| 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 | 53.5 | Low | 54.4 | Low | 233 Ų | 233 | 130 Ų | 130 | 100% | 1.148 | 83% | 0.828 | S | S | * | * | 0 | 94.9 | 0 | -59.5 | -176.9 | 174.5 | 0 | 0 | 105.4 | |||||
| 2 | S | 47.3 | Very low | 54.2 | Low | 125 Ų | 125 | 132.8 Ų | 132.8 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | 61.5 | 127.1 | 84.2 | -67.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3 | A | 47.6 | Very low | 53.8 | Low | 83 Ų | 83 | 131.2 Ų | 131.2 | 69% | 0.686 | 82% | 0.823 | S | S | * | * | cis | -167.8 | -175.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | C | 56.3 | Low | 52.9 | Low | 124 Ų | 124 | 134 Ų | 134 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | 76.7 | 103.2 | 153.3 | -59.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 5 | V | 51.9 | Low | 52.8 | Low | 136 Ų | 136 | 137.4 Ų | 137.4 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -82.1 | 136.4 | 153.7 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | P | 70.4 | Confident | 52.6 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -92.2 | 131.5 | 169.6 | 33.4 | -29.9 | 0 | 0 | 0 | 112.3 | ||||
| 7 | T | 46.5 | Very low | 53.6 | Low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -105.4 | 118.9 | 168.6 | -67.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 8 | V | 59.9 | Low | 53.4 | Low | 135 Ų | 135 | 138.1 Ų | 138.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -143.7 | 111.4 | 163.2 | -164.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 9 | S | 57.2 | Low | 53.1 | Low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -2.5 | 138.9 | 147 | -51.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 10 | S | 47.7 | Very low | 53.2 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -72.2 | 153.2 | 156.5 | -46 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 11 | P | 60.2 | Low | 53 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -132.1 | 162.6 | 136.4 | 34.7 | -22.5 | 0 | 0 | 0 | 115 | ||||
| 12 | L | 52.5 | Low | 52.5 | Low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -49.8 | 179.5 | 171.6 | -54.7 | 169.3 | 0 | 0 | 0 | 115.4 | ||||
| 13 | P | 49 | Very low | 52.8 | Low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -132.2 | -176 | -44 | 35.5 | -18.2 | 0 | 0 | 0 | 112.8 | ||||
| 14 | L | 41.5 | Very low | 52.6 | Low | 170 Ų | 170 | 151.6 Ų | 151.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -59.6 | 129.8 | 174.2 | -171.6 | 68.4 | 0 | 0 | 0 | 113.4 | ||||
| 15 | Q | 50.5 | Low | 52.1 | Low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -129.5 | 139 | 165.3 | -92.6 | -171.8 | 7.6 | 0 | 0 | 111.3 | ||||
| 16 | D | 50 | Low | 51.7 | Low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -105.1 | 123.6 | -173.9 | -163.7 | -40.3 | 0 | 0 | 0 | 110.6 | M18 | D16-M18 PolarHBondContact O-N 3.14Å; D16-M18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | P | 68.7 | Low | 50.8 | Low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -84 | 87.5 | -175.9 | 33.3 | -34.3 | 0 | 0 | 0 | 113.4 | ||||
| 18 | M | 50.9 | Low | 50.7 | Low | 156 Ų | 156 | 149.5 Ų | 149.5 | 77% | 0.768 | 82% | 0.82 | S | S | * | * | trans | 42.1 | 116.6 | 143.5 | -65.7 | -170.5 | 73.5 | 0 | 0 | 120.4 | D16 | D16-M18 PolarHBondContact O-N 3.14Å; D16-M18 VanDerWaalsContact O-N 3.11Å | ||
| 19 | S | 47 | Very low | 50.1 | Low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -44.5 | 132.7 | 155.2 | -41.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 20 | K | 56.7 | Low | 49.4 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -125.4 | 87.4 | 166 | -75.6 | -174.3 | 179.1 | 177.8 | 0 | 111.4 | ||||
| 21 | L | 48.2 | Very low | 49.6 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -70.6 | 121.9 | 157.6 | -92.7 | 69 | 0 | 0 | 0 | 108.7 | ||||
| 22 | W | 43.5 | Very low | 48.7 | Very low | 218 Ų | 218 | 150.6 Ų | 150.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -130.6 | 153.5 | 162.2 | -77.7 | 82.9 | 0 | 0 | 0 | 111.2 | ||||
| 23 | R | 51.8 | Low | 48.2 | Very low | 227 Ų | 227 | 146.9 Ų | 146.9 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -85.5 | 153.6 | -147 | -57.1 | 172.1 | -163.2 | -103 | -0.5 | 113.5 | ||||
| 24 | R | 43.5 | Very low | 48.2 | Very low | 241 Ų | 241 | 146.7 Ų | 146.7 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 130.6 | 157.1 | -149.3 | 178.6 | -147.8 | -98 | 4.9 | 108.3 | ||||
| 25 | G | 46.6 | Very low | 48.6 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -133.1 | 112.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | S | 43.7 | Very low | 48.4 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -82.4 | 140.7 | 167.6 | -62.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 27 | T | 51.3 | Low | 48.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -130.1 | 154.6 | 159.5 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 28 | S | 44.6 | Very low | 47.2 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -112.9 | 155.6 | -159.9 | 43.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 29 | G | 46.2 | Very low | 46.7 | Very low | 65 Ų | 65 | 141.4 Ų | 141.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 178.1 | 111.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 30 | A | 43.9 | Very low | 46.5 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | 54.8 | 122.6 | 65.2 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 31 | M | 50.7 | Low | 45.9 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | cis | -164.1 | 154.6 | 29.6 | 50.5 | -139.7 | 79.6 | 0 | 0 | 113.7 | ||||
| 32 | E | 42.5 | Very low | 45.5 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | 66.6 | 146.4 | 159.4 | -61.5 | -156.5 | 99.6 | 0 | 0 | 124.6 | ||||
| 33 | A | 41.8 | Very low | 45.6 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -124.5 | -159.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 34 | P | 48.6 | Very low | 44.9 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -146.2 | -166.6 | 13.2 | 43.9 | -21.2 | 0 | 0 | 0 | 117.1 | ||||
