-OD1 3.62Å |
| 1052 | S | 88.6 | Confident | 85.2 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -127.7 | 154.2 | 171.6 | 74.6 | 0 | 0 | 0 | 0 | 114.1 | N1027 N1054 E1055 Y1056 | N1027-S1052 VanDerWaalsContact ND2-C 3.33Å; S1052-N1054 VanDerWaalsContact C-N 3.32Å; S1052-N1054 PolarHBondContact O-N 2.87Å; S1052-E1055 WeakPolarHBondContact CB-OE2 3.23Å; S1052-E1055 PolarHBondContact N-OE2 2.84Å; S1052-E1055 PolarHBondContact O-N 2.85Å; S1052-E1055 VanDerWaalsContact OG-CG 3.3Å; S1052-E1055 WeakPolarHBondContact OG-CG 3.49Å; S1052-E1055 PolarHBondContact OG-N 2.92Å; S1052-E1055 PolarHBondContact OG-OE2 3.46Å; S1052-Y1056 PolarHBondContact O-N 2.85Å |
| 1053 | E | 90.1 | Very high | 86.8 | Confident | 137 Ų | 137 | 55.5 Ų | 55.5 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.1 | -41.7 | 176.2 | -178.1 | 177.4 | -147 | 0 | 0 | 111.6 | N1027 E1055 Y1056 E1057 | N1027-E1053 PolarHBondContact ND2-N 2.83Å; E1053-E1055 VanDerWaalsContact C-N 3.31Å; E1053-E1055 PolarHBondContact O-N 3.5Å; E1053-Y1056 WeakPolarHBondContact O-CB 3.34Å; E1053-Y1056 PolarHBondContact O-N 2.87Å; E1053-E1057 WeakPolarHBondContact O-CG 3.28Å; E1053-E1057 PolarHBondContact O-N 2.98Å |
| 1054 | N | 88.7 | Confident | 87.8 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -31 | 179.7 | -160.9 | -58.6 | 0 | 0 | 0 | 112.5 | S1052 R1058 | S1052-N1054 VanDerWaalsContact C-N 3.32Å; S1052-N1054 PolarHBondContact O-N 2.87Å; N1054-R1058 VanDerWaalsContact O-CG 3.28Å; N1054-R1058 WeakPolarHBondContact O-CG 3.34Å; N1054-R1058 PolarHBondContact O-N 2.99Å; N1054-R1058 PolarHBondContact O-NE 3.19Å; N1054-R1058 VanDerWaalsContact OD1-CZ 3.25Å; N1054-R1058 PolarHBondContact OD1-NE 2.84Å; N1054-R1058 PolarHBondContact OD1-NH2 3.28Å |
| 1055 | E | 89.1 | Confident | 87.9 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.9 | -41.7 | 171.3 | -71.1 | 160.4 | 144.2 | 0 | 0 | 111.2 | A1050 S1052 E1053 E1057 R1058 W1059 | A1050-E1055 HydrophobicContact CB-CB 4.04Å; S1052-E1055 WeakPolarHBondContact CB-OE2 3.23Å; S1052-E1055 PolarHBondContact N-OE2 2.84Å; S1052-E1055 PolarHBondContact O-N 2.85Å; S1052-E1055 VanDerWaalsContact OG-CG 3.3Å; S1052-E1055 WeakPolarHBondContact OG-CG 3.49Å; S1052-E1055 PolarHBondContact OG-N 2.92Å; S1052-E1055 PolarHBondContact OG-OE2 3.46Å; E1053-E1055 VanDerWaalsContact C-N 3.31Å; E1053-E1055 PolarHBondContact O-N 3.5Å; E1055-E1057 VanDerWaalsContact C-N 3.33Å; E1055-E1057 PolarHBondContact O-N 3.36Å; E1055-R1058 PolarHBondContact O-N 2.91Å; E1055-W1059 PolarHBondContact O-N 3.01Å |
