| 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 | 42.1 | Very low | 40.3 | Very low | 241 Ų | 241 | 141.3 Ų | 141.3 | 100% | 1.187 | 80% | 0.795 | S | S | * | * | 0 | 80.4 | 0 | -68.1 | 167.5 | 131 | 0 | 0 | 106 | |||||
| 2 | A | 36.3 | Very low | 39.8 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | 71.8 | 101.7 | 85.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 3 | S | 40.5 | Very low | 39.7 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | 91.4 | 135.6 | 87.7 | 66.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 4 | N | 40.3 | Very low | 40.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | cis | -164.7 | 155.6 | 21.2 | -85.8 | -39.2 | 0 | 0 | 0 | 110.4 | ||||
| 5 | S | 47.1 | Very low | 40.3 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -57.2 | 150.7 | 152.5 | -39.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 6 | I | 42 | Very low | 41 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -160 | 118.5 | 153.6 | -104.4 | 144.1 | 0 | 0 | 0 | 111.5 | ||||
| 7 | F | 38.7 | Very low | 41 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 49.8 | 119.7 | 150.1 | -72.5 | -100.3 | 0 | 0 | 0 | 120.9 | ||||
| 8 | D | 34.8 | Very low | 40.8 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | 73.1 | 120.6 | 53 | -153.6 | 1.8 | 0 | 0 | 0 | 112.7 | |||||
| 9 | S | 36.7 | Very low | 40.4 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 165.9 | 101.1 | 149.1 | -73.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 10 | F | 41.6 | Very low | 40 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 146.6 | 151.3 | -70.4 | -94.3 | 0 | 0 | 0 | 109.5 | T12 | F10-T12 PolarHBondContact O-N 3.25Š| ||
| 11 | P | 43.5 | Very low | 40.2 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -84.5 | 100.3 | 165.7 | 30.4 | -27 | 0 | 0 | 0 | 110.4 | ||||
| 12 | T | 33.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 120.9 | 154.5 | -54.4 | 0 | 0 | 0 | 0 | 108.1 | F10 | F10-T12 PolarHBondContact O-N 3.25Š|
| 13 | Y | 38.8 | Very low | 39.9 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 138.6 | 166.9 | -92.3 | -86.8 | 0 | 0 | 0 | 110.4 | ||
| 14 | P | 51.3 | Low | 39.8 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 151.6 | -174.5 | 35.8 | -32.9 | 0 | 0 | 0 | 113.5 | ||
| 15 | Q | 37.4 | Very low | 39.8 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 152.6 | 158.5 | -79.8 | -78.3 | 1.7 | 0 | 0 | 111.4 | ||
| 16 | P | 51.5 | Low | 39.5 | Very low | 113 Ų | 113 | 158.1 Ų | 158.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -117.2 | 137.6 | 145.4 | 33.5 | -21.9 | 0 | 0 | 0 | 112.2 | ||||
| 17 | Y | 41.3 | Very low | 39.2 | Very low | 227 Ų | 227 | 160.9 Ų | 160.9 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 136.3 | 169.8 | -69.8 | -95.2 | 0 | 0 | 0 | 111.8 | ||||
| 18 | L | 37.8 | Very low | 39.6 | Very low | 169 Ų | 169 | 157.6 Ų | 157.6 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | 178.5 | 108.2 | 128.2 | -131.1 | 79.2 | 0 | 0 | 0 | 114 | |||||
| 19 | R | 33.2 | Very low | 39.8 | Very low | 217 Ų | 217 | 156.8 Ų | 156.8 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | 38.9 | 120.2 | 128.3 | -154.9 | 162 | -169.7 | 165.1 | 2.7 | 124.7 | |||||
| 20 | D | 32.3 | Very low | 40.1 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | 66.5 | 158.1 | 142.2 | -68.5 | -25.4 | 0 | 0 | 0 | 122.8 | ||||
| 21 | P | 44.4 | Very low | 39.6 | Very low | 115 Ų | 115 | 154 Ų | 154 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -135.6 | -176.8 | -27.3 | 33.6 | -13.2 | 0 | 0 | 0 | 114.2 | ||||
| 22 | N | 33.3 | Very low | 39.2 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | 83.3 | 106.5 | 166.4 | -136.5 | 4.9 | 0 | 0 | 0 | 114.1 | ||||
| 23 | T | 36.9 | Very low | 39.3 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | -154.6 | 124.2 | 68.4 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 24 | S | 38.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 118.4 | 170.4 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 25 | R | 41.2 | Very low | 38.6 | Very low | 241 Ų | 241 | 153.7 Ų | 153.7 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -136.1 | 82.4 | 152 | -73.3 | -164.7 | -168.8 | -119.2 | 3.4 | 109.3 | ||||
| 26 | R | 41.4 | Very low | 38.3 | Very low | 224 Ų | 224 | 150.9 Ų | 150.9 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -94.3 | 112.6 | 170.1 | -167.5 | 178.4 | -133 | -135.9 | 1.8 | 107.6 | ||||
| 27 | F | 35.9 | Very low | 37.6 | Very low | 207 Ų | 207 | 151.5 Ų | 151.5 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -76.4 | 117.6 | 167.6 | -105.7 | -95.3 | 0 | 0 | 0 | 108.5 | ||||
| 28 | T | 45.5 | Very low | 37.3 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | trans | -105.3 | 138.2 | 169.7 | 31.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | P | 40 | Very low | 37.1 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 150 | 175.3 | 33.3 | -33 | 0 | 0 | 0 | 110.9 | ||
| 30 | P | 42.8 | Very low | 37.2 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.3 | 179.2 | 32 | -29.7 | 0 | 0 | 0 | 111.6 | ||
| 31 | S | 31 | Very low | 37.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -97 | 135.1 | 156.5 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | ||
| 32 | T | 34.1 | Very low | 37.2 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -120.9 | 114.3 | 169.3 | 33.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 33 | T | 36.6 | Very low | 37.6 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -124.9 | 113.4 | 162.3 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 34 | L | 42.6 | Very low | 37.6 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | 28.6 | 126.2 | 142.5 | -55.9 | 168.9 | 0 | 0 | 0 | 120.5 | ||||
| 35 | S | 33.3 | Very low | 38 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | -169.2 | 142.6 | 128.5 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 36 | S | 31.1 | Very low | 37.9 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -62.1 | 147.3 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 37 | S | 36.1 | Very low | 37.7 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | 159.3 | 128.1 | 128.8 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 38 | G | 35 | Very low | 38 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 169.7 | 84.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 39 | S | 34.3 | Very low | 37.7 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | -52.9 | 141.8 | 177.2 | 46.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 40 | G | 35.2 | Very low | 37.6 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 112.1 | 102.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 41 | K | 35.7 | Very low | 38 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | 169.3 | 136.8 | 104 | -90.7 | 178.3 | 176.5 | -178 | 0 | 111.5 | |||||
| 42 | M | 40.5 | Very low | 38.1 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -16.3 | 134 | 164.5 | 67.1 | -156.2 | -161.5 | 0 | 0 | 118.1 | ||||
| 43 | S | 41.2 | Very low | 38.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | 159.2 | 119.3 | 106.8 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 44 | E | 38.3 | Very low | 38.5 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -67 | 160.5 | 164.8 | -127.3 | -166.3 | -177.2 | 0 | 0 | 110.8 | V46 | E44-V46 WeakPolarHBondContact OE1-CG2 3.2Š| ||
| 45 | P | 47.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -141.4 | 151.4 | 78.2 | 33.7 | -15.3 | 0 | 0 | 0 | 116.6 | |||||
| 46 | V | 38.8 | Very low | 39 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 56% | 0.564 | 81% | 0.807 | S | S | * | * | trans | -45.9 | 136.7 | 164.9 | 177.9 | 0 | 0 | 0 | 0 | 113.4 | E44 | E44-V46 WeakPolarHBondContact OE1-CG2 3.2Š| ||
| 47 | S | 35.6 | Very low | 39.4 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -145.3 | 129.2 | 147.5 | -74.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 48 | L | 43.3 | Very low | 39.7 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -96.4 | 119.4 | -168.3 | -161.8 | 81.2 | 0 | 0 | 0 | 109.7 | ||||
| 49 | S | 38.1 | Very low | 40 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -165 | 113 | 152.6 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 50 | Q | 39.4 | Very low | 40.4 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -80.4 | 177.8 | 159.7 | -103.4 | -174.2 | -31.4 | 0 | 0 | 109.8 | ||||
| 51 | P | 51.2 | Low | 41.1 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -133.5 | 159.7 | -43.9 | 34.8 | -17.9 | 0 | 0 | 0 | 111.7 | ||||
| 52 | S | 31.8 | Very low | 41.9 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -166.5 | 149.5 | 152.5 | 29.7 | 0 | 0 | 0 | 0 | 112.3 | G54 | S52-G54 PolarHBondContact O-N 2.81Š| ||
| 53 | P | 43.8 | Very low | 42.8 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 108.5 | -154.2 | 32.1 | -31.7 | 0 | 0 | 0 | 111.1 | V55 | P53-V55 PolarHBondContact O-N 3.45Å; P53-V55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | G | 36.8 | Very low | 44 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -68.3 | 103.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S52 L56 | S52-G54 PolarHBondContact O-N 2.81Å; G54-L56 PolarHBondContact O-N 3.35Å | ||
| 55 | V | 42.2 | Very low | 46 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 30.6 | 94.3 | 139 | -172.1 | 0 | 0 | 0 | 0 | 113.6 | P53 S57 | P53-V55 PolarHBondContact O-N 3.45Å; P53-V55 VanDerWaalsContact O-N 3.08Å; V55-S57 PolarHBondContact O-N 3.08Å | ||
| 56 | L | 42.5 | Very low | 47.4 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | trans | -53.6 | 100 | 152.2 | -80.1 | 163.3 | 0 | 0 | 0 | 106.7 | G54 R58 | G54-L56 PolarHBondContact O-N 3.35Å; L56-R58 PolarHBondContact O-N 2.83Å | ||
| 57 | S | 41 | Very low | 49.2 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | trans | -56.7 | 90.5 | 160.8 | 46.4 | 0 | 0 | 0 | 0 | 106.2 | V55 V59 | V55-S57 PolarHBondContact O-N 3.08Å; S57-V59 VanDerWaalsContact C-N 3.28Å; S57-V59 PolarHBondContact O-N 2.75Å | ||
| 58 | R | 41.2 | Very low | 51 | Low | 237 Ų | 237 | 129.6 Ų | 129.6 | 89% | 0.894 | 71% | 0.713 | S | S | * | * | trans | -51.3 | 101.4 | 166 | -172.1 | 177.1 | -166 | 175.2 | 3.3 | 104.9 | L56 R60 | L56-R58 PolarHBondContact O-N 2.83Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.34Å | ||
| 59 | V | 41.9 | Very low | 52.6 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | trans | -50.7 | 105.6 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 104.7 | S57 | S57-V59 VanDerWaalsContact C-N 3.28Å; S57-V59 PolarHBondContact O-N 2.75Å | ||
| 60 | R | 42.6 | Very low | 54.5 | Low | 221 Ų | 221 | 118.8 Ų | 118.8 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 124.2 | 175.9 | -165.7 | 174.5 | -176.3 | 169.5 | -0.1 | 104.4 | R58 E62 | R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.34Å; R60-E62 PolarHBondContact O-N 2.95Å |
| 61 | P | 50.4 | Low | 55.9 | Low | 83 Ų | 83 | 113.3 Ų | 113.3 | 54% | 0.539 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 117.9 | 175.9 | 22.2 | -29.2 | 0 | 0 | 0 | 106.3 | T63 | P61-T63 PolarHBondContact O-N 2.81Å; P61-T63 VanDerWaalsContact O-N 3.16Å |
| 62 | E | 52.1 | Low | 56.8 | Low | 179 Ų | 179 | 114.4 Ų | 114.4 | 84% | 0.836 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -53 | 123.9 | 176.3 | -122.6 | 178.7 | 165.1 | 0 | 0 | 107 | R60 R64 | R60-E62 PolarHBondContact O-N 2.95Å; E62-R64 PolarHBondContact O-N 2.65Å |
| 63 | T | 58.4 | Low | 58.9 | Low | 112 Ų | 112 | 112.7 Ų | 112.7 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | trans | -59.9 | 100.9 | 175.1 | 46.3 | 0 | 0 | 0 | 0 | 107.4 | P61 T65 | P61-T63 PolarHBondContact O-N 2.81Å; P61-T63 VanDerWaalsContact O-N 3.16Å; T63-T65 PolarHBondContact O-N 3.49Å; T63-T65 VanDerWaalsContact O-N 3.13Å | ||
| 64 | R | 68.3 | Low | 60.1 | Low | 180 Ų | 180 | 110.4 Ų | 110.4 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | trans | -59.6 | 119.1 | -179.9 | -70.9 | -177.2 | 175.7 | 169.3 | -2.7 | 108.3 | E62 V69 | E62-R64 PolarHBondContact O-N 2.65Å; R64-V69 HydrophobicContact CB-CG2 3.83Å | ||
| 65 | T | 80.1 | Confident | 62 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 42% | 0.417 | 60% | 0.601 | S | S | . | * | trans | -74.3 | 153.3 | -178.6 | 80.7 | 0 | 0 | 0 | 0 | 109.8 | T63 V67 D68 V69 | T63-T65 PolarHBondContact O-N 3.49Å; T63-T65 VanDerWaalsContact O-N 3.13Å; T65-V67 PolarHBondContact O-N 3.35Å; T65-V67 VanDerWaalsContact O-N 3.11Å; T65-D68 PolarHBondContact O-N 3.03Å; T65-D68 VanDerWaalsContact OG1-CG 3.26Å; T65-D68 PolarHBondContact OG1-N 3.09Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; T65-V69 PolarHBondContact O-N 3.4Å | ||
| 66 | V | 76 | Confident | 64.3 | Low | 32 Ų | 32 | 108.9 Ų | 108.9 | 19% | 0.194 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -54.2 | -34.2 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | L70 R79 L86 L109 | V66-L70 HydrophobicContact CG1-CD1 4.05Å; V66-L70 WeakPolarHBondContact O-CB 3.32Å; V66-L70 WeakPolarHBondContact O-CD1 3.18Å; V66-L70 PolarHBondContact O-N 3.22Å; V66-R79 HydrophobicContact CG1-CG 4.14Å; V66-L86 HydrophobicContact CG1-CD2 3.99Å; V66-L109 HydrophobicContact CB-CD1 3.94Å; V66-L109 HydrophobicContact CG1-CD1 4.29Å; V66-L109 HydrophobicContact CG2-CD1 3.3Å |
| 67 | V | 76.3 | Confident | 66.7 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.7 | -45.3 | -175.7 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | T65 L70 A71 | T65-V67 PolarHBondContact O-N 3.35Å; T65-V67 VanDerWaalsContact O-N 3.11Å; V67-L70 PolarHBondContact O-N 3.13Å; V67-A71 PolarHBondContact O-N 3.42Å |
| 68 | D | 74.6 | Confident | 69.3 | Low | 86 Ų | 86 | 98.6 Ų | 98.6 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | -178 | -55.2 | -42.1 | 0 | 0 | 0 | 111.2 | T65 L70 A71 D72 | T65-D68 PolarHBondContact O-N 3.03Å; T65-D68 VanDerWaalsContact OG1-CG 3.26Å; T65-D68 PolarHBondContact OG1-N 3.09Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-L70 PolarHBondContact O-N 3.31Å; D68-A71 WeakPolarHBondContact O-CB 3.46Å; D68-A71 PolarHBondContact O-N 3.13Å; D68-A71 VanDerWaalsContact O-N 3.13Å; D68-D72 PolarHBondContact O-N 3.34Å |
| 69 | V | 75.8 | Confident | 71.9 | Confident | 11 Ų | 11 | 94.1 Ų | 94.1 | 7% | 0.067 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.9 | -35.8 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | R64 T65 A71 H73 L77 L86 V107 L109 | R64-V69 HydrophobicContact CB-CG2 3.83Å; T65-V69 PolarHBondContact O-N 3.4Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-H73 PolarHBondContact O-N 3.27Å; V69-H73 PolarHBondContact O-ND1 2.84Å; V69-L77 HydrophobicContact CG1-CD1 4.05Å; V69-L86 HydrophobicContact CB-CD1 4.25Å; V69-L86 HydrophobicContact CG1-CD1 3.89Å; V69-V107 HydrophobicContact CG1-CG1 4.3Å; V69-L109 HydrophobicContact CB-CD2 4.05Å; V69-L109 HydrophobicContact CG1-CD2 4.31Å; V69-L109 HydrophobicContact CG2-CD2 3.64Å |
| 70 | L | 77.1 | Confident | 74.5 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70 | -31.6 | 174 | -100.2 | 64.8 | 0 | 0 | 0 | 112.2 | V66 V67 D68 H73 A74 L86 | V66-L70 HydrophobicContact CG1-CD1 4.05Å; V66-L70 WeakPolarHBondContact O-CB 3.32Å; V66-L70 WeakPolarHBondContact O-CD1 3.18Å; V66-L70 PolarHBondContact O-N 3.22Å; V67-L70 PolarHBondContact O-N 3.13Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-L70 PolarHBondContact O-N 3.31Å; L70-H73 CarbonylContact O-C 3.38Å; L70-A74 WeakPolarHBondContact O-CA 3.4Å; L70-A74 PolarHBondContact O-N 2.96Å; L70-A74 VanDerWaalsContact O-N 3.09Å; L70-L86 HydrophobicContact CD1-CD1 3.3Å; L70-L86 HydrophobicContact CD1-CD2 3.86Å; L70-L86 HydrophobicContact CD1-CG 4.17Å |
| 71 | A | 69.9 | Low | 77.1 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.4 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V67 D68 V69 H73 | V67-A71 PolarHBondContact O-N 3.42Å; D68-A71 WeakPolarHBondContact O-CB 3.46Å; D68-A71 PolarHBondContact O-N 3.13Å; D68-A71 VanDerWaalsContact O-N 3.13Å; V69-A71 VanDerWaalsContact C-N 3.34Å; A71-H73 VanDerWaalsContact C-N 3.26Å; A71-H73 PolarHBondContact O-N 3.16Å |
| 72 | D | 70.3 | Confident | 79.2 | Confident | 131 Ų | 131 | 79.3 Ų | 79.3 | 70% | 0.701 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.4 | -28.8 | 178 | -71.7 | -16.4 | 0 | 0 | 0 | 113.1 | D68 | D68-D72 PolarHBondContact O-N 3.34Å |