| 35 | E | 49.2 | Very low | 45 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | 62.7 | 132.4 | 158.7 | -56.1 | -43.6 | 82.8 | 0 | 0 | 124.7 | ||||
| 36 | P | 46.5 | Very low | 44.5 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -120 | 156.2 | 159.7 | 39.6 | -27.9 | 0 | 0 | 0 | 114.3 | ||||
| 37 | G | 49 | Very low | 44.7 | Very low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -164.3 | 140.9 | 172 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 38 | E | 45.2 | Very low | 44.4 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | 57.8 | 105.4 | 148.2 | -55.3 | -178.6 | 124 | 0 | 0 | 118.9 | ||||
| 39 | T | 40.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | 81 | 142.4 | 67.2 | 57.6 | 0 | 0 | 0 | 0 | 117 | |||||
| 40 | L | 42.3 | Very low | 44.6 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 79.6 | 143.3 | 176.3 | -50.7 | -178.1 | 0 | 0 | 0 | 114.7 | ||||
| 41 | E | 43.5 | Very low | 45 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | cis | -149 | 166.5 | 13.9 | -125.9 | -85 | 77.1 | 0 | 0 | 111.2 | ||||
| 42 | L | 40.6 | Very low | 45.3 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -99.5 | 151.3 | -178.2 | -76.9 | 136.7 | 0 | 0 | 0 | 112.5 | ||||
| 43 | S | 45.9 | Very low | 45.9 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -173.9 | 167.1 | 136.9 | -93.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 44 | L | 37.7 | Very low | 47 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -131.5 | 120.9 | -145.4 | -169.9 | 80.1 | 0 | 0 | 0 | 113.5 | ||||
| 45 | A | 45.6 | Very low | 47.8 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -169.8 | 146.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 46 | G | 35.9 | Very low | 48.6 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | cis | 142.2 | 73.4 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 47 | A | 47.2 | Very low | 49.4 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -158.3 | 137 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 48 | H | 45.5 | Very low | 49.8 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 96% | 0.963 | 83% | 0.831 | S | S | * | * | trans | -78 | 144.3 | 175.4 | -85.7 | -80.6 | 0 | 0 | 0 | 112.7 | ||||
| 49 | G | 46.4 | Very low | 50.7 | Low | 75 Ų | 75 | 151.3 Ų | 151.3 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -155.3 | 113.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 50 | H | 48.1 | Very low | 51.6 | Low | 202 Ų | 202 | 153.3 Ų | 153.3 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -78.5 | 119.3 | -173.4 | -145.1 | -103.1 | 0 | 0 | 0 | 111 | ||||
| 51 | G | 52.6 | Low | 51.8 | Low | 68 Ų | 68 | 154.8 Ų | 154.8 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | trans | -134.8 | 112.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H53 | G51-H53 PolarHBondContact O-N 3.01Š| ||
| 52 | V | 56.1 | Low | 52.3 | Low | 139 Ų | 139 | 155.9 Ų | 155.9 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | trans | -72.9 | 114.9 | -170.2 | -154.6 | 0 | 0 | 0 | 0 | 112.4 | K54 | V52-K54 PolarHBondContact O-N 2.98Š| ||
| 53 | H | 55.8 | Low | 52.9 | Low | 153 Ų | 153 | 157.1 Ų | 157.1 | 71% | 0.708 | 83% | 0.833 | S | S | * | * | trans | -83.1 | 97.4 | -170.9 | -178.2 | -82.6 | 0 | 0 | 0 | 113.9 | G51 | G51-H53 PolarHBondContact O-N 3.01Š| ||
| 54 | K | 65.4 | Low | 53.4 | Low | 191 Ų | 191 | 159.3 Ų | 159.3 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | -93 | 108.4 | 167.6 | -73.2 | -166.9 | 176.6 | -178.3 | 0 | 112 | V52 K56 | V52-K54 PolarHBondContact O-N 2.98Å; K54-K56 PolarHBondContact O-N 3.08Å | ||
| 55 | K | 65.1 | Low | 53.8 | Low | 178 Ų | 178 | 160.2 Ų | 160.2 | 77% | 0.774 | 83% | 0.825 | S | S | * | * | trans | -70.8 | 107.3 | -173.4 | -150.4 | 161.8 | -171.5 | 172.9 | 0 | 111.4 | ||||
| 56 | K | 66 | Low | 53.8 | Low | 198 Ų | 198 | 164.9 Ų | 164.9 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -78.5 | 128.4 | 177.3 | -68.3 | 179.5 | 179.7 | 175.3 | 0 | 111.2 | K54 | K54-K56 PolarHBondContact O-N 3.08Š| ||
| 57 | H | 64.2 | Low | 54.2 | Low | 188 Ų | 188 | 169 Ų | 169 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 125.5 | 172.1 | -85.4 | -125.9 | 0 | 0 | 0 | 111.4 | K59 | H57-K59 PolarHBondContact O-N 3.31Š| ||
| 58 | K | 57.5 | Low | 54 | Low | 185 Ų | 185 | 170.8 Ų | 170.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -86.9 | 95.7 | -177.1 | -169.9 | 167.6 | -178.3 | 173.4 | 0 | 111.2 | ||||
| 59 | K | 63 | Low | 53.8 | Low | 201 Ų | 201 | 167.9 Ų | 167.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -85.5 | 109.7 | 177 | -155.6 | 170.9 | -172.1 | 175 | 0 | 110.2 | H57 | H57-K59 PolarHBondContact O-N 3.31Š| ||
| 60 | H | 59.1 | Low | 53.4 | Low | 163 Ų | 163 | 172.2 Ų | 172.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 133.8 | 178.6 | -88.2 | -124.8 | 0 | 0 | 0 | 111.8 | ||||
| 61 | K | 46.6 | Very low | 53.1 | Low | 193 Ų | 193 | 169.5 Ų | 169.5 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -125.7 | 91.2 | 173.8 | -174 | 172.1 | -176.2 | 173.6 | 0 | 109.4 | ||||
| 62 | K | 55.1 | Low | 52.5 | Low | 185 Ų | 185 | 174.6 Ų | 174.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -88.6 | 106.9 | 175.7 | -161.4 | 170.2 | -176.4 | 178.3 | 0 | 109.6 | ||||
| 63 | K | 53 | Low | 51.7 | Low | 175 Ų | 175 | 176 Ų | 176 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -72.7 | 145.3 | 168 | -77.7 | 173.5 | 168.2 | 173.6 | 0 | 109.5 | ||||
| 64 | H | 56.6 | Low | 50.9 | Low | 175 Ų | 175 | 172.9 Ų | 172.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -135.4 | 144.7 | 143.1 | -85 | -84.8 | 0 | 0 | 0 | 109.4 | ||||
| 65 | K | 44.4 | Very low | 49.5 | Very low | 197 Ų | 197 | 167.2 Ų | 167.2 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -147.6 | 120.5 | -171.8 | 167.8 | 174.5 | 174.4 | 174.9 | 0 | 110.2 | ||||