| 1056 | Y | 90.7 | Very high | 87.6 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.8 | -47.2 | 173.5 | 168.3 | -98.8 | 0 | 0 | 0 | 111.8 | N1027 M1029 S1052 E1053 R1058 W1059 R1060 | N1027-Y1056 HydrophobicContact CB-CD2 4.47Å; N1027-Y1056 HydrophobicContact CB-CG 4.31Å; N1027-Y1056 WeakPolarHBondContact O-CD2 3.47Å; M1029-Y1056 HydrophobicContact CB-CE2 4.01Å; M1029-Y1056 HydrophobicContact CE-CD2 3.64Å; M1029-Y1056 HydrophobicContact CE-CE2 3.89Å; S1052-Y1056 PolarHBondContact O-N 2.85Å; E1053-Y1056 WeakPolarHBondContact O-CB 3.34Å; E1053-Y1056 PolarHBondContact O-N 2.87Å; Y1056-R1058 PolarHBondContact O-N 3.34Å; Y1056-W1059 PolarHBondContact O-N 2.96Å; Y1056-R1060 WeakPolarHBondContact O-CB 3.47Å; Y1056-R1060 PolarHBondContact O-N 2.96Å |
| 1057 | E | 88 | Confident | 87.3 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 178.2 | -66.5 | -150.4 | 111.5 | 0 | 0 | 112.7 | E1053 E1055 R1060 E1061 | E1053-E1057 WeakPolarHBondContact O-CG 3.28Å; E1053-E1057 PolarHBondContact O-N 2.98Å; E1055-E1057 VanDerWaalsContact C-N 3.33Å; E1055-E1057 PolarHBondContact O-N 3.36Å; E1057-R1060 IonicContact OE1-CZ 3.47Å; E1057-R1060 IonicContact OE1-NH1 2.72Å; E1057-R1060 IonicContact OE1-NH2 2.7Å; E1057-R1060 PolarHBondContact OE1-NH2 3.12Å; E1057-E1061 WeakPolarHBondContact O-CB 3.28Å; E1057-E1061 WeakPolarHBondContact O-CG 3.47Å; E1057-E1061 PolarHBondContact O-N 2.97Å |
| 1058 | R | 87.1 | Confident | 86.6 | Confident | 115 Ų | 115 | 51.4 Ų | 51.4 | 43% | 0.434 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.3 | -46.1 | 175.9 | -69.8 | 173.6 | -147.5 | 174.9 | 6 | 112.4 | N1054 E1055 Y1056 E1061 N1062 | N1054-R1058 VanDerWaalsContact O-CG 3.28Å; N1054-R1058 WeakPolarHBondContact O-CG 3.34Å; N1054-R1058 PolarHBondContact O-N 2.99Å; N1054-R1058 PolarHBondContact O-NE 3.19Å; N1054-R1058 VanDerWaalsContact OD1-CZ 3.25Å; N1054-R1058 PolarHBondContact OD1-NE 2.84Å; N1054-R1058 PolarHBondContact OD1-NH2 3.28Å; E1055-R1058 PolarHBondContact O-N 2.91Å; Y1056-R1058 PolarHBondContact O-N 3.34Å; R1058-E1061 PolarHBondContact O-N 3.19Å; R1058-N1062 VanDerWaalsContact O-CB 3.28Å; R1058-N1062 WeakPolarHBondContact O-CB 3.41Å; R1058-N1062 VanDerWaalsContact O-CG 3.26Å; R1058-N1062 PolarHBondContact O-N 2.6Å; R1058-N1062 PolarHBondContact O-ND2 2.89Å |
| 1059 | W | 89.5 | Confident | 85.7 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.2 | -80.3 | 110.7 | 0 | 0 | 0 | 110.7 | E966 L970 C983 L985 L990 M1029 E1055 Y1056 N1062 I1063 | E966-W1059 HydrophobicContact CB-CZ3 4.41Å; E966-W1059 HydrophobicContact CG-CD2 4.36Å; E966-W1059 HydrophobicContact CG-CE3 4.44Å; E966-W1059 HydrophobicContact CG-CH2 4.47Å; E966-W1059 HydrophobicContact CG-CZ2 4.4Å; E966-W1059 HydrophobicContact CG-CZ3 4.5Å; L970-W1059 HydrophobicContact CD1-CD2 3.83Å; L970-W1059 HydrophobicContact CD1-CE3 4.08Å; L970-W1059 HydrophobicContact CD1-CG 4.26Å; L970-W1059 HydrophobicContact CD1-CH2 4.38Å; L970-W1059 HydrophobicContact CD1-CZ2 4.13Å; L970-W1059 HydrophobicContact CD1-CZ3 4.34Å; L970-W1059 HydrophobicContact CD2-CD2 4.37Å; L970-W1059 HydrophobicContact CD2-CG 4.06Å; L970-W1059 HydrophobicContact CG-CD2 4.31Å; L970-W1059 HydrophobicContact CG-CZ2 4.27Å; C983-W1059 