| 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 | 42.5 | Very low | 44.4 | Very low | 239 Ų | 239 | 157.1 Ų | 157.1 | 100% | 1.177 | 79% | 0.794 | S | S | * | * | 0 | 121.7 | 0 | -63.6 | 169.4 | 177.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 44.5 | Very low | 44.1 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | cis | -176.1 | 141.1 | -17.3 | -85.3 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 3 | D | 46.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -54.2 | 153.1 | 178.4 | -50.7 | -101.3 | 0 | 0 | 0 | 112.1 | ||||
| 4 | N | 49.4 | Very low | 44 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -135.2 | 125.2 | 150.9 | -162.4 | 40.9 | 0 | 0 | 0 | 110.8 | ||||
| 5 | E | 46.4 | Very low | 44.1 | Very low | 141 Ų | 141 | 154.5 Ų | 154.5 | 66% | 0.659 | 81% | 0.811 | S | S | * | * | trans | -118.8 | 166.4 | -169.9 | -165.9 | -153.8 | 115.4 | 0 | 0 | 109.1 | ||||
| 6 | K | 47.7 | Very low | 43.9 | Very low | 180 Ų | 180 | 152.1 Ų | 152.1 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | 80.3 | 146.1 | 166.7 | -49.7 | 169.8 | -172.4 | 174.7 | 0 | 115.6 | ||||
| 7 | G | 38.8 | Very low | 43.6 | Very low | 62 Ų | 62 | 149.2 Ų | 149.2 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | cis | -149.5 | 157.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | R | 47.7 | Very low | 43.6 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | 54.1 | 134.8 | 84.6 | -64 | -167.9 | -175.6 | -162.5 | 2.2 | 113.6 | |||||
| 9 | E | 40.7 | Very low | 44.1 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 57% | 0.57 | 81% | 0.808 | S | S | * | * | cis | -155.3 | 158.1 | -5 | -171.4 | 164.6 | 144.2 | 0 | 0 | 104.9 | R11 | E9-R11 IonicContact OE1-CZ 3.2Å; E9-R11 IonicContact OE1-NE 2.88Å; E9-R11 PolarHBondContact OE1-NE 3.06Å; E9-R11 IonicContact OE1-NH2 2.76Å; E9-R11 PolarHBondContact OE1-NH2 3.19Å | ||
| 10 | S | 42.4 | Very low | 43.5 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | 177.9 | 159.6 | 69 | -47 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 11 | R | 41.9 | Very low | 43.4 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | 21.2 | 143.5 | 123.5 | -49.3 | 171.9 | -162.1 | -172.1 | 0.9 | 117.8 | E9 | E9-R11 IonicContact OE1-CZ 3.2Å; E9-R11 IonicContact OE1-NE 2.88Å; E9-R11 PolarHBondContact OE1-NE 3.06Å; E9-R11 IonicContact OE1-NH2 2.76Å; E9-R11 PolarHBondContact OE1-NH2 3.19Å | |||
| 12 | S | 40 | Very low | 43.6 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | 178.1 | 142.6 | -1 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | A | 44.6 | Very low | 43.1 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | trans | -159.9 | 93.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 14 | S | 42.2 | Very low | 42.6 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 140.9 | 161.9 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | R | 45.8 | Very low | 41.9 | Very low | 256 Ų | 256 | 135.9 Ų | 135.9 | 97% | 0.966 | 78% | 0.778 | S | S | * | * | trans | -168.1 | 114.4 | 147 | -108.3 | 153.9 | -173.6 | -142.6 | -2.9 | 113.5 | ||||
| 16 | S | 40.5 | Very low | 41.3 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -83.9 | 141.8 | 168.4 | 49 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 17 | A | 39.2 | Very low | 40.7 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -167.7 | 101.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | S | 44.2 | Very low | 40.5 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -93.5 | 159.1 | 135.7 | -52.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 19 | P | 52 | Low | 40 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -124.6 | -155.2 | 51.5 | 14 | 13.8 | 0 | 0 | 0 | 111.2 | |||||
| 20 | H | 33.4 | Very low | 40.1 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | cis | -151 | 161.5 | 17.7 | -114.8 | -68.6 | 0 | 0 | 0 | 113 | ||||
| 21 | A | 40 | Very low | 39.6 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | -120.9 | 152.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 22 | P | 47.3 | Very low | 39.4 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | -145.4 | 180 | 92.4 | 37.2 | -19.6 | 0 | 0 | 0 | 112.4 | |||||
| 23 | G | 33.4 | Very low | 39.1 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | cis | 158.9 | 170.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 24 | K | 36.2 | Very low | 38.9 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | 84.7 | 103 | 168.1 | -54.8 | -175.4 | 178.5 | -177.1 | 0 | 120.3 | ||||
| 25 | S | 35.6 | Very low | 38.5 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -7.7 | 138.9 | 140.6 | 55 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 26 | A | 34 | Very low | 37.9 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | 170.4 | 135 | 99.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 27 | S | 34.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 53.8 | 132.2 | 146.4 | 67.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 28 | R | 34.3 | Very low | 37.3 | Very low | 243 Ų | 243 | 134.3 Ų | 134.3 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | 82.9 | 134.2 | 146.8 | -72.3 | 174.6 | 176.5 | -167.1 | -1.1 | 120.4 | ||||
| 29 | S | 36.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 164.3 | 176.2 | -33.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 30 | P | 43.8 | Very low | 35.6 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -141.4 | 174.9 | 84.9 | 38.6 | -23.7 | 0 | 0 | 0 | 116.2 | |||||
| 31 | A | 32.3 | Very low | 35.4 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -53.6 | 150.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 32 | R | 37.2 | Very low | 35 | Very low | 255 Ų | 255 | 139.9 Ų | 139.9 | 96% | 0.962 | 79% | 0.793 | S | S | * | * | trans | -149.6 | 129.3 | 137.1 | -130.6 | 172.2 | -179.2 | -132.3 | -1.1 | 112.5 | ||||
| 33 | S | 34.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -87.6 | 157.5 | -179.2 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 34 | K | 39.7 | Very low | 34.1 | Very low | 217 Ų | 217 | 143.6 Ų | 143.6 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -146.4 | 102 | 146.7 | -112.2 | 178 | -177.9 | -177.2 | 0 | 109.5 | ||||
| 35 | D | 34.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -73.7 | 151.7 | 174.1 | 169.6 | -109.7 | 0 | 0 | 0 | 111.1 | S37 | D35-S37 WeakPolarHBondContact OD1-CB 3.32Å; D35-S37 PolarHBondContact OD1-N 2.74Å; D35-S37 PolarHBondContact OD1-OG 3.41Å | ||
| 36 | G | 32.6 | Very low | 33.1 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -127.7 | 59.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | S | 34.5 | Very low | 32.9 | Very low | 80 Ų | 80 | 150.6 Ų | 150.6 | 56% | 0.559 | 79% | 0.789 | S | S | * | * | trans | -73.9 | 130.6 | -172.6 | 38.2 | 0 | 0 | 0 | 0 | 114.4 | D35 | D35-S37 WeakPolarHBondContact OD1-CB 3.32Å; D35-S37 PolarHBondContact OD1-N 2.74Å; D35-S37 PolarHBondContact OD1-OG 3.41Å | ||
| 38 | H | 33.6 | Very low | 32.6 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 140.9 | 154.5 | -59 | -111.6 | 0 | 0 | 0 | 109.3 | ||||
| 39 | H | 29.1 | Very low | 32.4 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -150.2 | 142.9 | 153.7 | -103.2 | 94.2 | 0 | 0 | 0 | 114.5 | ||||
| 40 | S | 30.6 | Very low | 32.1 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -49.1 | 158.8 | 173.2 | 52.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 41 | R | 30.1 | Very low | 31.3 | Very low | 219 Ų | 219 | 155.6 Ų | 155.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -136.7 | 89.7 | 155.7 | -129.4 | 178 | -169 | -179.2 | 6.4 | 112.7 | ||||
| 42 | S | 31 | Very low | 31.2 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -77.7 | 142.5 | 154.4 | 47 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | K | 35 | Very low | 30.8 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 70% | 0.7 | 78% | 0.784 | S | S | * | * | trans | -139.2 | 117.8 | 169.1 | -84 | -167.3 | 172.3 | -172.2 | 0 | 112.1 | ||||
| 44 | S | 27.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -43.4 | 169.5 | 150.3 | 41.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 45 | W | 21.8 | Very low | 30 | Very low | 232 Ų | 232 | 147.4 Ų | 147.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | cis | 178.4 | 147.6 | -12.6 | 164 | -75.4 | 0 | 0 | 0 | 107.5 | ||||
| 46 | S | 28.4 | Very low | 29.7 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 62.3 | 166.9 | 175.8 | 78.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 47 | R | 29.5 | Very low | 29.6 | Very low | 232 Ų | 232 | 149.1 Ų | 149.1 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | cis | -154.7 | 160.2 | 26.7 | -142.5 | 165.2 | -172.1 | 170 | 1.3 | 111.1 | ||||
| 48 | S | 28.8 | Very low | 29.2 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -71.8 | 152.6 | -178.2 | 46.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 49 | R | 31 | Very low | 29 | Very low | 255 Ų | 255 | 148.4 Ų | 148.4 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | trans | -165 | 151.2 | 147.5 | -107.3 | 160.6 | -171.4 | -165.5 | 0.7 | 111.2 | ||||
| 50 | S | 29.1 | Very low | 29.1 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -109.9 | 153.7 | -169.8 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 51 | R | 27.9 | Very low | 29 | Very low | 232 Ų | 232 | 148.1 Ų | 148.1 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | 168 | 137.6 | 127.4 | -95.5 | 174.9 | 169.4 | -160.4 | -4.8 | 114.6 | |||||
| 52 | S | 29.2 | Very low | 29 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 41.4 | 130.8 | 144.6 | 62.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 53 | G | 28.6 | Very low | 28.9 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 173.2 | 86.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 54 | S | 27.5 | Very low | 28.5 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 149.5 | 174.5 | -41.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 55 | H | 29.1 | Very low | 28.7 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -168.1 | 138.5 | 130.5 | -106.8 | 70.7 | 0 | 0 | 0 | 111.4 | ||||
| 56 | S | 28.7 | Very low | 29 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -80.1 | 153 | 173 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 57 | N | 30 | Very low | 29.1 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | -161.2 | 155.9 | 126.4 | -105.2 | -29 | 0 | 0 | 0 | 116.1 | |||||
| 58 | H | 27 | Very low | 29.3 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -79.8 | 167.9 | -173.8 | 53.8 | 58.4 | 0 | 0 | 0 | 113.8 | ||||
| 59 | G | 29.4 | Very low | 29.4 | Very low | 78 Ų | 78 | 150.9 Ų | 150.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 174.5 | 60.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 60 | S | 31.3 | Very low | 29.4 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -88.7 | 141 | 172.1 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 61 | H | 28.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 160.1 | 152.3 | 156.2 | -89 | 9.7 | 0 | 0 | 0 | 109.5 | ||||
| 62 | K | 28.2 | Very low | 29.7 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | cis | -166.2 | 141.3 | -27.8 | -125.2 | 175.8 | -177.1 | 171.4 | 0 | 104.5 | ||||
| 63 | H | 29.1 | Very low | 30 | Very low | 193 Ų | 193 | 150 Ų | 150 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -73 | 145.9 | 177.8 | -68.2 | -95.7 | 0 | 0 | 0 | 111.6 | ||||