| 66 | K | 47.4 | Very low | 48.4 | Very low | 202 Ų | 202 | 164.5 Ų | 164.5 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | 178.9 | 131.3 | 162.8 | -109.3 | 179.1 | 165.5 | 177.4 | 0 | 105.5 | ||||
| 67 | K | 44.3 | Very low | 47.1 | Very low | 167 Ų | 167 | 160.8 Ų | 160.8 | 73% | 0.726 | 78% | 0.78 | S | S | * | * | cis | 58.9 | 131 | 28.8 | -120.6 | -147.7 | -176.5 | -150 | 0 | 111.9 | ||||
| 68 | H | 42.7 | Very low | 45.8 | Very low | 143 Ų | 143 | 160.1 Ų | 160.1 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | cis | -116.8 | -167.3 | -2.8 | -97.9 | 169.7 | 0 | 0 | 0 | 108.7 | ||||
| 69 | H | 40.5 | Very low | 45.2 | Very low | 147 Ų | 147 | 160.2 Ų | 160.2 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | cis | -138.8 | -152.4 | 2.3 | -154.9 | -109.9 | 0 | 0 | 0 | 110.4 | E71 | H69-E71 IonicContact CE1-OE2 3.63Å; H69-E71 IonicContact ND1-OE2 3.85Å | ||
| 70 | Q | 37.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 157 Ų | 157 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -143 | 163.3 | 174.1 | 169.8 | -179.2 | 6.3 | 0 | 0 | 108.9 | ||||
| 71 | E | 42.8 | Very low | 43.8 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | 133.4 | 106.8 | 157.6 | -72.9 | 171.7 | 116.4 | 0 | 0 | 110.1 | H69 | H69-E71 IonicContact CE1-OE2 3.63Å; H69-E71 IonicContact ND1-OE2 3.85Å | ||
| 72 | E | 40.4 | Very low | 44 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 78 | 136.3 | 102.7 | -59.2 | -131 | 124.6 | 0 | 0 | 112.3 | |||||
| 73 | E | 39 | Very low | 44.3 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | cis | -154.9 | -175.8 | 1.7 | -149.8 | -133.2 | 107.2 | 0 | 0 | 109.8 | ||||
| 74 | A | 38.5 | Very low | 44.3 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 67.5 | 141.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 75 | G | 36.8 | Very low | 44.6 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -87.6 | -150.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 76 | P | 40.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -142.2 | -161.9 | 11.5 | 35.9 | -11.2 | 0 | 0 | 0 | 115.6 | ||||
| 77 | T | 39.4 | Very low | 46.3 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 90.9 | 124.2 | 151 | -48.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 78 | L | 36 | Very low | 47.3 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -59.7 | 131.4 | 172.8 | -70.2 | 151.5 | 0 | 0 | 0 | 112.6 | ||||
| 79 | Q | 46.3 | Very low | 48.2 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -126 | 129.7 | 165.9 | -65.8 | -174.8 | 39 | 0 | 0 | 110.4 | ||||
| 80 | T | 45.7 | Very low | 49.5 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80 | 145.2 | 179.7 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | A82 | T80-A82 PolarHBondContact O-N 3.42Š|
| 81 | P | 46.8 | Very low | 50.4 | Low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 118.3 | -172.6 | 29.2 | -33.9 | 0 | 0 | 0 | 112.3 | ||
| 82 | A | 50.4 | Low | 51.1 | Low | 100 Ų | 100 | 144.2 Ų | 144.2 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T80 | T80-A82 PolarHBondContact O-N 3.42Š|
| 83 | K | 62.4 | Low | 51.8 | Low | 195 Ų | 195 | 140 Ų | 140 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 141.1 | -178.8 | -62.5 | 174.5 | -178.6 | 176.4 | 0 | 111.3 | Q85 | K83-Q85 PolarHBondContact O-N 3.48Š|
| 84 | P | 52.7 | Low | 53.1 | Low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 122.1 | 176.9 | 29.8 | -33.4 | 0 | 0 | 0 | 111 | ||
| 85 | Q | 62.1 | Low | 53.9 | Low | 141 Ų | 141 | 139.1 Ų | 139.1 | 66% | 0.659 | 79% | 0.791 | S | S | * | * | trans | -108.4 | 104.5 | 176.8 | -169.3 | -176.9 | 43.6 | 0 | 0 | 109.9 | K83 K87 | K83-Q85 PolarHBondContact O-N 3.48Å; Q85-K87 PolarHBondContact O-N 2.79Å | ||
| 86 | L | 64.9 | Low | 54.9 | Low | 160 Ų | 160 | 139.9 Ų | 139.9 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -68 | 128.8 | 169.4 | -79.9 | 94.4 | 0 | 0 | 0 | 109.8 | ||||
| 87 | K | 63 | Low | 55.5 | Low | 167 Ų | 167 | 141.1 Ų | 141.1 | 73% | 0.726 | 78% | 0.78 | S | S | * | * | trans | -113.6 | 95.8 | 173.5 | -71.3 | 175.4 | 179.9 | 170.5 | 0 | 108.8 | Q85 | Q85-K87 PolarHBondContact O-N 2.79Š| ||
| 88 | L | 64.6 | Low | 56 | Low | 155 Ų | 155 | 139.1 Ų | 139.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 130.1 | 168.5 | -74.7 | 164.3 | 0 | 0 | 0 | 108.8 | ||||
| 89 | K | 62.1 | Low | 57.1 | Low | 160 Ų | 160 | 137 Ų | 137 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | trans | -133.5 | 76.2 | -177.3 | -162.6 | 164.1 | -173.5 | 171 | 0 | 109.3 | V96 | K89-V96 VanDerWaalsContact CE-CG1 3.49Š| ||
| 90 | I | 68.3 | Low | 57.5 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -71.5 | 130.1 | 178 | -56.5 | 174.2 | 0 | 0 | 0 | 107.9 | L92 | I90-L92 HydrophobicContact CG2-CD1 4.41Š| ||
| 91 | K | 55.1 | Low | 58 | Low | 169 Ų | 169 | 136.1 Ų | 136.1 | 74% | 0.735 | 77% | 0.773 | S | S | * | * | trans | -106.7 | 116.9 | 175.9 | -73 | -178.8 | 173.8 | -178.3 | 0 | 109.3 | ||||
| 92 | L | 58.1 | Low | 58.1 | Low | 145 Ų | 145 | 136.3 Ų | 136.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | B | Isolated β-bridge | trans | -115.6 | 135.9 | 160.6 | -111.6 | 71.4 | 0 | 0 | 0 | 107.9 | I90 G94 | I90-L92 HydrophobicContact CG2-CD1 4.41Å; L92-G94 PolarHBondContact O-N 3.35Å; L92-G94 VanDerWaalsContact O-N 3.08Å |
| 93 | G | 54.7 | Low | 58.8 | Low | 86 Ų | 86 | 136.9 Ų | 136.9 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.1 | 30.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q95 | G93-Q95 PolarHBondContact O-N 3.1Š|
| 94 | G | 66.9 | Low | 58.3 | Low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | -15.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L92 | L92-G94 PolarHBondContact O-N 3.35Å; L92-G94 VanDerWaalsContact O-N 3.08Å |
| 95 | Q | 56.4 | Low | 58.5 | Low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | B | Isolated β-bridge | trans | -91.6 | 135.3 | 171.5 | -81.2 | -178.3 | -20 | 0 | 0 | 111.8 | G93 | G93-Q95 PolarHBondContact O-N 3.1Å |