HydrophobicContact CB-CH2 3.64Å; C983-W1059 HydrophobicContact CB-CZ2 3.91Å; C983-W1059 HydrophobicContact CB-CZ3 4.49Å; L985-W1059 HydrophobicContact CB-CZ3 3.97Å; L990-W1059 HydrophobicContact CD2-CE3 4.37Å; L990-W1059 HydrophobicContact CD2-CZ3 3.73Å; M1029-W1059 HydrophobicContact CE-CB 3.79Å; E1055-W1059 PolarHBondContact O-N 3.01Å; Y1056-W1059 PolarHBondContact O-N 2.96Å; W1059-N1062 PolarHBondContact O-N 3.02Å; W1059-I1063 HydrophobicContact CE3-CD1 4.37Å; W1059-I1063 VanDerWaalsContact O-CB 3.31Å; W1059-I1063 WeakPolarHBondContact O-CB 3.39Å; W1059-I1063 VanDerWaalsContact O-CG1 3.24Å; W1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; W1059-I1063 PolarHBondContact O-N 3.18Å |
| 1060 | R | 88.3 | Confident | 84.7 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.1 | -54.3 | 172.9 | -175.3 | -169.4 | 68.4 | -156.3 | -7.1 | 111.3 | M1015 Y1056 E1057 N1062 I1063 D1064 | M1015-R1060 HydrophobicContact CE-CB 4.42Å; M1015-R1060 HydrophobicContact CE-CG 3.63Å; M1015-R1060 WeakPolarHBondContact CE-O 3.34Å; M1015-R1060 HydrophobicContact SD-CG 4.31Å; Y1056-R1060 WeakPolarHBondContact O-CB 3.47Å; Y1056-R1060 PolarHBondContact O-N 2.96Å; E1057-R1060 IonicContact OE1-CZ 3.47Å; E1057-R1060 IonicContact OE1-NH1 2.72Å; E1057-R1060 IonicContact OE1-NH2 2.7Å; E1057-R1060 PolarHBondContact OE1-NH2 3.12Å; R1060-N1062 PolarHBondContact O-N 2.82Å; R1060-I1063 PolarHBondContact O-N 3.01Å; R1060-D1064 WeakPolarHBondContact O-CB 3.42Å; R1060-D1064 PolarHBondContact O-N 2.72Å |
| 1061 | E | 85.5 | Confident | 83.8 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 178.4 | -82.3 | -174.5 | -163.1 | 0 | 0 | 112.7 | E1057 R1058 R1065 | E1057-E1061 WeakPolarHBondContact O-CB 3.28Å; E1057-E1061 WeakPolarHBondContact O-CG 3.47Å; E1057-E1061 PolarHBondContact O-N 2.97Å; R1058-E1061 PolarHBondContact O-N 3.19Å; E1061-R1065 WeakPolarHBondContact O-CB 3.49Å; E1061-R1065 VanDerWaalsContact O-CG 3.23Å; E1061-R1065 WeakPolarHBondContact O-CG 3.28Å; E1061-R1065 PolarHBondContact O-N 2.94Å; E1061-R1065 IonicContact OE2-CZ 2.73Å; E1061-R1065 IonicContact OE2-NH1 2.75Å; E1061-R1065 PolarHBondContact OE2-NH1 3.1Å; E1061-R1065 IonicContact OE2-NH2 3.22Å; E1061-R1065 PolarHBondContact OE2-NH2 2.89Å |
| 1062 | N | 83.9 | Confident | 83 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74 | -38.8 | -176.4 | -72.8 | -24.3 | 0 | 0 | 0 | 112.2 | E966 L985 R1058 W1059 R1060 R1065 V1066 | E966-N1062 WeakPolarHBondContact CG-ND2 3.48Å; E966-N1062 PolarHBondContact OE2-ND2 2.83Å; L985-N1062 HydrophobicContact CD2-CB 4.06Å; R1058-N1062 VanDerWaalsContact O-CB 3.28Å; R1058-N1062 WeakPolarHBondContact O-CB 3.41Å; R1058-N1062 VanDerWaalsContact O-CG 3.26Å; R1058-N1062 PolarHBondContact O-N 2.6Å; R1058-N1062 PolarHBondContact O-ND2 2.89Å; W1059-N1062 PolarHBondContact O-N 3.02Å; R1060-N1062 PolarHBondContact O-N 2.82Å; N1062-R1065 PolarHBondContact OD1-NH1 3.19Å; N1062-V1066 WeakPolarHBondContact O-CG2 3.37Å; N1062-V1066 PolarHBondContact O-N 3.36Å; N1062-V1066 VanDerWaalsContact O-N 3.11Å |