| 73 | H | 75.3 | Confident | 81.2 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 37% | 0.37 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 45.3 | -178.5 | -57.9 | 81 | 0 | 0 | 0 | 111.6 | V69 L70 A71 G75 E76 L77 | V69-H73 PolarHBondContact O-N 3.27Å; V69-H73 PolarHBondContact O-ND1 2.84Å; L70-H73 CarbonylContact O-C 3.38Å; A71-H73 VanDerWaalsContact C-N 3.26Å; A71-H73 PolarHBondContact O-N 3.16Å; H73-G75 PolarHBondContact O-N 3.13Å; H73-G75 VanDerWaalsContact O-N 3.09Å; H73-E76 HydrophobicContact CB-CB 4.48Å; H73-E76 PolarHBondContact O-N 2.75Å; H73-L77 HydrophobicContact CB-CD1 3.91Å; H73-L77 HydrophobicContact CB-CG 4.09Å |
| 74 | A | 69.3 | Low | 83 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 68% | 0.678 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 117 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L70 E76 | L70-A74 WeakPolarHBondContact O-CA 3.4Å; L70-A74 PolarHBondContact O-N 2.96Å; L70-A74 VanDerWaalsContact O-N 3.09Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 3.32Å |
| 75 | G | 76.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | H73 | H73-G75 PolarHBondContact O-N 3.13Å; H73-G75 VanDerWaalsContact O-N 3.09Å |
| 76 | E | 89.9 | Confident | 85.1 | Confident | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -27.9 | 177.7 | -61.9 | -167.1 | 169.2 | 0 | 0 | 113 | H73 A74 S88 V89 | H73-E76 HydrophobicContact CB-CB 4.48Å; H73-E76 PolarHBondContact O-N 2.75Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 3.32Å; E76-S88 CarbonylContact O-C 3.59Å; E76-S88 WeakPolarHBondContact O-CA 3.4Å; E76-V89 PolarHBondContact O-N 3.27Å |
| 77 | L | 94.3 | Very high | 86.2 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.1 | -176.3 | -60.5 | 178.8 | 0 | 0 | 0 | 112.1 | V69 H73 L86 C87 V107 | V69-L77 HydrophobicContact CG1-CD1 4.05Å; H73-L77 HydrophobicContact CB-CD1 3.91Å; H73-L77 HydrophobicContact CB-CG 4.09Å; L77-L86 HydrophobicContact CD1-CD1 4.43Å; L77-C87 CarbonylContact C-O 3.56Å; L77-C87 VanDerWaalsContact CA-O 3.3Å; L77-C87 WeakPolarHBondContact CA-O 3.43Å; L77-V107 HydrophobicContact CD1-CG2 3.92Å; L77-V107 HydrophobicContact CD2-CG2 4.06Å |
| 78 | V | 95.4 | Very high | 87.2 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.4 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | L86 C87 V89 Y177 | V78-L86 WeakPolarHBondContact O-CA 3.32Å; V78-C87 PolarHBondContact N-O 3.41Å; V78-C87 PolarHBondContact O-N 3.04Å; V78-V89 HydrophobicContact CB-CG2 3.98Å; V78-V89 HydrophobicContact CG1-CG2 4.32Å; V78-Y177 HydrophobicContact CG1-CD1 4.17Å; V78-Y177 HydrophobicContact CG1-CE1 3.54Å; V78-Y177 HydrophobicContact CG1-CE2 4.28Å |
| 79 | R | 95.1 | Very high | 88.3 | Confident | 142 Ų | 142 | 55.2 Ų | 55.2 | 54% | 0.536 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.8 | 174.6 | -67.1 | -178.6 | 178.7 | -176.6 | -5.1 | 110.7 | V66 L86 | V66-R79 HydrophobicContact CG1-CG 4.14Å; R79-L86 HydrophobicContact CB-CD2 4.23Å; R79-L86 HydrophobicContact CG-CD2 3.7Å |
| 80 | T | 97.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | trans | -86.8 | -179 | 165.4 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | S82 F85 C87 I165 A175 | T80-S82 PolarHBondContact O-N 3.09Å; T80-S82 PolarHBondContact OG1-N 3.42Å; T80-S82 PolarHBondContact OG1-O 3.19Å; T80-S82 VanDerWaalsContact OG1-O 3.06Å; T80-F85 PolarHBondContact N-O 2.83Å; T80-F85 PolarHBondContact OG1-O 2.8Å; T80-C87 HydrophobicContact CG2-CB 4.39Å; T80-I165 HydrophobicContact CG2-CD1 4.14Å; T80-A175 HydrophobicContact CG2-CB 4.16Å | ||
| 81 | D | 96.9 | Very high | 90.3 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -65.6 | -19.8 | 168.3 | 69.4 | -10.4 | 0 | 0 | 0 | 113.1 | A175 T176 | D81-A175 WeakPolarHBondContact OD1-CA 3.3Å; D81-T176 VanDerWaalsContact CG-CB 3.5Å; D81-T176 VanDerWaalsContact CG-N 3.31Å; D81-T176 PolarHBondContact N-O 3.11Å; D81-T176 PolarHBondContact OD1-N 3.28Å; D81-T176 WeakPolarHBondContact OD2-CB 3.21Å; D81-T176 PolarHBondContact OD2-OG1 2.63Å |
| 82 | S | 95.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 56 Ų | 56 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -91.6 | 130.5 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | T80 N84 F85 | T80-S82 PolarHBondContact O-N 3.09Å; T80-S82 PolarHBondContact OG1-N 3.42Å; T80-S82 PolarHBondContact OG1-O 3.19Å; T80-S82 VanDerWaalsContact OG1-O 3.06Å; S82-N84 PolarHBondContact O-N 2.9Å; S82-F85 PolarHBondContact O-N 3.02Å |
| 83 | P | 93.9 | Very high | 93 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.4 | 179.7 | 29.6 | -35.9 | 0 | 0 | 0 | 113 | ||
| 84 | N | 94.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -9.9 | -174.8 | -61.6 | -29.9 | 0 | 0 | 0 | 113.3 | S82 L109 | S82-N84 PolarHBondContact O-N 2.9Å; N84-L109 PolarHBondContact O-N 3.28Å |
| 85 | F | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.4 | -173.3 | -62.2 | -73.6 | 0 | 0 | 0 | 112.6 | T80 S82 V106 V107 A108 V112 V167 Q173 A175 | T80-F85 PolarHBondContact N-O 2.83Å; T80-F85 PolarHBondContact OG1-O 2.8Å; S82-F85 PolarHBondContact O-N 3.02Å; F85-V106 HydrophobicContact CD1-CG1 4.24Å; F85-V107 WeakPolarHBondContact CA-O 3.38Å; F85-A108 HydrophobicContact CD1-CB 4.08Å; F85-A108 HydrophobicContact CE1-CB 3.78Å; F85-V112 HydrophobicContact CE1-CG2 4.14Å; F85-V112 HydrophobicContact CZ-CG2 4.29Å; F85-V167 HydrophobicContact CD1-CG2 4.16Å; F85-V167 HydrophobicContact CE1-CB 4.27Å; F85-V167 HydrophobicContact CE1-CG1 4.24Å; F85-V167 HydrophobicContact CE1-CG2 3.65Å; F85-V167 HydrophobicContact CE2-CG2 4.41Å; F85-V167 HydrophobicContact CZ-CB 4.04Å; F85-V167 HydrophobicContact CZ-CG1 4.19Å; F85-V167 HydrophobicContact CZ-CG2 3.8Å; F85-Q173 HydrophobicContact CE2-CB 3.82Å; F85-Q173 HydrophobicContact CZ-CB 4.16Å; F85-A175 HydrophobicContact CB-CB 4.03Å; F85-A175 HydrophobicContact CD2-CB 4.13Å; F85-A175 HydrophobicContact CG-CB 4.38Å |
| 86 | L | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 157.5 | 169 | -55.3 | 173.1 | 0 | 0 | 0 | 108.7 | V66 V69 L70 L77 V78 R79 V106 V107 L109 | V66-L86 HydrophobicContact CG1-CD2 3.99Å; V69-L86 HydrophobicContact CB-CD1 4.25Å; V69-L86 HydrophobicContact CG1-CD1 3.89Å; L70-L86 HydrophobicContact CD1-CD1 3.3Å; L70-L86 HydrophobicContact CD1-CD2 3.86Å; L70-L86 HydrophobicContact CD1-CG 4.17Å; L77-L86 HydrophobicContact CD1-CD1 4.43Å; V78-L86 WeakPolarHBondContact O-CA 3.32Å; R79-L86 HydrophobicContact CB-CD2 4.23Å; R79-L86 HydrophobicContact CG-CD2 3.7Å; L86-V106 CarbonylContact O-C 3.51Å; L86-V106 WeakPolarHBondContact O-CA 3.1Å; L86-V107 HydrophobicContact CB-CB 4.29Å; L86-V107 PolarHBondContact N-O 2.83Å; L86-V107 PolarHBondContact O-N 2.67Å; L86-L109 HydrophobicContact CD1-CD1 4.24Å; L86-L109 HydrophobicContact CD1-CD2 4.01Å; L86-L109 HydrophobicContact CD1-CG 4.4Å; L86-L109 HydrophobicContact CG-CD1 4.16Å; L86-L109 HydrophobicContact CG-CG 4.42Å |
| 87 | C | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 166 | 173.1 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | L77 V78 T80 F104 K105 V106 I165 Y177 | L77-C87 CarbonylContact C-O 3.56Å; L77-C87 VanDerWaalsContact CA-O 3.3Å; L77-C87 WeakPolarHBondContact CA-O 3.43Å; V78-C87 PolarHBondContact N-O 3.41Å; V78-C87 PolarHBondContact O-N 3.04Å; T80-C87 HydrophobicContact CG2-CB 4.39Å; C87-F104 HydrophobicContact CB-CE2 3.96Å; C87-F104 HydrophobicContact CB-CZ 3.71Å; C87-K105 CarbonylContact C-O 3.53Å; C87-K105 WeakPolarHBondContact CA-O 3.43Å; C87-K105 WeakPolarHBondContact CB-O 3.45Å; C87-V106 HydrophobicContact CB-CG2 4.3Å; C87-I165 HydrophobicContact CB-CD1 4.03Å; C87-Y177 WeakPolarHBondContact SG-CD1 3.41Å |
| 88 | S | 97.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 141.1 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | E76 L90 K105 | E76-S88 CarbonylContact O-C 3.59Å; E76-S88 WeakPolarHBondContact O-CA 3.4Å; S88-L90 PolarHBondContact O-N 2.98Å; S88-K105 PolarHBondContact N-O 2.89Å; S88-K105 WeakPolarHBondContact OG-CB 3.4Å; S88-K105 PolarHBondContact OG-N 3.32Å |
| 89 | V | 97.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 129.8 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 109 | E76 V78 | E76-V89 PolarHBondContact O-N 3.27Å; V78-V89 HydrophobicContact CB-CG2 3.98Å; V78-V89 HydrophobicContact CG1-CG2 4.32Å |
| 90 | L | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 150.9 | 175.5 | -71.9 | 175.2 | 0 | 0 | 0 | 111 | S88 S92 L100 F104 F151 L163 A180 I181 | S88-L90 PolarHBondContact O-N 2.98Å; L90-S92 PolarHBondContact O-N 3.3Å; L90-L100 HydrophobicContact CD2-CD1 3.64Å; L90-L100 HydrophobicContact CD2-CD2 4.13Å; L90-F104 HydrophobicContact CD1-CD2 4.3Å; L90-F104 HydrophobicContact CD1-CE2 4.09Å; L90-F104 HydrophobicContact CD2-CD2 3.72Å; L90-F104 HydrophobicContact CD2-CE2 4.29Å; L90-F104 HydrophobicContact CG-CD2 4.02Å; L90-F104 HydrophobicContact CG-CE2 4.08Å; L90-F151 HydrophobicContact CD1-CE2 4.37Å; L90-F151 HydrophobicContact CD1-CZ 3.99Å; L90-L163 HydrophobicContact CD1-CD1 3.48Å; L90-L163 VanDerWaalsContact CD1-CD1 3.48Å; L90-A180 HydrophobicContact CD1-CB 4.27Å; L90-I181 HydrophobicContact CB-CB 4.41Å; L90-I181 HydrophobicContact CB-CD1 4.42Å; L90-I181 HydrophobicContact CD1-CB 4.43Å; L90-I181 HydrophobicContact CD1-CG2 4.25Å |
| 91 | P | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 51 Ų | 51 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 137.6 | 168.7 | -22.8 | 33.4 | 0 | 0 | 0 | 110.7 | H93 W94 P101 I181 | P91-H93 PolarHBondContact O-N 2.66Å; P91-W94 HydrophobicContact CB-CE3 3.92Å; P91-W94 HydrophobicContact CG-CD2 4.37Å; P91-W94 HydrophobicContact CG-CE3 3.95Å; P91-W94 HydrophobicContact CG-CZ3 4.37Å; P91-P101 HydrophobicContact CG-CG 3.65Å; P91-I181 VanDerWaalsContact O-CG1 3.28Å; P91-I181 WeakPolarHBondContact O-CG1 3.35Å |
| 92 | S | 98 | Very high | 97.4 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.7 | -28.4 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 113 | L90 K182 | L90-S92 PolarHBondContact O-N 3.3Å; S92-K182 WeakPolarHBondContact O-CB 3.48Å; S92-K182 PolarHBondContact O-N 3.04Å |
| 93 | H | 98.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 19% | 0.185 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 131.6 | 176.3 | -176.8 | -170.8 | 0 | 0 | 0 | 109.5 | P91 K182 T184 G187 P188 | P91-H93 PolarHBondContact O-N 2.66Å; H93-K182 CarbonylContact C-O 3.6Å; H93-K182 VanDerWaalsContact CA-O 3.28Å; H93-K182 WeakPolarHBondContact CA-O 3.32Å; H93-K182 VanDerWaalsContact CD2-CE 3.48Å; H93-K182 WeakPolarHBondContact CD2-CE 3.44Å; H93-K182 PolarHBondContact CD2-O 2.88Å; H93-K182 WeakPolarHBondContact ND1-CE 3.38Å; H93-T184 PolarHBondContact NE2-OG1 3.28Å; H93-G187 PolarHBondContact CE1-O 2.8Å; H93-G187 VanDerWaalsContact NE2-C 3.33Å; H93-G187 WeakPolarHBondContact NE2-CA 3.48Å; H93-G187 PolarHBondContact NE2-O 2.8Å; H93-P188 HydrophobicContact CB-CG 4.15Å; H93-P188 VanDerWaalsContact O-CD 3.23Å; H93-P188 WeakPolarHBondContact O-CD 3.39Å; H93-P188 WeakPolarHBondContact O-CG 2.8Å |
| 94 | W | 98.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 15% | 0.148 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162 | 178.9 | -156.2 | -118.7 | 0 | 0 | 0 | 113.7 | P91 K98 T99 L100 P101 I181 K182 T184 G187 | P91-W94 HydrophobicContact CB-CE3 3.92Å; P91-W94 HydrophobicContact CG-CD2 4.37Å; P91-W94 HydrophobicContact CG-CE3 3.95Å; P91-W94 HydrophobicContact CG-CZ3 4.37Å; W94-K98 HydrophobicContact CH2-CD 4.47Å; W94-K98 HydrophobicContact CZ2-CD 3.75Å; W94-K98 HydrophobicContact CZ2-CG 4.1Å; W94-K98 PolarHBondContact NE1-O 2.78Å; W94-T99 WeakPolarHBondContact CZ2-O 3.17Å; W94-T99 PolarHBondContact NE1-O 3.44Å; W94-L100 HydrophobicContact CG-CD2 4.32Å; W94-P101 HydrophobicContact CH2-CB 4.35Å; W94-P101 HydrophobicContact CH2-CG 4.18Å; W94-P101 HydrophobicContact CZ3-CG 4.37Å; W94-I181 HydrophobicContact CB-CD1 3.72Å; W94-I181 HydrophobicContact CB-CG1 4.28Å; W94-K182 PolarHBondContact N-O 3Å; W94-T184 PolarHBondContact O-N 2.91Å; W94-T184 VanDerWaalsContact O-N 3.1Å; W94-G187 VanDerWaalsContact C-CA 3.47Å; W94-G187 WeakPolarHBondContact O-CA 3.45Å |
| 95 | R | 98.6 | Very high | 97.8 | Very high | 131 Ų | 131 | 46.4 Ų | 46.4 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 132.3 | 175.7 | 178.7 | 161.6 | -175.5 | -163.4 | -5.2 | 110 | K98 T184 V185 D186 | R95-K98 HydrophobicContact CB-CB 3.94Å; R95-K98 HydrophobicContact CB-CD 4Å; R95-K98 HydrophobicContact CG-CB 4.15Å; R95-K98 WeakPolarHBondContact O-CB 3.41Å; R95-K98 PolarHBondContact O-N 3.18Å; R95-T184 CarbonylContact C-O 3.58Å; R95-T184 WeakPolarHBondContact CA-O 3.37Å; R95-V185 WeakPolarHBondContact CD-O 3.29Å; R95-V185 VanDerWaalsContact CG-O 3.27Å; R95-V185 WeakPolarHBondContact CG-O 3.39Å; R95-V185 PolarHBondContact NE-O 3.42Å; R95-V185 VanDerWaalsContact NE-O 3.12Å; R95-D186 WeakPolarHBondContact CD-O 3.44Å |
| 96 | C | 98.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 143.8 | 176.4 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | K98 F151 V183 T184 | C96-K98 PolarHBondContact O-N 3.39Å; C96-F151 CarbonylContact C-O 3.57Å; C96-F151 WeakPolarHBondContact CA-O 3.35Å; C96-V183 HydrophobicContact CB-CG1 3.74Å; C96-T184 PolarHBondContact N-O 3.27Å |
| 97 | N | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 47 Ų | 47 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 14.7 | -178.9 | -161.3 | 21.4 | 0 | 0 | 0 | 115.1 | R133 R150 F151 V152 | N97-R133 WeakPolarHBondContact OD1-CD 3.49Å; N97-R133 PolarHBondContact OD1-NH1 2.87Å; N97-R150 WeakPolarHBondContact O-CD 3.45Å; N97-R150 PolarHBondContact O-NH1 3.2Å; N97-F151 PolarHBondContact N-O 3.3Å; N97-V152 HydrophobicContact CB-CG2 4.42Å |
| 98 | K | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 46% | 0.457 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 135.9 | 171.8 | -171 | -178.6 | 172.7 | 74.4 | 0 | 109.4 | W94 R95 C96 L100 | W94-K98 HydrophobicContact CH2-CD 4.47Å; W94-K98 HydrophobicContact CZ2-CD 3.75Å; W94-K98 HydrophobicContact CZ2-CG 4.1Å; W94-K98 PolarHBondContact NE1-O 2.78Å; R95-K98 HydrophobicContact CB-CB 3.94Å; R95-K98 HydrophobicContact CB-CD 4Å; R95-K98 HydrophobicContact CG-CB 4.15Å; R95-K98 WeakPolarHBondContact O-CB 3.41Å; R95-K98 PolarHBondContact O-N 3.18Å; C96-K98 PolarHBondContact O-N 3.39Å; K98-L100 PolarHBondContact O-N 2.81Å |
| 99 | T | 98.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 48 Ų | 48 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 135.5 | 170 | -65.1 | 0 | 0 | 0 | 0 | 110.7 | W94 D148 R150 | W94-T99 WeakPolarHBondContact CZ2-O 3.17Å; W94-T99 PolarHBondContact NE1-O 3.44Å; T99-D148 WeakPolarHBondContact CA-OD1 3.38Å; T99-D148 WeakPolarHBondContact CB-OD1 3.43Å; T99-D148 WeakPolarHBondContact CG2-OD1 3.38Å; T99-D148 PolarHBondContact OG1-OD1 3.49Å; T99-R150 VanDerWaalsContact OG1-CZ 3.26Å; T99-R150 PolarHBondContact OG1-NE 2.91Å; T99-R150 PolarHBondContact OG1-NH2 2.91Å; T99-R150 VanDerWaalsContact OG1-NH2 3.11Å |
| 100 | L | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 150.5 | 174.3 | -67.6 | 171.1 | 0 | 0 | 0 | 110.7 | L90 W94 K98 V102 F104 L149 F151 I181 | L90-L100 HydrophobicContact CD2-CD1 3.64Å; L90-L100 HydrophobicContact CD2-CD2 4.13Å; W94-L100 HydrophobicContact CG-CD2 4.32Å; K98-L100 PolarHBondContact O-N 2.81Å; L100-V102 VanDerWaalsContact CB-O 3.32Å; L100-V102 WeakPolarHBondContact CB-O 3.32Å; L100-V102 PolarHBondContact O-N 3.06Å; L100-F104 HydrophobicContact CD1-CB 4.24Å; L100-L149 HydrophobicContact CD1-CB 4.34Å; L100-F151 HydrophobicContact CD1-CE2 4.24Å; L100-F151 HydrophobicContact CD2-CD2 4.37Å; L100-F151 HydrophobicContact CD2-CE2 4.18Å; L100-I181 HydrophobicContact CD2-CD1 4.3Å |
| 101 | P | 96.8 | Very high | 97 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -65 | -30 | 178.8 | 27.2 | -33.5 | 0 | 0 | 0 | 112.1 | P91 W94 | P91-P101 HydrophobicContact CG-CG 3.65Å; W94-P101 HydrophobicContact CH2-CB 4.35Å; W94-P101 HydrophobicContact CH2-CG 4.18Å; W94-P101 HydrophobicContact CZ3-CG 4.37Å |
| 102 | V | 95.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -125.9 | 140.6 | 176.9 | -177 | 0 | 0 | 0 | 0 | 108.4 | L100 F104 | L100-V102 VanDerWaalsContact CB-O 3.32Å; L100-V102 WeakPolarHBondContact CB-O 3.32Å; L100-V102 PolarHBondContact O-N 3.06Å; V102-F104 PolarHBondContact O-N 3.33Å |