| 96 | V | 56.8 | Low | 58.5 | Low | 89 Ų | 89 | 134.7 Ų | 134.7 | 54% | 0.539 | 76% | 0.763 | S | S | . | * | trans | -109.4 | 80.9 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | K89 G98 | K89-V96 VanDerWaalsContact CE-CG1 3.49Å; V96-G98 PolarHBondContact O-N 3.49Å | ||
| 97 | L | 53 | Low | 57.6 | Low | 146 Ų | 146 | 132 Ų | 132 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -74.6 | 110.2 | 169.5 | -66.5 | 176.9 | 0 | 0 | 0 | 109.3 | T99 | L97-T99 PolarHBondContact O-N 2.9Š| ||
| 98 | G | 50.4 | Low | 57.3 | Low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -75.8 | 99 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V96 K100 | V96-G98 PolarHBondContact O-N 3.49Å; G98-K100 PolarHBondContact O-N 3.44Å | ||
| 99 | T | 59 | Low | 56.8 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 124.6 | 175.8 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | L97 | L97-T99 PolarHBondContact O-N 2.9Š|
| 100 | K | 53.4 | Low | 56.3 | Low | 195 Ų | 195 | 128.9 Ų | 128.9 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 145.8 | 168.7 | 55.8 | -160.5 | 172.6 | -175 | 0 | 110.2 | G98 | G98-K100 PolarHBondContact O-N 3.44Š|
| 101 | S | 56.6 | Low | 55.7 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 130.6 | -168.4 | 50.2 | 0 | 0 | 0 | 0 | 115 | ||
| 102 | V | 50.2 | Low | 55.2 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 121 | 167.3 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 103 | P | 63.4 | Low | 54.6 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -69 | 132.5 | 172.1 | -19 | 33.1 | 0 | 0 | 0 | 111.3 | F105 | P103-F105 PolarHBondContact O-N 3.29Š|
| 104 | T | 53.2 | Low | 54 | Low | 132 Ų | 132 | 128.6 Ų | 128.6 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -66.4 | 115.6 | 171.5 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 105 | F | 56.9 | Low | 53 | Low | 172 Ų | 172 | 130 Ų | 130 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -80.8 | 137.7 | 167.7 | 130.9 | -88.7 | 0 | 0 | 0 | 109.4 | P103 V107 | P103-F105 PolarHBondContact O-N 3.29Å; F105-V107 HydrophobicContact CE1-CG2 3.95Å; F105-V107 HydrophobicContact CE2-CG2 3.51Å; F105-V107 HydrophobicContact CZ-CG2 3.17Å | ||
| 106 | T | 61.7 | Low | 52.3 | Low | 108 Ų | 108 | 128.7 Ų | 128.7 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | -124.7 | 115.5 | 177.2 | -44.8 | 0 | 0 | 0 | 0 | 107.1 | I108 | T106-I108 PolarHBondContact O-N 3.04Š| ||
| 107 | V | 46.6 | Very low | 51.6 | Low | 104 Ų | 104 | 130.3 Ų | 130.3 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | trans | -68 | 123.2 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | F105 | F105-V107 HydrophobicContact CE1-CG2 3.95Å; F105-V107 HydrophobicContact CE2-CG2 3.51Å; F105-V107 HydrophobicContact CZ-CG2 3.17Å | ||
| 108 | I | 56.1 | Low | 51 | Low | 136 Ų | 136 | 130.4 Ų | 130.4 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | -111.6 | 118.5 | 164.8 | -58.3 | 176.7 | 0 | 0 | 0 | 105.6 | T106 E110 | T106-I108 PolarHBondContact O-N 3.04Å; I108-E110 PolarHBondContact O-N 3.13Å | ||
| 109 | P | 54.3 | Low | 50.5 | Low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 128.4 | 174.6 | 27.5 | -32.4 | 0 | 0 | 0 | 109.6 | G111 | P109-G111 PolarHBondContact O-N 3.5Š|
| 110 | E | 50.4 | Low | 49.6 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.2 | 176.1 | -65.2 | -126.1 | 136.9 | 0 | 0 | 110.3 | I108 | I108-E110 PolarHBondContact O-N 3.13Š|
| 111 | G | 56.6 | Low | 49.2 | Very low | 60 Ų | 60 | 130.4 Ų | 130.4 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -82 | 156.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P109 | P109-G111 PolarHBondContact O-N 3.5Š|
| 112 | P | 45 | Very low | 48.6 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | -153.4 | 160.9 | 67.4 | 39.6 | -21.5 | 0 | 0 | 0 | 116.7 | |||||
| 113 | R | 44.1 | Very low | 48.4 | Very low | 256 Ų | 256 | 133.9 Ų | 133.9 | 97% | 0.966 | 76% | 0.764 | S | S | * | * | trans | -178.2 | 151.9 | 133.4 | -101.8 | 155.4 | -178.8 | 155.8 | -0.5 | 113.2 | ||||
| 114 | S | 43 | Very low | 47.4 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -144.2 | 169.8 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 115 | P | 46.5 | Very low | 46.9 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -127.3 | 147.5 | -26.7 | 34.5 | -19.3 | 0 | 0 | 0 | 112.2 | P117 | P115-P117 WeakPolarHBondContact O-CD 3.42Š| ||
| 116 | S | 40.8 | Very low | 46.7 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -82.5 | 127.1 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 117 | P | 43.3 | Very low | 45.9 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -80.8 | 129.6 | 172.5 | -11.6 | 29.2 | 0 | 0 | 0 | 113.1 | P115 | P115-P117 WeakPolarHBondContact O-CD 3.42Š| ||
| 118 | L | 39.6 | Very low | 46.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 36.3 | 132.3 | 132.9 | -125.3 | 82.5 | 0 | 0 | 0 | 121.2 | ||||
| 119 | M | 39.5 | Very low | 45.9 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 76.6 | 148.4 | 156.5 | -49.6 | -48.9 | -112.1 | 0 | 0 | 116.4 | ||||
| 120 | V | 40.6 | Very low | 45.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | cis | -171.8 | 171.1 | -26.2 | 118.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 121 | V | 45.7 | Very low | 46.1 | Very low | 129 Ų | 129 | 140 Ų | 140 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | 88.4 | 119.1 | 173 | -158.9 | 0 | 0 | 0 | 0 | 116.6 | N123 | V121-N123 PolarHBondContact O-N 3.38Š| ||
| 122 | D | 43.8 | Very low | 46.7 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -48.2 | 124.1 | 158.6 | -69.6 | -110.8 | 0 | 0 | 0 | 113 | ||||
| 123 | N | 44.8 | Very low | 47.5 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -143.1 | 145.5 | 142.1 | -157.6 | -138.4 | 0 | 0 | 0 | 110.5 | V121 | V121-N123 PolarHBondContact O-N 3.38Š| ||