| 1063 | I | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 173.6 | -67.8 | 166.8 | 0 | 0 | 0 | 109.9 | L985 L990 L1009 M1015 M1029 L1031 W1059 R1060 R1065 V1066 L1067 | L985-I1063 HydrophobicContact CD2-CG1 4.22Å; L990-I1063 HydrophobicContact CD1-CD1 4.13Å; L1009-I1063 HydrophobicContact CD1-CG1 4.47Å; L1009-I1063 HydrophobicContact CD1-CG2 4.16Å; L1009-I1063 HydrophobicContact CD2-CG2 4.16Å; M1015-I1063 HydrophobicContact SD-CB 4.01Å; M1015-I1063 HydrophobicContact SD-CG2 3.74Å; M1029-I1063 HydrophobicContact SD-CD1 3.83Å; L1031-I1063 HydrophobicContact CD2-CG2 3.98Å; W1059-I1063 HydrophobicContact CE3-CD1 4.37Å; W1059-I1063 VanDerWaalsContact O-CB 3.31Å; W1059-I1063 WeakPolarHBondContact O-CB 3.39Å; W1059-I1063 VanDerWaalsContact O-CG1 3.24Å; W1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; W1059-I1063 PolarHBondContact O-N 3.18Å; R1060-I1063 PolarHBondContact O-N 3.01Å; I1063-R1065 PolarHBondContact O-N 3.05Å; I1063-V1066 CarbonylContact O-C 3.49Å; I1063-V1066 PolarHBondContact O-N 3.22Å; I1063-V1066 VanDerWaalsContact O-N 3.11Å; I1063-L1067 HydrophobicContact CG2-CD1 3.91Å; I1063-L1067 HydrophobicContact CG2-CG 4.12Å; I1063-L1067 WeakPolarHBondContact O-CG 3.3Å; I1063-L1067 PolarHBondContact O-N 3.2Å |
| 1064 | D | 84.6 | Confident | 80.7 | Confident | 92 Ų | 92 | 49 Ų | 49 | 49% | 0.492 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 178.9 | -165.2 | 47.5 | 0 | 0 | 0 | 112.6 | M1015 R1060 V1066 L1067 S1068 | M1015-D1064 HydrophobicContact CE-CB 3.7Å; R1060-D1064 WeakPolarHBondContact O-CB 3.42Å; R1060-D1064 PolarHBondContact O-N 2.72Å; D1064-V1066 PolarHBondContact O-N 3.4Å; D1064-L1067 PolarHBondContact O-N 3.47Å; D1064-S1068 WeakPolarHBondContact O-CB 3.46Å; D1064-S1068 PolarHBondContact O-N 2.83Å |
| 1065 | R | 78.4 | Confident | 78.9 | Confident | 90 Ų | 90 | 47 Ų | 47 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55 | -53.7 | 169.5 | -77.1 | 172.3 | -166.3 | 125.2 | 14.1 | 110.9 | E1061 N1062 I1063 L1067 S1068 F1069 | E1061-R1065 WeakPolarHBondContact O-CB 3.49Å; E1061-R1065 VanDerWaalsContact O-CG 3.23Å; E1061-R1065 WeakPolarHBondContact O-CG 3.28Å; E1061-R1065 PolarHBondContact O-N 2.94Å; E1061-R1065 IonicContact OE2-CZ 2.73Å; E1061-R1065 IonicContact OE2-NH1 2.75Å; E1061-R1065 PolarHBondContact OE2-NH1 3.1Å; E1061-R1065 IonicContact OE2-NH2 3.22Å; E1061-R1065 PolarHBondContact OE2-NH2 2.89Å; N1062-R1065 PolarHBondContact OD1-NH1 3.19Å; I1063-R1065 PolarHBondContact O-N 3.05Å; R1065-L1067 VanDerWaalsContact C-N 3.33Å; R1065-L1067 PolarHBondContact O-N 3.08Å; R1065-S1068 PolarHBondContact O-N 2.94Å; R1065-S1068 VanDerWaalsContact O-N 3.15Å; R1065-S1068 PolarHBondContact O-OG 2.83Å; R1065-F1069 HydrophobicContact CB-CE1 4.38Å; R1065-F1069 HydrophobicContact CB-CE2 4.18Å; R1065-F1069 HydrophobicContact CB-CZ 4.02Å; R1065-F1069 HydrophobicContact CG-CZ 4.42Å; R1065-F1069 WeakPolarHBondContact O-CD1 3.39Å; R1065-F1069 WeakPolarHBondContact O-CG 3.48Å; R1065-F1069 PolarHBondContact O-N 3.22Å |