| 103 | A | 96.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 24% | 0.24 | 28% | 0.279 | C | S | . | . | trans | -63.6 | 126.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 104 | F | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | trans | -68.6 | 132.3 | 177.5 | -172.7 | -106.2 | 0 | 0 | 0 | 110.5 | C87 L90 L100 V102 V106 V120 F146 L149 L163 I165 | C87-F104 HydrophobicContact CB-CE2 3.96Å; C87-F104 HydrophobicContact CB-CZ 3.71Å; L90-F104 HydrophobicContact CD1-CD2 4.3Å; L90-F104 HydrophobicContact CD1-CE2 4.09Å; L90-F104 HydrophobicContact CD2-CD2 3.72Å; L90-F104 HydrophobicContact CD2-CE2 4.29Å; L90-F104 HydrophobicContact CG-CD2 4.02Å; L90-F104 HydrophobicContact CG-CE2 4.08Å; L100-F104 HydrophobicContact CD1-CB 4.24Å; V102-F104 PolarHBondContact O-N 3.33Å; F104-V106 HydrophobicContact CE1-CG2 3.77Å; F104-V106 HydrophobicContact CZ-CG2 4.29Å; F104-V120 HydrophobicContact CD1-CG2 4.38Å; F104-V120 HydrophobicContact CE1-CG2 3.78Å; F104-F146 HydrophobicContact CB-CB 4.36Å; F104-F146 AromaticContact CD1-CD2 3.55Å; F104-F146 HydrophobicContact CD1-CD2 3.55Å; F104-F146 AromaticContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CG 4Å; F104-F146 HydrophobicContact CE1-CD2 4.23Å; F104-F146 HydrophobicContact CE1-CE2 4.09Å; F104-F146 WeakPolarHBondContact O-CB 3.46Å; F104-F146 WeakPolarHBondContact O-CD2 3.48Å; F104-F146 PolarHBondContact O-N 3.34Å; F104-L149 HydrophobicContact CB-CB 4.36Å; F104-L149 HydrophobicContact CB-CD2 3.83Å; F104-L149 HydrophobicContact CD1-CD2 3.63Å; F104-L149 HydrophobicContact CE1-CD2 4.37Å; F104-L149 HydrophobicContact CG-CD2 3.79Å; F104-L163 HydrophobicContact CE2-CD1 4.49Å; F104-L163 HydrophobicContact CZ-CD1 4.29Å; F104-I165 HydrophobicContact CZ-CD1 4.27Å | ||
| 105 | K | 97.8 | Very high | 96.8 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.6 | 177.6 | -58.4 | 171.8 | -170.8 | 168.6 | 0 | 109.5 | C87 S88 V143 A144 R145 | C87-K105 CarbonylContact C-O 3.53Å; C87-K105 WeakPolarHBondContact CA-O 3.43Å; C87-K105 WeakPolarHBondContact CB-O 3.45Å; S88-K105 PolarHBondContact N-O 2.89Å; S88-K105 WeakPolarHBondContact OG-CB 3.4Å; S88-K105 PolarHBondContact OG-N 3.32Å; K105-V143 HydrophobicContact CB-CG1 4.1Å; K105-V143 HydrophobicContact CD-CG1 4.28Å; K105-V143 HydrophobicContact CG-CG1 4.35Å; K105-A144 CarbonylContact C-O 3.55Å; K105-A144 VanDerWaalsContact CA-O 3.32Å; K105-A144 WeakPolarHBondContact CA-O 3.32Å; K105-R145 HydrophobicContact CG-CB 4.43Å; K105-R145 HydrophobicContact CG-CG 4.23Å |
| 106 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.7 | 165.9 | 175.4 | 0 | 0 | 0 | 0 | 107.2 | F85 L86 C87 F104 V118 V143 A144 F146 I165 | F85-V106 HydrophobicContact CD1-CG1 4.24Å; L86-V106 CarbonylContact O-C 3.51Å; L86-V106 WeakPolarHBondContact O-CA 3.1Å; C87-V106 HydrophobicContact CB-CG2 4.3Å; F104-V106 HydrophobicContact CE1-CG2 3.77Å; F104-V106 HydrophobicContact CZ-CG2 4.29Å; V106-V118 HydrophobicContact CB-CG1 4.44Å; V106-V118 HydrophobicContact CG1-CG1 4.49Å; V106-V118 HydrophobicContact CG2-CG1 4.38Å; V106-V143 CarbonylContact O-C 3.58Å; V106-V143 WeakPolarHBondContact O-CA 3.21Å; V106-A144 HydrophobicContact CB-CB 4.38Å; V106-A144 PolarHBondContact N-O 3.23Å; V106-A144 PolarHBondContact O-N 2.9Å; V106-F146 HydrophobicContact CB-CE2 4.4Å; V106-F146 HydrophobicContact CG2-CE2 3.74Å; V106-F146 HydrophobicContact CG2-CZ 4.4Å; V106-I165 HydrophobicContact CG1-CG2 4.07Å; V106-I165 HydrophobicContact CG2-CD1 4.17Å; V106-I165 HydrophobicContact CG2-CG2 3.77Å |
| 107 | V | 97.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.6 | -178.3 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | V69 L77 F85 L86 A142 V143 | V69-V107 HydrophobicContact CG1-CG1 4.3Å; L77-V107 HydrophobicContact CD1-CG2 3.92Å; L77-V107 HydrophobicContact CD2-CG2 4.06Å; F85-V107 WeakPolarHBondContact CA-O 3.38Å; L86-V107 HydrophobicContact CB-CB 4.29Å; L86-V107 PolarHBondContact N-O 2.83Å; L86-V107 PolarHBondContact O-N 2.67Å; V107-A142 CarbonylContact C-O 3.39Å; V107-A142 WeakPolarHBondContact CA-O 3.48Å; V107-V143 HydrophobicContact CG1-CG2 4.31Å; V107-V143 HydrophobicContact CG2-CG1 4.34Å; V107-V143 HydrophobicContact CG2-CG2 4.14Å |
| 108 | A | 96.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F85 V112 M139 A142 | F85-A108 HydrophobicContact CD1-CB 4.08Å; F85-A108 HydrophobicContact CE1-CB 3.78Å; A108-V112 HydrophobicContact CB-CB 4.07Å; A108-V112 HydrophobicContact CB-CG2 3.65Å; A108-M139 HydrophobicContact CB-CE 4.03Å; A108-M139 HydrophobicContact CB-SD 4.49Å; A108-A142 HydrophobicContact CB-CB 4.33Å; A108-A142 PolarHBondContact N-O 3.03Å |
| 109 | L | 93.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -95.7 | -25 | 172.8 | -59.6 | 177.6 | 0 | 0 | 0 | 111.9 | V66 V69 N84 L86 | V66-L109 HydrophobicContact CB-CD1 3.94Å; V66-L109 HydrophobicContact CG1-CD1 4.29Å; V66-L109 HydrophobicContact CG2-CD1 3.3Å; V69-L109 HydrophobicContact CB-CD2 4.05Å; V69-L109 HydrophobicContact CG1-CD2 4.31Å; V69-L109 HydrophobicContact CG2-CD2 3.64Å; N84-L109 PolarHBondContact O-N 3.28Å; L86-L109 HydrophobicContact CD1-CD1 4.24Å; L86-L109 HydrophobicContact CD1-CD2 4.01Å; L86-L109 HydrophobicContact CD1-CG 4.4Å; L86-L109 HydrophobicContact CG-CD1 4.16Å; L86-L109 HydrophobicContact CG-CG 4.42Å |
| 110 | G | 89.9 | Confident | 96.8 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -88.2 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V112 | G110-V112 PolarHBondContact O-N 3.48Š|
| 111 | D | 92 | Very high | 96.9 | Very high | 142 Ų | 142 | 44.1 Ų | 44.1 | 76% | 0.759 | 27% | 0.271 | S | S | * | . | trans | -72.3 | 97.7 | 177.7 | -69.5 | -34.9 | 0 | 0 | 0 | 110.8 | ||||
| 112 | V | 96.8 | Very high | 97 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | trans | -110.4 | 122.1 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | F85 A108 G110 T116 M139 V167 T169 | F85-V112 HydrophobicContact CE1-CG2 4.14Å; F85-V112 HydrophobicContact CZ-CG2 4.29Å; A108-V112 HydrophobicContact CB-CB 4.07Å; A108-V112 HydrophobicContact CB-CG2 3.65Å; G110-V112 PolarHBondContact O-N 3.48Å; V112-T116 HydrophobicContact CG1-CG2 3.96Å; V112-M139 HydrophobicContact CB-CE 4.46Å; V112-M139 HydrophobicContact CB-CG 4.31Å; V112-M139 HydrophobicContact CG1-CB 4.35Å; V112-M139 HydrophobicContact CG1-CE 4.09Å; V112-M139 HydrophobicContact CG1-CG 3.83Å; V112-V167 HydrophobicContact CG1-CG1 4.02Å; V112-T169 HydrophobicContact CG1-CG2 3.97Å; V112-T169 HydrophobicContact CG2-CG2 4.42Å | ||
| 113 | P | 97 | Very high | 97.1 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | trans | -67.7 | 146.3 | -177.7 | 25.9 | -30.9 | 0 | 0 | 0 | 111.6 | T116 | P113-T116 WeakPolarHBondContact CG-OG1 3.34Å; P113-T116 VanDerWaalsContact O-CB 3.32Å; P113-T116 WeakPolarHBondContact O-CB 3.39Å; P113-T116 PolarHBondContact O-N 3.38Å; P113-T116 PolarHBondContact O-OG1 3.11Å | ||
| 114 | D | 97.7 | Very high | 97.2 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 146.1 | 172.1 | -78.7 | 12.4 | 0 | 0 | 0 | 111.1 | T116 M139 K140 N141 | D114-T116 VanDerWaalsContact C-N 3.29Å; D114-M139 WeakPolarHBondContact CA-O 3.46Å; D114-K140 WeakPolarHBondContact OD1-CA 3.44Å; D114-N141 PolarHBondContact OD1-N 2.69Å; D114-N141 PolarHBondContact OD2-N 2.9Å |
| 115 | G | 98.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -12 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | L117 V138 M139 | G115-L117 PolarHBondContact O-N 3.46Å; G115-V138 VanDerWaalsContact CA-CG1 3.45Å; G115-M139 PolarHBondContact N-O 2.9Å |
| 116 | T | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | trans | -61.4 | 127.4 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | V112 P113 D114 M139 V167 T169 | V112-T116 HydrophobicContact CG1-CG2 3.96Å; P113-T116 WeakPolarHBondContact CG-OG1 3.34Å; P113-T116 VanDerWaalsContact O-CB 3.32Å; P113-T116 WeakPolarHBondContact O-CB 3.39Å; P113-T116 PolarHBondContact O-N 3.38Å; P113-T116 PolarHBondContact O-OG1 3.11Å; D114-T116 VanDerWaalsContact C-N 3.29Å; T116-M139 WeakPolarHBondContact O-CB 3.31Å; T116-M139 PolarHBondContact O-N 2.88Å; T116-V167 HydrophobicContact CG2-CG1 3.86Å; T116-T169 HydrophobicContact CG2-CG2 4.12Å | ||
| 117 | L | 98.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 141.5 | 175.8 | -172.1 | 68.6 | 0 | 0 | 0 | 110.1 | G115 T119 F168 | G115-L117 PolarHBondContact O-N 3.46Å; L117-T119 HydrophobicContact CD2-CG2 4.26Å; L117-T119 HydrophobicContact CG-CG2 4.3Å; L117-F168 HydrophobicContact CB-CB 4.26Å; L117-F168 HydrophobicContact CB-CD2 4.04Å; L117-F168 HydrophobicContact CB-CG 4.38Å; L117-F168 HydrophobicContact CD2-CD2 4.18Å; L117-F168 HydrophobicContact CD2-CE2 4.31Å; L117-F168 HydrophobicContact CG-CD2 4.13Å; L117-F168 WeakPolarHBondContact O-CD2 3.06Å; L117-F168 PolarHBondContact O-N 3.12Å |
| 118 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.8 | 170.8 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | V106 S136 A137 M139 A144 F146 I165 T166 V167 | V106-V118 HydrophobicContact CB-CG1 4.44Å; V106-V118 HydrophobicContact CG1-CG1 4.49Å; V106-V118 HydrophobicContact CG2-CG1 4.38Å; V118-S136 CarbonylContact O-C 3.52Å; V118-S136 WeakPolarHBondContact O-CA 3.3Å; V118-A137 PolarHBondContact N-O 3.21Å; V118-A137 PolarHBondContact O-N 3.05Å; V118-M139 HydrophobicContact CG2-CE 3.88Å; V118-A144 HydrophobicContact CB-CB 3.91Å; V118-A144 HydrophobicContact CG1-CB 4.44Å; V118-A144 HydrophobicContact CG2-CB 3.55Å; V118-F146 HydrophobicContact CB-CZ 4.3Å; V118-F146 HydrophobicContact CG1-CE2 4.41Å; V118-F146 HydrophobicContact CG1-CZ 3.93Å; V118-I165 HydrophobicContact CG1-CG2 3.79Å; V118-T166 CarbonylContact C-O 3.57Å; V118-T166 VanDerWaalsContact CA-O 3.3Å; V118-T166 WeakPolarHBondContact CA-O 3.46Å; V118-V167 HydrophobicContact CG1-CG2 4.05Å; V118-V167 HydrophobicContact CG2-CG1 4.24Å; V118-V167 HydrophobicContact CG2-CG2 4.15Å |
| 119 | T | 98.8 | Very high | 97.2 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.7 | 174.2 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | L117 A135 I165 T166 F168 | L117-T119 HydrophobicContact CD2-CG2 4.26Å; L117-T119 HydrophobicContact CG-CG2 4.3Å; T119-A135 CarbonylContact C-O 3.54Å; T119-A135 VanDerWaalsContact CA-O 3.25Å; T119-A135 WeakPolarHBondContact CA-O 3.46Å; T119-I165 WeakPolarHBondContact O-CA 3.47Å; T119-T166 PolarHBondContact N-O 2.83Å; T119-T166 PolarHBondContact O-N 3.37Å; T119-F168 HydrophobicContact CG2-CE2 3.64Å; T119-F168 HydrophobicContact CG2-CZ 4.3Å; T119-F168 WeakPolarHBondContact OG1-CE2 3.44Å |
| 120 | V | 98.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.8 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | F104 L132 A135 F146 L163 T164 I165 | F104-V120 HydrophobicContact CD1-CG2 4.38Å; F104-V120 HydrophobicContact CE1-CG2 3.78Å; V120-L132 HydrophobicContact CG1-CD1 4.22Å; V120-L132 WeakPolarHBondContact O-CD1 3.1Å; V120-A135 PolarHBondContact N-O 2.97Å; V120-F146 HydrophobicContact CB-CE1 4.39Å; V120-F146 HydrophobicContact CG2-CD1 4.43Å; V120-F146 HydrophobicContact CG2-CE1 3.59Å; V120-F146 HydrophobicContact CG2-CE2 4.23Å; V120-F146 HydrophobicContact CG2-CZ 3.47Å; V120-F146 VanDerWaalsContact CG2-CZ 3.47Å; V120-L163 HydrophobicContact CG1-CB 4.25Å; V120-L163 HydrophobicContact CG1-CD1 4.21Å; V120-L163 HydrophobicContact CG1-CD2 4.34Å; V120-T164 CarbonylContact C-O 3.52Å; V120-T164 WeakPolarHBondContact CA-O 3.02Å; V120-I165 HydrophobicContact CG2-CG1 4.33Å |
| 121 | M | 98.8 | Very high | 97.8 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 152.5 | 163.9 | -61.5 | -175.3 | -66.1 | 0 | 0 | 108.8 | L163 T164 | M121-L163 CarbonylContact O-C 3.58Å; M121-L163 VanDerWaalsContact O-CA 3.23Å; M121-L163 WeakPolarHBondContact O-CA 3.23Å; M121-T164 HydrophobicContact CE-CG2 4.05Å; M121-T164 PolarHBondContact N-O 3.1Å; M121-T164 PolarHBondContact O-N 3.45Å |
| 122 | A | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | A130 L132 F151 F161 T162 L163 | A122-A130 HydrophobicContact CB-CB 4.29Å; A122-A130 WeakPolarHBondContact O-CB 3.23Å; A122-A130 PolarHBondContact O-N 3.25Å; A122-L132 HydrophobicContact CB-CD1 4.07Å; A122-L132 HydrophobicContact CB-CD2 3.98Å; A122-L132 HydrophobicContact CB-CG 4.37Å; A122-F151 HydrophobicContact CB-CD1 4.27Å; A122-F151 HydrophobicContact CB-CE1 4.03Å; A122-F161 HydrophobicContact CB-CB 4.13Å; A122-F161 HydrophobicContact CB-CD1 4.49Å; A122-F161 HydrophobicContact CB-CD2 4.16Å; A122-F161 HydrophobicContact CB-CG 4.04Å; A122-T162 WeakPolarHBondContact CA-O 3.33Å; A122-L163 HydrophobicContact CB-CD2 3.55Å |
| 123 | G | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 159.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N127 Y128 T162 | G123-N127 CarbonylContact C-O 3.18Å; G123-N127 VanDerWaalsContact CA-O 3.29Å; G123-N127 WeakPolarHBondContact CA-O 3.28Å; G123-Y128 WeakPolarHBondContact CA-O 3.46Å; G123-T162 PolarHBondContact N-O 2.83Å; G123-T162 PolarHBondContact O-N 3Å |
| 124 | N | 98.5 | Very high | 98.3 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -161.5 | -170.1 | 168.3 | 66.8 | 16.7 | 0 | 0 | 0 | 110.3 | E126 N127 Y128 S155 S160 F161 | N124-E126 VanDerWaalsContact C-N 3.28Å; N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 PolarHBondContact OD1-N 3.09Å; N124-N127 PolarHBondContact N-O 2.8Å; N124-N127 CarbonylContact O-C 3.01Å; N124-N127 PolarHBondContact O-N 2.84Å; N124-N127 PolarHBondContact OD1-N 2.67Å; N124-Y128 WeakPolarHBondContact O-CA 3.37Å; N124-Y128 PolarHBondContact O-N 3.33Å; N124-S155 PolarHBondContact ND2-O 3.38Å; N124-S160 PolarHBondContact ND2-O 2.87Å; N124-F161 HydrophobicContact CB-CD1 4.45Å | ||
| 125 | D | 97.6 | Very high | 98.3 | Very high | 159 Ų | 159 | 60.1 Ų | 60.1 | 85% | 0.85 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -64.6 | -26.7 | -177.4 | -48.5 | -44.5 | 0 | 0 | 0 | 114.3 | ||
| 126 | E | 96.9 | Very high | 98.4 | Very high | 107 Ų | 107 | 60.8 Ų | 60.8 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -86.9 | -31.5 | 178.5 | -67.4 | -159.9 | 164.9 | 0 | 0 | 112.8 | N124 G156 K159 | N124-E126 VanDerWaalsContact C-N 3.28Å; N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 PolarHBondContact OD1-N 3.09Å; E126-G156 WeakPolarHBondContact OE2-CA 3.27Å; E126-K159 VanDerWaalsContact CD-CD 3.46Å; E126-K159 VanDerWaalsContact CD-NZ 3.28Å; E126-K159 HydrophobicContact CG-CD 3.55Å; E126-K159 WeakPolarHBondContact OE1-CD 3.45Å; E126-K159 WeakPolarHBondContact OE1-CE 3.48Å; E126-K159 IonicContact OE1-NZ 2.73Å; E126-K159 PolarHBondContact OE1-NZ 3.39Å |
| 127 | N | 97.5 | Very high | 98.4 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | trans | -140.4 | 94.9 | -179.2 | -169.7 | -9.7 | 0 | 0 | 0 | 107.9 | G123 N124 S129 R154 F161 | G123-N127 CarbonylContact C-O 3.18Å; G123-N127 VanDerWaalsContact CA-O 3.29Å; G123-N127 WeakPolarHBondContact CA-O 3.28Å; N124-N127 PolarHBondContact N-O 2.8Å; N124-N127 CarbonylContact O-C 3.01Å; N124-N127 PolarHBondContact O-N 2.84Å; N124-N127 PolarHBondContact OD1-N 2.67Å; N127-S129 PolarHBondContact O-N 3.02Å; N127-S129 PolarHBondContact OD1-O 3.44Å; N127-R154 PolarHBondContact ND2-O 2.8Å; N127-F161 HydrophobicContact CB-CE1 4.1Å | ||
| 128 | Y | 97.8 | Very high | 98.4 | Very high | 215 Ų | 215 | 60.9 Ų | 60.9 | 84% | 0.843 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -55.6 | -40 | -173.9 | 174.6 | -102.9 | 0 | 0 | 0 | 112.3 | G123 N124 | G123-Y128 WeakPolarHBondContact CA-O 3.46Å; N124-Y128 WeakPolarHBondContact O-CA 3.37Å; N124-Y128 PolarHBondContact O-N 3.33Å |
| 129 | S | 98.1 | Very high | 98.3 | Very high | 71 Ų | 71 | 60.9 Ų | 60.9 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -144 | 101.2 | 175.5 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | N127 | N127-S129 PolarHBondContact O-N 3.02Å; N127-S129 PolarHBondContact OD1-O 3.44Å |
| 130 | A | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | trans | -76.4 | 143.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A122 L132 F161 | A122-A130 HydrophobicContact CB-CB 4.29Å; A122-A130 WeakPolarHBondContact O-CB 3.23Å; A122-A130 PolarHBondContact O-N 3.25Å; A130-L132 PolarHBondContact O-N 3.19Å; A130-F161 HydrophobicContact CB-CD1 4.46Å; A130-F161 HydrophobicContact CB-CE1 3.64Å; A130-F161 HydrophobicContact CB-CE2 3.87Å; A130-F161 HydrophobicContact CB-CZ 3.28Å | ||
| 131 | E | 98.4 | Very high | 98.1 | Very high | 125 Ų | 125 | 71.9 Ų | 71.9 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | trans | -65.3 | 129 | 173 | -172.9 | -169.5 | 160.3 | 0 | 0 | 110.8 | V152 G153 | E131-V152 HydrophobicContact CB-CB 4.06Å; E131-V152 HydrophobicContact CB-CG1 4.48Å; E131-V152 HydrophobicContact CG-CB 3.98Å; E131-V152 HydrophobicContact CG-CG1 4.32Å; E131-V152 HydrophobicContact CG-CG2 4.42Å; E131-V152 WeakPolarHBondContact O-CA 3.04Å; E131-V152 WeakPolarHBondContact O-CB 3.35Å; E131-V152 PolarHBondContact O-N 2.83Å; E131-G153 PolarHBondContact O-N 3.06Å | ||