| 124 | E | 43.6 | Very low | 48.5 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -90.9 | 155.6 | -168.2 | -47.6 | -172.8 | 106.4 | 0 | 0 | 109.4 | ||||
| 125 | E | 41.4 | Very low | 49.6 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | 71.4 | 91.7 | 168 | -160.2 | 164.4 | 115 | 0 | 0 | 117.8 | ||||
| 126 | E | 52.7 | Low | 50.4 | Low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -160.1 | 159.8 | 141 | -106.5 | -154.7 | 93.2 | 0 | 0 | 111.5 | ||||
| 127 | P | 45.5 | Very low | 51.7 | Low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -88.5 | 159.4 | -148.5 | 33.7 | -38.1 | 0 | 0 | 0 | 116.4 | E129 | P127-E129 PolarHBondContact O-N 3.32Š| ||
| 128 | M | 50.1 | Low | 52.6 | Low | 188 Ų | 188 | 137 Ų | 137 | 93% | 0.926 | 71% | 0.71 | S | S | * | * | trans | -62.1 | 104.3 | 171.9 | 179.9 | 169.4 | -73.5 | 0 | 0 | 111.3 | G130 | M128-G130 VanDerWaalsContact C-N 3.27Å; M128-G130 PolarHBondContact O-N 2.85Å | ||
| 129 | E | 52.3 | Low | 53.8 | Low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | trans | -69.2 | 80.8 | 176.8 | -163.4 | 173.6 | -153.8 | 0 | 0 | 110.7 | P127 | P127-E129 PolarHBondContact O-N 3.32Š| ||
| 130 | G | 50.6 | Low | 55 | Low | 54 Ų | 54 | 138.1 Ų | 138.1 | 56% | 0.557 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 145.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M128 | M128-G130 VanDerWaalsContact C-N 3.27Å; M128-G130 PolarHBondContact O-N 2.85Å |
| 131 | V | 59.4 | Low | 55.9 | Low | 70 Ų | 70 | 136.5 Ų | 136.5 | 42% | 0.424 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -49.2 | 128.6 | 172.3 | 172.5 | 0 | 0 | 0 | 0 | 109.5 | L133 Q135 Y136 | V131-L133 PolarHBondContact O-N 3.38Å; V131-Q135 HydrophobicContact CG1-CB 3.86Å; V131-Q135 HydrophobicContact CG1-CG 3.94Å; V131-Y136 HydrophobicContact CB-CD2 4.23Å; V131-Y136 HydrophobicContact CB-CE2 3.77Å; V131-Y136 HydrophobicContact CG1-CD2 4.21Å; V131-Y136 HydrophobicContact CG1-CE2 4.15Å |
| 132 | P | 69.3 | Low | 56.5 | Low | 84 Ų | 84 | 137.2 Ų | 137.2 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 135.9 | -175.9 | -31.4 | 36.1 | 0 | 0 | 0 | 112.7 | E134 Q135 Y136 | P132-E134 PolarHBondContact O-N 2.98Å; P132-Q135 WeakPolarHBondContact O-CB 3.37Å; P132-Q135 PolarHBondContact O-N 2.92Å; P132-Y136 PolarHBondContact O-N 3.16Å |
| 133 | L | 61.7 | Low | 56.9 | Low | 128 Ų | 128 | 136.5 Ų | 136.5 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -58.5 | -26.2 | -173.8 | -157 | 72.7 | 0 | 0 | 0 | 112.6 | V131 Y136 R137 | V131-L133 PolarHBondContact O-N 3.38Å; L133-Y136 PolarHBondContact O-N 3Å; L133-R137 WeakPolarHBondContact O-CG 3.44Å; L133-R137 PolarHBondContact O-N 3.48Å |
| 134 | E | 65.3 | Low | 57.4 | Low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.9 | -33.4 | 173.2 | -60.9 | -166.4 | 146.4 | 0 | 0 | 113.5 | P132 R137 A138 | P132-E134 PolarHBondContact O-N 2.98Å; E134-R137 PolarHBondContact O-N 3.19Å; E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.43Å |
| 135 | Q | 65.5 | Low | 57.8 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 59% | 0.589 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.6 | -32.3 | 176 | -176.8 | 176.2 | -14.8 | 0 | 0 | 111.5 | V131 P132 W139 | V131-Q135 HydrophobicContact CG1-CB 3.86Å; V131-Q135 HydrophobicContact CG1-CG 3.94Å; P132-Q135 WeakPolarHBondContact O-CB 3.37Å; P132-Q135 PolarHBondContact O-N 2.92Å; Q135-W139 PolarHBondContact O-N 3.45Å |
| 136 | Y | 63.1 | Low | 58.1 | Low | 137 Ų | 137 | 129 Ų | 129 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -68.2 | -36.1 | 168.8 | -87.5 | -71 | 0 | 0 | 0 | 112.5 | V131 P132 L133 L140 | V131-Y136 HydrophobicContact CB-CD2 4.23Å; V131-Y136 HydrophobicContact CB-CE2 3.77Å; V131-Y136 HydrophobicContact CG1-CD2 4.21Å; V131-Y136 HydrophobicContact CG1-CE2 4.15Å; P132-Y136 PolarHBondContact O-N 3.16Å; L133-Y136 PolarHBondContact O-N 3Å; Y136-L140 WeakPolarHBondContact O-CG 3.48Å; Y136-L140 PolarHBondContact O-N 3.2Å |
| 137 | R | 67.2 | Low | 57.6 | Low | 159 Ų | 159 | 124 Ų | 124 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.7 | -51.5 | 173.2 | -73.5 | 177.2 | 118.2 | 125.3 | 4.1 | 111.5 | L133 E134 W139 L140 D141 | L133-R137 WeakPolarHBondContact O-CG 3.44Å; L133-R137 PolarHBondContact O-N 3.48Å; E134-R137 PolarHBondContact O-N 3.19Å; R137-W139 PolarHBondContact O-N 3Å; R137-W139 VanDerWaalsContact O-N 3.11Å; R137-L140 CarbonylContact O-C 3.59Å; R137-L140 PolarHBondContact O-N 3.48Å; R137-D141 WeakPolarHBondContact O-CB 3.43Å; R137-D141 PolarHBondContact O-N 3.39Å; R137-D141 VanDerWaalsContact O-OD2 3.13Å |
| 138 | A | 63.5 | Low | 57.7 | Low | 47 Ų | 47 | 124.4 Ų | 124.4 | 39% | 0.388 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -52.2 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E134 L140 D141 E142 | E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.43Å; A138-L140 VanDerWaalsContact C-N 3.33Å; A138-L140 PolarHBondContact O-N 2.63Å; A138-D141 PolarHBondContact O-N 2.89Å; A138-E142 WeakPolarHBondContact O-CB 3.28Å; A138-E142 WeakPolarHBondContact O-CG 3.44Å; A138-E142 PolarHBondContact O-N 3.14Å |
| 139 | W | 65.1 | Low | 57.4 | Low | 204 Ų | 204 | 119.4 Ų | 119.4 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.5 | -18.8 | 179 | -132.2 | 45 | 0 | 0 | 0 | 114.8 | Q135 R137 | Q135-W139 PolarHBondContact O-N 3.45Å; R137-W139 PolarHBondContact O-N 3Å; R137-W139 VanDerWaalsContact O-N 3.11Å |
| 140 | L | 63.2 | Low | 57.2 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -95.8 | -26.7 | 172.6 | -64.8 | 171.3 | 0 | 0 | 0 | 111.9 | Y136 R137 A138 S144 | Y136-L140 WeakPolarHBondContact O-CG 3.48Å; Y136-L140 PolarHBondContact O-N 3.2Å; R137-L140 CarbonylContact O-C 3.59Å; R137-L140 PolarHBondContact O-N 3.48Å; A138-L140 VanDerWaalsContact C-N 3.33Å; A138-L140 PolarHBondContact O-N 2.63Å; L140-S144 PolarHBondContact O-OG 3.37Å |