| 64 | Y | 28.4 | Very low | 30.6 | Very low | 223 Ų | 223 | 149.9 Ų | 149.9 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -125.4 | 130.2 | 151.5 | -155.4 | -91.9 | 0 | 0 | 0 | 109.5 | ||||
| 65 | S | 31.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 156.5 Ų | 156.5 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -108.7 | 138.8 | -175.7 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 66 | H | 27.3 | Very low | 31.3 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -144.7 | 153.6 | 156.4 | -146.1 | 66.1 | 0 | 0 | 0 | 112.6 | ||||
| 67 | S | 31.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 164.9 Ų | 164.9 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -112.4 | 164 | -144.3 | 47.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 68 | R | 32.3 | Very low | 31.9 | Very low | 239 Ų | 239 | 163.9 Ų | 163.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -58.7 | 144.2 | 178.2 | -60.3 | 162 | 167.8 | 163.2 | -6 | 113.9 | ||||
| 69 | S | 31.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 165.7 Ų | 165.7 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | 178.2 | 121.3 | 123.5 | 38.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 70 | R | 32.3 | Very low | 32.5 | Very low | 235 Ų | 235 | 166.7 Ų | 166.7 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | 63.3 | 94.8 | 76.2 | -78.9 | -169.2 | 174.9 | 177.8 | -0.8 | 115.6 | |||||
| 71 | S | 31.8 | Very low | 32.8 | Very low | 107 Ų | 107 | 174 Ų | 174 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | 69.9 | 120.8 | 136.5 | -47.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 72 | R | 31.2 | Very low | 33 | Very low | 244 Ų | 244 | 171.1 Ų | 171.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | -169.2 | 136.6 | 124.5 | -103.2 | 157.5 | -168.7 | -150.8 | 2.1 | 114.8 | |||||
| 73 | S | 35 | Very low | 33.4 | Very low | 111 Ų | 111 | 173.3 Ų | 173.3 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -3.8 | 127.8 | 158.3 | 53.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 74 | G | 40.4 | Very low | 33.8 | Very low | 76 Ų | 76 | 168.5 Ų | 168.5 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | 77.8 | 105 | 118.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 75 | R | 33.1 | Very low | 34.5 | Very low | 251 Ų | 251 | 160 Ų | 160 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | trans | -148.6 | 128.3 | 144.2 | -112.8 | 171.8 | -169.2 | -139 | 0 | 111.4 | R77 | R75-R77 PolarHBondContact O-N 2.96Š| ||
| 76 | R | 39 | Very low | 34.7 | Very low | 252 Ų | 252 | 163.1 Ų | 163.1 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 128.8 | 171.3 | -63.4 | 176.7 | 179 | -118.3 | 1.3 | 108.4 | ||||
| 77 | R | 33.4 | Very low | 35.3 | Very low | 215 Ų | 215 | 165.4 Ų | 165.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -132.2 | 93.2 | 163.4 | -155.7 | 169.6 | -164.1 | 169.6 | 5.6 | 109.8 | R75 R79 | R75-R77 PolarHBondContact O-N 2.96Å; R77-R79 PolarHBondContact O-N 3.14Å | ||
| 78 | S | 38.1 | Very low | 35.7 | Very low | 119 Ų | 119 | 172.3 Ų | 172.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -56.5 | 123.2 | 165.8 | 37 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 79 | R | 33.8 | Very low | 36.1 | Very low | 204 Ų | 204 | 172.2 Ų | 172.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -148 | 108.3 | 159.6 | -123.5 | 167.3 | -176.5 | 152.8 | 2.9 | 111.1 | R77 | R77-R79 PolarHBondContact O-N 3.14Š| ||
| 80 | S | 34.1 | Very low | 36.4 | Very low | 98 Ų | 98 | 177.6 Ų | 177.6 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | 39.4 | 104.1 | 152.5 | 49.2 | 0 | 0 | 0 | 0 | 117.7 | S82 | S80-S82 PolarHBondContact O-N 3.35Å; S80-S82 VanDerWaalsContact O-N 3.14Å | ||
| 81 | R | 39 | Very low | 36.8 | Very low | 259 Ų | 259 | 171.2 Ų | 171.2 | 98% | 0.977 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 110.2 | 151.8 | -69.3 | 171.4 | 172.5 | 149.2 | -5.1 | 108.9 | ||||
| 82 | S | 31.6 | Very low | 37.6 | Very low | 97 Ų | 97 | 174 Ų | 174 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -114.8 | 98.7 | 159.5 | -64 | 0 | 0 | 0 | 0 | 107.6 | S80 S84 | S80-S82 PolarHBondContact O-N 3.35Å; S80-S82 VanDerWaalsContact O-N 3.14Å; S82-S84 PolarHBondContact O-N 3.45Å | ||
| 83 | Y | 37.8 | Very low | 38.1 | Very low | 225 Ų | 225 | 167.5 Ų | 167.5 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 76.3 | 170.2 | 178.7 | -97.1 | 0 | 0 | 0 | 108.6 | G85 | Y83-G85 PolarHBondContact O-N 2.82Š| ||
| 84 | S | 37 | Very low | 38.5 | Very low | 92 Ų | 92 | 170.7 Ų | 170.7 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | trans | -85.8 | 93.4 | 156.7 | 47 | 0 | 0 | 0 | 0 | 107 | S82 E86 | S82-S84 PolarHBondContact O-N 3.45Å; S84-E86 PolarHBondContact O-N 3.26Å | ||
| 85 | G | 43.6 | Very low | 38.5 | Very low | 45 Ų | 45 | 170.2 Ų | 170.2 | 46% | 0.464 | 79% | 0.788 | S | S | . | * | trans | -68.7 | 65.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y83 R87 | Y83-G85 PolarHBondContact O-N 2.82Å; G85-R87 PolarHBondContact O-N 3.26Å | ||
| 86 | E | 35.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 164.6 Ų | 164.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 78.9 | 177.3 | -161.5 | 69.6 | -170.6 | 0 | 0 | 108.1 | S84 R88 | S84-E86 PolarHBondContact O-N 3.26Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 2.9Å | ||
| 87 | R | 38.7 | Very low | 39.3 | Very low | 226 Ų | 226 | 160.3 Ų | 160.3 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -57.5 | 99.8 | 169 | -63.2 | -174.7 | -168.2 | -164.8 | 4.1 | 105.2 | G85 R89 | G85-R87 PolarHBondContact O-N 3.26Å; R87-R89 PolarHBondContact O-N 3.39Å | ||
| 88 | R | 40.1 | Very low | 39.8 | Very low | 244 Ų | 244 | 153.4 Ų | 153.4 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -51.6 | 93.7 | 163.6 | -81.6 | -176.8 | 173.7 | 168.2 | -2 | 106 | E86 R90 | E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 2.9Å; R88-R90 VanDerWaalsContact C-N 3.29Å; R88-R90 PolarHBondContact O-N 3.19Å | ||
| 89 | R | 40.4 | Very low | 40 | Very low | 236 Ų | 236 | 155.9 Ų | 155.9 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | -60.3 | 105.8 | 172.9 | -74.2 | -165.2 | -179 | -145.2 | 4.4 | 103 | R87 S91 | R87-R89 PolarHBondContact O-N 3.39Å; R89-S91 VanDerWaalsContact C-N 3.32Å; R89-S91 PolarHBondContact O-N 2.85Å | ||
| 90 | R | 38 | Very low | 40.6 | Very low | 229 Ų | 229 | 155.9 Ų | 155.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -49.8 | 110 | 168 | -172.7 | 113.8 | 78 | -173 | 7.2 | 103.6 | R88 L92 | R88-R90 VanDerWaalsContact C-N 3.29Å; R88-R90 PolarHBondContact O-N 3.19Å; R90-L92 PolarHBondContact O-N 3.21Å | ||
| 91 | S | 42.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 161 Ų | 161 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -59 | 99.7 | 175.5 | 27.8 | 0 | 0 | 0 | 0 | 104.4 | R89 S93 | R89-S91 VanDerWaalsContact C-N 3.32Å; R89-S91 PolarHBondContact O-N 2.85Å; S91-S93 VanDerWaalsContact C-N 3.27Å; S91-S93 PolarHBondContact O-N 3.33Å | ||
| 92 | L | 47.6 | Very low | 41.6 | Very low | 165 Ų | 165 | 159 Ų | 159 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -56.7 | 107.8 | 165.2 | -83.2 | 128.2 | 0 | 0 | 0 | 103.2 | R90 H94 | R90-L92 PolarHBondContact O-N 3.21Å; L92-H94 PolarHBondContact O-N 2.81Å | ||
| 93 | S | 41.6 | Very low | 42.4 | Very low | 107 Ų | 107 | 159 Ų | 159 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -53.9 | 96.6 | 173.4 | -46.3 | 0 | 0 | 0 | 0 | 105.6 | S91 S95 | S91-S93 VanDerWaalsContact C-N 3.27Å; S91-S93 PolarHBondContact O-N 3.33Å; S93-S95 PolarHBondContact O-N 3.17Å | ||
| 94 | H | 43.4 | Very low | 42.8 | Very low | 179 Ų | 179 | 156 Ų | 156 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -73 | 83.4 | 169.7 | -158.6 | 98.2 | 0 | 0 | 0 | 103.3 | L92 | L92-H94 PolarHBondContact O-N 2.81Š| ||
| 95 | S | 40.9 | Very low | 43.6 | Very low | 65 Ų | 65 | 153.8 Ų | 153.8 | 46% | 0.455 | 74% | 0.741 | S | S | . | * | trans | -43 | 136.8 | 166.9 | -55.4 | 0 | 0 | 0 | 0 | 106.5 | S93 M97 | S93-S95 PolarHBondContact O-N 3.17Å; S95-M97 PolarHBondContact O-N 3.42Å | ||
| 96 | P | 46.5 | Very low | 44.1 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 64.9 | 174.7 | 30.2 | -34.8 | 0 | 0 | 0 | 109.1 | S98 | P96-S98 PolarHBondContact O-N 3.03Š| ||
| 97 | M | 42.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 159 Ų | 159 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -73 | 81.1 | 173.6 | -82.1 | -161.8 | -68.7 | 0 | 0 | 107.7 | S95 | S95-M97 PolarHBondContact O-N 3.42Š| ||
| 98 | S | 43.7 | Very low | 46 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 49% | 0.49 | 74% | 0.742 | S | S | . | * | trans | 74.5 | 117.8 | 166 | -135.4 | 0 | 0 | 0 | 0 | 116 | P96 R100 | P96-S98 PolarHBondContact O-N 3.03Å; S98-R100 CarbonylContact O-C 3.56Å; S98-R100 PolarHBondContact O-N 2.98Å; S98-R100 WeakPolarHBondContact OG-CB 3.41Å; S98-R100 PolarHBondContact OG-N 2.89Å | ||
| 99 | N | 40.8 | Very low | 47.2 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -61.3 | 1.5 | 152.8 | -97.1 | 2.3 | 0 | 0 | 0 | 113.1 | R101 | N99-R101 PolarHBondContact O-N 3.43Š|
| 100 | R | 46.6 | Very low | 48.6 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | trans | -63.6 | 71.6 | 150.4 | -163.4 | -173.2 | -56.5 | 169.7 | 2.6 | 108.8 | S98 R102 | S98-R100 CarbonylContact O-C 3.56Å; S98-R100 PolarHBondContact O-N 2.98Å; S98-R100 WeakPolarHBondContact OG-CB 3.41Å; S98-R100 PolarHBondContact OG-N 2.89Å; R100-R102 PolarHBondContact O-N 2.64Å | ||
| 101 | R | 45.3 | Very low | 50.3 | Low | 206 Ų | 206 | 129 Ų | 129 | 78% | 0.777 | 67% | 0.672 | S | S | * | * | trans | -38.2 | 114 | 156.8 | -79.9 | 179.5 | 169.3 | -177.8 | -3.6 | 105.5 | N99 H103 | N99-R101 PolarHBondContact O-N 3.43Å; R101-H103 PolarHBondContact O-N 2.87Å | ||
| 102 | R | 50 | Low | 52.1 | Low | 216 Ų | 216 | 128.3 Ų | 128.3 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | trans | -54.7 | 117.8 | 163.9 | -61.9 | 178.5 | -170.6 | 166.1 | 3.4 | 103.8 | R100 I104 | R100-R102 PolarHBondContact O-N 2.64Å; R102-I104 WeakPolarHBondContact O-CD1 3.23Å; R102-I104 VanDerWaalsContact O-CG1 3.32Å; R102-I104 WeakPolarHBondContact O-CG1 3.34Å; R102-I104 PolarHBondContact O-N 2.83Å | ||
| 103 | H | 48.4 | Very low | 53.8 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 45% | 0.454 | 63% | 0.625 | S | S | . | * | trans | -53.1 | 111.8 | -174.2 | -111.4 | -115.8 | 0 | 0 | 0 | 108.3 | R101 G105 I191 | R101-H103 PolarHBondContact O-N 2.87Å; H103-G105 PolarHBondContact O-N 2.66Å; H103-G105 VanDerWaalsContact O-N 3.17Å; H103-I191 HydrophobicContact CB-CG2 4.12Å; H103-I191 VanDerWaalsContact CD2-CG2 3.45Å; H103-I191 WeakPolarHBondContact CD2-CG2 3.44Å | ||
| 104 | I | 46.4 | Very low | 55.9 | Low | 162 Ų | 162 | 116.8 Ų | 116.8 | 83% | 0.831 | 60% | 0.599 | S | S | * | * | trans | -85.3 | 35.6 | 174.2 | -45.9 | 100.8 | 0 | 0 | 0 | 108.7 | R102 | R102-I104 WeakPolarHBondContact O-CD1 3.23Å; R102-I104 VanDerWaalsContact O-CG1 3.32Å; R102-I104 WeakPolarHBondContact O-CG1 3.34Å; R102-I104 PolarHBondContact O-N 2.83Å | ||
| 105 | G | 52.8 | Low | 58.1 | Low | 46 Ų | 46 | 108.4 Ų | 108.4 | 47% | 0.474 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -103.7 | 171.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | H103 R107 | H103-G105 PolarHBondContact O-N 2.66Å; H103-G105 VanDerWaalsContact O-N 3.17Å; G105-R107 PolarHBondContact O-N 2.79Å |