| 132 | L | 98.8 | Very high | 98 | Very high | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.1 | 176.7 | -58.8 | 179.9 | 0 | 0 | 0 | 109.8 | V120 A122 A130 A135 R150 F151 | V120-L132 HydrophobicContact CG1-CD1 4.22Å; V120-L132 WeakPolarHBondContact O-CD1 3.1Å; A122-L132 HydrophobicContact CB-CD1 4.07Å; A122-L132 HydrophobicContact CB-CD2 3.98Å; A122-L132 HydrophobicContact CB-CG 4.37Å; A130-L132 PolarHBondContact O-N 3.19Å; L132-A135 HydrophobicContact CB-CB 3.69Å; L132-A135 HydrophobicContact CD1-CB 3.96Å; L132-A135 HydrophobicContact CG-CB 4.49Å; L132-R150 CarbonylContact C-O 3.19Å; L132-R150 WeakPolarHBondContact CA-O 3.42Å; L132-F151 HydrophobicContact CD2-CB 4.25Å; L132-F151 HydrophobicContact CD2-CD1 3.31Å; L132-F151 HydrophobicContact CD2-CE1 3.77Å; L132-F151 HydrophobicContact CD2-CG 3.97Å |
| 133 | R | 98.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.4 | 169.4 | -66.3 | 174.1 | 66.1 | -159.2 | 0.1 | 109.6 | N97 A135 L149 R150 V152 | N97-R133 WeakPolarHBondContact OD1-CD 3.49Å; N97-R133 PolarHBondContact OD1-NH1 2.87Å; R133-A135 PolarHBondContact O-N 3.22Å; R133-L149 WeakPolarHBondContact O-CD1 3.38Å; R133-R150 HydrophobicContact CB-CB 4.26Å; R133-R150 PolarHBondContact N-O 2.69Å; R133-R150 PolarHBondContact O-N 2.77Å; R133-V152 HydrophobicContact CG-CG2 3.67Å |
| 134 | N | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 70.6 Ų | 70.6 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 54.5 | 42.3 | -179.3 | -49.6 | -34 | 0 | 0 | 0 | 112.3 | S136 N147 D148 | N134-S136 PolarHBondContact O-N 2.83Å; N134-N147 WeakPolarHBondContact CB-O 3.33Å; N134-N147 PolarHBondContact ND2-O 3.06Å; N134-N147 VanDerWaalsContact ND2-O 3.09Å; N134-D148 PolarHBondContact ND2-O 2.84Å |
| 135 | A | 98.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 77.2 Ų | 77.2 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | trans | -81.7 | 14.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T119 V120 L132 R133 L149 | T119-A135 CarbonylContact C-O 3.54Å; T119-A135 VanDerWaalsContact CA-O 3.25Å; T119-A135 WeakPolarHBondContact CA-O 3.46Å; V120-A135 PolarHBondContact N-O 2.97Å; L132-A135 HydrophobicContact CB-CB 3.69Å; L132-A135 HydrophobicContact CD1-CB 3.96Å; L132-A135 HydrophobicContact CG-CB 4.49Å; R133-A135 PolarHBondContact O-N 3.22Å; A135-L149 HydrophobicContact CB-CD1 4.16Å | ||
| 136 | S | 98.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 49% | 0.49 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.6 | 179.7 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | V118 N134 | V118-S136 CarbonylContact O-C 3.52Å; V118-S136 WeakPolarHBondContact O-CA 3.3Å; N134-S136 PolarHBondContact O-N 2.83Å |
| 137 | A | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 70.5 Ų | 70.5 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 164.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | V118 A144 F146 | V118-A137 PolarHBondContact N-O 3.21Å; V118-A137 PolarHBondContact O-N 3.05Å; A137-A144 HydrophobicContact CB-CB 4.18Å; A137-F146 HydrophobicContact CB-CB 4.48Å; A137-F146 HydrophobicContact CB-CD1 3.8Å; A137-F146 HydrophobicContact CB-CD2 3.78Å; A137-F146 HydrophobicContact CB-CE1 3.81Å; A137-F146 HydrophobicContact CB-CE2 3.79Å; A137-F146 HydrophobicContact CB-CG 3.78Å; A137-F146 HydrophobicContact CB-CZ 3.8Å |
| 138 | V | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.1 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | G115 | G115-V138 VanDerWaalsContact CA-CG1 3.45Å |
| 139 | M | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.4 | 174.1 | -168.7 | 64.4 | 75 | 0 | 0 | 110 | A108 V112 D114 G115 T116 V118 V143 A144 V167 | A108-M139 HydrophobicContact CB-CE 4.03Å; A108-M139 HydrophobicContact CB-SD 4.49Å; V112-M139 HydrophobicContact CB-CE 4.46Å; V112-M139 HydrophobicContact CB-CG 4.31Å; V112-M139 HydrophobicContact CG1-CB 4.35Å; V112-M139 HydrophobicContact CG1-CE 4.09Å; V112-M139 HydrophobicContact CG1-CG 3.83Å; D114-M139 WeakPolarHBondContact CA-O 3.46Å; G115-M139 PolarHBondContact N-O 2.9Å; T116-M139 WeakPolarHBondContact O-CB 3.31Å; T116-M139 PolarHBondContact O-N 2.88Å; V118-M139 HydrophobicContact CG2-CE 3.88Å; M139-V143 PolarHBondContact SD-N 3.34Å; M139-A144 HydrophobicContact CE-CB 4.14Å; M139-A144 HydrophobicContact SD-CB 4.07Å; M139-A144 PolarHBondContact SD-N 3.35Å; M139-A144 VanDerWaalsContact SD-N 3.41Å; M139-V167 HydrophobicContact CE-CG1 4.46Å |
| 140 | K | 97.8 | Very high | 98 | Very high | 141 Ų | 141 | 59.4 Ų | 59.4 | 61% | 0.613 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 128.1 | 173 | -175.4 | 176.5 | -178.8 | 176.1 | 0 | 110 | D114 A142 V143 | D114-K140 WeakPolarHBondContact OD1-CA 3.44Å; K140-A142 PolarHBondContact O-N 2.91Å; K140-V143 PolarHBondContact N-O 3.02Å; K140-V143 PolarHBondContact O-N 2.95Å |
| 141 | N | 95.2 | Very high | 98 | Very high | 121 Ų | 121 | 59.1 Ų | 59.1 | 65% | 0.647 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47 | -175.1 | -58.7 | -28.1 | 0 | 0 | 0 | 111.9 | D114 V143 | D114-N141 PolarHBondContact OD1-N 2.69Å; D114-N141 PolarHBondContact OD2-N 2.9Å; N141-V143 PolarHBondContact O-N 2.94Å; N141-V143 VanDerWaalsContact O-N 3.13Å |
| 142 | A | 95.3 | Very high | 98 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 13.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V107 A108 K140 | V107-A142 CarbonylContact C-O 3.39Å; V107-A142 WeakPolarHBondContact CA-O 3.48Å; A108-A142 HydrophobicContact CB-CB 4.33Å; A108-A142 PolarHBondContact N-O 3.03Å; K140-A142 PolarHBondContact O-N 2.91Å |
| 143 | V | 96.8 | Very high | 98 | Very high | 49 Ų | 49 | 54 Ų | 54 | 30% | 0.297 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.8 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | K105 V106 V107 M139 K140 N141 | K105-V143 HydrophobicContact CB-CG1 4.1Å; K105-V143 HydrophobicContact CD-CG1 4.28Å; K105-V143 HydrophobicContact CG-CG1 4.35Å; V106-V143 CarbonylContact O-C 3.58Å; V106-V143 WeakPolarHBondContact O-CA 3.21Å; V107-V143 HydrophobicContact CG1-CG2 4.31Å; V107-V143 HydrophobicContact CG2-CG1 4.34Å; V107-V143 HydrophobicContact CG2-CG2 4.14Å; M139-V143 PolarHBondContact SD-N 3.34Å; K140-V143 PolarHBondContact N-O 3.02Å; K140-V143 PolarHBondContact O-N 2.95Å; N141-V143 PolarHBondContact O-N 2.94Å; N141-V143 VanDerWaalsContact O-N 3.13Å |
| 144 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 108.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | K105 V106 V118 A137 M139 F146 | K105-A144 CarbonylContact C-O 3.55Å; K105-A144 VanDerWaalsContact CA-O 3.32Å; K105-A144 WeakPolarHBondContact CA-O 3.32Å; V106-A144 HydrophobicContact CB-CB 4.38Å; V106-A144 PolarHBondContact N-O 3.23Å; V106-A144 PolarHBondContact O-N 2.9Å; V118-A144 HydrophobicContact CB-CB 3.91Å; V118-A144 HydrophobicContact CG1-CB 4.44Å; V118-A144 HydrophobicContact CG2-CB 3.55Å; A137-A144 HydrophobicContact CB-CB 4.18Å; M139-A144 HydrophobicContact CE-CB 4.14Å; M139-A144 HydrophobicContact SD-CB 4.07Å; M139-A144 PolarHBondContact SD-N 3.35Å; M139-A144 VanDerWaalsContact SD-N 3.41Å; A144-F146 HydrophobicContact CB-CE2 4.5Å |
| 145 | R | 98 | Very high | 98 | Very high | 166 Ų | 166 | 52.6 Ų | 52.6 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.5 | -180 | -176.6 | 177.9 | 179.8 | -129.8 | 2.6 | 110.4 | K105 | K105-R145 HydrophobicContact CG-CB 4.43Å; K105-R145 HydrophobicContact CG-CG 4.23Å |
| 146 | F | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | trans | -79.8 | 131 | 178.8 | -67.8 | -104.5 | 0 | 0 | 0 | 110.4 | F104 V106 V118 V120 A137 A144 D148 L149 | F104-F146 HydrophobicContact CB-CB 4.36Å; F104-F146 AromaticContact CD1-CD2 3.55Å; F104-F146 HydrophobicContact CD1-CD2 3.55Å; F104-F146 AromaticContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CG 4Å; F104-F146 HydrophobicContact CE1-CD2 4.23Å; F104-F146 HydrophobicContact CE1-CE2 4.09Å; F104-F146 WeakPolarHBondContact O-CB 3.46Å; F104-F146 WeakPolarHBondContact O-CD2 3.48Å; F104-F146 PolarHBondContact O-N 3.34Å; V106-F146 HydrophobicContact CB-CE2 4.4Å; V106-F146 HydrophobicContact CG2-CE2 3.74Å; V106-F146 HydrophobicContact CG2-CZ 4.4Å; V118-F146 HydrophobicContact CB-CZ 4.3Å; V118-F146 HydrophobicContact CG1-CE2 4.41Å; V118-F146 HydrophobicContact CG1-CZ 3.93Å; V120-F146 HydrophobicContact CB-CE1 4.39Å; V120-F146 HydrophobicContact CG2-CD1 4.43Å; V120-F146 HydrophobicContact CG2-CE1 3.59Å; V120-F146 HydrophobicContact CG2-CE2 4.23Å; V120-F146 HydrophobicContact CG2-CZ 3.47Å; V120-F146 VanDerWaalsContact CG2-CZ 3.47Å; A137-F146 HydrophobicContact CB-CB 4.48Å; A137-F146 HydrophobicContact CB-CD1 3.8Å; A137-F146 HydrophobicContact CB-CD2 3.78Å; A137-F146 HydrophobicContact CB-CE1 3.81Å; A137-F146 HydrophobicContact CB-CE2 3.79Å; A137-F146 HydrophobicContact CB-CG 3.78Å; A137-F146 HydrophobicContact CB-CZ 3.8Å; A144-F146 HydrophobicContact CB-CE2 4.5Å; F146-D148 PolarHBondContact O-N 2.85Å; F146-L149 HydrophobicContact CB-CB 3.98Å | ||
| 147 | N | 97.9 | Very high | 97.9 | Very high | 124 Ų | 124 | 60.1 Ų | 60.1 | 66% | 0.663 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -85.4 | 96.9 | 179.6 | -170.7 | -100.9 | 0 | 0 | 0 | 109.5 | N134 L149 | N134-N147 WeakPolarHBondContact CB-O 3.33Å; N134-N147 PolarHBondContact ND2-O 3.06Å; N134-N147 VanDerWaalsContact ND2-O 3.09Å; N147-L149 PolarHBondContact O-N 2.86Å |
| 148 | D | 97.8 | Very high | 97.8 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 55 | 54.7 | 177.4 | -175.2 | 41 | 0 | 0 | 0 | 112.4 | T99 N134 F146 R150 | T99-D148 WeakPolarHBondContact CA-OD1 3.38Å; T99-D148 WeakPolarHBondContact CB-OD1 3.43Å; T99-D148 WeakPolarHBondContact CG2-OD1 3.38Å; T99-D148 PolarHBondContact OG1-OD1 3.49Å; N134-D148 PolarHBondContact ND2-O 2.84Å; F146-D148 PolarHBondContact O-N 2.85Å; D148-R150 WeakPolarHBondContact O-CG 3.25Å; D148-R150 PolarHBondContact O-N 3.1Å; D148-R150 IonicContact OD1-CZ 2.78Å; D148-R150 IonicContact OD1-NE 3.98Å; D148-R150 PolarHBondContact OD1-NE 3.48Å; D148-R150 IonicContact OD1-NH2 3.76Å; D148-R150 IonicContact OD2-CZ 3.94Å; D148-R150 IonicContact OD2-NE 2.77Å; D148-R150 PolarHBondContact OD2-NE 2.89Å; D148-R150 IonicContact OD2-NH2 3.92Å; D148-R150 PolarHBondContact OD2-NH2 3.14Å |
| 149 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | trans | -56.6 | 129.2 | 170.9 | 176.1 | 62.8 | 0 | 0 | 0 | 109.8 | L100 F104 R133 A135 F146 N147 F151 | L100-L149 HydrophobicContact CD1-CB 4.34Å; F104-L149 HydrophobicContact CB-CB 4.36Å; F104-L149 HydrophobicContact CB-CD2 3.83Å; F104-L149 HydrophobicContact CD1-CD2 3.63Å; F104-L149 HydrophobicContact CE1-CD2 4.37Å; F104-L149 HydrophobicContact CG-CD2 3.79Å; R133-L149 WeakPolarHBondContact O-CD1 3.38Å; A135-L149 HydrophobicContact CB-CD1 4.16Å; F146-L149 HydrophobicContact CB-CB 3.98Å; N147-L149 PolarHBondContact O-N 2.86Å; L149-F151 HydrophobicContact CD2-CZ 4.49Å | ||
| 150 | R | 98.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.2 | 176 | -47.9 | -170.4 | -173.2 | -168.8 | 3 | 112.4 | N97 T99 L132 R133 D148 | N97-R150 WeakPolarHBondContact O-CD 3.45Å; N97-R150 PolarHBondContact O-NH1 3.2Å; T99-R150 VanDerWaalsContact OG1-CZ 3.26Å; T99-R150 PolarHBondContact OG1-NE 2.91Å; T99-R150 PolarHBondContact OG1-NH2 2.91Å; T99-R150 VanDerWaalsContact OG1-NH2 3.11Å; L132-R150 CarbonylContact C-O 3.19Å; L132-R150 WeakPolarHBondContact CA-O 3.42Å; R133-R150 HydrophobicContact CB-CB 4.26Å; R133-R150 PolarHBondContact N-O 2.69Å; R133-R150 PolarHBondContact O-N 2.77Å; D148-R150 WeakPolarHBondContact O-CG 3.25Å; D148-R150 PolarHBondContact O-N 3.1Å; D148-R150 IonicContact OD1-CZ 2.78Å; D148-R150 IonicContact OD1-NE 3.98Å; D148-R150 PolarHBondContact OD1-NE 3.48Å; D148-R150 IonicContact OD1-NH2 3.76Å; D148-R150 IonicContact OD2-CZ 3.94Å; D148-R150 IonicContact OD2-NE 2.77Å; D148-R150 PolarHBondContact OD2-NE 2.89Å; D148-R150 IonicContact OD2-NH2 3.92Å; D148-R150 PolarHBondContact OD2-NH2 3.14Å |
| 151 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 112.3 | 173.8 | -62.2 | -91.8 | 0 | 0 | 0 | 110 | L90 C96 N97 L100 A122 L132 L149 F161 L163 I181 V183 | L90-F151 HydrophobicContact CD1-CE2 4.37Å; L90-F151 HydrophobicContact CD1-CZ 3.99Å; C96-F151 CarbonylContact C-O 3.57Å; C96-F151 WeakPolarHBondContact CA-O 3.35Å; N97-F151 PolarHBondContact N-O 3.3Å; L100-F151 HydrophobicContact CD1-CE2 4.24Å; L100-F151 HydrophobicContact CD2-CD2 4.37Å; L100-F151 HydrophobicContact CD2-CE2 4.18Å; A122-F151 HydrophobicContact CB-CD1 4.27Å; A122-F151 HydrophobicContact CB-CE1 4.03Å; L132-F151 HydrophobicContact CD2-CB 4.25Å; L132-F151 HydrophobicContact CD2-CD1 3.31Å; L132-F151 HydrophobicContact CD2-CE1 3.77Å; L132-F151 HydrophobicContact CD2-CG 3.97Å; L149-F151 HydrophobicContact CD2-CZ 4.49Å; F151-F161 HydrophobicContact CD1-CD2 4.18Å; F151-L163 HydrophobicContact CE1-CD2 3.71Å; F151-L163 HydrophobicContact CZ-CD1 4.34Å; F151-L163 HydrophobicContact CZ-CD2 4.13Å; F151-I181 HydrophobicContact CD1-CG2 4.29Å; F151-I181 HydrophobicContact CD2-CD1 4.03Å; F151-I181 HydrophobicContact CE1-CG2 3.83Å; F151-I181 HydrophobicContact CE2-CD1 3.9Å; F151-I181 HydrophobicContact CE2-CG2 4.27Å; F151-I181 HydrophobicContact CZ-CD1 4.49Å; F151-I181 HydrophobicContact CZ-CG2 3.83Å; F151-V183 HydrophobicContact CB-CB 4.35Å; F151-V183 HydrophobicContact CB-CG1 3.86Å; F151-V183 HydrophobicContact CB-CG2 3.65Å; F151-V183 HydrophobicContact CD1-CG2 4.15Å; F151-V183 HydrophobicContact CD2-CG2 4.49Å; F151-V183 HydrophobicContact CG-CG2 3.85Å |
| 152 | V | 98.6 | Very high | 98 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | trans | -92.5 | -45.8 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | N97 E131 R133 | N97-V152 HydrophobicContact CB-CG2 4.42Å; E131-V152 HydrophobicContact CB-CB 4.06Å; E131-V152 HydrophobicContact CB-CG1 4.48Å; E131-V152 HydrophobicContact CG-CB 3.98Å; E131-V152 HydrophobicContact CG-CG1 4.32Å; E131-V152 HydrophobicContact CG-CG2 4.42Å; E131-V152 WeakPolarHBondContact O-CA 3.04Å; E131-V152 WeakPolarHBondContact O-CB 3.35Å; E131-V152 PolarHBondContact O-N 2.83Å; R133-V152 HydrophobicContact CG-CG2 3.67Å | ||
| 153 | G | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -62.3 | 144.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E131 F161 V183 | E131-G153 PolarHBondContact O-N 3.06Å; G153-F161 WeakPolarHBondContact O-CE2 3.28Å; G153-V183 WeakPolarHBondContact O-CG1 3.32Å |
| 154 | R | 98.5 | Very high | 98.2 | Very high | 145 Ų | 145 | 52.3 Ų | 52.3 | 55% | 0.547 | 26% | 0.259 | S | S | . | . | trans | -89.8 | 142.7 | 175.5 | -64.3 | 170.1 | 62 | -169.1 | 0.9 | 109.9 | N127 F161 V183 | N127-R154 PolarHBondContact ND2-O 2.8Å; R154-F161 WeakPolarHBondContact O-CZ 3.38Å; R154-V183 WeakPolarHBondContact CA-O 3.46Å | ||
| 155 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -88 | -12.3 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | N124 K159 F161 K182 V183 | N124-S155 PolarHBondContact ND2-O 3.38Å; S155-K159 WeakPolarHBondContact CB-O 3.44Å; S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.36Å; S155-K159 PolarHBondContact OG-O 2.75Å; S155-F161 VanDerWaalsContact CA-CE1 3.49Å; S155-K182 WeakPolarHBondContact OG-CA 3.36Å; S155-V183 PolarHBondContact N-O 2.8Å; S155-V183 PolarHBondContact OG-N 3.06Å; S155-V183 PolarHBondContact OG-O 3.42Å | ||
| 156 | G | 97.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | trans | 110 | 167.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | E126 G158 | E126-G156 WeakPolarHBondContact OE2-CA 3.27Å; G156-G158 PolarHBondContact O-N 2.92Å | ||
| 157 | R | 96.5 | Very high | 98.3 | Very high | 238 Ų | 238 | 45.3 Ų | 45.3 | 90% | 0.898 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 116.2 | 175.5 | -175.3 | 179.4 | 178.8 | 104.8 | -0.2 | 109.2 | K159 | R157-K159 PolarHBondContact O-N 2.78Š|
| 158 | G | 96.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 44 Ų | 44 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 10 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G156 | G156-G158 PolarHBondContact O-N 2.92Š|
| 159 | K | 98.3 | Very high | 98.3 | Very high | 79 Ų | 79 | 43.1 Ų | 43.1 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | trans | -113.3 | 145.7 | -177.5 | -70.1 | 178.8 | 178.4 | 176.9 | 0 | 111 | E126 S155 R157 K182 | E126-K159 VanDerWaalsContact CD-CD 3.46Å; E126-K159 VanDerWaalsContact CD-NZ 3.28Å; E126-K159 HydrophobicContact CG-CD 3.55Å; E126-K159 WeakPolarHBondContact OE1-CD 3.45Å; E126-K159 WeakPolarHBondContact OE1-CE 3.48Å; E126-K159 IonicContact OE1-NZ 2.73Å; E126-K159 PolarHBondContact OE1-NZ 3.39Å; S155-K159 WeakPolarHBondContact CB-O 3.44Å; S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.36Å; S155-K159 PolarHBondContact OG-O 2.75Å; R157-K159 PolarHBondContact O-N 2.78Å; K159-K182 VanDerWaalsContact O-CG 3.3Å; K159-K182 WeakPolarHBondContact O-CG 3.47Å | ||