| 141 | D | 60.6 | Low | 56.8 | Low | 84 Ų | 84 | 119.3 Ų | 119.3 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -81.9 | -26.8 | 179.3 | -65.3 | -35.3 | 0 | 0 | 0 | 112.3 | R137 A138 S144 N145 | R137-D141 WeakPolarHBondContact O-CB 3.43Å; R137-D141 PolarHBondContact O-N 3.39Å; R137-D141 VanDerWaalsContact O-OD2 3.13Å; A138-D141 PolarHBondContact O-N 2.89Å; D141-S144 CarbonylContact O-C 3.58Å; D141-S144 PolarHBondContact O-N 2.73Å; D141-N145 PolarHBondContact O-N 3.22Å; D141-N145 PolarHBondContact O-ND2 3.36Å |
| 142 | E | 57 | Low | 56.2 | Low | 144 Ų | 144 | 126.2 Ų | 126.2 | 67% | 0.673 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -38.7 | 177.1 | -86.9 | -167.8 | 98.3 | 0 | 0 | 113.2 | A138 S144 N145 | A138-E142 WeakPolarHBondContact O-CB 3.28Å; A138-E142 WeakPolarHBondContact O-CG 3.44Å; A138-E142 PolarHBondContact O-N 3.14Å; E142-S144 VanDerWaalsContact C-N 3.29Å; E142-N145 PolarHBondContact O-N 3.28Å |
| 143 | D | 52.8 | Low | 55 | Low | 135 Ų | 135 | 129.3 Ų | 129.3 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -74.5 | -20.7 | 172.2 | -84.6 | -36.2 | 0 | 0 | 0 | 112.4 | ||
| 144 | S | 55.2 | Low | 54.6 | Low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -84.4 | -4.8 | 176.8 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | L140 D141 E142 L146 | L140-S144 PolarHBondContact O-OG 3.37Å; D141-S144 CarbonylContact O-C 3.58Å; D141-S144 PolarHBondContact O-N 2.73Å; E142-S144 VanDerWaalsContact C-N 3.29Å; S144-L146 VanDerWaalsContact C-N 3.26Å; S144-L146 PolarHBondContact O-N 3.09Å |
| 145 | N | 51.4 | Low | 53.6 | Low | 133 Ų | 133 | 126.7 Ų | 126.7 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -83.6 | 3.1 | 174.4 | -91 | -91.5 | 0 | 0 | 0 | 113.8 | D141 E142 S147 | D141-N145 PolarHBondContact O-N 3.22Å; D141-N145 PolarHBondContact O-ND2 3.36Å; E142-N145 PolarHBondContact O-N 3.28Å; N145-S147 VanDerWaalsContact C-N 3.32Å; N145-S147 PolarHBondContact O-N 3.38Å |
| 146 | L | 48.8 | Very low | 52.7 | Low | 144 Ų | 144 | 123.8 Ų | 123.8 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -68.5 | 95 | 158.1 | -64.4 | 179.1 | 0 | 0 | 0 | 108.5 | S144 | S144-L146 VanDerWaalsContact C-N 3.26Å; S144-L146 PolarHBondContact O-N 3.09Å |
| 147 | S | 42.8 | Very low | 52 | Low | 87 Ų | 87 | 123.3 Ų | 123.3 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | trans | -21.5 | 124 | 172.4 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | N145 S149 | N145-S147 VanDerWaalsContact C-N 3.32Å; N145-S147 PolarHBondContact O-N 3.38Å; S147-S149 VanDerWaalsContact C-N 3.29Å; S147-S149 PolarHBondContact O-N 3.04Å | ||
| 148 | P | 47.6 | Very low | 51.2 | Low | 115 Ų | 115 | 121.1 Ų | 121.1 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | trans | -60.5 | 97.2 | 176.6 | 25.7 | -33.2 | 0 | 0 | 0 | 108.2 | P150 | P148-P150 WeakPolarHBondContact O-CD 3.28Š| ||
| 149 | S | 42.7 | Very low | 50.7 | Low | 83 Ų | 83 | 124.8 Ų | 124.8 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | trans | -59.3 | 131 | -177.5 | -73.4 | 0 | 0 | 0 | 0 | 107.5 | S147 L151 | S147-S149 VanDerWaalsContact C-N 3.29Å; S147-S149 PolarHBondContact O-N 3.04Å; S149-L151 PolarHBondContact O-N 3.28Å | ||
| 150 | P | 47.8 | Very low | 50.3 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -67 | 42.2 | -179.4 | -25 | 36.3 | 0 | 0 | 0 | 115.6 | P148 | P148-P150 WeakPolarHBondContact O-CD 3.28Š|
| 151 | L | 43.6 | Very low | 50.1 | Low | 132 Ų | 132 | 116.4 Ų | 116.4 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | trans | -110.1 | 28.6 | 175.7 | -71.6 | 174 | 0 | 0 | 0 | 111.5 | S149 | S149-L151 PolarHBondContact O-N 3.28Š| ||
| 152 | R | 45.8 | Very low | 50.3 | Low | 216 Ų | 216 | 119.1 Ų | 119.1 | 82% | 0.815 | 66% | 0.664 | S | S | * | * | trans | -81.8 | 6.4 | 165.3 | -80.3 | -171.8 | 165.6 | -102.5 | -4.7 | 113.2 | ||||
| 153 | D | 44.9 | Very low | 51.1 | Low | 149 Ų | 149 | 119 Ų | 119 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | trans | -100 | 35.3 | 173.8 | -63.7 | -71.2 | 0 | 0 | 0 | 112.6 | ||||
| 154 | L | 51.9 | Low | 52.4 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -99.4 | 140 | 162 | -63.6 | -179.9 | 0 | 0 | 0 | 107.7 | G156 | L154-G156 PolarHBondContact O-N 2.88Š|
| 155 | P | 45.8 | Very low | 53.5 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | trans | -62.2 | 129.3 | -161.9 | 24.6 | -34.6 | 0 | 0 | 0 | 111.6 | D157 | P155-D157 PolarHBondContact O-N 3.05Š| ||
| 156 | G | 45.5 | Very low | 54.9 | Low | 65 Ų | 65 | 119 Ų | 119 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 35.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L154 | L154-G156 PolarHBondContact O-N 2.88Š|
| 157 | D | 49 | Very low | 56.6 | Low | 128 Ų | 128 | 117 Ų | 117 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -23.5 | 177.4 | -157.5 | 60.3 | 0 | 0 | 0 | 110.9 | P155 | P155-D157 PolarHBondContact O-N 3.05Š|
| 158 | L | 49.8 | Very low | 58.4 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -42.1 | 179.7 | -69.4 | 175.4 | 0 | 0 | 0 | 113.7 | G160 Q161 E162 | L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 2.81Å; L158-Q161 WeakPolarHBondContact O-CB 3.39Å; L158-Q161 PolarHBondContact O-N 3.43Å; L158-Q161 VanDerWaalsContact O-N 3.08Å; L158-E162 PolarHBondContact O-N 2.96Å |
| 159 | E | 53.1 | Low | 60.1 | Low | 123 Ų | 123 | 119.1 Ų | 119.1 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.2 | -42.7 | 178.6 | -67.6 | -176.9 | 139.6 | 0 | 0 | 110.6 | Q161 E162 E163 | E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.39Å; E159-E162 PolarHBondContact O-N 3.32Å; E159-E163 WeakPolarHBondContact O-CG 3.39Å; E159-E163 PolarHBondContact O-N 2.81Å |
| 160 | G | 57.2 | Low | 62.1 | Low | 35 Ų | 35 | 118.7 Ų | 118.7 | 36% | 0.361 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.4 | -27.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L158 E164 | L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 2.81Å; G160-E164 WeakPolarHBondContact O-CB 3.46Å; G160-E164 PolarHBondContact O-N 3.11Å |