| 1066 | V | 77.6 | Confident | 76.6 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 178.7 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | V960 L963 L985 L1009 N1062 I1063 D1064 S1068 F1069 T1070 | V960-V1066 HydrophobicContact CG1-CG1 4.45Å; V960-V1066 HydrophobicContact CG1-CG2 4.25Å; V960-V1066 HydrophobicContact CG2-CG2 4.39Å; L963-V1066 HydrophobicContact CD1-CG2 3.92Å; L985-V1066 HydrophobicContact CD2-CG2 4.15Å; L1009-V1066 HydrophobicContact CB-CG1 4.34Å; L1009-V1066 HydrophobicContact CD1-CB 4.33Å; L1009-V1066 HydrophobicContact CD1-CG1 3.76Å; N1062-V1066 WeakPolarHBondContact O-CG2 3.37Å; N1062-V1066 PolarHBondContact O-N 3.36Å; N1062-V1066 VanDerWaalsContact O-N 3.11Å; I1063-V1066 CarbonylContact O-C 3.49Å; I1063-V1066 PolarHBondContact O-N 3.22Å; I1063-V1066 VanDerWaalsContact O-N 3.11Å; D1064-V1066 PolarHBondContact O-N 3.4Å; V1066-S1068 PolarHBondContact O-N 3.22Å; V1066-F1069 PolarHBondContact O-N 3.25Å; V1066-T1070 WeakPolarHBondContact O-CB 3.37Å; V1066-T1070 PolarHBondContact O-N 2.87Å; V1066-T1070 PolarHBondContact O-OG1 2.79Å; V1066-T1070 VanDerWaalsContact O-OG1 3.14Å |
| 1067 | L | 79.4 | Confident | 74.1 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176 | -66.8 | 176.5 | 0 | 0 | 0 | 112.2 | L1009 C1012 M1015 I1063 D1064 R1065 F1069 K1071 | L1009-L1067 HydrophobicContact CB-CD2 4.02Å; L1009-L1067 HydrophobicContact CD2-CD2 4.38Å; C1012-L1067 HydrophobicContact CB-CD2 3.59Å; M1015-L1067 HydrophobicContact CB-CD1 3.73Å; I1063-L1067 HydrophobicContact CG2-CD1 3.91Å; I1063-L1067 HydrophobicContact CG2-CG 4.12Å; I1063-L1067 WeakPolarHBondContact O-CG 3.3Å; I1063-L1067 PolarHBondContact O-N 3.2Å; D1064-L1067 PolarHBondContact O-N 3.47Å; R1065-L1067 VanDerWaalsContact C-N 3.33Å; R1065-L1067 PolarHBondContact O-N 3.08Å; L1067-F1069 VanDerWaalsContact C-N 3.33Å; L1067-F1069 PolarHBondContact O-N 2.95Å; L1067-K1071 VanDerWaalsContact O-CB 3.3Å; L1067-K1071 WeakPolarHBondContact O-CB 3.47Å; L1067-K1071 WeakPolarHBondContact O-CG 3.31Å; L1067-K1071 PolarHBondContact O-N 2.79Å |
| 1068 | S | 76 | Confident | 71.4 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 174.7 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | D1064 R1065 V1066 K1071 V1072 | D1064-S1068 WeakPolarHBondContact O-CB 3.46Å; D1064-S1068 PolarHBondContact O-N 2.83Å; R1065-S1068 PolarHBondContact O-N 2.94Å; R1065-S1068 VanDerWaalsContact O-N 3.15Å; R1065-S1068 PolarHBondContact O-OG 2.83Å; V1066-S1068 PolarHBondContact O-N 3.22Å; S1068-K1071 PolarHBondContact O-N 2.77Å; S1068-V1072 WeakPolarHBondContact O-CG2 3.43Å; S1068-V1072 PolarHBondContact O-N 2.95Å; S1068-V1072 VanDerWaalsContact O-N 3.13Å |