| 160 | S | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -109.6 | 155.3 | 176.3 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | N124 I181 | N124-S160 PolarHBondContact ND2-O 2.87Å; S160-I181 CarbonylContact C-O 3.55Å; S160-I181 WeakPolarHBondContact CA-O 3.44Å | ||
| 161 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 147.9 | 165.7 | -71.4 | -48.4 | 0 | 0 | 0 | 111.2 | A122 N124 N127 A130 F151 G153 R154 S155 L163 R179 A180 I181 V183 | A122-F161 HydrophobicContact CB-CB 4.13Å; A122-F161 HydrophobicContact CB-CD1 4.49Å; A122-F161 HydrophobicContact CB-CD2 4.16Å; A122-F161 HydrophobicContact CB-CG 4.04Å; N124-F161 HydrophobicContact CB-CD1 4.45Å; N127-F161 HydrophobicContact CB-CE1 4.1Å; A130-F161 HydrophobicContact CB-CD1 4.46Å; A130-F161 HydrophobicContact CB-CE1 3.64Å; A130-F161 HydrophobicContact CB-CE2 3.87Å; A130-F161 HydrophobicContact CB-CZ 3.28Å; F151-F161 HydrophobicContact CD1-CD2 4.18Å; G153-F161 WeakPolarHBondContact O-CE2 3.28Å; R154-F161 WeakPolarHBondContact O-CZ 3.38Å; S155-F161 VanDerWaalsContact CA-CE1 3.49Å; F161-L163 HydrophobicContact CB-CD2 4.44Å; F161-R179 CarbonylContact O-C 3.6Å; F161-R179 WeakPolarHBondContact O-CA 3.3Å; F161-A180 PolarHBondContact O-N 2.91Å; F161-I181 HydrophobicContact CB-CG2 4.33Å; F161-I181 PolarHBondContact N-O 2.77Å; F161-V183 HydrophobicContact CD2-CB 4.35Å; F161-V183 HydrophobicContact CD2-CG2 3.85Å; F161-V183 HydrophobicContact CE2-CB 3.96Å; F161-V183 HydrophobicContact CE2-CG2 3.9Å |
| 162 | T | 98.8 | Very high | 98 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.1 | 158.2 | -67.4 | 0 | 0 | 0 | 0 | 107.5 | A122 G123 T176 Y177 R179 | A122-T162 WeakPolarHBondContact CA-O 3.33Å; G123-T162 PolarHBondContact N-O 2.83Å; G123-T162 PolarHBondContact O-N 3Å; T162-T176 HydrophobicContact CG2-CG2 3.27Å; T162-Y177 WeakPolarHBondContact CA-O 3.35Å; T162-R179 PolarHBondContact OG1-N 2.96Å |
| 163 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 137.7 | 175.6 | -51.8 | -173.6 | 0 | 0 | 0 | 110.6 | L90 F104 V120 M121 A122 F151 F161 T176 Y177 A180 | L90-L163 HydrophobicContact CD1-CD1 3.48Å; L90-L163 VanDerWaalsContact CD1-CD1 3.48Å; F104-L163 HydrophobicContact CE2-CD1 4.49Å; F104-L163 HydrophobicContact CZ-CD1 4.29Å; V120-L163 HydrophobicContact CG1-CB 4.25Å; V120-L163 HydrophobicContact CG1-CD1 4.21Å; V120-L163 HydrophobicContact CG1-CD2 4.34Å; M121-L163 CarbonylContact O-C 3.58Å; M121-L163 VanDerWaalsContact O-CA 3.23Å; M121-L163 WeakPolarHBondContact O-CA 3.23Å; A122-L163 HydrophobicContact CB-CD2 3.55Å; F151-L163 HydrophobicContact CE1-CD2 3.71Å; F151-L163 HydrophobicContact CZ-CD1 4.34Å; F151-L163 HydrophobicContact CZ-CD2 4.13Å; F161-L163 HydrophobicContact CB-CD2 4.44Å; L163-T176 CarbonylContact O-C 3.44Å; L163-T176 VanDerWaalsContact O-CA 3.27Å; L163-T176 WeakPolarHBondContact O-CA 3.46Å; L163-T176 WeakPolarHBondContact O-CG2 3.34Å; L163-Y177 PolarHBondContact N-O 2.84Å; L163-Y177 PolarHBondContact O-N 3.41Å; L163-A180 HydrophobicContact CD1-CB 4.15Å; L163-A180 HydrophobicContact CG-CB 3.89Å |
| 164 | T | 98.7 | Very high | 98 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.3 | 169.4 | -53.2 | 0 | 0 | 0 | 0 | 107.4 | V120 M121 V174 | V120-T164 CarbonylContact C-O 3.52Å; V120-T164 WeakPolarHBondContact CA-O 3.02Å; M121-T164 HydrophobicContact CE-CG2 4.05Å; M121-T164 PolarHBondContact N-O 3.1Å; M121-T164 PolarHBondContact O-N 3.45Å; T164-V174 HydrophobicContact CG2-CG1 3.54Å |
| 165 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.1 | -179.8 | -55.2 | 164.3 | 0 | 0 | 0 | 107.1 | T80 C87 F104 V106 V118 T119 V120 V174 A175 | T80-I165 HydrophobicContact CG2-CD1 4.14Å; C87-I165 HydrophobicContact CB-CD1 4.03Å; F104-I165 HydrophobicContact CZ-CD1 4.27Å; V106-I165 HydrophobicContact CG1-CG2 4.07Å; V106-I165 HydrophobicContact CG2-CD1 4.17Å; V106-I165 HydrophobicContact CG2-CG2 3.77Å; V118-I165 HydrophobicContact CG1-CG2 3.79Å; T119-I165 WeakPolarHBondContact O-CA 3.47Å; V120-I165 HydrophobicContact CG2-CG1 4.33Å; I165-V174 CarbonylContact O-C 3.48Å; I165-V174 WeakPolarHBondContact O-CA 3.44Å; I165-A175 WeakPolarHBondContact CA-O 3.27Å; I165-A175 HydrophobicContact CB-CB 4.38Å; I165-A175 WeakPolarHBondContact CB-O 3.35Å; I165-A175 PolarHBondContact N-O 2.94Å; I165-A175 PolarHBondContact O-N 2.83Å |
| 166 | T | 98.7 | Very high | 98 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.1 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | V118 T119 F168 V174 | V118-T166 CarbonylContact C-O 3.57Å; V118-T166 VanDerWaalsContact CA-O 3.3Å; V118-T166 WeakPolarHBondContact CA-O 3.46Å; T119-T166 PolarHBondContact N-O 2.83Å; T119-T166 PolarHBondContact O-N 3.37Å; T166-F168 HydrophobicContact CG2-CD2 4.19Å; T166-F168 HydrophobicContact CG2-CE1 4.2Å; T166-F168 HydrophobicContact CG2-CE2 3.78Å; T166-F168 HydrophobicContact CG2-CZ 3.8Å; T166-V174 HydrophobicContact CG2-CG2 4.43Å |
| 167 | V | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.4 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | F85 V112 T116 V118 M139 T169 Q173 | F85-V167 HydrophobicContact CD1-CG2 4.16Å; F85-V167 HydrophobicContact CE1-CB 4.27Å; F85-V167 HydrophobicContact CE1-CG1 4.24Å; F85-V167 HydrophobicContact CE1-CG2 3.65Å; F85-V167 HydrophobicContact CE2-CG2 4.41Å; F85-V167 HydrophobicContact CZ-CB 4.04Å; F85-V167 HydrophobicContact CZ-CG1 4.19Å; F85-V167 HydrophobicContact CZ-CG2 3.8Å; V112-V167 HydrophobicContact CG1-CG1 4.02Å; T116-V167 HydrophobicContact CG2-CG1 3.86Å; V118-V167 HydrophobicContact CG1-CG2 4.05Å; V118-V167 HydrophobicContact CG2-CG1 4.24Å; V118-V167 HydrophobicContact CG2-CG2 4.15Å; M139-V167 HydrophobicContact CE-CG1 4.46Å; V167-T169 HydrophobicContact CG1-CG2 4.19Å; V167-T169 PolarHBondContact O-N 2.73Å; V167-Q173 PolarHBondContact N-O 3.39Å; V167-Q173 PolarHBondContact O-N 2.9Å |
| 168 | F | 98.5 | Very high | 98.1 | Very high | 98 Ų | 98 | 48.6 Ų | 48.6 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | trans | -83.1 | 55.2 | -170.6 | -69.3 | -95.4 | 0 | 0 | 0 | 112.5 | L117 T119 T166 | L117-F168 HydrophobicContact CB-CB 4.26Å; L117-F168 HydrophobicContact CB-CD2 4.04Å; L117-F168 HydrophobicContact CB-CG 4.38Å; L117-F168 HydrophobicContact CD2-CD2 4.18Å; L117-F168 HydrophobicContact CD2-CE2 4.31Å; L117-F168 HydrophobicContact CG-CD2 4.13Å; L117-F168 WeakPolarHBondContact O-CD2 3.06Å; L117-F168 PolarHBondContact O-N 3.12Å; T119-F168 HydrophobicContact CG2-CE2 3.64Å; T119-F168 HydrophobicContact CG2-CZ 4.3Å; T119-F168 WeakPolarHBondContact OG1-CE2 3.44Å; T166-F168 HydrophobicContact CG2-CD2 4.19Å; T166-F168 HydrophobicContact CG2-CE1 4.2Å; T166-F168 HydrophobicContact CG2-CE2 3.78Å; T166-F168 HydrophobicContact CG2-CZ 3.8Å | ||
| 169 | T | 97.6 | Very high | 98.2 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | trans | -73.8 | 177.2 | 164 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | V112 T116 V167 P171 P172 Q173 | V112-T169 HydrophobicContact CG1-CG2 3.97Å; V112-T169 HydrophobicContact CG2-CG2 4.42Å; T116-T169 HydrophobicContact CG2-CG2 4.12Å; V167-T169 HydrophobicContact CG1-CG2 4.19Å; V167-T169 PolarHBondContact O-N 2.73Å; T169-P171 CarbonylContact C-O 3.57Å; T169-P171 WeakPolarHBondContact CB-O 3.39Å; T169-P171 CarbonylContact O-C 3.55Å; T169-P171 PolarHBondContact OG1-O 2.88Å; T169-P172 VanDerWaalsContact O-CA 3.31Å; T169-P172 WeakPolarHBondContact O-CA 3.47Å; T169-P172 WeakPolarHBondContact O-CD 3.34Å; T169-Q173 PolarHBondContact OG1-NE2 2.97Å | ||
| 170 | S | 95.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 51.6 Ų | 51.6 | 88% | 0.881 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -116.1 | 104 | 169.8 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 171 | P | 96.8 | Very high | 98.2 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 67% | 0.669 | 27% | 0.267 | S | S | * | . | S | Bend | cis | -74.2 | 159.6 | 0.4 | 31.8 | -35.9 | 0 | 0 | 0 | 113.6 | T169 | T169-P171 CarbonylContact C-O 3.57Å; T169-P171 WeakPolarHBondContact CB-O 3.39Å; T169-P171 CarbonylContact O-C 3.55Å; T169-P171 PolarHBondContact OG1-O 2.88Å |
| 172 | P | 97.9 | Very high | 98.2 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | trans | -62.8 | 140.9 | 175.5 | -23.6 | 34.3 | 0 | 0 | 0 | 111.7 | T169 | T169-P172 VanDerWaalsContact O-CA 3.31Å; T169-P172 WeakPolarHBondContact O-CA 3.47Å; T169-P172 WeakPolarHBondContact O-CD 3.34Å | ||
| 173 | Q | 98 | Very high | 98.2 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.5 | 177.3 | -68.1 | 175.4 | 75.9 | 0 | 0 | 109.9 | F85 V167 T169 | F85-Q173 HydrophobicContact CE2-CB 3.82Å; F85-Q173 HydrophobicContact CZ-CB 4.16Å; V167-Q173 PolarHBondContact N-O 3.39Å; V167-Q173 PolarHBondContact O-N 2.9Å; T169-Q173 PolarHBondContact OG1-NE2 2.97Å |
| 174 | V | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 52 Ų | 52 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.2 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | T164 I165 T166 | T164-V174 HydrophobicContact CG2-CG1 3.54Å; I165-V174 CarbonylContact O-C 3.48Å; I165-V174 WeakPolarHBondContact O-CA 3.44Å; T166-V174 HydrophobicContact CG2-CG2 4.43Å |
| 175 | A | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | T80 D81 F85 I165 | T80-A175 HydrophobicContact CG2-CB 4.16Å; D81-A175 WeakPolarHBondContact OD1-CA 3.3Å; F85-A175 HydrophobicContact CB-CB 4.03Å; F85-A175 HydrophobicContact CD2-CB 4.13Å; F85-A175 HydrophobicContact CG-CB 4.38Å; I165-A175 WeakPolarHBondContact CA-O 3.27Å; I165-A175 HydrophobicContact CB-CB 4.38Å; I165-A175 WeakPolarHBondContact CB-O 3.35Å; I165-A175 PolarHBondContact N-O 2.94Å; I165-A175 PolarHBondContact O-N 2.83Å |
| 176 | T | 98.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.1 | -175.4 | -43.6 | 0 | 0 | 0 | 0 | 110.3 | D81 T162 L163 H178 | D81-T176 VanDerWaalsContact CG-CB 3.5Å; D81-T176 VanDerWaalsContact CG-N 3.31Å; D81-T176 PolarHBondContact N-O 3.11Å; D81-T176 PolarHBondContact OD1-N 3.28Å; D81-T176 WeakPolarHBondContact OD2-CB 3.21Å; D81-T176 PolarHBondContact OD2-OG1 2.63Å; T162-T176 HydrophobicContact CG2-CG2 3.27Å; L163-T176 CarbonylContact O-C 3.44Å; L163-T176 VanDerWaalsContact O-CA 3.27Å; L163-T176 WeakPolarHBondContact O-CA 3.46Å; L163-T176 WeakPolarHBondContact O-CG2 3.34Å; T176-H178 VanDerWaalsContact CG2-CE1 3.45Å; T176-H178 WeakPolarHBondContact CG2-CE1 3.42Å |
| 177 | Y | 98.5 | Very high | 98 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 14% | 0.137 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 97.8 | 168.4 | -173.7 | -178.2 | 0 | 0 | 0 | 109.2 | V78 C87 T162 L163 A180 | V78-Y177 HydrophobicContact CG1-CD1 4.17Å; V78-Y177 HydrophobicContact CG1-CE1 3.54Å; V78-Y177 HydrophobicContact CG1-CE2 4.28Å; C87-Y177 WeakPolarHBondContact SG-CD1 3.41Å; T162-Y177 WeakPolarHBondContact CA-O 3.35Å; L163-Y177 PolarHBondContact N-O 2.84Å; L163-Y177 PolarHBondContact O-N 3.41Å; Y177-A180 HydrophobicContact CD1-CB 3.64Å; Y177-A180 HydrophobicContact CD2-CB 3.84Å; Y177-A180 HydrophobicContact CE1-CB 3.83Å; Y177-A180 HydrophobicContact CE2-CB 4.01Å; Y177-A180 HydrophobicContact CG-CB 3.64Å |
| 178 | H | 98.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.4 | -177.9 | -62.6 | -71.7 | 0 | 0 | 0 | 113.1 | T176 A180 | T176-H178 VanDerWaalsContact CG2-CE1 3.45Å; T176-H178 WeakPolarHBondContact CG2-CE1 3.42Å; H178-A180 PolarHBondContact O-N 2.88Å; H178-A180 VanDerWaalsContact O-N 3.1Å |
| 179 | R | 97.9 | Very high | 97.8 | Very high | 203 Ų | 203 | 61.7 Ų | 61.7 | 77% | 0.766 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 37.8 | 175.9 | -60.7 | -175.8 | -68.3 | -98.7 | -0.9 | 113 | F161 T162 I181 | F161-R179 CarbonylContact O-C 3.6Å; F161-R179 WeakPolarHBondContact O-CA 3.3Å; T162-R179 PolarHBondContact OG1-N 2.96Å; R179-I181 PolarHBondContact O-N 2.97Å |
| 180 | A | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -42.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | L90 F161 L163 Y177 H178 | L90-A180 HydrophobicContact CD1-CB 4.27Å; F161-A180 PolarHBondContact O-N 2.91Å; L163-A180 HydrophobicContact CD1-CB 4.15Å; L163-A180 HydrophobicContact CG-CB 3.89Å; Y177-A180 HydrophobicContact CD1-CB 3.64Å; Y177-A180 HydrophobicContact CD2-CB 3.84Å; Y177-A180 HydrophobicContact CE1-CB 3.83Å; Y177-A180 HydrophobicContact CE2-CB 4.01Å; Y177-A180 HydrophobicContact CG-CB 3.64Å; H178-A180 PolarHBondContact O-N 2.88Å; H178-A180 VanDerWaalsContact O-N 3.1Å |
| 181 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 133.7 | -170.5 | -176.3 | 161.5 | 0 | 0 | 0 | 112.7 | L90 P91 W94 L100 F151 S160 F161 R179 V183 | L90-I181 HydrophobicContact CB-CB 4.41Å; L90-I181 HydrophobicContact CB-CD1 4.42Å; L90-I181 HydrophobicContact CD1-CB 4.43Å; L90-I181 HydrophobicContact CD1-CG2 4.25Å; P91-I181 VanDerWaalsContact O-CG1 3.28Å; P91-I181 WeakPolarHBondContact O-CG1 3.35Å; W94-I181 HydrophobicContact CB-CD1 3.72Å; W94-I181 HydrophobicContact CB-CG1 4.28Å; L100-I181 HydrophobicContact CD2-CD1 4.3Å; F151-I181 HydrophobicContact CD1-CG2 4.29Å; F151-I181 HydrophobicContact CD2-CD1 4.03Å; F151-I181 HydrophobicContact CE1-CG2 3.83Å; F151-I181 HydrophobicContact CE2-CD1 3.9Å; F151-I181 HydrophobicContact CE2-CG2 4.27Å; F151-I181 HydrophobicContact CZ-CD1 4.49Å; F151-I181 HydrophobicContact CZ-CG2 3.83Å; S160-I181 CarbonylContact C-O 3.55Å; S160-I181 WeakPolarHBondContact CA-O 3.44Å; F161-I181 HydrophobicContact CB-CG2 4.33Å; F161-I181 PolarHBondContact N-O 2.77Å; R179-I181 PolarHBondContact O-N 2.97Å; I181-V183 HydrophobicContact CD1-CG2 4.3Å; I181-V183 HydrophobicContact CG1-CG2 3.9Å; I181-V183 HydrophobicContact CG2-CG2 4.25Å |
| 182 | K | 98.8 | Very high | 97 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.5 | 166.5 | 175 | 177.2 | 70.4 | -175.4 | 0 | 109.9 | S92 H93 W94 S155 K159 T184 | S92-K182 WeakPolarHBondContact O-CB 3.48Å; S92-K182 PolarHBondContact O-N 3.04Å; H93-K182 CarbonylContact C-O 3.6Å; H93-K182 VanDerWaalsContact CA-O 3.28Å; H93-K182 WeakPolarHBondContact CA-O 3.32Å; H93-K182 VanDerWaalsContact CD2-CE 3.48Å; H93-K182 WeakPolarHBondContact CD2-CE 3.44Å; H93-K182 PolarHBondContact CD2-O 2.88Å; H93-K182 WeakPolarHBondContact ND1-CE 3.38Å; W94-K182 PolarHBondContact N-O 3Å; S155-K182 WeakPolarHBondContact OG-CA 3.36Å; K159-K182 VanDerWaalsContact O-CG 3.3Å; K159-K182 WeakPolarHBondContact O-CG 3.47Å; K182-T184 HydrophobicContact CG-CG2 4.15Å |
| 183 | V | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.9 | -177 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | C96 F151 G153 R154 S155 F161 I181 | C96-V183 HydrophobicContact CB-CG1 3.74Å; F151-V183 HydrophobicContact CB-CB 4.35Å; F151-V183 HydrophobicContact CB-CG1 3.86Å; F151-V183 HydrophobicContact CB-CG2 3.65Å; F151-V183 HydrophobicContact CD1-CG2 4.15Å; F151-V183 HydrophobicContact CD2-CG2 4.49Å; F151-V183 HydrophobicContact CG-CG2 3.85Å; G153-V183 WeakPolarHBondContact O-CG1 3.32Å; R154-V183 WeakPolarHBondContact CA-O 3.46Å; S155-V183 PolarHBondContact N-O 2.8Å; S155-V183 PolarHBondContact OG-N 3.06Å; S155-V183 PolarHBondContact OG-O 3.42Å; F161-V183 HydrophobicContact CD2-CB 4.35Å; F161-V183 HydrophobicContact CD2-CG2 3.85Å; F161-V183 HydrophobicContact CE2-CB 3.96Å; F161-V183 HydrophobicContact CE2-CG2 3.9Å; I181-V183 HydrophobicContact CD1-CG2 4.3Å; I181-V183 HydrophobicContact CG1-CG2 3.9Å; I181-V183 HydrophobicContact CG2-CG2 4.25Å |
| 184 | T | 98.4 | Very high | 95 | Very high | 25 Ų | 25 | 85.6 Ų | 85.6 | 15% | 0.153 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 170.5 | -178.5 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | H93 W94 R95 C96 K182 D186 G187 | H93-T184 PolarHBondContact NE2-OG1 3.28Å; W94-T184 PolarHBondContact O-N 2.91Å; W94-T184 VanDerWaalsContact O-N 3.1Å; R95-T184 CarbonylContact C-O 3.58Å; R95-T184 WeakPolarHBondContact CA-O 3.37Å; C96-T184 PolarHBondContact N-O 3.27Å; K182-T184 HydrophobicContact CG-CG2 4.15Å; T184-D186 PolarHBondContact O-N 3.29Å; T184-G187 WeakPolarHBondContact OG1-CA 3.23Å; T184-G187 PolarHBondContact OG1-N 2.8Å |