| 161 | Q | 58.8 | Low | 63.9 | Low | 118 Ų | 118 | 117 Ų | 117 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73 | -37.4 | 175 | -174.6 | 174.5 | 23.2 | 0 | 0 | 111.8 | L158 E159 E165 | L158-Q161 WeakPolarHBondContact O-CB 3.39Å; L158-Q161 PolarHBondContact O-N 3.43Å; L158-Q161 VanDerWaalsContact O-N 3.08Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.39Å; Q161-E165 PolarHBondContact O-N 2.8Å |
| 162 | E | 65.6 | Low | 65.8 | Low | 142 Ų | 142 | 111.4 Ų | 111.4 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.9 | -42.4 | 175.1 | -68 | -176.9 | 144.4 | 0 | 0 | 111 | L158 E159 E165 E166 | L158-E162 PolarHBondContact O-N 2.96Å; E159-E162 PolarHBondContact O-N 3.32Å; E162-E165 PolarHBondContact O-N 3.34Å; E162-E166 PolarHBondContact O-N 3.49Å |
| 163 | E | 73.4 | Confident | 67.6 | Low | 141 Ų | 141 | 105.1 Ų | 105.1 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 173.4 | -70.8 | 179.4 | 175.2 | 0 | 0 | 112.6 | E159 E166 Q167 | E159-E163 WeakPolarHBondContact O-CG 3.39Å; E159-E163 PolarHBondContact O-N 2.81Å; E163-E166 PolarHBondContact O-N 2.89Å; E163-Q167 WeakPolarHBondContact O-CB 3.48Å; E163-Q167 PolarHBondContact O-N 3.37Å |
| 164 | E | 79.8 | Confident | 69.4 | Low | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.3 | -35.6 | 176.4 | -162.7 | -174.4 | 172 | 0 | 0 | 112.2 | G160 R168 | G160-E164 WeakPolarHBondContact O-CB 3.46Å; G160-E164 PolarHBondContact O-N 3.11Å; E164-R168 VanDerWaalsContact O-CB 3.31Å; E164-R168 WeakPolarHBondContact O-CB 3.11Å; E164-R168 WeakPolarHBondContact O-CD 3.35Å; E164-R168 WeakPolarHBondContact O-CG 3.31Å; E164-R168 PolarHBondContact O-N 3.35Å |
| 165 | E | 77.3 | Confident | 70.9 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 172.6 | -173.1 | 166.5 | -169.3 | 0 | 0 | 111.4 | Q161 E162 R168 W169 | Q161-E165 PolarHBondContact O-N 2.8Å; E162-E165 PolarHBondContact O-N 3.34Å; E165-R168 PolarHBondContact O-N 3.34Å; E165-W169 WeakPolarHBondContact O-CB 3.22Å; E165-W169 PolarHBondContact O-N 3.26Å |
| 166 | E | 82.3 | Confident | 72.3 | Confident | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -48.2 | 173.9 | -175.7 | 167.8 | -170.7 | 0 | 0 | 111.5 | E162 E163 R168 W169 L170 | E162-E166 PolarHBondContact O-N 3.49Å; E163-E166 PolarHBondContact O-N 2.89Å; E166-R168 VanDerWaalsContact C-N 3.31Å; E166-R168 PolarHBondContact O-N 3.3Å; E166-W169 CarbonylContact O-C 3.55Å; E166-W169 WeakPolarHBondContact O-CA 3.28Å; E166-W169 WeakPolarHBondContact O-CB 3.46Å; E166-W169 PolarHBondContact O-N 2.91Å; E166-L170 HydrophobicContact CG-CD1 4.25Å; E166-L170 HydrophobicContact CG-CG 4.36Å; E166-L170 WeakPolarHBondContact O-CG 3.2Å; E166-L170 PolarHBondContact O-N 3.34Å |
| 167 | Q | 83.3 | Confident | 73.9 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 177.5 | -173.4 | 60.7 | 55.8 | 0 | 0 | 111.6 | E163 W169 L170 D171 | E163-Q167 WeakPolarHBondContact O-CB 3.48Å; E163-Q167 PolarHBondContact O-N 3.37Å; Q167-W169 VanDerWaalsContact C-N 3.26Å; Q167-W169 PolarHBondContact O-N 3.03Å; Q167-L170 PolarHBondContact O-N 3.08Å; Q167-D171 PolarHBondContact NE2-OD1 3.45Å; Q167-D171 WeakPolarHBondContact O-CB 3.25Å; Q167-D171 VanDerWaalsContact O-CG 3.26Å; Q167-D171 PolarHBondContact O-N 3.31Å |
| 168 | R | 81.1 | Confident | 75.1 | Confident | 140 Ų | 140 | 102.9 Ų | 102.9 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -32.2 | 174.2 | -74.8 | 173.2 | 129.6 | -76.8 | -5.3 | 112.7 | E164 E165 E166 A172 L184 | E164-R168 VanDerWaalsContact O-CB 3.31Å; E164-R168 WeakPolarHBondContact O-CB 3.11Å; E164-R168 WeakPolarHBondContact O-CD 3.35Å; E164-R168 WeakPolarHBondContact O-CG 3.31Å; E164-R168 PolarHBondContact O-N 3.35Å; E165-R168 PolarHBondContact O-N 3.34Å; E166-R168 VanDerWaalsContact C-N 3.31Å; E166-R168 PolarHBondContact O-N 3.3Å; R168-A172 WeakPolarHBondContact O-CB 3.45Å; R168-A172 PolarHBondContact O-N 3.4Å; R168-A172 VanDerWaalsContact O-N 3.11Å; R168-L184 HydrophobicContact CB-CD2 4.14Å; R168-L184 WeakPolarHBondContact O-CD1 3.47Å |
| 169 | W | 84 | Confident | 76.4 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 40% | 0.398 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.2 | -37.9 | 174.7 | -173.9 | 81.7 | 0 | 0 | 0 | 112.7 | E165 E166 Q167 A172 L173 L178 G182 L184 | E165-W169 WeakPolarHBondContact O-CB 3.22Å; E165-W169 PolarHBondContact O-N 3.26Å; E166-W169 CarbonylContact O-C 3.55Å; E166-W169 WeakPolarHBondContact O-CA 3.28Å; E166-W169 WeakPolarHBondContact O-CB 3.46Å; E166-W169 PolarHBondContact O-N 2.91Å; Q167-W169 VanDerWaalsContact C-N 3.26Å; Q167-W169 PolarHBondContact O-N 3.03Å; W169-A172 PolarHBondContact O-N 3.45Å; W169-L173 HydrophobicContact CD2-CD1 4.15Å; W169-L173 HydrophobicContact CE3-CD1 3.79Å; W169-L173 HydrophobicContact CH2-CD1 3.48Å; W169-L173 VanDerWaalsContact CH2-CD1 3.48Å; W169-L173 HydrophobicContact CZ2-CD1 3.84Å; W169-L173 HydrophobicContact CZ3-CD1 3.45Å; W169-L173 VanDerWaalsContact CZ3-CD1 3.45Å; W169-L173 WeakPolarHBondContact O-CB 3.32Å; W169-L173 PolarHBondContact O-N 3.32Å; W169-L178 HydrophobicContact CZ2-CD2 4.5Å; W169-G182 PolarHBondContact NE1-O 3.28Å; W169-G182 VanDerWaalsContact NE1-O 3.12Å; W169-L184 HydrophobicContact CB-CD1 4.11Å; W169-L184 HydrophobicContact CG-CD1 4.45Å |
| 170 | L | 83.8 | Confident | 77.5 | Confident | 74 Ų | 74 | 103.5 Ų | 103.5 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 171.5 | -66.4 | 176.1 | 0 | 0 | 0 | 111.9 | E166 Q167 A172 L173 E174 | E166-L170 HydrophobicContact CG-CD1 4.25Å; E166-L170 HydrophobicContact CG-CG 4.36Å; E166-L170 WeakPolarHBondContact O-CG 3.2Å; E166-L170 PolarHBondContact O-N 3.34Å; Q167-L170 PolarHBondContact O-N 3.08Å; L170-A172 VanDerWaalsContact C-N 3.35Å; L170-A172 PolarHBondContact O-N 3.36Å; L170-L173 WeakPolarHBondContact O-CA 3.37Å; L170-L173 VanDerWaalsContact O-CB 3.25Å; L170-L173 WeakPolarHBondContact O-CB 3.33Å; L170-L173 PolarHBondContact O-N 3.44Å; L170-L173 VanDerWaalsContact O-N 3.13Å; L170-E174 PolarHBondContact O-N 3.25Å |