| 1069 | F | 73 | Confident | 68.8 | Low | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.044 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 179.8 | -59.3 | -6.7 | 0 | 0 | 0 | 110.4 | P789 P957 T959 V960 L963 R1065 V1066 L1067 V1072 W1073 | P789-F1069 HydrophobicContact CB-CB 4.36Å; P789-F1069 HydrophobicContact CB-CD1 3.38Å; P789-F1069 HydrophobicContact CB-CE1 3.82Å; P789-F1069 HydrophobicContact CB-CG 4Å; P789-F1069 HydrophobicContact CG-CD1 4.38Å; P957-F1069 HydrophobicContact CB-CB 4.14Å; T959-F1069 VanDerWaalsContact CB-CE2 3.43Å; T959-F1069 HydrophobicContact CG2-CD2 4.14Å; T959-F1069 HydrophobicContact CG2-CE2 3.34Å; T959-F1069 HydrophobicContact CG2-CZ 3.7Å; V960-F1069 HydrophobicContact CG2-CB 3.92Å; V960-F1069 HydrophobicContact CG2-CD2 3.75Å; V960-F1069 HydrophobicContact CG2-CG 4.36Å; L963-F1069 HydrophobicContact CD1-CD2 4.33Å; L963-F1069 HydrophobicContact CD1-CE2 3.83Å; L963-F1069 HydrophobicContact CG-CE2 4.45Å; R1065-F1069 HydrophobicContact CB-CE1 4.38Å; R1065-F1069 HydrophobicContact CB-CE2 4.18Å; R1065-F1069 HydrophobicContact CB-CZ 4.02Å; R1065-F1069 HydrophobicContact CG-CZ 4.42Å; R1065-F1069 WeakPolarHBondContact O-CD1 3.39Å; R1065-F1069 WeakPolarHBondContact O-CG 3.48Å; R1065-F1069 PolarHBondContact O-N 3.22Å; V1066-F1069 PolarHBondContact O-N 3.25Å; L1067-F1069 VanDerWaalsContact C-N 3.33Å; L1067-F1069 PolarHBondContact O-N 2.95Å; F1069-V1072 PolarHBondContact O-N 2.89Å; F1069-W1073 VanDerWaalsContact O-CD1 3.28Å; F1069-W1073 PolarHBondContact O-N 2.78Å |
| 1070 | T | 71.6 | Confident | 66 | Low | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 176 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | H1010 V1066 V1072 G1074 | H1010-T1070 HydrophobicContact CB-CG2 4.31Å; H1010-T1070 WeakPolarHBondContact CD2-CG2 3.44Å; V1066-T1070 WeakPolarHBondContact O-CB 3.37Å; V1066-T1070 PolarHBondContact O-N 2.87Å; V1066-T1070 PolarHBondContact O-OG1 2.79Å; V1066-T1070 VanDerWaalsContact O-OG1 3.14Å; T1070-V1072 PolarHBondContact O-N 2.83Å; T1070-G1074 CarbonylContact O-C 3.5Å; T1070-G1074 WeakPolarHBondContact O-CA 3.41Å; T1070-G1074 PolarHBondContact O-N 2.88Å |
| 1071 | K | 74.5 | Confident | 63.5 | Low | 118 Ų | 118 | 61 Ų | 61 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 174.5 | -76.9 | 171.5 | 179.6 | -177.6 | 0 | 113.2 | T1013 L1067 S1068 | T1013-K1071 WeakPolarHBondContact O-CE 3.48Å; T1013-K1071 PolarHBondContact O-NZ 2.91Å; L1067-K1071 VanDerWaalsContact O-CB 3.3Å; L1067-K1071 WeakPolarHBondContact O-CB 3.47Å; L1067-K1071 WeakPolarHBondContact O-CG 3.31Å; L1067-K1071 PolarHBondContact O-N 2.79Å; S1068-K1071 PolarHBondContact O-N 2.77Å |