| 185 | V | 98.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 92.7 Ų | 92.7 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -62.1 | -41.1 | -179.9 | 179.7 | 0 | 0 | 0 | 0 | 113.2 | R95 | R95-V185 WeakPolarHBondContact CD-O 3.29Å; R95-V185 VanDerWaalsContact CG-O 3.27Å; R95-V185 WeakPolarHBondContact CG-O 3.39Å; R95-V185 PolarHBondContact NE-O 3.42Å; R95-V185 VanDerWaalsContact NE-O 3.12Å |
| 186 | D | 96.5 | Very high | 91.8 | Very high | 80 Ų | 80 | 100.8 Ų | 100.8 | 43% | 0.428 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -89.3 | -35.6 | -177.3 | -72.9 | -3.3 | 0 | 0 | 0 | 111.5 | R95 T184 R189 | R95-D186 WeakPolarHBondContact CD-O 3.44Å; T184-D186 PolarHBondContact O-N 3.29Å; D186-R189 HydrophobicContact CB-CB 4.38Å; D186-R189 IonicContact OD1-NH1 2.67Å; D186-R189 WeakPolarHBondContact OD2-CD 3.45Å; D186-R189 IonicContact OD2-CZ 3.78Å; D186-R189 IonicContact OD2-NE 3.28Å; D186-R189 IonicContact OD2-NH1 3.14Å; D186-R189 PolarHBondContact OD2-NH1 3.3Å |
| 187 | G | 97.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 108.4 Ų | 108.4 | 4% | 0.041 | 49% | 0.486 | C | S | . | . | trans | 73.1 | -159.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H93 W94 T184 R189 | H93-G187 PolarHBondContact CE1-O 2.8Å; H93-G187 VanDerWaalsContact NE2-C 3.33Å; H93-G187 WeakPolarHBondContact NE2-CA 3.48Å; H93-G187 PolarHBondContact NE2-O 2.8Å; W94-G187 VanDerWaalsContact C-CA 3.47Å; W94-G187 WeakPolarHBondContact O-CA 3.45Å; T184-G187 WeakPolarHBondContact OG1-CA 3.23Å; T184-G187 PolarHBondContact OG1-N 2.8Å; G187-R189 PolarHBondContact O-N 2.99Å | ||
| 188 | P | 97 | Very high | 87.8 | Confident | 77 Ų | 77 | 114.3 Ų | 114.3 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -55.8 | 125.3 | 167.2 | -22.5 | 33.9 | 0 | 0 | 0 | 109.3 | H93 | H93-P188 HydrophobicContact CB-CG 4.15Å; H93-P188 VanDerWaalsContact O-CD 3.23Å; H93-P188 WeakPolarHBondContact O-CD 3.39Å; H93-P188 WeakPolarHBondContact O-CG 2.8Å |
| 189 | R | 95.4 | Very high | 86.1 | Confident | 140 Ų | 140 | 118.1 Ų | 118.1 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | trans | -140.8 | 141.7 | -176.3 | -176.7 | 178.1 | 179.3 | 169.6 | 6.5 | 109.5 | D186 G187 | D186-R189 HydrophobicContact CB-CB 4.38Å; D186-R189 IonicContact OD1-NH1 2.67Å; D186-R189 WeakPolarHBondContact OD2-CD 3.45Å; D186-R189 IonicContact OD2-CZ 3.78Å; D186-R189 IonicContact OD2-NE 3.28Å; D186-R189 IonicContact OD2-NH1 3.14Å; D186-R189 PolarHBondContact OD2-NH1 3.3Å; G187-R189 PolarHBondContact O-N 2.99Å | ||
| 190 | E | 92.4 | Very high | 83.9 | Confident | 150 Ų | 150 | 114 Ų | 114 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 145.9 | 176.8 | -64.5 | 66.5 | -139.2 | 0 | 0 | 110.7 | R192 | E190-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact O-N 3.14Å |
| 191 | P | 93.1 | Very high | 81.2 | Confident | 125 Ų | 125 | 121.2 Ų | 121.2 | 81% | 0.812 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 124 | 171.1 | -25.7 | 34.7 | 0 | 0 | 0 | 110.3 | R193 | P191-R193 PolarHBondContact O-N 3.32Š|
| 192 | R | 87.9 | Confident | 79.1 | Confident | 204 Ų | 204 | 125.9 Ų | 125.9 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 120.4 | 178 | -67.2 | -173.1 | -69.9 | 174.4 | -1.7 | 108.3 | E190 H194 | E190-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact O-N 3.14Å; R192-H194 PolarHBondContact O-N 3.35Å |
| 193 | R | 82.8 | Confident | 76.9 | Confident | 243 Ų | 243 | 132.5 Ų | 132.5 | 92% | 0.917 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.3 | 171.6 | -68.5 | -177.5 | -179.2 | -109.6 | 0.7 | 108.4 | P191 R195 | P191-R193 PolarHBondContact O-N 3.32Å; R193-R195 PolarHBondContact O-N 2.93Å |
| 194 | H | 70.9 | Confident | 74.7 | Confident | 177 Ų | 177 | 138.1 Ų | 138.1 | 82% | 0.819 | 67% | 0.667 | S | S | * | * | trans | -65.5 | 101.4 | 171.2 | -174.9 | -90.1 | 0 | 0 | 0 | 106.9 | R192 Q196 | R192-H194 PolarHBondContact O-N 3.35Å; H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 3.18Å | ||
| 195 | R | 69.6 | Low | 72.8 | Confident | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | trans | -62.4 | 99.1 | 172 | -174.1 | 167.5 | 116.2 | 165.2 | 2.1 | 105.8 | R193 K197 | R193-R195 PolarHBondContact O-N 2.93Å; R195-K197 PolarHBondContact O-N 2.93Å | ||
| 196 | Q | 60.7 | Low | 70.9 | Confident | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | trans | -52 | 111.3 | 165.3 | -170.8 | 170.7 | 0.2 | 0 | 0 | 104.6 | H194 L198 | H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 3.18Å; Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 2.85Å | ||
| 197 | K | 55.3 | Low | 69.4 | Low | 184 Ų | 184 | 148.6 Ų | 148.6 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -57.4 | 108.9 | 170.7 | -81.9 | -173.5 | 174.2 | -172.5 | 0 | 104.1 | R195 E199 | R195-K197 PolarHBondContact O-N 2.93Å; K197-E199 PolarHBondContact O-N 3.49Å | ||
| 198 | L | 58 | Low | 67.7 | Low | 158 Ų | 158 | 156.3 Ų | 156.3 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -66.5 | 89.4 | 158 | -167.7 | 143.7 | 0 | 0 | 0 | 103.8 | Q196 D200 | Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 2.85Å; L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.27Å | ||
| 199 | E | 62.8 | Low | 66.3 | Low | 184 Ų | 184 | 155.2 Ų | 155.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -60.6 | 102.3 | 154.2 | -178.5 | 170.6 | 165.3 | 0 | 0 | 104.5 | K197 | K197-E199 PolarHBondContact O-N 3.49Š| ||
| 200 | D | 50.9 | Low | 64.9 | Low | 117 Ų | 117 | 153.1 Ų | 153.1 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | -169.6 | 151.7 | 127 | -152.2 | 9.4 | 0 | 0 | 0 | 113 | L198 | L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.27Å | |||
| 201 | Q | 43 | Very low | 63.9 | Low | 156 Ų | 156 | 155.3 Ų | 155.3 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | trans | 97.6 | 88.3 | 143.7 | -131.1 | 162.6 | 96 | 0 | 0 | 118.5 | K203 | Q201-K203 PolarHBondContact O-N 3.46Š| ||
| 202 | A | 52.9 | Low | 63.1 | Low | 98 Ų | 98 | 153.6 Ų | 153.6 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -8.7 | 117.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 203 | K | 52.8 | Low | 62.6 | Low | 198 Ų | 198 | 146 Ų | 146 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -117 | 125.1 | 152.4 | -76.5 | -175.8 | 177.8 | 179.8 | 0 | 108.7 | Q201 | Q201-K203 PolarHBondContact O-N 3.46Š| ||
| 204 | P | 53.1 | Low | 62.4 | Low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -79.1 | 152.2 | 175.9 | 32.8 | -31 | 0 | 0 | 0 | 110.5 | ||||
| 205 | N | 57.7 | Low | 62.8 | Low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | 72.3 | 89.1 | 172.1 | -77.3 | -9 | 0 | 0 | 0 | 118.7 | ||||
| 206 | T | 59.6 | Low | 63.2 | Low | 83 Ų | 83 | 131.5 Ų | 131.5 | 51% | 0.509 | 67% | 0.667 | S | S | . | * | trans | -152.5 | 75.6 | 155.5 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | F208 S209 D210 | T206-F208 PolarHBondContact O-N 3.24Å; T206-S209 VanDerWaalsContact CB-CB 3.4Å; T206-S209 PolarHBondContact O-N 2.73Å; T206-S209 WeakPolarHBondContact OG1-CB 3.35Å; T206-D210 PolarHBondContact O-N 2.65Å; T206-D210 VanDerWaalsContact O-N 3.07Å | ||
| 207 | L | 63.4 | Low | 64 | Low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -51.9 | -25 | 166.7 | -73.5 | 167.5 | 0 | 0 | 0 | 112.7 | R211 | L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 2.7Å |
| 208 | F | 62.5 | Low | 64.8 | Low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.5 | -37.2 | 175 | -136.1 | -89.6 | 0 | 0 | 0 | 113.2 | T206 D210 L212 | T206-F208 PolarHBondContact O-N 3.24Å; F208-D210 VanDerWaalsContact C-N 3.31Å; F208-L212 HydrophobicContact CD1-CD1 4.13Å; F208-L212 WeakPolarHBondContact O-CG 3.08Å; F208-L212 PolarHBondContact O-N 2.81Å; F208-L212 VanDerWaalsContact O-N 3.09Å |
| 209 | S | 67.1 | Low | 65.5 | Low | 55 Ų | 55 | 132 Ų | 132 | 39% | 0.385 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.9 | -33.6 | 175.2 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | T206 L212 S213 | T206-S209 VanDerWaalsContact CB-CB 3.4Å; T206-S209 PolarHBondContact O-N 2.73Å; T206-S209 WeakPolarHBondContact OG1-CB 3.35Å; S209-L212 PolarHBondContact O-N 3.46Å; S209-S213 WeakPolarHBondContact O-CB 3.2Å; S209-S213 PolarHBondContact O-N 3.24Å; S209-S213 PolarHBondContact O-OG 2.84Å |
| 210 | D | 66.9 | Low | 65.8 | Low | 96 Ų | 96 | 129 Ų | 129 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.8 | -44.5 | 176.3 | -68 | -34.5 | 0 | 0 | 0 | 111.5 | T206 F208 L212 S213 E214 | T206-D210 PolarHBondContact O-N 2.65Å; T206-D210 VanDerWaalsContact O-N 3.07Å; F208-D210 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.41Å; D210-S213 PolarHBondContact O-N 2.89Å; D210-E214 VanDerWaalsContact O-CB 3.23Å; D210-E214 WeakPolarHBondContact O-CB 3.39Å; D210-E214 PolarHBondContact O-N 3.09Å |
| 211 | R | 71.9 | Confident | 66.6 | Low | 195 Ų | 195 | 127 Ų | 127 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 175 | -72.7 | -169 | -175.3 | -138.9 | 3.1 | 112.9 | L207 E214 L215 | L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 2.7Å; R211-E214 PolarHBondContact O-N 3.39Å; R211-L215 WeakPolarHBondContact O-CB 3.4Å; R211-L215 PolarHBondContact O-N 3.5Å |
| 212 | L | 74.8 | Confident | 67.6 | Low | 90 Ų | 90 | 122.3 Ų | 122.3 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.2 | -42.3 | 175 | -73.5 | 173.1 | 0 | 0 | 0 | 111.7 | F208 S209 D210 E214 L215 E216 | F208-L212 HydrophobicContact CD1-CD1 4.13Å; F208-L212 WeakPolarHBondContact O-CG 3.08Å; F208-L212 PolarHBondContact O-N 2.81Å; F208-L212 VanDerWaalsContact O-N 3.09Å; S209-L212 PolarHBondContact O-N 3.46Å; D210-L212 PolarHBondContact O-N 3.41Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 2.76Å; L212-L215 PolarHBondContact O-N 3.31Å; L212-E216 WeakPolarHBondContact O-CG 3.37Å; L212-E216 PolarHBondContact O-N 3.22Å |
| 213 | S | 78.8 | Confident | 68 | Low | 45 Ų | 45 | 125.7 Ų | 125.7 | 32% | 0.315 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | S209 D210 R217 | S209-S213 WeakPolarHBondContact O-CB 3.2Å; S209-S213 PolarHBondContact O-N 3.24Å; S209-S213 PolarHBondContact O-OG 2.84Å; D210-S213 PolarHBondContact O-N 2.89Å; S213-R217 WeakPolarHBondContact O-CB 3.19Å; S213-R217 WeakPolarHBondContact O-CG 3.23Å; S213-R217 PolarHBondContact O-N 3.01Å |
| 214 | E | 76.8 | Confident | 68.5 | Low | 122 Ų | 122 | 127 Ų | 127 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.5 | -41.7 | 174.7 | -169.8 | 175.8 | -166.5 | 0 | 0 | 111.7 | D210 R211 L212 E216 R217 Y218 | D210-E214 VanDerWaalsContact O-CB 3.23Å; D210-E214 WeakPolarHBondContact O-CB 3.39Å; D210-E214 PolarHBondContact O-N 3.09Å; R211-E214 PolarHBondContact O-N 3.39Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 2.76Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-E216 PolarHBondContact O-N 3.03Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 PolarHBondContact O-N 2.92Å; E214-Y218 WeakPolarHBondContact O-CB 3.28Å; E214-Y218 PolarHBondContact O-N 3.31Å |
| 215 | L | 80.1 | Confident | 68.5 | Low | 101 Ų | 101 | 126 Ų | 126 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.8 | -38.5 | 174.3 | -172.1 | 63.1 | 0 | 0 | 0 | 111.9 | R211 L212 Y218 R219 | R211-L215 WeakPolarHBondContact O-CB 3.4Å; R211-L215 PolarHBondContact O-N 3.5Å; L212-L215 PolarHBondContact O-N 3.31Å; L215-Y218 PolarHBondContact O-N 2.96Å; L215-R219 PolarHBondContact O-N 3.49Å |
| 216 | E | 77.3 | Confident | 68 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -41.6 | 171.7 | -74.1 | -179.4 | 174.1 | 0 | 0 | 111.9 | L212 E214 Y218 R219 Q220 | L212-E216 WeakPolarHBondContact O-CG 3.37Å; L212-E216 PolarHBondContact O-N 3.22Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-E216 PolarHBondContact O-N 3.03Å; E216-Y218 VanDerWaalsContact C-N 3.33Å; E216-Y218 PolarHBondContact O-N 3.22Å; E216-R219 PolarHBondContact O-N 3.36Å; E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.48Å; E216-Q220 PolarHBondContact O-N 3.43Å |
| 217 | R | 78.6 | Confident | 67.5 | Low | 159 Ų | 159 | 123.4 Ų | 123.4 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -34.9 | 172.1 | -82.2 | -162.4 | -66.8 | -147.1 | -0.8 | 112.4 | S213 E214 Q220 T221 | S213-R217 WeakPolarHBondContact O-CB 3.19Å; S213-R217 WeakPolarHBondContact O-CG 3.23Å; S213-R217 PolarHBondContact O-N 3.01Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 PolarHBondContact O-N 2.92Å; R217-Q220 PolarHBondContact O-N 3.07Å; R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 PolarHBondContact O-N 3.46Å; R217-T221 PolarHBondContact O-OG1 2.78Å |
| 218 | Y | 72.1 | Confident | 66.5 | Low | 175 Ų | 175 | 120.5 Ų | 120.5 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67 | -42.7 | 177.3 | -163.2 | -91.5 | 0 | 0 | 0 | 110.4 | E214 L215 E216 Q220 T221 A222 | E214-Y218 WeakPolarHBondContact O-CB 3.28Å; E214-Y218 PolarHBondContact O-N 3.31Å; L215-Y218 PolarHBondContact O-N 2.96Å; E216-Y218 VanDerWaalsContact C-N 3.33Å; E216-Y218 PolarHBondContact O-N 3.22Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 3.05Å; Y218-T221 PolarHBondContact O-N 3.34Å; Y218-A222 WeakPolarHBondContact O-CB 3.44Å; Y218-A222 PolarHBondContact O-N 2.74Å |
| 219 | R | 73.3 | Confident | 65.5 | Low | 188 Ų | 188 | 118.6 Ų | 118.6 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -39.6 | 172.1 | -75.8 | -178.4 | 161.3 | 174.3 | -3.7 | 112.9 | L215 E216 M223 | L215-R219 PolarHBondContact O-N 3.49Å; E216-R219 PolarHBondContact O-N 3.36Å; R219-M223 WeakPolarHBondContact O-CG 3.11Å |
| 220 | Q | 68.1 | Low | 64.3 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.1 | -36.9 | 177.9 | -69.1 | 173.2 | 31.3 | 0 | 0 | 112.7 | E216 R217 Y218 | E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.48Å; E216-Q220 PolarHBondContact O-N 3.43Å; R217-Q220 PolarHBondContact O-N 3.07Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 3.05Å |
| 221 | T | 68.1 | Low | 63 | Low | 74 Ų | 74 | 123 Ų | 123 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -76.8 | -37.4 | 179.8 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | R217 Y218 M223 R224 V225 | R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 PolarHBondContact O-N 3.46Å; R217-T221 PolarHBondContact O-OG1 2.78Å; Y218-T221 PolarHBondContact O-N 3.34Å; T221-M223 PolarHBondContact O-N 3.49Å; T221-R224 WeakPolarHBondContact O-CA 3.44Å; T221-R224 PolarHBondContact O-N 3.31Å; T221-V225 HydrophobicContact CG2-CG2 4.16Å; T221-V225 PolarHBondContact O-N 3.05Å |
| 222 | A | 63.6 | Low | 61.8 | Low | 57 Ų | 57 | 119.8 Ų | 119.8 | 47% | 0.471 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -59.3 | -29.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y218 R224 | Y218-A222 WeakPolarHBondContact O-CB 3.44Å; Y218-A222 PolarHBondContact O-N 2.74Å; A222-R224 VanDerWaalsContact C-N 3.34Å |
| 223 | M | 62 | Low | 60.3 | Low | 170 Ų | 170 | 126.7 Ų | 126.7 | 84% | 0.837 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -11 | 174.3 | -63.8 | -69.8 | -80.4 | 0 | 0 | 113.5 | R219 T221 | R219-M223 WeakPolarHBondContact O-CG 3.11Å; T221-M223 PolarHBondContact O-N 3.49Å |
| 224 | R | 62.3 | Low | 58.4 | Low | 224 Ų | 224 | 130.8 Ų | 130.8 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -17.2 | 176 | -70.6 | -171.4 | -176 | -164.2 | 2.3 | 113.6 | T221 A222 | T221-R224 WeakPolarHBondContact O-CA 3.44Å; T221-R224 PolarHBondContact O-N 3.31Å; A222-R224 VanDerWaalsContact C-N 3.34Å |
| 225 | V | 53.6 | Low | 56.4 | Low | 98 Ų | 98 | 134 Ų | 134 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | trans | -108.2 | 89.7 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | T221 | T221-V225 HydrophobicContact CG2-CG2 4.16Å; T221-V225 PolarHBondContact O-N 3.05Å | ||
| 226 | G | 47.9 | Very low | 54.5 | Low | 45 Ų | 45 | 137.1 Ų | 137.1 | 46% | 0.464 | 72% | 0.717 | S | S | . | * | trans | -62.9 | 157.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S228 | G226-S228 VanDerWaalsContact C-N 3.32Å; G226-S228 PolarHBondContact O-N 2.88Å | ||
| 227 | P | 49 | Very low | 52.6 | Low | 142 Ų | 142 | 139.1 Ų | 139.1 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -71.3 | 89.8 | -176.3 | 30.3 | -32.6 | 0 | 0 | 0 | 109.5 | ||
| 228 | S | 42.2 | Very low | 50.4 | Low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | -141.9 | 105.5 | 167.6 | 58.5 | 0 | 0 | 0 | 0 | 109.1 | G226 | G226-S228 VanDerWaalsContact C-N 3.32Å; G226-S228 PolarHBondContact O-N 2.88Å | ||
| 229 | T | 41.7 | Very low | 49.1 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | trans | 54.6 | 127.9 | 145 | 59 | 0 | 0 | 0 | 0 | 118.9 | S231 | T229-S231 PolarHBondContact O-N 2.79Š| ||