| 106 | N | 54.1 | Low | 60.4 | Low | 140 Ų | 140 | 105.3 Ų | 105.3 | 75% | 0.749 | 54% | 0.539 | S | S | * | . | trans | -60.4 | 100.7 | 173.3 | -99.2 | -14.3 | 0 | 0 | 0 | 110.1 | A108 N109 | N106-A108 PolarHBondContact O-N 2.76Å; N106-N109 CarbonylContact O-C 3.43Å; N106-N109 PolarHBondContact O-N 2.59Å | ||
| 107 | R | 56.3 | Low | 62.6 | Low | 177 Ų | 177 | 99 Ų | 99 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -10.2 | 176.6 | -161.1 | 105 | 69 | 97.8 | 8.9 | 113.3 | G105 I191 | G105-R107 PolarHBondContact O-N 2.79Å; R107-I191 HydrophobicContact CG-CD1 4.37Å |
| 108 | A | 58.6 | Low | 64.9 | Low | 84 Ų | 84 | 91.3 Ų | 91.3 | 69% | 0.694 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -13.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N106 | N106-A108 PolarHBondContact O-N 2.76Š|
| 109 | N | 64 | Low | 67.1 | Low | 108 Ų | 108 | 91.2 Ų | 91.2 | 58% | 0.578 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -155.3 | 83.2 | 174.8 | -165.6 | 46.7 | 0 | 0 | 0 | 110.9 | N106 K172 | N106-N109 CarbonylContact O-C 3.43Å; N106-N109 PolarHBondContact O-N 2.59Å; N109-K172 PolarHBondContact OD1-NZ 2.99Å |
| 110 | P | 69.8 | Low | 69.4 | Low | 14 Ų | 14 | 84.8 Ų | 84.8 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 160.1 | 170.9 | 22.4 | -19.3 | 0 | 0 | 0 | 111.6 | D188 F189 I191 | P110-D188 WeakPolarHBondContact CD-OD1 3.45Å; P110-F189 HydrophobicContact CG-CB 3.91Å; P110-F189 WeakPolarHBondContact CG-O 3.5Å; P110-I191 HydrophobicContact CB-CG1 4.33Å; P110-I191 HydrophobicContact CG-CG1 4.46Å |
| 111 | D | 75.1 | Confident | 71.5 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 138.8 | -178.5 | -55.2 | -94.5 | 0 | 0 | 0 | 112.1 | N113 | D111-N113 PolarHBondContact O-N 3.24Š|
| 112 | P | 78.4 | Confident | 73.6 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 130.3 | -178.8 | 24.7 | -34.2 | 0 | 0 | 0 | 111 | F189 | P112-F189 HydrophobicContact CB-CE1 4.27Å; P112-F189 HydrophobicContact CB-CE2 3.98Å; P112-F189 HydrophobicContact CB-CZ 3.85Å |
| 113 | N | 84 | Confident | 75.4 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | trans | -149 | 169.5 | -179.5 | 63.7 | 10.3 | 0 | 0 | 0 | 110.6 | D111 C115 A168 F189 S190 K193 | D111-N113 PolarHBondContact O-N 3.24Å; N113-C115 PolarHBondContact O-N 3.2Å; N113-C115 PolarHBondContact OD1-N 2.83Å; N113-C115 PolarHBondContact OD1-O 3.34Å; N113-A168 WeakPolarHBondContact O-CB 3.43Å; N113-F189 WeakPolarHBondContact O-CD1 3.09Å; N113-F189 WeakPolarHBondContact O-CE1 3.42Å; N113-F189 WeakPolarHBondContact OD1-CD1 3.35Å; N113-S190 PolarHBondContact ND2-O 2.84Å; N113-K193 HydrophobicContact CB-CD 4.48Å; N113-K193 HydrophobicContact CB-CG 3.99Å | ||
| 114 | A | 86.4 | Confident | 77.2 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 21% | 0.207 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -80.3 | 5.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y161 F162 T165 | A114-Y161 WeakPolarHBondContact O-CA 3.43Å; A114-F162 HydrophobicContact CB-CB 4.46Å; A114-F162 WeakPolarHBondContact CB-O 3.44Å; A114-F162 PolarHBondContact O-N 3.09Å; A114-T165 HydrophobicContact CB-CG2 4.06Å |
| 115 | C | 88.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.1 | -178.6 | -180 | 0 | 0 | 0 | 0 | 110 | N113 V160 Y161 S190 | N113-C115 PolarHBondContact O-N 3.2Å; N113-C115 PolarHBondContact OD1-N 2.83Å; N113-C115 PolarHBondContact OD1-O 3.34Å; C115-V160 CarbonylContact C-O 3.55Å; C115-V160 WeakPolarHBondContact CA-O 3.48Å; C115-Y161 HydrophobicContact CB-CD1 3.76Å; C115-Y161 HydrophobicContact CB-CE1 3.82Å; C115-Y161 WeakPolarHBondContact SG-CE1 3.4Å; C115-S190 VanDerWaalsContact O-CB 3.25Å; C115-S190 WeakPolarHBondContact O-CB 3.35Å; C115-S190 PolarHBondContact O-N 2.84Å; C115-S190 WeakPolarHBondContact SG-CB 3.4Å |
| 116 | L | 90.7 | Very high | 81 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.9 | 175.9 | -57.1 | -173.8 | 0 | 0 | 0 | 110.8 | F159 V160 F162 A168 A171 K172 V187 D188 F189 | L116-F159 WeakPolarHBondContact O-CA 3.29Å; L116-V160 PolarHBondContact N-O 2.9Å; L116-V160 PolarHBondContact O-N 2.93Å; L116-F162 HydrophobicContact CD1-CD2 4.3Å; L116-F162 HydrophobicContact CD1-CE2 3.63Å; L116-F162 HydrophobicContact CD1-CZ 4.41Å; L116-F162 HydrophobicContact CG-CD2 4.34Å; L116-F162 HydrophobicContact CG-CE2 4.09Å; L116-A168 HydrophobicContact CD1-CB 4.46Å; L116-A168 WeakPolarHBondContact CD1-O 3.29Å; L116-A168 HydrophobicContact CD2-CB 4.18Å; L116-A168 HydrophobicContact CG-CB 4.23Å; L116-A171 HydrophobicContact CD1-CB 3.83Å; L116-K172 HydrophobicContact CD1-CB 4.41Å; L116-K172 HydrophobicContact CD2-CB 4.21Å; L116-V187 HydrophobicContact CB-CG1 3.94Å; L116-V187 HydrophobicContact CD1-CG1 3.74Å; L116-V187 HydrophobicContact CG-CG1 4.3Å; L116-D188 WeakPolarHBondContact CA-O 3.19Å; L116-F189 HydrophobicContact CD2-CD1 3.49Å; L116-F189 VanDerWaalsContact CD2-CD1 3.49Å; L116-F189 HydrophobicContact CD2-CE1 3.79Å; L116-F189 HydrophobicContact CD2-CG 4.41Å |
| 117 | G | 91.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 117.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | F119 D188 | G117-F119 WeakPolarHBondContact O-CD2 3.32Å; G117-F119 WeakPolarHBondContact O-CE2 3.16Å; G117-D188 PolarHBondContact N-O 2.71Å; G117-D188 PolarHBondContact O-N 3.44Å |
| 118 | V | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.2 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | L121 F134 F157 A158 V160 I185 V187 | V118-L121 HydrophobicContact CG1-CD1 4.41Å; V118-L121 HydrophobicContact CG1-CD2 3.65Å; V118-L121 HydrophobicContact CG1-CG 4.14Å; V118-F134 HydrophobicContact CG1-CE2 4.25Å; V118-F134 HydrophobicContact CG1-CZ 4.15Å; V118-F134 HydrophobicContact CG2-CE1 4.38Å; V118-F134 HydrophobicContact CG2-CE2 3.76Å; V118-F134 HydrophobicContact CG2-CZ 3.57Å; V118-F157 CarbonylContact O-C 3.54Å; V118-F157 WeakPolarHBondContact O-CA 3.38Å; V118-F157 VanDerWaalsContact O-CB 3.29Å; V118-F157 WeakPolarHBondContact O-CB 3.49Å; V118-A158 PolarHBondContact N-O 3.14Å; V118-A158 PolarHBondContact O-N 3.38Å; V118-V160 HydrophobicContact CG2-CG2 3.86Å; V118-I185 HydrophobicContact CG1-CB 4.25Å; V118-I185 HydrophobicContact CG1-CD1 4.22Å; V118-V187 HydrophobicContact CG1-CG2 4.32Å; V118-V187 HydrophobicContact CG2-CG2 4.45Å |
| 119 | F | 90.7 | Very high | 85.9 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 153.5 | -175.8 | -55.1 | -85.7 | 0 | 0 | 0 | 111.1 | G117 F157 I185 R186 | G117-F119 WeakPolarHBondContact O-CD2 3.32Å; G117-F119 WeakPolarHBondContact O-CE2 3.16Å; F119-F157 HydrophobicContact CD1-CB 3.89Å; F119-F157 HydrophobicContact CE1-CB 4.45Å; F119-I185 CarbonylContact O-C 3.43Å; F119-I185 WeakPolarHBondContact O-CA 3.25Å; F119-R186 HydrophobicContact CB-CB 4.46Å; F119-R186 PolarHBondContact N-O 3.33Å; F119-R186 PolarHBondContact O-N 3.21Å |
| 120 | G | 88.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 86.6 | 13.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G156 R183 | G120-G156 PolarHBondContact N-O 2.97Å; G120-R183 WeakPolarHBondContact O-CB 3.37Å |
| 121 | L | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -60.8 | 158.5 | 179.3 | -60.5 | 178.6 | 0 | 0 | 0 | 112.2 | V118 T125 L130 G156 A158 L180 R183 I185 | V118-L121 HydrophobicContact CG1-CD1 4.41Å; V118-L121 HydrophobicContact CG1-CD2 3.65Å; V118-L121 HydrophobicContact CG1-CG 4.14Å; L121-T125 HydrophobicContact CD2-CG2 4.48Å; L121-L130 HydrophobicContact CD1-CD1 3.92Å; L121-L130 HydrophobicContact CD1-CD2 3.97Å; L121-L130 HydrophobicContact CD2-CD2 3.72Å; L121-G156 PolarHBondContact N-O 2.91Å; L121-A158 HydrophobicContact CD1-CB 3.68Å; L121-L180 HydrophobicContact CD2-CD2 4.03Å; L121-R183 PolarHBondContact O-NH1 3.29Å; L121-I185 HydrophobicContact CD2-CB 4.49Å; L121-I185 HydrophobicContact CD2-CG2 3.79Å | ||
| 122 | S | 89.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | trans | -70.8 | 160.9 | 167.3 | -168.6 | 0 | 0 | 0 | 0 | 110.8 | Y124 T125 | S122-Y124 PolarHBondContact O-N 3.09Å; S122-T125 VanDerWaalsContact CB-OG1 3.29Å; S122-T125 WeakPolarHBondContact CB-OG1 3.32Å; S122-T125 PolarHBondContact N-OG1 2.8Å | ||
| 123 | L | 86.3 | Confident | 89.7 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -75.3 | -13.6 | 176.8 | -59.9 | 175.4 | 0 | 0 | 0 | 111.9 | S154 | L123-S154 WeakPolarHBondContact CD2-O 3.35Š|
| 124 | Y | 87.3 | Confident | 90 | Very high | 184 Ų | 184 | 50.2 Ų | 50.2 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -101.9 | -16.3 | -179.5 | -54.2 | -75.7 | 0 | 0 | 0 | 113.2 | S122 T126 | S122-Y124 PolarHBondContact O-N 3.09Å; Y124-T126 PolarHBondContact O-N 2.99Å |
| 125 | T | 88.1 | Confident | 90.3 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | trans | -58.5 | 126.6 | 177.7 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | L121 S122 D129 L130 I145 L180 D181 | L121-T125 HydrophobicContact CD2-CG2 4.48Å; S122-T125 VanDerWaalsContact CB-OG1 3.29Å; S122-T125 WeakPolarHBondContact CB-OG1 3.32Å; S122-T125 PolarHBondContact N-OG1 2.8Å; T125-D129 HydrophobicContact CG2-CB 4.14Å; T125-L130 HydrophobicContact CG2-CD2 4Å; T125-L130 HydrophobicContact CG2-CG 4.09Å; T125-I145 WeakPolarHBondContact O-CD1 3.5Å; T125-L180 HydrophobicContact CG2-CD2 3.66Å; T125-L180 HydrophobicContact CG2-CG 4.38Å; T125-D181 WeakPolarHBondContact CA-OD2 3.42Å; T125-D181 WeakPolarHBondContact CB-OD2 3.49Å; T125-D181 PolarHBondContact OG1-OD2 2.73Å | ||
| 126 | T | 90.5 | Very high | 90.5 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | trans | -99.5 | 166.6 | 179.6 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | Y124 R128 D129 L130 I145 | Y124-T126 PolarHBondContact O-N 2.99Å; T126-R128 PolarHBondContact O-N 2.97Å; T126-R128 WeakPolarHBondContact OG1-CB 3.35Å; T126-R128 PolarHBondContact OG1-N 2.86Å; T126-D129 WeakPolarHBondContact CB-OD2 3.05Å; T126-D129 PolarHBondContact N-OD2 3.31Å; T126-D129 PolarHBondContact O-N 2.71Å; T126-D129 PolarHBondContact OG1-N 2.75Å; T126-D129 PolarHBondContact OG1-OD2 2.72Å; T126-L130 PolarHBondContact O-N 2.95Å; T126-I145 VanDerWaalsContact C-CD1 3.48Å | ||
| 127 | E | 90 | Very high | 90.5 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.4 | -25.7 | 171.3 | -78.1 | 147.2 | 129.7 | 0 | 0 | 112.1 | R131 V143 I145 Y147 | E127-R131 VanDerWaalsContact O-CB 3.3Å; E127-R131 WeakPolarHBondContact O-CB 3.42Å; E127-R131 PolarHBondContact O-N 3.45Å; E127-V143 HydrophobicContact CB-CG1 4.37Å; E127-V143 HydrophobicContact CG-CG1 4.2Å; E127-I145 HydrophobicContact CG-CB 3.99Å; E127-I145 HydrophobicContact CG-CD1 3.79Å; E127-I145 HydrophobicContact CG-CG1 3.64Å; E127-I145 PolarHBondContact OE1-N 2.58Å; E127-I145 VanDerWaalsContact OE1-N 3.09Å; E127-Y147 PolarHBondContact OE2-OH 2.83Å |
| 128 | R | 91.4 | Very high | 90.4 | Very high | 204 Ų | 204 | 61.2 Ų | 61.2 | 77% | 0.77 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -73.3 | -40.5 | 177.3 | -158.6 | 176.1 | 77.4 | -177.8 | 6.5 | 112.5 | T126 R131 D132 | T126-R128 PolarHBondContact O-N 2.97Å; T126-R128 WeakPolarHBondContact OG1-CB 3.35Å; T126-R128 PolarHBondContact OG1-N 2.86Å; R128-R131 PolarHBondContact O-N 3.43Å; R128-D132 PolarHBondContact O-N 2.86Å |
| 129 | D | 91.4 | Very high | 90.5 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.1 | -55.9 | -71.3 | 0 | 0 | 0 | 111 | T125 T126 R131 D132 V133 | T125-D129 HydrophobicContact CG2-CB 4.14Å; T126-D129 WeakPolarHBondContact CB-OD2 3.05Å; T126-D129 PolarHBondContact N-OD2 3.31Å; T126-D129 PolarHBondContact O-N 2.71Å; T126-D129 PolarHBondContact OG1-N 2.75Å; T126-D129 PolarHBondContact OG1-OD2 2.72Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 2.88Å; D129-D132 PolarHBondContact O-N 2.83Å; D129-V133 WeakPolarHBondContact O-CG2 3.13Å; D129-V133 PolarHBondContact O-N 3.21Å |