| 1072 | V | 71.2 | Confident | 60.8 | Low | 59 Ų | 59 | 62.9 Ų | 62.9 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75.6 | -45.4 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | P789 P861 L926 S1068 F1069 T1070 | P789-V1072 HydrophobicContact CG-CB 3.95Å; P789-V1072 HydrophobicContact CG-CG1 3.87Å; P789-V1072 HydrophobicContact CG-CG2 4.03Å; P861-V1072 HydrophobicContact CB-CG1 3.74Å; P861-V1072 HydrophobicContact CG-CG1 3.67Å; L926-V1072 HydrophobicContact CD2-CG1 4.02Å; S1068-V1072 WeakPolarHBondContact O-CG2 3.43Å; S1068-V1072 PolarHBondContact O-N 2.95Å; S1068-V1072 VanDerWaalsContact O-N 3.13Å; F1069-V1072 PolarHBondContact O-N 2.89Å; T1070-V1072 PolarHBondContact O-N 2.83Å |
| 1073 | W | 72.3 | Confident | 58.3 | Low | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -92.5 | -33.5 | -174.2 | -67 | 98.4 | 0 | 0 | 0 | 113.4 | P789 G791 L859 P861 F863 L926 R930 C955 P957 F1069 | P789-W1073 WeakPolarHBondContact O-CZ2 3.4Å; P789-W1073 PolarHBondContact O-NE1 2.72Å; G791-W1073 VanDerWaalsContact CA-CE2 3.5Å; G791-W1073 VanDerWaalsContact CA-CZ2 3.47Å; G791-W1073 VanDerWaalsContact N-CZ2 3.26Å; L859-W1073 HydrophobicContact CB-CH2 4.11Å; L859-W1073 WeakPolarHBondContact O-CH2 3.21Å; L859-W1073 WeakPolarHBondContact O-CZ2 3.17Å; P861-W1073 HydrophobicContact CB-CZ2 4.48Å; P861-W1073 HydrophobicContact CG-CZ2 4.14Å; F863-W1073 HydrophobicContact CD1-CH2 4.1Å; F863-W1073 HydrophobicContact CD1-CZ3 4.34Å; F863-W1073 HydrophobicContact CE1-CH2 4.18Å; F863-W1073 AromaticContact CE1-CZ3 3.94Å; F863-W1073 HydrophobicContact CE1-CZ3 3.94Å; L926-W1073 HydrophobicContact CD1-CE3 3.69Å; L926-W1073 HydrophobicContact CD1-CZ3 3.81Å; R930-W1073 PolarHBondContact NH2-O 3.42Å; C955-W1073 HydrophobicContact CB-CE3 3.98Å; P957-W1073 HydrophobicContact CB-CB 4.17Å; P957-W1073 HydrophobicContact CB-CG 4.13Å; F1069-W1073 VanDerWaalsContact O-CD1 3.28Å; F1069-W1073 PolarHBondContact O-N 2.78Å |
| 1074 | G | 59.5 | Low | 55.5 | Low | 28 Ų | 28 | 72.2 Ų | 72.2 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | trans | -121.3 | 42.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1070 E1076 | T1070-G1074 CarbonylContact O-C 3.5Å; T1070-G1074 WeakPolarHBondContact O-CA 3.41Å; T1070-G1074 PolarHBondContact O-N 2.88Å; G1074-E1076 PolarHBondContact O-N 3.36Å | ||
| 1075 | A | 49.8 | Very low | 53 | Low | 51 Ų | 51 | 73.2 Ų | 73.2 | 42% | 0.421 | 42% | 0.417 | S | S | . | . | trans | -51.4 | 124.8 | 160 | 0 | 0 | 0 | 0 | 0 | 109.7 | R930 | R930-A1075 PolarHBondContact NH1-O 2.98Å; R930-A1075 PolarHBondContact NH2-O 3.16Å | ||
| 1076 | E | 41.9 | Very low | 50.6 | Low | 179 Ų | 179 | 74.2 Ų | 74.2 | 84% | 0.836 | 44% | 0.438 | S | S | * | . | trans | 33.2 | 108.4 | 169.9 | -64.1 | 176.7 | 146.2 | 0 | 0 | 118.1 | G1074 | G1074-E1076 PolarHBondContact O-N 3.36Š| ||
| 1077 | L | 38.5 | Very low | 48.5 | Very low | 111 Ų | 111 | 83.7 Ų | 83.7 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | trans | -58.4 | 131.1 | 139.6 | -71.5 | 167.3 | 0 | 0 | 0 | 107.7 | F1011 | F1011-L1077 HydrophobicContact CZ-CD1 4.48Š| ||