| 230 | P | 42.2 | Very low | 47.3 | Very low | 136 Ų | 136 | 130 Ų | 130 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 117.2 | 172.9 | 29 | -31.2 | 0 | 0 | 0 | 110.1 | ||
| 231 | S | 39.2 | Very low | 45.7 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 144.9 | 170.7 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | T229 | T229-S231 PolarHBondContact O-N 2.79Š|
| 232 | P | 47.2 | Very low | 44 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 160.3 | -174 | 32.6 | -33.3 | 0 | 0 | 0 | 113.4 | ||
| 233 | R | 42.2 | Very low | 42.5 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -48 | 154 | -177.5 | -75.3 | 176.5 | 177.8 | -178.4 | -1.4 | 115.5 | ||
| 234 | P | 39.7 | Very low | 41 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 132.5 | 177.4 | 31.2 | -33.8 | 0 | 0 | 0 | 112.1 | ||
| 235 | Q | 33.8 | Very low | 39.7 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 131.7 | 171 | -75.2 | -81.7 | -15.1 | 0 | 0 | 109.9 | ||
| 236 | L | 41 | Very low | 38.6 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76 | 140.2 | 178.7 | -149.3 | 80.1 | 0 | 0 | 0 | 110 | ||
| 237 | N | 36 | Very low | 37.9 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -41.9 | 131.1 | 176.7 | -75.9 | 1 | 0 | 0 | 0 | 114.5 | ||||
| 238 | A | 33.4 | Very low | 37.2 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 131.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 239 | P | 45 | Very low | 36.7 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 155.9 | 169.8 | 32.5 | -29.1 | 0 | 0 | 0 | 111.9 | ||
| 240 | S | 34.8 | Very low | 36.2 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.6 | -174.6 | 37.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 241 | H | 34.7 | Very low | 36.4 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | trans | -19.6 | 133.5 | 160.5 | -57.8 | -94.4 | 0 | 0 | 0 | 118.1 | ||||
| 242 | F | 32.5 | Very low | 35.9 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 89% | 0.886 | 82% | 0.824 | S | S | * | * | trans | -162.4 | 132.1 | 132.6 | -128.5 | -96.6 | 0 | 0 | 0 | 113 | ||||
| 243 | S | 32.7 | Very low | 35 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | 51.6 | 131.3 | 154.2 | 61.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 244 | S | 31.1 | Very low | 34.7 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -73.4 | 138.6 | 168.8 | -35.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 245 | S | 33.1 | Very low | 34.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -166.6 | 138.1 | 141.6 | 53.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 246 | A | 31.1 | Very low | 34.4 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -69.9 | 150.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 247 | Q | 33.7 | Very low | 33.9 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | -177.5 | 168.3 | 129.7 | -122.4 | 170.9 | -19.8 | 0 | 0 | 112.8 | |||||
| 248 | T | 35 | Very low | 34.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -112.9 | 165.7 | -143.1 | -26.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 249 | Q | 31.1 | Very low | 34.4 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 80.7 | 108.4 | 151.1 | -68.8 | 178.8 | 41.4 | 0 | 0 | 121.5 | ||||
| 250 | M | 30 | Very low | 33.9 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | 32 | 175.5 | 120.6 | -53.5 | -67.4 | -68.7 | 0 | 0 | 121.8 | |||||
| 251 | P | 46.4 | Very low | 33.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | -129.5 | -178.7 | -84.6 | 41 | -21.8 | 0 | 0 | 0 | 113.3 | |||||
| 252 | G | 28.9 | Very low | 34.5 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 139.4 | 110.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 253 | S | 29.5 | Very low | 34.8 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 86.5 | 125.4 | 70.1 | 76.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 254 | S | 34.6 | Very low | 34.8 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 74.4 | 142.1 | 149.6 | -65.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 255 | D | 33.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -178.9 | 169.7 | 2.8 | -107.6 | -43.6 | 0 | 0 | 0 | 108.8 | ||||
| 256 | L | 34.2 | Very low | 34.9 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 93.1 | 93.5 | 156 | -63.3 | 151.5 | 0 | 0 | 0 | 122.6 | ||||
| 257 | S | 31.7 | Very low | 35 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 34.3 | 176 | 114.2 | 70.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 258 | P | 50.1 | Low | 34.9 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -134.5 | 160 | -26 | 29.3 | -9.4 | 0 | 0 | 0 | 114.2 | ||||
| 259 | F | 29.6 | Very low | 35.1 | Very low | 213 Ų | 213 | 144.2 Ų | 144.2 | 93% | 0.934 | 76% | 0.756 | S | S | * | * | trans | -164.5 | 130.3 | 134.7 | -115.6 | -79.1 | 0 | 0 | 0 | 110.5 | ||||
| 260 | S | 33.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -96.8 | 141.7 | -172.2 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 261 | D | 35.5 | Very low | 35.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | 16.4 | 151.1 | 146 | -129.2 | -0.8 | 0 | 0 | 0 | 120.4 | R263 | D261-R263 PolarHBondContact OD1-N 2.8Š| ||
| 262 | P | 46.3 | Very low | 35.3 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | -152.9 | 144.7 | 64.1 | 36.3 | -13.7 | 0 | 0 | 0 | 117.9 | |||||
| 263 | R | 39.7 | Very low | 35.2 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | 155 | 85 | 130.6 | -84.2 | -178 | -92 | -160.1 | -1.7 | 110 | D261 | D261-R263 PolarHBondContact OD1-N 2.8Š| ||
| 264 | Q | 32.3 | Very low | 35.4 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | 54.9 | 102.3 | 84 | -64.2 | -78.3 | -51.4 | 0 | 0 | 114.7 | |||||
| 265 | F | 33.8 | Very low | 35.4 | Very low | 203 Ų | 203 | 143.9 Ų | 143.9 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | -177.2 | 79.9 | 138.7 | -98.8 | -70.9 | 0 | 0 | 0 | 105.7 | ||||
| 266 | E | 33.1 | Very low | 35.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 55% | 0.547 | 76% | 0.761 | S | S | . | * | 68 | 123.7 | 83.2 | -137 | -171.4 | -179.7 | 0 | 0 | 115 | |||||
| 267 | R | 33.5 | Very low | 35.1 | Very low | 181 Ų | 181 | 141 Ų | 141 | 68% | 0.683 | 76% | 0.759 | S | S | * | * | trans | 85.9 | 108.6 | 159.9 | -48.8 | -162.9 | -159.7 | -71.5 | -8.2 | 116.8 | ||||
| 268 | Q | 30.8 | Very low | 35.2 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | 98.5 | 112.7 | 54.4 | -177.1 | 173.2 | -1.6 | 0 | 0 | 111.4 | |||||
| 269 | F | 38.4 | Very low | 34.3 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 142.7 | 157 | -88.5 | -84.7 | 0 | 0 | 0 | 109.4 | ||||
| 270 | P | 39.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -134.5 | 145.2 | 115.4 | 29.5 | -13.3 | 0 | 0 | 0 | 110 | |||||
| 271 | G | 31.1 | Very low | 34.4 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | 100.4 | 99.9 | 69.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 272 | L | 41.7 | Very low | 34.4 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | 23.6 | 127.1 | 155.4 | -53.3 | 173.6 | 0 | 0 | 0 | 120.6 | ||||
| 273 | S | 27 | Very low | 34.4 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | 170.7 | 134.3 | 114.3 | -73 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 274 | S | 34.8 | Very low | 34.1 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 18.3 | 142.8 | 142.7 | -154.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 275 | L | 33.6 | Very low | 34.3 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 95.3 | 137.1 | 151.1 | -76.6 | 140.9 | 0 | 0 | 0 | 120.6 | ||||
| 276 | A | 30.2 | Very low | 34.4 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 89.6 | 107.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 277 | D | 30.7 | Very low | 34.7 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | 66.4 | 111.4 | 129.1 | -88.5 | -50.4 | 0 | 0 | 0 | 122.2 | |||||
| 278 | S | 33.2 | Very low | 35.4 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | 57.7 | 103.4 | 110.5 | -54.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 279 | R | 32.3 | Very low | 35.4 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -136.2 | 81.4 | 150.2 | -81.9 | -163.7 | -78.6 | -156.8 | -5.6 | 111 | ||
| 280 | F | 31.3 | Very low | 35.1 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | 165.3 | 114.6 | 113.1 | -110.5 | -93.1 | 0 | 0 | 0 | 108 | |||||
| 281 | A | 33.4 | Very low | 35.1 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 135.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 282 | D | 36.2 | Very low | 36.5 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -59.1 | 131.5 | 154.3 | -174.2 | 0.2 | 0 | 0 | 0 | 110.3 | ||||
| 283 | P | 45.6 | Very low | 36.2 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | trans | -95.9 | 114.3 | 173.5 | 33.6 | -25.9 | 0 | 0 | 0 | 112 | ||||
| 284 | R | 34.7 | Very low | 36.4 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | 103.3 | 100.1 | 137.1 | -65 | 177.6 | 162.9 | 101.9 | 0.1 | 117.7 | ||||
| 285 | V | 36.4 | Very low | 36.2 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -133.8 | 118 | 126.3 | -164.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 286 | H | 34 | Very low | 36.1 | Very low | 190 Ų | 190 | 141 Ų | 141 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -93.7 | 122.2 | 164.7 | -101.2 | 30.9 | 0 | 0 | 0 | 108.1 | ||||
| 287 | Y | 39.8 | Very low | 36 | Very low | 211 Ų | 211 | 147 Ų | 147 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -68.2 | 161.7 | 151.9 | -101.6 | -98 | 0 | 0 | 0 | 108.4 | ||||
| 288 | P | 48.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | -156.9 | 176.4 | 52.3 | 38.5 | -14.5 | 0 | 0 | 0 | 118.1 | |||||
| 289 | G | 30.3 | Very low | 35.9 | Very low | 59 Ų | 59 | 144 Ų | 144 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 119.6 | 140.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 290 | T | 32.7 | Very low | 36.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | cis | -174.2 | 118.8 | 1 | 25 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 291 | M | 38.8 | Very low | 37.1 | Very low | 181 Ų | 181 | 135 Ų | 135 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | 45.5 | 179 | 142.9 | -51.4 | -64.7 | -159.7 | 0 | 0 | 119.7 | ||||
| 292 | P | 62 | Low | 37.7 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -125.5 | -174.2 | -119.3 | 23.2 | 5.4 | 0 | 0 | 0 | 113.4 | |||||
| 293 | A | 35.5 | Very low | 37.7 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 99 | 143.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 294 | A | 29.7 | Very low | 37.5 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | 88.4 | 113.7 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 295 | F | 32 | Very low | 37.6 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | 54.6 | 118.2 | 129.9 | -65.6 | -70.9 | 0 | 0 | 0 | 122.8 | |||||
| 296 | T | 30.3 | Very low | 37.5 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 61% | 0.613 | 78% | 0.782 | S | S | * | * | 52.9 | 119.3 | 127.3 | -15.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 297 | Y | 29.8 | Very low | 37.6 | Very low | 212 Ų | 212 | 127.1 Ų | 127.1 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | 175.1 | 153.4 | 100.1 | -102.8 | -84.5 | 0 | 0 | 0 | 112.7 | |||||
| 298 | S | 31.4 | Very low | 37.2 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -34.2 | 153.7 | 170.7 | 54.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 299 | A | 30.3 | Very low | 36.8 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | 156.1 | 136.3 | 99.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 300 | T | 39.5 | Very low | 37 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 64.7 | 130.6 | 148.1 | 53 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 301 | P | 48.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 148.3 | 147.3 | 34.2 | -26.4 | 0 | 0 | 0 | 111.3 | ||
| 302 | P | 45.6 | Very low | 37.2 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 137.5 | 173.6 | 30.8 | -31.1 | 0 | 0 | 0 | 111.6 | ||
| 303 | T | 36.1 | Very low | 35.8 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93 | 141.5 | 165.4 | -173.1 | 0 | 0 | 0 | 0 | 110 | ||
| 304 | T | 43.1 | Very low | 35.8 | Very low | 147 Ų | 147 | 127 Ų | 127 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -145.6 | 99.4 | 149.2 | 25 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 305 | G | 34.9 | Very low | 36 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | 91.1 | 120.9 | 81.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 306 | I | 35.4 | Very low | 35.9 | Very low | 177 Ų | 177 | 123 Ų | 123 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | -168.6 | 142 | 53.8 | -82.9 | 158.8 | 0 | 0 | 0 | 110.1 | |||||
| 307 | G | 35.5 | Very low | 36.1 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | 86.6 | 115.2 | 153 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 308 | G | 32.7 | Very low | 36.6 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | 132.3 | 101.1 | 15.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 309 | I | 38.9 | Very low | 37 | Very low | 181 Ų | 181 | 125 Ų | 125 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | -176.3 | 121 | 137.8 | 40 | 172.7 | 0 | 0 | 0 | 109.1 | ||||
| 310 | S | 34.4 | Very low | 37.3 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -81.2 | 148.5 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 311 | M | 40.7 | Very low | 37.3 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | -165.5 | 112.1 | 125.2 | -86.9 | -47 | 164.6 | 0 | 0 | 110.1 | |||||
| 312 | S | 35.8 | Very low | 36.7 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 40.2 | 106.3 | 128.9 | -44.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 313 | S | 32.4 | Very low | 36.5 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | 88.7 | 111.8 | 70.8 | 71.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 314 | M | 34.9 | Very low | 37.4 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | 155.9 | 105.1 | 133.1 | -95.5 | -171.8 | 158.8 | 0 | 0 | 108 | ||||
| 315 | A | 33.3 | Very low | 38.1 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | 93.7 | 121 | 80.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 316 | S | 31.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 110.6 | 124.7 | 141 | 86.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 317 | T | 33.2 | Very low | 40.1 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 85 | 108.3 | 139.9 | -29.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 318 | A | 40.8 | Very low | 40.3 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -35.2 | 139.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 319 | R | 39.8 | Very low | 41.1 | Very low | 242 Ų | 242 | 148.1 Ų | 148.1 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | -161.2 | 131.2 | 118.9 | -65.5 | -151.7 | -175.3 | 155.8 | 4.2 | 109.3 | |||||
| 320 | Y | 36.9 | Very low | 40.9 | Very low | 213 Ų | 213 | 143.2 Ų | 143.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -57.5 | 141.3 | 162.6 | -70 | -93.2 | 0 | 0 | 0 | 109.8 | ||||
| 321 | H | 40.1 | Very low | 41 | Very low | 181 Ų | 181 | 144 Ų | 144 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -172.9 | 134.9 | 133.1 | -84.9 | -53 | 0 | 0 | 0 | 111.8 | ||||
| 322 | T | 35.5 | Very low | 41 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -54.9 | 133.2 | 172.8 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 323 | Y | 40.1 | Very low | 41 | Very low | 226 Ų | 226 | 144 Ų | 144 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | -75.2 | 122.9 | 171.5 | -76.3 | -89.6 | 0 | 0 | 0 | 111.2 | ||||
| 324 | L | 56.3 | Low | 41.1 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -108.9 | 144.7 | 152.9 | -105.3 | 87.6 | 0 | 0 | 0 | 108.8 | ||||
| 325 | P | 57.7 | Low | 41.1 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 153 | 175.1 | 30.5 | -32.9 | 0 | 0 | 0 | 112.7 | ||
| 326 | P | 58.5 | Low | 41.2 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 156.3 | -177.5 | 32.5 | -34 | 0 | 0 | 0 | 112.9 | ||
| 327 | P | 53 | Low | 41.3 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 149.7 | 176.4 | 33.9 | -31.5 | 0 | 0 | 0 | 111.9 | ||
| 328 | Y | 39.9 | Very low | 41.6 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 147.4 | 175.4 | -79.2 | -90.5 | 0 | 0 | 0 | 112.3 | ||
| 329 | P | 49.2 | Very low | 41.2 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79 | 132.6 | 176.5 | 31.1 | -31.1 | 0 | 0 | 0 | 111.6 | ||