| 130 | L | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.4 | -63.6 | 177.2 | 0 | 0 | 0 | 111 | L121 T125 T126 D132 V133 F134 V143 I145 A158 L180 | L121-L130 HydrophobicContact CD1-CD1 3.92Å; L121-L130 HydrophobicContact CD1-CD2 3.97Å; L121-L130 HydrophobicContact CD2-CD2 3.72Å; T125-L130 HydrophobicContact CG2-CD2 4Å; T125-L130 HydrophobicContact CG2-CG 4.09Å; T126-L130 PolarHBondContact O-N 2.95Å; L130-D132 PolarHBondContact O-N 2.98Å; L130-V133 PolarHBondContact O-N 2.87Å; L130-F134 HydrophobicContact CB-CD2 4.41Å; L130-F134 HydrophobicContact CD2-CD2 4.5Å; L130-F134 HydrophobicContact CD2-CE2 4.13Å; L130-F134 WeakPolarHBondContact O-CB 3.35Å; L130-F134 VanDerWaalsContact O-CD2 3.29Å; L130-F134 WeakPolarHBondContact O-CD2 3.32Å; L130-F134 PolarHBondContact O-N 3.38Å; L130-V143 HydrophobicContact CB-CG1 4.01Å; L130-V143 HydrophobicContact CD1-CG1 4.09Å; L130-I145 HydrophobicContact CD1-CD1 3.82Å; L130-I145 HydrophobicContact CD1-CG1 3.7Å; L130-A158 HydrophobicContact CD1-CB 3.42Å; L130-A158 VanDerWaalsContact CD1-CB 3.42Å; L130-L180 HydrophobicContact CD2-CD2 3.98Å |
| 131 | R | 92.8 | Very high | 90.7 | Very high | 154 Ų | 154 | 63 Ų | 63 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 178.3 | -165.3 | 175.5 | -175.7 | -103.6 | 0.1 | 111.7 | E127 R128 D129 S135 L140 | E127-R131 VanDerWaalsContact O-CB 3.3Å; E127-R131 WeakPolarHBondContact O-CB 3.42Å; E127-R131 PolarHBondContact O-N 3.45Å; R128-R131 PolarHBondContact O-N 3.43Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 2.88Å; R131-S135 WeakPolarHBondContact O-CB 3.29Å; R131-S135 PolarHBondContact O-N 2.99Å; R131-L140 HydrophobicContact CB-CD1 4.36Å; R131-L140 HydrophobicContact CG-CD1 3.82Å |
| 132 | D | 91.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.1 | -172.4 | -84.5 | 0 | 0 | 0 | 112.3 | R128 D129 L130 K136 | R128-D132 PolarHBondContact O-N 2.86Å; D129-D132 PolarHBondContact O-N 2.83Å; L130-D132 PolarHBondContact O-N 2.98Å; D132-K136 WeakPolarHBondContact O-CE 3.33Å; D132-K136 WeakPolarHBondContact OD1-CE 3.25Å; D132-K136 IonicContact OD1-NZ 2.72Å; D132-K136 PolarHBondContact OD1-NZ 3.34Å |
| 133 | V | 90.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -46.2 | -179.5 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | D129 L130 Y137 M178 L180 | D129-V133 WeakPolarHBondContact O-CG2 3.13Å; D129-V133 PolarHBondContact O-N 3.21Å; L130-V133 PolarHBondContact O-N 2.87Å; V133-Y137 WeakPolarHBondContact O-CE2 3.48Å; V133-M178 HydrophobicContact CG1-SD 4.1Å; V133-L180 HydrophobicContact CG2-CD1 3.94Å |
| 134 | F | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -82.6 | -23.5 | -175 | -74.6 | -77.2 | 0 | 0 | 0 | 113.8 | V118 L130 K136 Y137 L140 V160 F162 A171 A175 I185 V187 | V118-F134 HydrophobicContact CG1-CE2 4.25Å; V118-F134 HydrophobicContact CG1-CZ 4.15Å; V118-F134 HydrophobicContact CG2-CE1 4.38Å; V118-F134 HydrophobicContact CG2-CE2 3.76Å; V118-F134 HydrophobicContact CG2-CZ 3.57Å; L130-F134 HydrophobicContact CB-CD2 4.41Å; L130-F134 HydrophobicContact CD2-CD2 4.5Å; L130-F134 HydrophobicContact CD2-CE2 4.13Å; L130-F134 WeakPolarHBondContact O-CB 3.35Å; L130-F134 VanDerWaalsContact O-CD2 3.29Å; L130-F134 WeakPolarHBondContact O-CD2 3.32Å; L130-F134 PolarHBondContact O-N 3.38Å; F134-K136 PolarHBondContact O-N 3.46Å; F134-K136 VanDerWaalsContact O-N 3.12Å; F134-Y137 HydrophobicContact CD1-CD2 4.28Å; F134-Y137 HydrophobicContact CD1-CE2 4.39Å; F134-Y137 PolarHBondContact O-N 3.48Å; F134-L140 HydrophobicContact CB-CD1 4.03Å; F134-L140 HydrophobicContact CB-CD2 4.17Å; F134-V160 HydrophobicContact CB-CG1 4.21Å; F134-V160 HydrophobicContact CD2-CG2 4.1Å; F134-V160 HydrophobicContact CE2-CG2 4.4Å; F134-V160 HydrophobicContact CG-CG1 4.35Å; F134-V160 HydrophobicContact CG-CG2 4.44Å; F134-F162 HydrophobicContact CB-CZ 4.09Å; F134-F162 HydrophobicContact CD1-CZ 4.13Å; F134-A171 HydrophobicContact CD1-CB 4.32Å; F134-A175 HydrophobicContact CE1-CB 3.67Å; F134-A175 HydrophobicContact CZ-CB 4.09Å; F134-I185 HydrophobicContact CZ-CD1 4.16Å; F134-V187 HydrophobicContact CE1-CG1 4.49Å; F134-V187 HydrophobicContact CE1-CG2 4.22Å; F134-V187 HydrophobicContact CZ-CG2 3.94Å |
| 135 | S | 91.8 | Very high | 90.9 | Very high | 67 Ų | 67 | 58.5 Ų | 58.5 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.9 | 175 | -174.1 | 0 | 0 | 0 | 0 | 113.5 | R131 Y137 | R131-S135 WeakPolarHBondContact O-CB 3.29Å; R131-S135 PolarHBondContact O-N 2.99Å; S135-Y137 VanDerWaalsContact C-N 3.27Å |
| 136 | K | 91.9 | Very high | 90.9 | Very high | 136 Ų | 136 | 60 Ų | 60 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.6 | 175.5 | -66.7 | 162.2 | -171.4 | 159.4 | 0 | 112.9 | D132 F134 | D132-K136 WeakPolarHBondContact O-CE 3.33Å; D132-K136 WeakPolarHBondContact OD1-CE 3.25Å; D132-K136 IonicContact OD1-NZ 2.72Å; D132-K136 PolarHBondContact OD1-NZ 3.34Å; F134-K136 PolarHBondContact O-N 3.46Å; F134-K136 VanDerWaalsContact O-N 3.12Å |
| 137 | Y | 90.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 62 Ų | 62 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -18.6 | -178 | -51.9 | -71.1 | 0 | 0 | 0 | 113.5 | V133 F134 S135 A171 R174 A175 | V133-Y137 WeakPolarHBondContact O-CE2 3.48Å; F134-Y137 HydrophobicContact CD1-CD2 4.28Å; F134-Y137 HydrophobicContact CD1-CE2 4.39Å; F134-Y137 PolarHBondContact O-N 3.48Å; S135-Y137 VanDerWaalsContact C-N 3.27Å; Y137-A171 HydrophobicContact CD2-CB 3.74Å; Y137-A171 HydrophobicContact CG-CB 3.8Å; Y137-R174 HydrophobicContact CD1-CB 4.4Å; Y137-R174 HydrophobicContact CE1-CB 3.59Å; Y137-R174 HydrophobicContact CE1-CG 4.3Å; Y137-A175 HydrophobicContact CE2-CB 4.1Å |
| 138 | G | 90.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 165.1 | 174.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 139 | P | 92.9 | Very high | 89.5 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | trans | -67.4 | 136.6 | 179 | 28.8 | -36 | 0 | 0 | 0 | 112.5 | E163 D167 | P139-E163 HydrophobicContact CB-CG 4.3Å; P139-E163 WeakPolarHBondContact CB-OE2 3.46Å; P139-E163 HydrophobicContact CG-CB 4.24Å; P139-E163 HydrophobicContact CG-CG 4.39Å; P139-E163 PolarHBondContact O-N 3.22Å; P139-E163 VanDerWaalsContact O-N 3.15Å; P139-D167 WeakPolarHBondContact CD-OD2 3.41Å | ||
| 140 | L | 92.1 | Very high | 88.8 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.131 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.6 | -177.4 | -63.5 | 177.8 | 0 | 0 | 0 | 110.4 | R131 F134 V143 V160 Y161 F162 | R131-L140 HydrophobicContact CB-CD1 4.36Å; R131-L140 HydrophobicContact CG-CD1 3.82Å; F134-L140 HydrophobicContact CB-CD1 4.03Å; F134-L140 HydrophobicContact CB-CD2 4.17Å; L140-V143 HydrophobicContact CD1-CG2 4.24Å; L140-V160 HydrophobicContact CD2-CG1 3.5Å; L140-Y161 CarbonylContact C-O 3.59Å; L140-F162 HydrophobicContact CD2-CD1 3.67Å; L140-F162 HydrophobicContact CD2-CD2 4.1Å; L140-F162 HydrophobicContact CD2-CE1 3.45Å; L140-F162 VanDerWaalsContact CD2-CE1 3.45Å; L140-F162 HydrophobicContact CD2-CE2 3.89Å; L140-F162 HydrophobicContact CD2-CG 3.99Å; L140-F162 HydrophobicContact CD2-CZ 3.57Å |
| 141 | A | 91.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y161 E163 | A141-Y161 PolarHBondContact N-O 2.88Å; A141-E163 HydrophobicContact CB-CG 4.17Å |
| 142 | D | 89.3 | Confident | 87.6 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 154.7 | -177.2 | -166 | 7.3 | 0 | 0 | 0 | 111.4 | Y161 | D142-Y161 HydrophobicContact CB-CD2 3.85Å; D142-Y161 HydrophobicContact CB-CG 4.36Å; D142-Y161 PolarHBondContact N-O 3.15Å; D142-Y161 PolarHBondContact O-N 2.98Å |
| 143 | V | 90.8 | Very high | 87.1 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 124 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | E127 L130 L140 V160 | E127-V143 HydrophobicContact CB-CG1 4.37Å; E127-V143 HydrophobicContact CG-CG1 4.2Å; L130-V143 HydrophobicContact CB-CG1 4.01Å; L130-V143 HydrophobicContact CD1-CG1 4.09Å; L140-V143 HydrophobicContact CD1-CG2 4.24Å; V143-V160 HydrophobicContact CG1-CG2 4.36Å; V143-V160 HydrophobicContact CG2-CG1 4.4Å |
| 144 | C | 89.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 69 Ų | 69 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 114.1 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | A158 F159 | C144-A158 CarbonylContact O-C 3.36Å; C144-A158 WeakPolarHBondContact O-CA 3.33Å; C144-F159 PolarHBondContact N-O 2.89Å; C144-F159 PolarHBondContact O-N 3.06Å |
| 145 | I | 90.1 | Very high | 86.6 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.5 | 170 | -74.4 | 176.4 | 0 | 0 | 0 | 110 | T125 T126 E127 L130 Y147 A158 | T125-I145 WeakPolarHBondContact O-CD1 3.5Å; T126-I145 VanDerWaalsContact C-CD1 3.48Å; E127-I145 HydrophobicContact CG-CB 3.99Å; E127-I145 HydrophobicContact CG-CD1 3.79Å; E127-I145 HydrophobicContact CG-CG1 3.64Å; E127-I145 PolarHBondContact OE1-N 2.58Å; E127-I145 VanDerWaalsContact OE1-N 3.09Å; L130-I145 HydrophobicContact CD1-CD1 3.82Å; L130-I145 HydrophobicContact CD1-CG1 3.7Å; I145-Y147 HydrophobicContact CB-CD2 4.45Å; I145-Y147 HydrophobicContact CB-CE2 3.72Å; I145-Y147 HydrophobicContact CG2-CD1 4.2Å; I145-Y147 HydrophobicContact CG2-CD2 4.06Å; I145-Y147 HydrophobicContact CG2-CE1 3.78Å; I145-Y147 HydrophobicContact CG2-CE2 3.63Å; I145-Y147 HydrophobicContact CG2-CG 4.33Å; I145-Y147 VanDerWaalsContact CG2-CZ 3.47Å; I145-Y147 VanDerWaalsContact O-CD2 3.29Å; I145-Y147 WeakPolarHBondContact O-CD2 3.13Å; I145-Y147 WeakPolarHBondContact O-CE2 3.36Å; I145-Y147 PolarHBondContact O-N 3.21Å; I145-A158 HydrophobicContact CG1-CB 3.82Å |
| 146 | V | 87.2 | Confident | 86.5 | Confident | 35 Ų | 35 | 71 Ų | 71 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 104.2 | 176.3 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | R155 F157 F159 | V146-R155 VanDerWaalsContact O-CB 3.25Å; V146-R155 WeakPolarHBondContact O-CB 3.35Å; V146-R155 WeakPolarHBondContact O-CG 3.29Å; V146-R155 PolarHBondContact O-N 2.97Å; V146-F157 HydrophobicContact CB-CD2 3.99Å; V146-F157 HydrophobicContact CB-CE1 4.48Å; V146-F157 HydrophobicContact CB-CE2 3.51Å; V146-F157 HydrophobicContact CB-CZ 3.78Å; V146-F157 HydrophobicContact CG1-CE2 3.88Å; V146-F157 HydrophobicContact CG1-CZ 3.75Å; V146-F157 HydrophobicContact CG2-CD2 3.88Å; V146-F157 HydrophobicContact CG2-CE2 3.45Å; V146-F157 VanDerWaalsContact CG2-CE2 3.45Å; V146-F157 HydrophobicContact CG2-CZ 4.19Å; V146-F157 PolarHBondContact N-O 2.81Å; V146-F157 VanDerWaalsContact N-O 3.15Å; V146-F159 HydrophobicContact CG2-CD2 3.98Å; V146-F159 HydrophobicContact CG2-CE2 3.88Å |
| 147 | Y | 86.4 | Confident | 86.4 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 146.5 | 173.4 | -56.4 | -88.3 | 0 | 0 | 0 | 111.4 | E127 I145 R153 | E127-Y147 PolarHBondContact OE2-OH 2.83Å; I145-Y147 HydrophobicContact CB-CD2 4.45Å; I145-Y147 HydrophobicContact CB-CE2 3.72Å; I145-Y147 HydrophobicContact CG2-CD1 4.2Å; I145-Y147 HydrophobicContact CG2-CD2 4.06Å; I145-Y147 HydrophobicContact CG2-CE1 3.78Å; I145-Y147 HydrophobicContact CG2-CE2 3.63Å; I145-Y147 HydrophobicContact CG2-CG 4.33Å; I145-Y147 VanDerWaalsContact CG2-CZ 3.47Å; I145-Y147 VanDerWaalsContact O-CD2 3.29Å; I145-Y147 WeakPolarHBondContact O-CD2 3.13Å; I145-Y147 WeakPolarHBondContact O-CE2 3.36Å; I145-Y147 PolarHBondContact O-N 3.21Å; Y147-R153 WeakPolarHBondContact CA-O 3.12Å |