| 1078 | S | 30.1 | Very low | 47 | Very low | 69 Ų | 69 | 87.6 Ų | 87.6 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | trans | -62.7 | 136.9 | 167.1 | 180 | 0 | 0 | 0 | 0 | 108.9 | N1080 V1081 | S1078-N1080 PolarHBondContact O-N 3.23Å; S1078-N1080 PolarHBondContact OG-ND2 3.1Å; S1078-V1081 PolarHBondContact O-N 2.65Å | ||
| 1079 | P | 33.4 | Very low | 45.4 | Very low | 81 Ų | 81 | 89.5 Ų | 89.5 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 21.4 | -177.7 | 29.2 | -37.1 | 0 | 0 | 0 | 114.6 | S1036 | S1036-P1079 WeakPolarHBondContact O-CB 3.35Š|
| 1080 | N | 30.9 | Very low | 43.9 | Very low | 138 Ų | 138 | 93.9 Ų | 93.9 | 74% | 0.738 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 5.8 | 176.3 | -64.4 | -66.8 | 0 | 0 | 0 | 113 | S1078 | S1078-N1080 PolarHBondContact O-N 3.23Å; S1078-N1080 PolarHBondContact OG-ND2 3.1Å |
| 1081 | V | 35.2 | Very low | 42.3 | Very low | 91 Ų | 91 | 98.9 Ų | 98.9 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -103.7 | 110.8 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 108 | S1078 S1083 | S1078-V1081 PolarHBondContact O-N 2.65Å; V1081-S1083 PolarHBondContact O-N 2.88Å |
| 1082 | P | 27.7 | Very low | 40.2 | Very low | 112 Ų | 112 | 97.8 Ų | 97.8 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | trans | -66.5 | 108.3 | -178.1 | 26.6 | -33.6 | 0 | 0 | 0 | 109.9 | ||||
| 1083 | S | 31.6 | Very low | 38.2 | Very low | 46 Ų | 46 | 100.3 Ų | 100.3 | 32% | 0.322 | 60% | 0.604 | S | S | . | * | trans | -66.9 | 133.7 | 172.6 | -65.4 | 0 | 0 | 0 | 0 | 108.9 | V1081 T1085 | V1081-S1083 PolarHBondContact O-N 2.88Å; S1083-T1085 PolarHBondContact O-N 2.91Å | ||
| 1084 | I | 28.7 | Very low | 35.7 | Very low | 172 Ų | 172 | 107.4 Ų | 107.4 | 88% | 0.882 | 65% | 0.646 | S | S | * | * | trans | -78.4 | 77.3 | 177.2 | -56.7 | 179.4 | 0 | 0 | 0 | 108.6 | S1086 | I1084-S1086 VanDerWaalsContact C-N 3.33Å; I1084-S1086 PolarHBondContact O-N 3.47Å | ||
| 1085 | T | 30.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 69% | 0.693 | 67% | 0.674 | S | S | * | * | trans | -73.1 | 86.9 | 168.1 | 41.6 | 0 | 0 | 0 | 0 | 109 | S1083 V1087 | S1083-T1085 PolarHBondContact O-N 2.91Å; T1085-V1087 PolarHBondContact O-N 3.18Å | ||
| 1086 | S | 29.2 | Very low | 32.6 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | trans | -65.5 | 120.5 | 167.5 | -161.5 | 0 | 0 | 0 | 0 | 109.3 | I1084 | I1084-S1086 VanDerWaalsContact C-N 3.33Å; I1084-S1086 PolarHBondContact O-N 3.47Å | ||
| 1087 | V | 33.1 | Very low | 31.8 | Very low | 200 Ų | 200 | 113.2 Ų | 113.2 | 100% | 1.212 | 68% | 0.682 | S | S | * | * | trans | -73.2 | 0 | 150.6 | -176.1 | 0 | 0 | 0 | 0 | 109 | T1085 | T1085-V1087 PolarHBondContact O-N 3.18Š|
Retrieved 1,087 of 1,087 residues in 555.6 ms
(Link to these results)