| 330 | G | 35.8 | Very low | 41 | Very low | 78 Ų | 78 | 147 Ų | 147 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 142.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 331 | S | 36.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 121.6 | 168.4 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 332 | A | 39.9 | Very low | 40.3 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 130.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 333 | Q | 35.8 | Very low | 40.1 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | trans | -159.9 | 111.9 | 140 | -151.5 | 133.8 | -18.3 | 0 | 0 | 113 | ||||
| 334 | N | 33.7 | Very low | 39.7 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 67% | 0.668 | 82% | 0.823 | S | S | * | * | trans | 88.9 | 128.9 | 134.6 | -101.5 | -11.7 | 0 | 0 | 0 | 124.2 | ||||
| 335 | Q | 35.9 | Very low | 39.6 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 83.5 | 96.1 | 141.9 | -70.4 | -177.3 | 35.6 | 0 | 0 | 119.9 | ||||
| 336 | G | 34.2 | Very low | 38.4 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | 77.4 | 117.5 | 103.5 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 337 | G | 33.5 | Very low | 37.3 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 151.1 | 101.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 338 | T | 39.6 | Very low | 36.9 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -74.2 | 133 | 165.5 | 16.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 339 | F | 34 | Very low | 36.6 | Very low | 218 Ų | 218 | 136.5 Ų | 136.5 | 96% | 0.956 | 82% | 0.819 | S | S | * | * | trans | -153.5 | 137.6 | 145 | -107.9 | -78.3 | 0 | 0 | 0 | 111.7 | ||||
| 340 | Q | 35 | Very low | 36 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -90.1 | 161.6 | 177.8 | -97.6 | -161.5 | -29.2 | 0 | 0 | 112.5 | ||||
| 341 | A | 31.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 103.8 | 124 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 342 | G | 30.5 | Very low | 35.7 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 155.9 | 76.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 343 | A | 31.6 | Very low | 35.6 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | 29.8 | 122 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 344 | S | 32.3 | Very low | 35.8 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -63 | -176.1 | 153.4 | -106.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 345 | P | 52.2 | Low | 35.8 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 57% | 0.565 | 83% | 0.826 | S | S | * | * | cis | -141.3 | 164.4 | -23.5 | 33.3 | -13.9 | 0 | 0 | 0 | 113.9 | ||||
| 346 | Y | 34 | Very low | 35.8 | Very low | 244 Ų | 244 | 133.5 Ų | 133.5 | 96% | 0.957 | 83% | 0.825 | S | S | * | * | trans | -141.5 | 138.4 | 140.3 | -99.7 | -78 | 0 | 0 | 0 | 111 | ||||
| 347 | H | 35.6 | Very low | 35.7 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | -79 | 150.3 | -157.4 | -94.9 | -119.7 | 0 | 0 | 0 | 115.9 | ||||
| 348 | L | 44.8 | Very low | 35.7 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -43 | 153.2 | 155.1 | -74.2 | 143.3 | 0 | 0 | 0 | 114.9 | ||||
| 349 | Y | 32.2 | Very low | 35.2 | Very low | 224 Ų | 224 | 148.3 Ų | 148.3 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -139.5 | 136 | 132.6 | -112.3 | -87.3 | 0 | 0 | 0 | 112.6 | ||||
| 350 | Y | 36.3 | Very low | 35.1 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | trans | -43.4 | 165 | -179.4 | -74.4 | -98.2 | 0 | 0 | 0 | 117.5 | ||||
| 351 | G | 31.8 | Very low | 35.2 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | cis | 177.8 | 171.2 | 13.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 352 | T | 35.8 | Very low | 35.5 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -77.6 | 140.2 | 173.7 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 353 | S | 37.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -131.8 | 120.3 | 156.4 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 354 | A | 40.4 | Very low | 35.6 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 154 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | G | 34 | Very low | 35.7 | Very low | 78 Ų | 78 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -171.1 | 87.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 356 | S | 36 | Very low | 34.9 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | -72.6 | 127.3 | 174.1 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 357 | Y | 32.5 | Very low | 35.2 | Very low | 230 Ų | 230 | 149.1 Ų | 149.1 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -141.4 | 132.1 | 153.9 | -89.6 | -80.1 | 0 | 0 | 0 | 111.8 | ||||
| 358 | Q | 31.5 | Very low | 35.5 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -81.6 | 138.7 | -175.4 | -131.2 | 175.9 | -70.6 | 0 | 0 | 110.9 | ||||
| 359 | F | 30.1 | Very low | 35.1 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.873 | 83% | 0.832 | S | S | * | * | trans | -83.2 | 139.1 | 164.9 | -43.7 | -86.2 | 0 | 0 | 0 | 109.1 | ||||
| 360 | S | 31.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -128.2 | 129.7 | 164.9 | -146.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 361 | M | 38.4 | Very low | 35.3 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -81.2 | 139.3 | -179.7 | -57.4 | -152.4 | -115.6 | 0 | 0 | 110.5 | ||||
| 362 | V | 36.5 | Very low | 35.7 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -139.3 | 115.9 | 153.7 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 363 | A | 32.5 | Very low | 35.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -80.3 | 144.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 364 | G | 32.3 | Very low | 35.6 | Very low | 64 Ų | 64 | 145 Ų | 145 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | trans | 166.7 | 84.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 365 | E | 34.8 | Very low | 35 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | 46.1 | 102 | 129.5 | -53.6 | -81.4 | 144.5 | 0 | 0 | 118.1 | |||||
| 366 | R | 35.8 | Very low | 35 | Very low | 246 Ų | 246 | 148.5 Ų | 148.5 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -136.2 | 100.6 | 155.2 | -79.5 | -170.2 | 178.3 | -133.1 | -0.3 | 111.1 | ||||
| 367 | S | 38.9 | Very low | 34.8 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -88.2 | 148.2 | 146.8 | -69.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 368 | P | 43.7 | Very low | 34.8 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -130.4 | 132.8 | 131.4 | 33.8 | -22.8 | 0 | 0 | 0 | 112.5 | ||||
| 369 | T | 34.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -72.7 | 132.5 | 174 | -43 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 370 | R | 39.6 | Very low | 35 | Very low | 204 Ų | 204 | 136.5 Ų | 136.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 40.5 | 109.4 | 137.1 | -154.5 | -177.2 | -162.5 | -131.6 | 4.6 | 118.4 | ||||
| 371 | M | 34 | Very low | 35 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -147.8 | 115.3 | 141.3 | -85.1 | -72.8 | 95.6 | 0 | 0 | 109.7 | ||||
| 372 | L | 40.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 132 Ų | 132 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 159.8 | 159.8 | -81.2 | 144.7 | 0 | 0 | 0 | 109.3 | ||||
| 373 | P | 38.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | -126.1 | 123.4 | 125.2 | 26.4 | -13.1 | 0 | 0 | 0 | 111.4 | |||||
| 374 | S | 31.5 | Very low | 34.9 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | -88.7 | 152.8 | 158.7 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 375 | C | 29.3 | Very low | 35 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | 68.7 | 140.4 | 167.1 | 78.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 376 | T | 32.5 | Very low | 35.1 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | cis | -143.5 | 140.5 | 34.6 | 23.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 377 | S | 31.6 | Very low | 35.8 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 140.2 | 165.9 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 378 | A | 32.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 130 Ų | 130 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -105.9 | 129.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 379 | S | 32.4 | Very low | 34.9 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -82.7 | 148.2 | -164.9 | -36.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 380 | S | 33.7 | Very low | 34.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 92% | 0.923 | 79% | 0.793 | S | S | * | * | trans | -171.8 | 120.8 | 142.4 | -77.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 381 | G | 31.1 | Very low | 34.3 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 146.2 | 61.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 382 | S | 32.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -63.5 | 133.5 | 174.6 | 42.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 383 | S | 35.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -123.3 | 132.5 | 161 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 384 | L | 37.3 | Very low | 33.7 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | 177.5 | 148.6 | 137.7 | -93.5 | 168.9 | 0 | 0 | 0 | 111.5 | ||||
| 385 | M | 34 | Very low | 33.7 | Very low | 165 Ų | 165 | 124 Ų | 124 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 103.7 | 107.4 | 159.9 | -53.6 | -54 | 172.8 | 0 | 0 | 118.3 | ||||
| 386 | N | 37.8 | Very low | 34.2 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -90.2 | 151.7 | 152.6 | -162.2 | 17.1 | 0 | 0 | 0 | 107.6 | ||||
| 387 | P | 48.9 | Very low | 34.6 | Very low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | -156.9 | 152.3 | 87 | 37.1 | -16.6 | 0 | 0 | 0 | 116.8 | |||||
| 388 | N | 29.8 | Very low | 35.7 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 165.8 | 146.3 | 121.8 | -94.8 | -49.9 | 0 | 0 | 0 | 115.4 | |||||
| 389 | L | 34.8 | Very low | 35.7 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | 70.4 | 143.7 | 162.5 | -63.2 | 139.8 | 0 | 0 | 0 | 117.8 | ||||
| 390 | A | 30.3 | Very low | 35.7 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -173.8 | 158.7 | -19.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 391 | N | 31.4 | Very low | 35.9 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 78.7 | 109.1 | 152.2 | -98 | 6 | 0 | 0 | 0 | 121.8 | ||||
| 392 | Q | 33.9 | Very low | 36.2 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | 88.2 | 124.8 | 113.8 | -80.9 | -170.1 | 60.3 | 0 | 0 | 122 | |||||
| 393 | N | 32.4 | Very low | 36.3 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 64.3 | 151.7 | 136.4 | -73.3 | 14.6 | 0 | 0 | 0 | 118.1 | ||||
| 394 | D | 33.5 | Very low | 36.2 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | cis | 179.5 | 158.8 | -15.7 | -165.6 | -61.9 | 0 | 0 | 0 | 102.7 | ||||
| 395 | G | 33 | Very low | 36.1 | Very low | 58 Ų | 58 | 128.3 Ų | 128.3 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | 87.6 | 104.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 396 | V | 38.3 | Very low | 36.5 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | 93 | 103.9 | 74.2 | 165.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 397 | D | 41.8 | Very low | 36.5 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 64.8 | 153 | 138 | -69.5 | -53.3 | 0 | 0 | 0 | 125.5 | ||||
| 398 | P | 53.8 | Low | 35.7 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -112.6 | 152.6 | -160.1 | 40 | -26.9 | 0 | 0 | 0 | 113.8 | ||||
| 399 | N | 33.5 | Very low | 35.9 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | 176.5 | 149.9 | 143.3 | -114.8 | -24.9 | 0 | 0 | 0 | 111 | ||||
| 400 | G | 31.8 | Very low | 35.8 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | 152.6 | 70.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 401 | S | 38.6 | Very low | 36.2 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -49.1 | 138.6 | 157.1 | -50 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 402 | Q | 36.4 | Very low | 36.3 | Very low | 193 Ų | 193 | 125.2 Ų | 125.2 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -169.7 | 126.8 | 135 | -104.3 | 165.1 | 57 | 0 | 0 | 112.8 | ||||
| 403 | S | 36.5 | Very low | 36.7 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -52 | 150.1 | 163.9 | 42.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 404 | N | 32.5 | Very low | 37.2 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 178.9 | 117.9 | 120.7 | -87.9 | -20 | 0 | 0 | 0 | 111.3 | |||||
| 405 | S | 34.2 | Very low | 37.6 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 156.3 | 150.8 | -60 | 0 | 0 | 0 | 0 | 109 | ||||
| 406 | P | 43.6 | Very low | 37.9 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -136 | 142.9 | 115.7 | 34.7 | -22.8 | 0 | 0 | 0 | 113.3 | |||||
| 407 | T | 37.1 | Very low | 38.4 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -84.3 | 137.1 | 163.9 | -21 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 408 | L | 33.3 | Very low | 38.4 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -172.7 | 116.7 | 132.9 | -117.2 | 108.6 | 0 | 0 | 0 | 111.2 | ||||
| 409 | T | 33.5 | Very low | 37.7 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | 35.7 | 123.3 | 136.9 | 66.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 410 | T | 32.5 | Very low | 38.4 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | -168.6 | 133.6 | 121 | -82.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 411 | T | 37.9 | Very low | 39.4 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -57.8 | 130.9 | 167.4 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 412 | G | 34.7 | Very low | 39.8 | Very low | 74 Ų | 74 | 152.1 Ų | 152.1 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -175.6 | 96 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L414 | G412-L414 PolarHBondContact O-N 3.2Š| ||
| 413 | R | 40.9 | Very low | 40 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -49.8 | 124.2 | 157 | -88.3 | 177.4 | 161.3 | 162.4 | -5.2 | 109 | ||||
| 414 | L | 44.2 | Very low | 40.2 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -150.5 | 125.2 | 141.6 | -72.2 | -178 | 0 | 0 | 0 | 108.4 | G412 | G412-L414 PolarHBondContact O-N 3.2Š| ||
| 415 | D | 41.8 | Very low | 40.6 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -62.2 | 128 | 167.6 | -174.2 | -89 | 0 | 0 | 0 | 109.2 | ||||
| 416 | E | 39.3 | Very low | 41 | Very low | 168 Ų | 168 | 155.6 Ų | 155.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -151.5 | 102.5 | 152.9 | -145.3 | 172.4 | 101.4 | 0 | 0 | 111 | V418 | E416-V418 HydrophobicContact CB-CG2 4.44Å; E416-V418 HydrophobicContact CG-CG2 3.83Å; E416-V418 PolarHBondContact O-N 3.43Å; E416-V418 VanDerWaalsContact OE1-CG2 3.32Å; E416-V418 WeakPolarHBondContact OE1-CG2 3.45Å | ||
| 417 | S | 47.8 | Very low | 40.8 | Very low | 107 Ų | 107 | 157.4 Ų | 157.4 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -72.7 | 104.6 | 163.9 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 418 | V | 42.2 | Very low | 41.1 | Very low | 91 Ų | 91 | 159.6 Ų | 159.6 | 55% | 0.552 | 81% | 0.81 | S | S | * | * | trans | -115.2 | 104.1 | 170.9 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | E416 R420 | E416-V418 HydrophobicContact CB-CG2 4.44Å; E416-V418 HydrophobicContact CG-CG2 3.83Å; E416-V418 PolarHBondContact O-N 3.43Å; E416-V418 VanDerWaalsContact OE1-CG2 3.32Å; E416-V418 WeakPolarHBondContact OE1-CG2 3.45Å; V418-R420 HydrophobicContact CG1-CG 4.45Å | ||
| 419 | W | 38.8 | Very low | 41.6 | Very low | 233 Ų | 233 | 159.9 Ų | 159.9 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -48.9 | 134.5 | 158.3 | -99.2 | 73 | 0 | 0 | 0 | 110.9 | ||||
| 420 | R | 48.9 | Very low | 42.2 | Very low | 216 Ų | 216 | 163.6 Ų | 163.6 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -136.7 | 119.5 | 157.9 | -73 | -167.9 | 173.2 | -119.8 | -0.9 | 110.1 | V418 | V418-R420 HydrophobicContact CG1-CG 4.45Š| ||
| 421 | P | 53.7 | Low | 43 | Very low | 96 Ų | 96 | 165.9 Ų | 165.9 | 62% | 0.623 | 82% | 0.818 | S | S | * | * | trans | -86.2 | 138 | 159.1 | 33.7 | -25.9 | 0 | 0 | 0 | 109.2 | ||||
| 422 | Y | 46.6 | Very low | 43.5 | Very low | 305 Ų | 305 | 168.5 Ų | 168.5 | 100% | 1.196 | 82% | 0.816 | S | S | * | * | trans | -149.4 | 0 | 136.1 | -87.4 | -67.9 | 0 | 0 | 0 | 108.1 |
Retrieved 422 of 422 residues in 52 ms
(Link to these results)