| 148 | D | 83.7 | Confident | 86.4 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | trans | -75.9 | 136.3 | 166.3 | 171.5 | 49.3 | 0 | 0 | 0 | 109.7 | Q150 S151 R152 R153 R155 | D148-Q150 PolarHBondContact OD2-N 3.41Å; D148-S151 WeakPolarHBondContact OD2-CB 3.32Å; D148-S151 PolarHBondContact OD2-N 2.93Å; D148-S151 PolarHBondContact OD2-OG 3.28Å; D148-R152 WeakPolarHBondContact O-CA 3.18Å; D148-R152 PolarHBondContact O-N 3.2Å; D148-R153 PolarHBondContact N-O 3.41Å; D148-R155 HydrophobicContact CB-CG 3.93Å | ||
| 149 | Q | 73.3 | Confident | 86.5 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -25.1 | -173.2 | -172.7 | -110.8 | -13.9 | 0 | 0 | 112.9 | I202 | Q149-I202 HydrophobicContact CB-CG1 4.48Å; Q149-I202 HydrophobicContact CB-CG2 4.29Å; Q149-I202 VanDerWaalsContact CD-CG1 3.45Å; Q149-I202 HydrophobicContact CG-CD1 4.44Å; Q149-I202 HydrophobicContact CG-CG1 3.88Å; Q149-I202 HydrophobicContact CG-CG2 4.46Å |
| 150 | Q | 77.2 | Confident | 86.4 | Confident | 177 Ų | 177 | 62.7 Ų | 62.7 | 83% | 0.827 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -48 | 178.5 | -65 | -172.4 | -1.8 | 0 | 0 | 111.6 | D148 | D148-Q150 PolarHBondContact OD2-N 3.41Š|
| 151 | S | 80.3 | Confident | 86.4 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 43% | 0.434 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.3 | -178 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | D148 R153 | D148-S151 WeakPolarHBondContact OD2-CB 3.32Å; D148-S151 PolarHBondContact OD2-N 2.93Å; D148-S151 PolarHBondContact OD2-OG 3.28Å; S151-R153 WeakPolarHBondContact O-CG 3.49Å; S151-R153 PolarHBondContact O-N 3.16Å; S151-R153 VanDerWaalsContact O-N 3.09Å; S151-R153 PolarHBondContact OG-N 3.18Å |
| 152 | R | 78.2 | Confident | 86.5 | Confident | 207 Ų | 207 | 59.7 Ų | 59.7 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | trans | 57.6 | 9.7 | -169.1 | -68.4 | -66.6 | -155.5 | 161.5 | 7.2 | 115 | D148 | D148-R152 WeakPolarHBondContact O-CA 3.18Å; D148-R152 PolarHBondContact O-N 3.2Å | ||
| 153 | R | 81.8 | Confident | 86.6 | Confident | 140 Ų | 140 | 62.1 Ų | 62.1 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | trans | -85.8 | 149.9 | -179.9 | -57.6 | 178.6 | 79.3 | -177.9 | 8.2 | 110.7 | Y147 D148 S151 | Y147-R153 WeakPolarHBondContact CA-O 3.12Å; D148-R153 PolarHBondContact N-O 3.41Å; S151-R153 WeakPolarHBondContact O-CG 3.49Å; S151-R153 PolarHBondContact O-N 3.16Å; S151-R153 VanDerWaalsContact O-N 3.09Å; S151-R153 PolarHBondContact OG-N 3.18Å | ||
| 154 | S | 86.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 140.1 | 168.3 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L123 G156 | L123-S154 WeakPolarHBondContact CD2-O 3.35Å; S154-G156 PolarHBondContact O-N 3.32Å; S154-G156 PolarHBondContact OG-N 2.72Å; S154-G156 VanDerWaalsContact OG-N 3.14Å |
| 155 | R | 84.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 4.5 | 173.5 | -62.8 | -178 | 66.6 | -170 | -3.5 | 113.2 | V146 D148 F157 | V146-R155 VanDerWaalsContact O-CB 3.25Å; V146-R155 WeakPolarHBondContact O-CB 3.35Å; V146-R155 WeakPolarHBondContact O-CG 3.29Å; V146-R155 PolarHBondContact O-N 2.97Å; D148-R155 HydrophobicContact CB-CG 3.93Å; R155-F157 VanDerWaalsContact C-N 3.33Å; R155-F157 HydrophobicContact CB-CD1 3.65Å; R155-F157 HydrophobicContact CB-CE1 3.39Å; R155-F157 HydrophobicContact CB-CZ 4.28Å; R155-F157 HydrophobicContact CG-CE1 4.25Å |
| 156 | G | 87.9 | Confident | 86.7 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.7 | 22.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G120 L121 S154 | G120-G156 PolarHBondContact N-O 2.97Å; L121-G156 PolarHBondContact N-O 2.91Å; S154-G156 PolarHBondContact O-N 3.32Å; S154-G156 PolarHBondContact OG-N 2.72Å; S154-G156 VanDerWaalsContact OG-N 3.14Å |
| 157 | F | 90.6 | Very high | 86.9 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 151.9 | 171.7 | 68.6 | -90.7 | 0 | 0 | 0 | 112.7 | V118 F119 V146 R155 F159 | V118-F157 CarbonylContact O-C 3.54Å; V118-F157 WeakPolarHBondContact O-CA 3.38Å; V118-F157 VanDerWaalsContact O-CB 3.29Å; V118-F157 WeakPolarHBondContact O-CB 3.49Å; F119-F157 HydrophobicContact CD1-CB 3.89Å; F119-F157 HydrophobicContact CE1-CB 4.45Å; V146-F157 HydrophobicContact CB-CD2 3.99Å; V146-F157 HydrophobicContact CB-CE1 4.48Å; V146-F157 HydrophobicContact CB-CE2 3.51Å; V146-F157 HydrophobicContact CB-CZ 3.78Å; V146-F157 HydrophobicContact CG1-CE2 3.88Å; V146-F157 HydrophobicContact CG1-CZ 3.75Å; V146-F157 HydrophobicContact CG2-CD2 3.88Å; V146-F157 HydrophobicContact CG2-CE2 3.45Å; V146-F157 VanDerWaalsContact CG2-CE2 3.45Å; V146-F157 HydrophobicContact CG2-CZ 4.19Å; V146-F157 PolarHBondContact N-O 2.81Å; V146-F157 VanDerWaalsContact N-O 3.15Å; R155-F157 VanDerWaalsContact C-N 3.33Å; R155-F157 HydrophobicContact CB-CD1 3.65Å; R155-F157 HydrophobicContact CB-CE1 3.39Å; R155-F157 HydrophobicContact CB-CZ 4.28Å; R155-F157 HydrophobicContact CG-CE1 4.25Å; F157-F159 HydrophobicContact CD2-CE2 4.21Å; F157-F159 HydrophobicContact CE2-CE2 4.05Å; F157-F159 HydrophobicContact CE2-CZ 4.45Å |
| 158 | A | 91.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | V118 L121 L130 C144 I145 | V118-A158 PolarHBondContact N-O 3.14Å; V118-A158 PolarHBondContact O-N 3.38Å; L121-A158 HydrophobicContact CD1-CB 3.68Å; L130-A158 HydrophobicContact CD1-CB 3.42Å; L130-A158 VanDerWaalsContact CD1-CB 3.42Å; C144-A158 CarbonylContact O-C 3.36Å; C144-A158 WeakPolarHBondContact O-CA 3.33Å; I145-A158 HydrophobicContact CG1-CB 3.82Å |
| 159 | F | 91.7 | Very high | 87.4 | Confident | 31 Ų | 31 | 69 Ų | 69 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.9 | 168.2 | -64.3 | -77.6 | 0 | 0 | 0 | 109.4 | L116 C144 V146 F157 Y161 | L116-F159 WeakPolarHBondContact O-CA 3.29Å; C144-F159 PolarHBondContact N-O 2.89Å; C144-F159 PolarHBondContact O-N 3.06Å; V146-F159 HydrophobicContact CG2-CD2 3.98Å; V146-F159 HydrophobicContact CG2-CE2 3.88Å; F157-F159 HydrophobicContact CD2-CE2 4.21Å; F157-F159 HydrophobicContact CE2-CE2 4.05Å; F157-F159 HydrophobicContact CE2-CZ 4.45Å; F159-Y161 HydrophobicContact CB-CE2 3.84Å |
| 160 | V | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.7 | 178 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | C115 L116 V118 F134 L140 V143 F162 | C115-V160 CarbonylContact C-O 3.55Å; C115-V160 WeakPolarHBondContact CA-O 3.48Å; L116-V160 PolarHBondContact N-O 2.9Å; L116-V160 PolarHBondContact O-N 2.93Å; V118-V160 HydrophobicContact CG2-CG2 3.86Å; F134-V160 HydrophobicContact CB-CG1 4.21Å; F134-V160 HydrophobicContact CD2-CG2 4.1Å; F134-V160 HydrophobicContact CE2-CG2 4.4Å; F134-V160 HydrophobicContact CG-CG1 4.35Å; F134-V160 HydrophobicContact CG-CG2 4.44Å; L140-V160 HydrophobicContact CD2-CG1 3.5Å; V143-V160 HydrophobicContact CG1-CG2 4.36Å; V143-V160 HydrophobicContact CG2-CG1 4.4Å; V160-F162 HydrophobicContact CB-CE2 4.44Å; V160-F162 HydrophobicContact CG1-CD2 4.07Å; V160-F162 HydrophobicContact CG1-CE2 3.58Å; V160-F162 HydrophobicContact CG1-CZ 4.2Å |
| 161 | Y | 91.3 | Very high | 88.9 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.7 | 178.3 | -56.1 | -90.9 | 0 | 0 | 0 | 108.5 | A114 C115 L140 A141 D142 F159 P195 H196 | A114-Y161 WeakPolarHBondContact O-CA 3.43Å; C115-Y161 HydrophobicContact CB-CD1 3.76Å; C115-Y161 HydrophobicContact CB-CE1 3.82Å; C115-Y161 WeakPolarHBondContact SG-CE1 3.4Å; L140-Y161 CarbonylContact C-O 3.59Å; A141-Y161 PolarHBondContact N-O 2.88Å; D142-Y161 HydrophobicContact CB-CD2 3.85Å; D142-Y161 HydrophobicContact CB-CG 4.36Å; D142-Y161 PolarHBondContact N-O 3.15Å; D142-Y161 PolarHBondContact O-N 2.98Å; F159-Y161 HydrophobicContact CB-CE2 3.84Å; Y161-P195 VanDerWaalsContact CE1-CA 3.43Å; Y161-P195 HydrophobicContact CE1-CB 4.25Å; Y161-H196 PolarHBondContact OH-N 3.44Å; Y161-H196 VanDerWaalsContact OH-N 3.09Å |
| 162 | F | 92.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 159.7 | 171.7 | -72.8 | -97.8 | 0 | 0 | 0 | 110.1 | A114 L116 F134 L140 V160 N164 D167 A168 A171 | A114-F162 HydrophobicContact CB-CB 4.46Å; A114-F162 WeakPolarHBondContact CB-O 3.44Å; A114-F162 PolarHBondContact O-N 3.09Å; L116-F162 HydrophobicContact CD1-CD2 4.3Å; L116-F162 HydrophobicContact CD1-CE2 3.63Å; L116-F162 HydrophobicContact CD1-CZ 4.41Å; L116-F162 HydrophobicContact CG-CD2 4.34Å; L116-F162 HydrophobicContact CG-CE2 4.09Å; F134-F162 HydrophobicContact CB-CZ 4.09Å; F134-F162 HydrophobicContact CD1-CZ 4.13Å; L140-F162 HydrophobicContact CD2-CD1 3.67Å; L140-F162 HydrophobicContact CD2-CD2 4.1Å; L140-F162 HydrophobicContact CD2-CE1 3.45Å; L140-F162 VanDerWaalsContact CD2-CE1 3.45Å; L140-F162 HydrophobicContact CD2-CE2 3.89Å; L140-F162 HydrophobicContact CD2-CG 3.99Å; L140-F162 HydrophobicContact CD2-CZ 3.57Å; V160-F162 HydrophobicContact CB-CE2 4.44Å; V160-F162 HydrophobicContact CG1-CD2 4.07Å; V160-F162 HydrophobicContact CG1-CE2 3.58Å; V160-F162 HydrophobicContact CG1-CZ 4.2Å; F162-N164 WeakPolarHBondContact CB-O 3.37Å; F162-D167 HydrophobicContact CD1-CB 4.01Å; F162-A168 HydrophobicContact CB-CB 4.14Å; F162-A168 HydrophobicContact CD2-CB 3.8Å; F162-A168 HydrophobicContact CE2-CB 4.48Å; F162-A168 HydrophobicContact CG-CB 4.02Å; F162-A171 HydrophobicContact CE1-CB 4.18Å; F162-A171 HydrophobicContact CE2-CB 4.09Å; F162-A171 HydrophobicContact CZ-CB 3.54Å |
| 163 | E | 91.4 | Very high | 90 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -72.9 | -40.7 | 167.5 | -59.3 | -163.3 | 97.7 | 0 | 0 | 111 | P139 A141 | P139-E163 HydrophobicContact CB-CG 4.3Å; P139-E163 WeakPolarHBondContact CB-OE2 3.46Å; P139-E163 HydrophobicContact CG-CB 4.24Å; P139-E163 HydrophobicContact CG-CG 4.39Å; P139-E163 PolarHBondContact O-N 3.22Å; P139-E163 VanDerWaalsContact O-N 3.15Å; A141-E163 HydrophobicContact CB-CG 4.17Å |
| 164 | N | 91.1 | Very high | 90.4 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | trans | -105.1 | 145.3 | -178.5 | -54.9 | -54.9 | 0 | 0 | 0 | 113 | F162 D167 A168 | F162-N164 WeakPolarHBondContact CB-O 3.37Å; N164-D167 HydrophobicContact CB-CB 4.32Å; N164-D167 WeakPolarHBondContact CB-OD2 3.35Å; N164-D167 PolarHBondContact ND2-OD2 3Å; N164-A168 PolarHBondContact O-N 2.81Å | ||
| 165 | T | 90.1 | Very high | 90.4 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75.9 | -24.9 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | A114 K169 | A114-T165 HydrophobicContact CB-CG2 4.06Å; T165-K169 PolarHBondContact O-N 2.95Å |
| 166 | A | 90.9 | Very high | 90.7 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -51.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | A168 K169 E170 | A166-A168 VanDerWaalsContact C-N 3.3Å; A166-A168 PolarHBondContact O-N 3.17Å; A166-K169 WeakPolarHBondContact O-CA 3.13Å; A166-K169 VanDerWaalsContact O-CB 3.31Å; A166-K169 WeakPolarHBondContact O-CB 3.35Å; A166-K169 PolarHBondContact O-N 2.88Å; A166-E170 PolarHBondContact O-N 2.77Å |
| 167 | D | 91.6 | Very high | 90.6 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 178.8 | -49.9 | -7.4 | 0 | 0 | 0 | 111 | P139 F162 N164 K169 E170 A171 | P139-D167 WeakPolarHBondContact CD-OD2 3.41Å; F162-D167 HydrophobicContact CD1-CB 4.01Å; N164-D167 HydrophobicContact CB-CB 4.32Å; N164-D167 WeakPolarHBondContact CB-OD2 3.35Å; N164-D167 PolarHBondContact ND2-OD2 3Å; D167-K169 VanDerWaalsContact C-N 3.28Å; D167-K169 PolarHBondContact O-N 2.79Å; D167-E170 PolarHBondContact O-N 2.66Å; D167-A171 VanDerWaalsContact O-CB 3.26Å; D167-A171 WeakPolarHBondContact O-CB 3.22Å; D167-A171 PolarHBondContact O-N 2.82Å |
| 168 | A | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N113 L116 F162 N164 A166 K172 | N113-A168 WeakPolarHBondContact O-CB 3.43Å; L116-A168 HydrophobicContact CD1-CB 4.46Å; L116-A168 WeakPolarHBondContact CD1-O 3.29Å; L116-A168 HydrophobicContact CD2-CB 4.18Å; L116-A168 HydrophobicContact CG-CB 4.23Å; F162-A168 HydrophobicContact CB-CB 4.14Å; F162-A168 HydrophobicContact CD2-CB 3.8Å; F162-A168 HydrophobicContact CE2-CB 4.48Å; F162-A168 HydrophobicContact CG-CB 4.02Å; N164-A168 PolarHBondContact O-N 2.81Å; A166-A168 VanDerWaalsContact C-N 3.3Å; A166-A168 PolarHBondContact O-N 3.17Å; A168-K172 WeakPolarHBondContact O-CB 3.32Å; A168-K172 PolarHBondContact O-N 2.92Å |
| 169 | K | 90.9 | Very high | 90.4 | Very high | 141 Ų | 141 | 62.1 Ų | 62.1 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.1 | -43.4 | 175.4 | -177.1 | -171.3 | 173.6 | -165.9 | 0 | 111.4 | T165 A166 D167 K172 D173 F189 | T165-K169 PolarHBondContact O-N 2.95Å; A166-K169 WeakPolarHBondContact O-CA 3.13Å; A166-K169 VanDerWaalsContact O-CB 3.31Å; A166-K169 WeakPolarHBondContact O-CB 3.35Å; A166-K169 PolarHBondContact O-N 2.88Å; D167-K169 VanDerWaalsContact C-N 3.28Å; D167-K169 PolarHBondContact O-N 2.79Å; K169-K172 PolarHBondContact O-N 3.31Å; K169-D173 PolarHBondContact O-N 3.25Å; K169-D173 VanDerWaalsContact O-N 3.16Å; K169-F189 HydrophobicContact CB-CZ 3.99Å; K169-F189 HydrophobicContact CG-CZ 4.15Å |
| 170 | E | 91.4 | Very high | 90.1 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.3 | -177.5 | 167.5 | 108.7 | 0 | 0 | 111.6 | A166 D167 K172 D173 R174 | A166-E170 PolarHBondContact O-N 2.77Å; D167-E170 PolarHBondContact O-N 2.66Å; E170-K172 VanDerWaalsContact C-N 3.35Å; E170-K172 PolarHBondContact O-N 3.2Å; E170-D173 PolarHBondContact O-N 3.12Å; E170-R174 HydrophobicContact CG-CG 4.47Å; E170-R174 PolarHBondContact O-N 2.95Å; E170-R174 IonicContact OE1-CZ 3.2Å; E170-R174 IonicContact OE1-NH1 2.66Å; E170-R174 PolarHBondContact OE1-NH1 3.37Å; E170-R174 IonicContact OE1-NH2 3.31Å; E170-R174 PolarHBondContact OE1-NH2 3.34Å; E170-R174 IonicContact OE2-CZ 3.4Å; E170-R174 IonicContact OE2-NH1 3.66Å; E170-R174 IonicContact OE2-NH2 2.77Å; E170-R174 PolarHBondContact OE2-NH2 3.24Å |
| 171 | A | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L116 F134 Y137 F162 D167 A175 | L116-A171 HydrophobicContact CD1-CB 3.83Å; F134-A171 HydrophobicContact CD1-CB 4.32Å; Y137-A171 HydrophobicContact CD2-CB 3.74Å; Y137-A171 HydrophobicContact CG-CB 3.8Å; F162-A171 HydrophobicContact CE1-CB 4.18Å; F162-A171 HydrophobicContact CE2-CB 4.09Å; F162-A171 HydrophobicContact CZ-CB 3.54Å; D167-A171 VanDerWaalsContact O-CB 3.26Å; D167-A171 WeakPolarHBondContact O-CB 3.22Å; D167-A171 PolarHBondContact O-N 2.82Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.43Å |
| 172 | K | 90.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 173.1 | 175.4 | -179.2 | 168.3 | 170.7 | 0 | 111 | N109 L116 A168 K169 E170 N176 V187 D188 F189 | N109-K172 PolarHBondContact OD1-NZ 2.99Å; L116-K172 HydrophobicContact CD1-CB 4.41Å; L116-K172 HydrophobicContact CD2-CB 4.21Å; A168-K172 WeakPolarHBondContact O-CB 3.32Å; A168-K172 PolarHBondContact O-N 2.92Å; K169-K172 PolarHBondContact O-N 3.31Å; E170-K172 VanDerWaalsContact C-N 3.35Å; E170-K172 PolarHBondContact O-N 3.2Å; K172-N176 WeakPolarHBondContact O-CB 3.31Å; K172-N176 PolarHBondContact O-N 2.96Å; K172-V187 HydrophobicContact CB-CG1 4.35Å; K172-D188 WeakPolarHBondContact CE-OD2 2.98Å; K172-D188 IonicContact NZ-OD2 2.72Å; K172-D188 PolarHBondContact NZ-OD2 3.07Å; K172-F189 HydrophobicContact CD-CD2 3.68Å; K172-F189 HydrophobicContact CD-CE1 4.4Å; K172-F189 HydrophobicContact CD-CE2 3.54Å; K172-F189 HydrophobicContact CD-CG 4.16Å; K172-F189 HydrophobicContact CD-CZ 3.92Å |
| 173 | D | 89.9 | Confident | 89.3 | Confident | 134 Ų | 134 | 72.5 Ų | 72.5 | 72% | 0.717 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.6 | -48.5 | -174.4 | -165.2 | -106.5 | 0 | 0 | 0 | 111.8 | K169 E170 | K169-D173 PolarHBondContact O-N 3.25Å; K169-D173 VanDerWaalsContact O-N 3.16Å; E170-D173 PolarHBondContact O-N 3.12Å |
| 174 | R | 89.8 | Confident | 89.3 | Confident | 145 Ų | 145 | 74.7 Ų | 74.7 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -78.3 | -35.7 | -176.5 | -66.9 | -170.9 | -177.2 | 142.8 | 18.2 | 114.8 | Y137 E170 | Y137-R174 HydrophobicContact CD1-CB 4.4Å; Y137-R174 HydrophobicContact CE1-CB 3.59Å; Y137-R174 HydrophobicContact CE1-CG 4.3Å; E170-R174 HydrophobicContact CG-CG 4.47Å; E170-R174 PolarHBondContact O-N 2.95Å; E170-R174 IonicContact OE1-CZ 3.2Å; E170-R174 IonicContact OE1-NH1 2.66Å; E170-R174 PolarHBondContact OE1-NH1 3.37Å; E170-R174 IonicContact OE1-NH2 3.31Å; E170-R174 PolarHBondContact OE1-NH2 3.34Å; E170-R174 IonicContact OE2-CZ 3.4Å; E170-R174 IonicContact OE2-NH1 3.66Å; E170-R174 IonicContact OE2-NH2 2.77Å; E170-R174 PolarHBondContact OE2-NH2 3.24Å |
| 175 | A | 87.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -88.5 | -13.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F134 Y137 A171 G177 M178 I185 V187 | F134-A175 HydrophobicContact CE1-CB 3.67Å; F134-A175 HydrophobicContact CZ-CB 4.09Å; Y137-A175 HydrophobicContact CE2-CB 4.1Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.43Å; A175-G177 PolarHBondContact O-N 3.29Å; A175-M178 VanDerWaalsContact O-CB 3.32Å; A175-M178 WeakPolarHBondContact O-CB 3.34Å; A175-M178 PolarHBondContact O-N 2.9Å; A175-I185 WeakPolarHBondContact O-CG1 3.37Å; A175-V187 HydrophobicContact CB-CG2 4.02Å |
| 176 | N | 90 | Very high | 89.4 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 43% | 0.433 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 115.2 | 177.4 | 176.8 | 57.4 | 0 | 0 | 0 | 111.7 | K172 R186 V187 | K172-N176 WeakPolarHBondContact O-CB 3.31Å; K172-N176 PolarHBondContact O-N 2.96Å; N176-R186 WeakPolarHBondContact OD1-CG 3.45Å; N176-V187 HydrophobicContact CB-CB 4.26Å; N176-V187 PolarHBondContact OD1-N 3.3Å |
| 177 | G | 86.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -3.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A175 R184 I185 | A175-G177 PolarHBondContact O-N 3.29Å; G177-R184 PolarHBondContact O-NE 2.77Å; G177-I185 VanDerWaalsContact CA-O 3.23Å; G177-I185 WeakPolarHBondContact CA-O 3.26Å; G177-I185 PolarHBondContact N-O 2.81Å |
| 178 | M | 88.2 | Confident | 89.3 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | trans | -60.6 | 149.8 | 173.7 | -173.9 | 177.5 | -174 | 0 | 0 | 111.1 | V133 A175 R184 I185 | V133-M178 HydrophobicContact CG1-SD 4.1Å; A175-M178 VanDerWaalsContact O-CB 3.32Å; A175-M178 WeakPolarHBondContact O-CB 3.34Å; A175-M178 PolarHBondContact O-N 2.9Å; M178-R184 CarbonylContact O-C 3.54Å; M178-R184 WeakPolarHBondContact O-CA 3.41Å; M178-I185 HydrophobicContact CB-CD1 4.32Å; M178-I185 HydrophobicContact CB-CG1 4.25Å; M178-I185 PolarHBondContact O-N 3.44Å | ||
| 179 | E | 89.1 | Confident | 89.2 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.6 | 173.6 | -165 | 165.3 | 109.2 | 0 | 0 | 111.6 | R183 | E179-R183 WeakPolarHBondContact CA-O 3.49Å |
| 180 | L | 86.5 | Confident | 88.7 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.1 | 176.2 | -171.7 | 66.2 | 0 | 0 | 0 | 108.3 | L121 T125 L130 V133 G182 R183 I185 | L121-L180 HydrophobicContact CD2-CD2 4.03Å; T125-L180 HydrophobicContact CG2-CD2 3.66Å; T125-L180 HydrophobicContact CG2-CG 4.38Å; L130-L180 HydrophobicContact CD2-CD2 3.98Å; V133-L180 HydrophobicContact CG2-CD1 3.94Å; L180-G182 PolarHBondContact O-N 3.43Å; L180-R183 PolarHBondContact N-O 2.89Å; L180-R183 PolarHBondContact O-N 3.3Å; L180-R183 VanDerWaalsContact O-O 3.09Å; L180-I185 HydrophobicContact CB-CG2 3.72Å; L180-I185 HydrophobicContact CD2-CG2 4.41Å |
| 181 | D | 84.7 | Confident | 87.8 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.3 | -177.2 | -66.9 | -62.1 | 0 | 0 | 0 | 113.8 | T125 R183 | T125-D181 WeakPolarHBondContact CA-OD2 3.42Å; T125-D181 WeakPolarHBondContact CB-OD2 3.49Å; T125-D181 PolarHBondContact OG1-OD2 2.73Å; D181-R183 VanDerWaalsContact C-N 3.28Å; D181-R183 PolarHBondContact O-N 3.17Å |
| 182 | G | 85.6 | Confident | 86.6 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 20.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L180 | L180-G182 PolarHBondContact O-N 3.43Š|
| 183 | R | 88.1 | Confident | 85.4 | Confident | 111 Ų | 111 | 72.6 Ų | 72.6 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.7 | 175.8 | -68.9 | -173.6 | 174.4 | -179.1 | -4.5 | 112.3 | G120 L121 E179 L180 D181 I185 | G120-R183 WeakPolarHBondContact O-CB 3.37Å; L121-R183 PolarHBondContact O-NH1 3.29Å; E179-R183 WeakPolarHBondContact CA-O 3.49Å; L180-R183 PolarHBondContact N-O 2.89Å; L180-R183 PolarHBondContact O-N 3.3Å; L180-R183 VanDerWaalsContact O-O 3.09Å; D181-R183 VanDerWaalsContact C-N 3.28Å; D181-R183 PolarHBondContact O-N 3.17Å; R183-I185 PolarHBondContact O-N 3.09Å |
| 184 | R | 91 | Very high | 84.1 | Confident | 182 Ų | 182 | 76 Ų | 76 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 115.6 | 174.4 | -62.6 | -173.6 | 65.5 | -155.3 | 0.6 | 110.8 | G177 M178 | G177-R184 PolarHBondContact O-NE 2.77Å; M178-R184 CarbonylContact O-C 3.54Å; M178-R184 WeakPolarHBondContact O-CA 3.41Å |
| 185 | I | 92.5 | Very high | 82.7 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | trans | -82.5 | 147.6 | 178.5 | 77 | -178.6 | 0 | 0 | 0 | 110.1 | V118 F119 L121 F134 A175 G177 M178 L180 R183 V187 | V118-I185 HydrophobicContact CG1-CB 4.25Å; V118-I185 HydrophobicContact CG1-CD1 4.22Å; F119-I185 CarbonylContact O-C 3.43Å; F119-I185 WeakPolarHBondContact O-CA 3.25Å; L121-I185 HydrophobicContact CD2-CB 4.49Å; L121-I185 HydrophobicContact CD2-CG2 3.79Å; F134-I185 HydrophobicContact CZ-CD1 4.16Å; A175-I185 WeakPolarHBondContact O-CG1 3.37Å; G177-I185 VanDerWaalsContact CA-O 3.23Å; G177-I185 WeakPolarHBondContact CA-O 3.26Å; G177-I185 PolarHBondContact N-O 2.81Å; M178-I185 HydrophobicContact CB-CD1 4.32Å; M178-I185 HydrophobicContact CB-CG1 4.25Å; M178-I185 PolarHBondContact O-N 3.44Å; L180-I185 HydrophobicContact CB-CG2 3.72Å; L180-I185 HydrophobicContact CD2-CG2 4.41Å; R183-I185 PolarHBondContact O-N 3.09Å; I185-V187 HydrophobicContact CD1-CG2 4.22Å; I185-V187 HydrophobicContact CG1-CG2 4.28Å | ||
| 186 | R | 90.8 | Very high | 81.4 | Confident | 150 Ų | 150 | 77.3 Ų | 77.3 | 57% | 0.566 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.4 | 170.7 | -172.2 | -173.9 | 70.2 | -174.7 | 1.6 | 108.8 | F119 N176 | F119-R186 HydrophobicContact CB-CB 4.46Å; F119-R186 PolarHBondContact N-O 3.33Å; F119-R186 PolarHBondContact O-N 3.21Å; N176-R186 WeakPolarHBondContact OD1-CG 3.45Å |
| 187 | V | 91.5 | Very high | 79.7 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.6 | -179 | -172 | 0 | 0 | 0 | 0 | 108.8 | L116 V118 F134 K172 A175 N176 I185 | L116-V187 HydrophobicContact CB-CG1 3.94Å; L116-V187 HydrophobicContact CD1-CG1 3.74Å; L116-V187 HydrophobicContact CG-CG1 4.3Å; V118-V187 HydrophobicContact CG1-CG2 4.32Å; V118-V187 HydrophobicContact CG2-CG2 4.45Å; F134-V187 HydrophobicContact CE1-CG1 4.49Å; F134-V187 HydrophobicContact CE1-CG2 4.22Å; F134-V187 HydrophobicContact CZ-CG2 3.94Å; K172-V187 HydrophobicContact CB-CG1 4.35Å; A175-V187 HydrophobicContact CB-CG2 4.02Å; N176-V187 HydrophobicContact CB-CB 4.26Å; N176-V187 PolarHBondContact OD1-N 3.3Å; I185-V187 HydrophobicContact CD1-CG2 4.22Å; I185-V187 HydrophobicContact CG1-CG2 4.28Å |
| 188 | D | 90.1 | Very high | 78.1 | Confident | 27 Ų | 27 | 82.9 Ų | 82.9 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.7 | 173.5 | -169.1 | -149.9 | 0 | 0 | 0 | 110.7 | P110 L116 G117 K172 | P110-D188 WeakPolarHBondContact CD-OD1 3.45Å; L116-D188 WeakPolarHBondContact CA-O 3.19Å; G117-D188 PolarHBondContact N-O 2.71Å; G117-D188 PolarHBondContact O-N 3.44Å; K172-D188 WeakPolarHBondContact CE-OD2 2.98Å; K172-D188 IonicContact NZ-OD2 2.72Å; K172-D188 PolarHBondContact NZ-OD2 3.07Å |
| 189 | F | 87.9 | Confident | 76.4 | Confident | 16 Ų | 16 | 84 Ų | 84 | 7% | 0.07 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 142.8 | 172.1 | -67.9 | -61.6 | 0 | 0 | 0 | 109.6 | P110 P112 N113 L116 K169 K172 | P110-F189 HydrophobicContact CG-CB 3.91Å; P110-F189 WeakPolarHBondContact CG-O 3.5Å; P112-F189 HydrophobicContact CB-CE1 4.27Å; P112-F189 HydrophobicContact CB-CE2 3.98Å; P112-F189 HydrophobicContact CB-CZ 3.85Å; N113-F189 WeakPolarHBondContact O-CD1 3.09Å; N113-F189 WeakPolarHBondContact O-CE1 3.42Å; N113-F189 WeakPolarHBondContact OD1-CD1 3.35Å; L116-F189 HydrophobicContact CD2-CD1 3.49Å; L116-F189 VanDerWaalsContact CD2-CD1 3.49Å; L116-F189 HydrophobicContact CD2-CE1 3.79Å; L116-F189 HydrophobicContact CD2-CG 4.41Å; K169-F189 HydrophobicContact CB-CZ 3.99Å; K169-F189 HydrophobicContact CG-CZ 4.15Å; K172-F189 HydrophobicContact CD-CD2 3.68Å; K172-F189 HydrophobicContact CD-CE1 4.4Å; K172-F189 HydrophobicContact CD-CE2 3.54Å; K172-F189 HydrophobicContact CD-CG 4.16Å; K172-F189 HydrophobicContact CD-CZ 3.92Å |
| 190 | S | 79.8 | Confident | 74.3 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | trans | -75.1 | 152.4 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | N113 C115 T192 | N113-S190 PolarHBondContact ND2-O 2.84Å; C115-S190 VanDerWaalsContact O-CB 3.25Å; C115-S190 WeakPolarHBondContact O-CB 3.35Å; C115-S190 PolarHBondContact O-N 2.84Å; C115-S190 WeakPolarHBondContact SG-CB 3.4Å; S190-T192 PolarHBondContact O-N 2.78Å; S190-T192 PolarHBondContact OG-N 3.03Å; S190-T192 PolarHBondContact OG-OG1 3.36Å | ||
| 191 | I | 71.6 | Confident | 72.3 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -73.3 | -20.3 | 171.4 | -62.3 | 171.9 | 0 | 0 | 0 | 110.4 | H103 R107 P110 | H103-I191 HydrophobicContact CB-CG2 4.12Å; H103-I191 VanDerWaalsContact CD2-CG2 3.45Å; H103-I191 WeakPolarHBondContact CD2-CG2 3.44Å; R107-I191 HydrophobicContact CG-CD1 4.37Å; P110-I191 HydrophobicContact CB-CG1 4.33Å; P110-I191 HydrophobicContact CG-CG1 4.46Å |
| 192 | T | 66.2 | Low | 70.5 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 30% | 0.301 | 45% | 0.447 | S | S | . | . | trans | -106.3 | 119.8 | -178.6 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | S190 R194 H196 | S190-T192 PolarHBondContact O-N 2.78Å; S190-T192 PolarHBondContact OG-N 3.03Å; S190-T192 PolarHBondContact OG-OG1 3.36Å; T192-R194 PolarHBondContact O-N 2.82Å; T192-H196 PolarHBondContact OG1-CE1 2.64Å; T192-H196 PolarHBondContact OG1-NE2 2.81Å | ||
| 193 | K | 65.8 | Low | 68.6 | Low | 151 Ų | 151 | 90.4 Ų | 90.4 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -79.1 | 7.2 | 176.5 | -56.6 | -172.1 | 178.5 | -172.1 | 0 | 114.6 | N113 | N113-K193 HydrophobicContact CB-CD 4.48Å; N113-K193 HydrophobicContact CB-CG 3.99Å |
| 194 | R | 63.8 | Low | 66.8 | Low | 205 Ų | 205 | 92.9 Ų | 92.9 | 77% | 0.774 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -117.8 | 145.9 | -177.3 | -82.1 | 178.6 | 161.6 | 177.7 | -7.3 | 109.6 | T192 H196 | T192-R194 PolarHBondContact O-N 2.82Å; R194-H196 PolarHBondContact O-N 2.84Å; R194-H196 VanDerWaalsContact O-N 3.12Å |
| 195 | P | 58.6 | Low | 64.8 | Low | 83 Ų | 83 | 86 Ų | 86 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | trans | -52.1 | 122.2 | 161.4 | 24.4 | -32.4 | 0 | 0 | 0 | 108.4 | Y161 T197 | Y161-P195 VanDerWaalsContact CE1-CA 3.43Å; Y161-P195 HydrophobicContact CE1-CB 4.25Å; P195-T197 PolarHBondContact O-N 3.15Å | ||
| 196 | H | 60.9 | Low | 62.7 | Low | 90 Ų | 90 | 96.7 Ų | 96.7 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | trans | -59.9 | 113.2 | 171.7 | -81.6 | -57 | 0 | 0 | 0 | 107.5 | Y161 T192 R194 P198 | Y161-H196 PolarHBondContact OH-N 3.44Å; Y161-H196 VanDerWaalsContact OH-N 3.09Å; T192-H196 PolarHBondContact OG1-CE1 2.64Å; T192-H196 PolarHBondContact OG1-NE2 2.81Å; R194-H196 PolarHBondContact O-N 2.84Å; R194-H196 VanDerWaalsContact O-N 3.12Å; H196-P198 WeakPolarHBondContact O-CD 3.41Å | ||
| 197 | T | 55.6 | Low | 60.2 | Low | 113 Ų | 113 | 94.6 Ų | 94.6 | 69% | 0.693 | 50% | 0.5 | S | S | * | . | trans | -48.7 | 120.2 | 161.9 | -49.5 | 0 | 0 | 0 | 0 | 106.4 | P195 T199 | P195-T197 PolarHBondContact O-N 3.15Å; T197-T199 PolarHBondContact O-N 3.24Å | ||
| 198 | P | 52.1 | Low | 58.1 | Low | 109 Ų | 109 | 101 Ų | 101 | 71% | 0.708 | 54% | 0.539 | S | S | * | . | trans | -58.7 | 108.8 | 179.9 | 22.9 | -32.4 | 0 | 0 | 0 | 106 | H196 P200 | H196-P198 WeakPolarHBondContact O-CD 3.41Å; P198-P200 VanDerWaalsContact O-CD 3.22Å; P198-P200 WeakPolarHBondContact O-CD 3.42Å | ||
| 199 | T | 53 | Low | 56 | Low | 101 Ų | 101 | 110.1 Ų | 110.1 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | trans | -59 | 117.9 | -167.7 | 36.8 | 0 | 0 | 0 | 0 | 107.8 | T197 G201 | T197-T199 PolarHBondContact O-N 3.24Å; T199-G201 WeakPolarHBondContact CB-O 3.22Å; T199-G201 CarbonylContact O-C 3.53Å; T199-G201 PolarHBondContact O-N 2.78Å; T199-G201 PolarHBondContact OG1-O 2.81Å | ||
| 200 | P | 45.2 | Very low | 53.8 | Low | 136 Ų | 136 | 113 Ų | 113 | 88% | 0.883 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -72.6 | 78.5 | -179.6 | 29.7 | -33.8 | 0 | 0 | 0 | 107.8 | P198 | P198-P200 VanDerWaalsContact O-CD 3.22Å; P198-P200 WeakPolarHBondContact O-CD 3.42Å |
| 201 | G | 43.6 | Very low | 51.7 | Low | 43 Ų | 43 | 116.2 Ų | 116.2 | 44% | 0.443 | 64% | 0.642 | S | S | . | * | S | Bend | trans | 129.2 | 85.3 | -155.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T199 | T199-G201 WeakPolarHBondContact CB-O 3.22Å; T199-G201 CarbonylContact O-C 3.53Å; T199-G201 PolarHBondContact O-N 2.78Å; T199-G201 PolarHBondContact OG1-O 2.81Å |
| 202 | I | 46.9 | Very low | 50.1 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 39% | 0.39 | 67% | 0.666 | S | S | . | * | 40.5 | 111.4 | 121 | -48.7 | 168.2 | 0 | 0 | 0 | 115.5 | Q149 M204 | Q149-I202 HydrophobicContact CB-CG1 4.48Å; Q149-I202 HydrophobicContact CB-CG2 4.29Å; Q149-I202 VanDerWaalsContact CD-CG1 3.45Å; Q149-I202 HydrophobicContact CG-CD1 4.44Å; Q149-I202 HydrophobicContact CG-CG1 3.88Å; Q149-I202 HydrophobicContact CG-CG2 4.46Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 HydrophobicContact CG2-CG 4.06Å; I202-M204 PolarHBondContact O-N 3.12Å | |||
| 203 | Y | 46 | Very low | 48.7 | Very low | 169 Ų | 169 | 118.3 Ų | 118.3 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | trans | -68.4 | 84.2 | 166.5 | -175.9 | -97 | 0 | 0 | 0 | 110.7 | G205 | Y203-G205 PolarHBondContact O-N 3.04Š| ||
| 204 | M | 51.1 | Low | 47.6 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 80% | 0.803 | 70% | 0.703 | S | S | * | * | trans | -68.3 | 84.7 | 167.6 | -72.5 | -175.2 | 171 | 0 | 0 | 109.5 | I202 | I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 HydrophobicContact CG2-CG 4.06Å; I202-M204 PolarHBondContact O-N 3.12Å | ||
| 205 | G | 48.8 | Very low | 46.2 | Very low | 37 Ų | 37 | 109.1 Ų | 109.1 | 38% | 0.381 | 70% | 0.703 | S | S | . | * | trans | -51.4 | 145 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y203 P207 | Y203-G205 PolarHBondContact O-N 3.04Å; G205-P207 WeakPolarHBondContact O-CD 3.32Å; G205-P207 VanDerWaalsContact O-N 3.11Å | ||
| 206 | R | 46.8 | Very low | 45.8 | Very low | 227 Ų | 227 | 109.3 Ų | 109.3 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -52.6 | 119.3 | -178.2 | -163.8 | 178.6 | -159.4 | -93 | 2.2 | 108.8 | T208 | R206-T208 PolarHBondContact O-N 3.18Š| ||
| 207 | P | 38.6 | Very low | 44.9 | Very low | 106 Ų | 106 | 110.9 Ų | 110.9 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | trans | -59.2 | 104.5 | -171 | -27.9 | 35.4 | 0 | 0 | 0 | 112 | G205 Y209 | G205-P207 WeakPolarHBondContact O-CD 3.32Å; G205-P207 VanDerWaalsContact O-N 3.11Å; P207-Y209 VanDerWaalsContact C-N 3.25Å; P207-Y209 HydrophobicContact CB-CD2 4.23Å; P207-Y209 PolarHBondContact O-N 2.59Å | ||
| 208 | T | 47.5 | Very low | 44.1 | Very low | 138 Ų | 138 | 109.5 Ų | 109.5 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | -87.9 | 68.6 | 171.8 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | R206 G210 | R206-T208 PolarHBondContact O-N 3.18Å; T208-G210 VanDerWaalsContact C-N 3.31Å; T208-G210 PolarHBondContact O-N 2.76Å | ||
| 209 | Y | 45.4 | Very low | 43.2 | Very low | 218 Ų | 218 | 107.8 Ų | 107.8 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -69.8 | 97.7 | 156.8 | -82.1 | -82.5 | 0 | 0 | 0 | 107.6 | P207 | P207-Y209 VanDerWaalsContact C-N 3.25Å; P207-Y209 HydrophobicContact CB-CD2 4.23Å; P207-Y209 PolarHBondContact O-N 2.59Å | ||
| 210 | G | 42.9 | Very low | 42.4 | Very low | 77 Ų | 77 | 108.8 Ų | 108.8 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -68.1 | 133.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T208 | T208-G210 VanDerWaalsContact C-N 3.31Å; T208-G210 PolarHBondContact O-N 2.76Å | ||
| 211 | G | 36.3 | Very low | 42 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 150.1 | 97.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 212 | G | 37.9 | Very low | 41.4 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -76 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 213 | G | 36 | Very low | 40.6 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 132.8 | 115.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 214 | G | 42.6 | Very low | 39.8 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -76.7 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | G | 35.3 | Very low | 39 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 124.7 | 92.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P217 | G215-P217 VanDerWaalsContact O-CD 3.32Å; G215-P217 WeakPolarHBondContact O-CD 3.08Å | ||
| 216 | G | 50.1 | Low | 38.2 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -90.2 | 122.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 217 | P | 41.3 | Very low | 37.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -120.4 | 165.4 | 157.1 | 37.5 | -28 | 0 | 0 | 0 | 112.1 | G215 | G215-P217 VanDerWaalsContact O-CD 3.32Å; G215-P217 WeakPolarHBondContact O-CD 3.08Å | ||
| 218 | G | 39.6 | Very low | 37.3 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | -47.8 | 140.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 219 | G | 32.1 | Very low | 36.7 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | -107 | 154.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 220 | P | 37 | Very low | 36 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 148.3 | -147.7 | 31.1 | -37 | 0 | 0 | 0 | 115.9 | R222 | P220-R222 PolarHBondContact O-N 2.88Š|
| 221 | R | 36.4 | Very low | 35.3 | Very low | 238 Ų | 238 | 141.7 Ų | 141.7 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 118.7 | 158.9 | -66.9 | 178.6 | 178.1 | 172.9 | -1.1 | 109.1 | ||
| 222 | R | 31.5 | Very low | 35.1 | Very low | 245 Ų | 245 | 144.2 Ų | 144.2 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 128 | 152.8 | -75.2 | -162.8 | -178.1 | -126.3 | 4 | 108.6 | P220 | P220-R222 PolarHBondContact O-N 2.88Š|
| 223 | Y | 28.5 | Very low | 35.1 | Very low | 205 Ų | 205 | 152 Ų | 152 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 140.7 | 176.4 | -133.9 | -92.5 | 0 | 0 | 0 | 109.2 | ||
| 224 | S | 30.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 58.4 | 137.7 | 166.6 | -63.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 225 | R | 34.1 | Very low | 34 | Very low | 214 Ų | 214 | 156.2 Ų | 156.2 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | cis | -170.1 | 110.6 | 39.1 | 170.6 | -168.8 | -97.4 | 168.8 | -9.7 | 107.8 | ||||
| 226 | D | 32.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -136.5 | 133.4 | 157.4 | -77.6 | -62.5 | 0 | 0 | 0 | 107.9 | ||||
| 227 | Y | 29.6 | Very low | 33 | Very low | 222 Ų | 222 | 167.3 Ų | 167.3 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -123.3 | 84.4 | -154.4 | -149.4 | -88.4 | 0 | 0 | 0 | 109.2 | ||||
| 228 | D | 35.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 165.4 Ų | 165.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -136.5 | 128.3 | -179 | -102.9 | -60.6 | 0 | 0 | 0 | 111.8 | ||||
| 229 | R | 35.7 | Very low | 32 | Very low | 236 Ų | 236 | 164.8 Ų | 164.8 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 58.4 | 87.6 | 166.5 | -163 | 177.1 | -66.9 | 167.6 | -1.3 | 114.5 | ||||
| 230 | G | 30.3 | Very low | 31.8 | Very low | 65 Ų | 65 | 171.1 Ų | 171.1 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 83.6 | 104.7 | 36.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 231 | Y | 28 | Very low | 31.6 | Very low | 226 Ų | 226 | 172.2 Ų | 172.2 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | 27.1 | 128.2 | 165 | -87.1 | -112.9 | 0 | 0 | 0 | 118.2 | ||||
| 232 | D | 33.1 | Very low | 31.3 | Very low | 130 Ų | 130 | 172.7 Ų | 172.7 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | -155.1 | 142.7 | 54.1 | -166.3 | -102 | 0 | 0 | 0 | 112.5 | |||||
| 233 | R | 36.6 | Very low | 31.2 | Very low | 251 Ų | 251 | 172.1 Ų | 172.1 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -151.3 | 58.9 | 177.7 | -158 | -176.2 | -163.4 | 174.7 | 6.6 | 113.1 | ||||
| 234 | G | 27.8 | Very low | 31.4 | Very low | 48 Ų | 48 | 169.6 Ų | 169.6 | 50% | 0.495 | 81% | 0.814 | S | S | . | * | trans | -92.4 | 156.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 235 | Y | 29.6 | Very low | 31.5 | Very low | 207 Ų | 207 | 171.5 Ų | 171.5 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | cis | -151.1 | 164.3 | 27.3 | 32 | -93 | 0 | 0 | 0 | 110.3 | ||||
| 236 | D | 32.3 | Very low | 31.4 | Very low | 143 Ų | 143 | 171.7 Ų | 171.7 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | 57 | 107 | 174.6 | -55.6 | -73.7 | 0 | 0 | 0 | 116.7 | ||||
| 237 | R | 30.3 | Very low | 31.4 | Very low | 251 Ų | 251 | 169.2 Ų | 169.2 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | cis | 57.7 | 83.4 | 22.1 | -153.8 | -176.8 | -163.4 | -163.1 | 4.9 | 116.1 | ||||
| 238 | G | 30.5 | Very low | 31.4 | Very low | 84 Ų | 84 | 168.6 Ų | 168.6 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -171 | 85.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 239 | G | 30.1 | Very low | 31.2 | Very low | 72 Ų | 72 | 170 Ų | 170 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -178.7 | 126.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 240 | Y | 27.4 | Very low | 31.1 | Very low | 204 Ų | 204 | 170.8 Ų | 170.8 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -120.4 | 162.3 | -153.3 | 40.4 | -98 | 0 | 0 | 0 | 112.9 | ||||
| 241 | D | 33.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 171 Ų | 171 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 96 | 158.1 | -50.4 | -38.4 | 0 | 0 | 0 | 120.6 | ||||
| 242 | R | 30.6 | Very low | 31.1 | Very low | 249 Ų | 249 | 169.7 Ų | 169.7 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | -161.7 | 110.5 | 123.5 | -128.4 | 176.8 | -174.9 | 160.5 | 3.8 | 113.1 | |||||
| 243 | Y | 29.1 | Very low | 31.1 | Very low | 233 Ų | 233 | 174 Ų | 174 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -105.5 | 133.8 | 154.8 | -81 | -83.7 | 0 | 0 | 0 | 108.4 | ||||
| 244 | D | 31.7 | Very low | 31 | Very low | 151 Ų | 151 | 173 Ų | 173 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 173.4 | 90.2 | 153.3 | -129.3 | -137.5 | 0 | 0 | 0 | 104.2 | ||||
| 245 | D | 32.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 181.5 Ų | 181.5 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | 51.8 | 108.3 | 82.8 | -143.4 | -52.8 | 0 | 0 | 0 | 112.9 | |||||
| 246 | R | 33.2 | Very low | 31.3 | Very low | 219 Ų | 219 | 176.8 Ų | 176.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 109.6 | 165.9 | -89 | -142.9 | 177 | -151.3 | 2.4 | 113.6 | ||||
| 247 | D | 32.4 | Very low | 31.8 | Very low | 119 Ų | 119 | 176 Ų | 176 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | 67.1 | 77 | 125.5 | -57.9 | -42.1 | 0 | 0 | 0 | 118 | |||||
| 248 | Y | 29.6 | Very low | 32.2 | Very low | 208 Ų | 208 | 169.3 Ų | 169.3 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -49 | 150 | 136.8 | -154.9 | -129.9 | 0 | 0 | 0 | 111.1 | ||||
| 249 | Y | 31.4 | Very low | 32.8 | Very low | 184 Ų | 184 | 169.7 Ų | 169.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 67.1 | 99.4 | 175.7 | -92.2 | -106.3 | 0 | 0 | 0 | 119.4 | ||||
| 250 | R | 33.8 | Very low | 32.9 | Very low | 253 Ų | 253 | 176.1 Ų | 176.1 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | -149.4 | 101.9 | 122.6 | -130.8 | 172 | -172.6 | 170.3 | 3.3 | 113.6 | |||||
| 251 | S | 29.8 | Very low | 33 | Very low | 69 Ų | 69 | 177 Ų | 177 | 48% | 0.483 | 79% | 0.791 | S | S | . | * | trans | -62.1 | 150.3 | 160 | 43 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 252 | Y | 27.5 | Very low | 33.2 | Very low | 199 Ų | 199 | 182 Ų | 182 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | 156 | 139.6 | 125.5 | -89.5 | -68.3 | 0 | 0 | 0 | 114.3 | |||||
| 253 | R | 33.3 | Very low | 33.1 | Very low | 219 Ų | 219 | 173.6 Ų | 173.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 68 | 113.2 | 156.6 | -65.9 | 168.1 | -172.5 | -97.7 | 0 | 117.1 | ||||
| 254 | R | 34.2 | Very low | 33.2 | Very low | 231 Ų | 231 | 167.6 Ų | 167.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | 74.9 | 96.8 | 76.8 | -83.2 | -161.7 | -179.7 | -91.6 | 2.7 | 115.5 | |||||
| 255 | R | 29.5 | Very low | 33.2 | Very low | 227 Ų | 227 | 170.8 Ų | 170.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | 28.7 | 103.9 | 122.7 | -165.6 | 172.5 | -173.8 | 177.2 | 1 | 119 | |||||
| 256 | S | 34.4 | Very low | 33.2 | Very low | 107 Ų | 107 | 174.4 Ų | 174.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 72.6 | 160.3 | 146.4 | -52.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 257 | P | 43 | Very low | 33.2 | Very low | 128 Ų | 128 | 168.3 Ų | 168.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | cis | -130.3 | -171.3 | 7.3 | 39 | -18.9 | 0 | 0 | 0 | 116.9 | ||||
| 258 | S | 39.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 173 Ų | 173 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -68.3 | 164.6 | -176.5 | -174.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 259 | P | 42.6 | Very low | 33.4 | Very low | 92 Ų | 92 | 168 Ų | 168 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | -151.9 | 165.1 | 107.2 | 40.5 | -23.4 | 0 | 0 | 0 | 119 | |||||
| 260 | Y | 32.7 | Very low | 33.4 | Very low | 208 Ų | 208 | 170.6 Ų | 170.6 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 84.9 | 92.5 | 156.1 | -49.7 | -52.8 | 0 | 0 | 0 | 124.2 | ||||
| 261 | Y | 29.9 | Very low | 33.6 | Very low | 223 Ų | 223 | 163.9 Ų | 163.9 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | 49.4 | 109.6 | 116.4 | -111 | -90.5 | 0 | 0 | 0 | 124 | |||||
| 262 | R | 36.2 | Very low | 33.9 | Very low | 250 Ų | 250 | 172.4 Ų | 172.4 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | 174.1 | 134.5 | 128.5 | -96.6 | -177.6 | -170 | -120.2 | 5.6 | 107.2 | |||||
| 263 | G | 29.2 | Very low | 34.6 | Very low | 72 Ų | 72 | 169.1 Ų | 169.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | cis | 128.9 | 102.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 264 | A | 31.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 169 Ų | 169 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | 176.8 | 103.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 265 | Y | 30.5 | Very low | 35.2 | Very low | 219 Ų | 219 | 161.7 Ų | 161.7 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -87.7 | 134.1 | 163.4 | -166.8 | -92.9 | 0 | 0 | 0 | 108.1 | ||||
| 266 | R | 33.3 | Very low | 36.2 | Very low | 220 Ų | 220 | 156.8 Ų | 156.8 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -144.2 | 91.1 | 168.9 | -152.4 | 176.5 | -160.1 | -167.5 | 7.8 | 112.9 | ||||
| 267 | S | 32.5 | Very low | 36.5 | Very low | 92 Ų | 92 | 163.3 Ų | 163.3 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | -65.7 | 144.8 | 163.9 | 37.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 268 | R | 32.2 | Very low | 36.4 | Very low | 216 Ų | 216 | 169 Ų | 169 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -149 | 119.4 | 161.6 | -146 | 165.6 | -171.2 | 169.1 | 1.4 | 112.5 | ||||
| 269 | S | 34.8 | Very low | 37 | Very low | 105 Ų | 105 | 178.4 Ų | 178.4 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | trans | -6.2 | 131.7 | 162.8 | -47.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 270 | R | 30.6 | Very low | 36.7 | Very low | 238 Ų | 238 | 182.8 Ų | 182.8 | 90% | 0.898 | 85% | 0.846 | S | S | * | * | 62.9 | 118.1 | 86.5 | -146.7 | 175.9 | -176.1 | 165.7 | 0.3 | 110.5 | |||||
| 271 | S | 39.4 | Very low | 36.9 | Very low | 112 Ų | 112 | 181.4 Ų | 181.4 | 78% | 0.783 | 85% | 0.847 | S | S | * | * | -158.1 | 160.2 | 63.2 | -67.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 272 | R | 36.3 | Very low | 37.3 | Very low | 248 Ų | 248 | 179.1 Ų | 179.1 | 94% | 0.936 | 85% | 0.846 | S | S | * | * | trans | -81.9 | 151.6 | 169.4 | -66.6 | 169.1 | 167.4 | 162.9 | -7.2 | 111.4 | ||||
| 273 | S | 40.8 | Very low | 37.4 | Very low | 130 Ų | 130 | 174.9 Ų | 174.9 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -150.9 | 159.3 | 147.6 | 47 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 274 | Y | 34.4 | Very low | 37.9 | Very low | 216 Ų | 216 | 181.4 Ų | 181.4 | 85% | 0.847 | 85% | 0.846 | S | S | * | * | trans | -138.1 | 131 | -148.8 | 161.6 | -90.8 | 0 | 0 | 0 | 113.1 | ||||
| 275 | S | 46.3 | Very low | 38.3 | Very low | 78 Ų | 78 | 186.4 Ų | 186.4 | 55% | 0.545 | 84% | 0.844 | S | S | . | * | trans | 65.9 | 174.7 | 150.8 | -65.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 276 | P | 50.2 | Low | 38.9 | Very low | 123 Ų | 123 | 184.1 Ų | 184.1 | 80% | 0.799 | 84% | 0.843 | S | S | * | * | cis | -124.5 | 172.8 | -12 | 15 | 9.4 | 0 | 0 | 0 | 115.1 | ||||
| 277 | R | 39.8 | Very low | 39.3 | Very low | 244 Ų | 244 | 181.3 Ų | 181.3 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -64.5 | 146.1 | 160.4 | -74.3 | 176.6 | 166 | -167.8 | -5.5 | 111.1 | ||||
| 278 | R | 42.6 | Very low | 39.9 | Very low | 248 Ų | 248 | 188.8 Ų | 188.8 | 94% | 0.936 | 86% | 0.861 | S | S | * | * | trans | -94.5 | 154.7 | 150.2 | -78 | -169.7 | 176.9 | -95.6 | 1.3 | 110 | ||||
| 279 | Y | 51.3 | Low | 40.6 | Very low | 307 Ų | 307 | 186.3 Ų | 186.3 | 100% | 1.204 | 87% | 0.865 | S | S | * | * | trans | -75.6 | 0 | -179.5 | -145 | -92.1 | 0 | 0 | 0 | 110.7 |
Retrieved 279 of 279 residues in 33.2 ms
(Link to these results)