| 171 | D | 85.6 | Confident | 78.2 | Confident | 83 Ų | 83 | 108.4 Ų | 108.4 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.8 | -71.6 | 2 | 0 | 0 | 0 | 111.5 | Q167 L173 E174 K175 | Q167-D171 PolarHBondContact NE2-OD1 3.45Å; Q167-D171 WeakPolarHBondContact O-CB 3.25Å; Q167-D171 VanDerWaalsContact O-CG 3.26Å; Q167-D171 PolarHBondContact O-N 3.31Å; D171-L173 VanDerWaalsContact C-N 3.31Å; D171-L173 PolarHBondContact O-N 3.05Å; D171-E174 PolarHBondContact O-N 3.17Å; D171-K175 WeakPolarHBondContact O-CB 3.43Å; D171-K175 PolarHBondContact O-N 3.45Å |
| 172 | A | 84.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 104.2 Ų | 104.2 | 12% | 0.116 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -71 | -26.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R168 W169 L170 G176 E177 L178 L184 | R168-A172 WeakPolarHBondContact O-CB 3.45Å; R168-A172 PolarHBondContact O-N 3.4Å; R168-A172 VanDerWaalsContact O-N 3.11Å; W169-A172 PolarHBondContact O-N 3.45Å; L170-A172 VanDerWaalsContact C-N 3.35Å; L170-A172 PolarHBondContact O-N 3.36Å; A172-G176 PolarHBondContact O-N 3.16Å; A172-E177 PolarHBondContact O-N 2.77Å; A172-L178 HydrophobicContact CB-CD1 3.49Å; A172-L178 VanDerWaalsContact CB-CD1 3.49Å; A172-L184 HydrophobicContact CB-CD1 3.44Å; A172-L184 VanDerWaalsContact CB-CD1 3.44Å |
| 173 | L | 83.7 | Confident | 79 | Confident | 84 Ų | 84 | 100.8 Ų | 100.8 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -50.4 | 169.9 | -106.6 | 171.7 | 0 | 0 | 0 | 111.1 | W169 L170 D171 K175 G176 L178 | W169-L173 HydrophobicContact CD2-CD1 4.15Å; W169-L173 HydrophobicContact CE3-CD1 3.79Å; W169-L173 HydrophobicContact CH2-CD1 3.48Å; W169-L173 VanDerWaalsContact CH2-CD1 3.48Å; W169-L173 HydrophobicContact CZ2-CD1 3.84Å; W169-L173 HydrophobicContact CZ3-CD1 3.45Å; W169-L173 VanDerWaalsContact CZ3-CD1 3.45Å; W169-L173 WeakPolarHBondContact O-CB 3.32Å; W169-L173 PolarHBondContact O-N 3.32Å; L170-L173 WeakPolarHBondContact O-CA 3.37Å; L170-L173 VanDerWaalsContact O-CB 3.25Å; L170-L173 WeakPolarHBondContact O-CB 3.33Å; L170-L173 PolarHBondContact O-N 3.44Å; L170-L173 VanDerWaalsContact O-N 3.13Å; D171-L173 VanDerWaalsContact C-N 3.31Å; D171-L173 PolarHBondContact O-N 3.05Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.33Å; L173-G176 PolarHBondContact O-N 2.96Å; L173-L178 HydrophobicContact CD2-CD2 3.93Å; L173-L178 HydrophobicContact CG-CD2 3.79Å |
| 174 | E | 82.1 | Confident | 78.6 | Confident | 180 Ų | 180 | 95.7 Ų | 95.7 | 84% | 0.841 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 178.1 | -176.2 | 171 | -144.3 | 0 | 0 | 111.5 | L170 D171 G176 | L170-E174 PolarHBondContact O-N 3.25Å; D171-E174 PolarHBondContact O-N 3.17Å; E174-G176 VanDerWaalsContact C-N 3.33Å; E174-G176 PolarHBondContact O-N 3.27Å |
| 175 | K | 82.7 | Confident | 78 | Confident | 140 Ų | 140 | 98 Ų | 98 | 61% | 0.609 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -78.3 | -13.1 | 178.9 | -161.1 | 177.8 | 173.9 | -148.5 | 0 | 114.1 | D171 L173 E177 | D171-K175 WeakPolarHBondContact O-CB 3.43Å; D171-K175 PolarHBondContact O-N 3.45Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.33Å; K175-E177 HydrophobicContact CD-CG 4.22Å; K175-E177 WeakPolarHBondContact CD-OE2 3.5Å; K175-E177 VanDerWaalsContact CE-CD 3.4Å; K175-E177 WeakPolarHBondContact CE-OE1 3.19Å; K175-E177 WeakPolarHBondContact CE-OE2 3.47Å; K175-E177 HydrophobicContact CG-CG 4.12Å; K175-E177 IonicContact NZ-OE1 2.75Å; K175-E177 PolarHBondContact NZ-OE1 3.04Å; K175-E177 IonicContact NZ-OE2 2.81Å; K175-E177 PolarHBondContact NZ-OE2 3.06Å |
| 176 | G | 76.7 | Confident | 77.4 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 63% | 0.629 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 28.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A172 L173 E174 | A172-G176 PolarHBondContact O-N 3.16Å; L173-G176 PolarHBondContact O-N 2.96Å; E174-G176 VanDerWaalsContact C-N 3.33Å; E174-G176 PolarHBondContact O-N 3.27Å |
| 177 | E | 78.1 | Confident | 76.5 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | trans | -98.9 | 3.1 | -178.5 | -73.3 | -174.2 | 166.9 | 0 | 0 | 114.3 | A172 K175 | A172-E177 PolarHBondContact O-N 2.77Å; K175-E177 HydrophobicContact CD-CG 4.22Å; K175-E177 WeakPolarHBondContact CD-OE2 3.5Å; K175-E177 VanDerWaalsContact CE-CD 3.4Å; K175-E177 WeakPolarHBondContact CE-OE1 3.19Å; K175-E177 WeakPolarHBondContact CE-OE2 3.47Å; K175-E177 HydrophobicContact CG-CG 4.12Å; K175-E177 IonicContact NZ-OE1 2.75Å; K175-E177 PolarHBondContact NZ-OE1 3.04Å; K175-E177 IonicContact NZ-OE2 2.81Å; K175-E177 PolarHBondContact NZ-OE2 3.06Å | ||
| 178 | L | 74.5 | Confident | 75.7 | Confident | 38 Ų | 38 | 102.2 Ų | 102.2 | 20% | 0.199 | 51% | 0.513 | C | S | . | . | trans | -56 | 147.6 | 165.2 | -103.2 | 56.1 | 0 | 0 | 0 | 111.4 | W169 A172 L173 G182 L184 | W169-L178 HydrophobicContact CZ2-CD2 4.5Å; A172-L178 HydrophobicContact CB-CD1 3.49Å; A172-L178 VanDerWaalsContact CB-CD1 3.49Å; L173-L178 HydrophobicContact CD2-CD2 3.93Å; L173-L178 HydrophobicContact CG-CD2 3.79Å; L178-G182 VanDerWaalsContact CD2-O 3.3Å; L178-G182 WeakPolarHBondContact CD2-O 3.44Å; L178-L184 HydrophobicContact CD1-CD1 4.12Å | ||
| 179 | D | 76.9 | Confident | 75 | Confident | 71 Ų | 71 | 100.9 Ų | 100.9 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | trans | -75.6 | 176.5 | 175.3 | 75.1 | 4.7 | 0 | 0 | 0 | 112.9 | N181 G182 D183 | D179-N181 PolarHBondContact O-N 2.99Å; D179-N181 WeakPolarHBondContact OD1-CA 3.43Å; D179-N181 VanDerWaalsContact OD1-CB 3.29Å; D179-N181 WeakPolarHBondContact OD1-CB 3.49Å; D179-N181 PolarHBondContact OD1-N 2.82Å; D179-G182 PolarHBondContact O-N 3.17Å; D179-G182 PolarHBondContact OD1-N 3.28Å; D179-D183 PolarHBondContact N-O 3.24Å; D179-D183 PolarHBondContact OD1-N 3.34Å | ||
| 180 | D | 76.2 | Confident | 74.5 | Confident | 178 Ų | 178 | 100 Ų | 100 | 95% | 0.952 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14 | 177.6 | -78.1 | -50.3 | 0 | 0 | 0 | 113.8 | ||
| 181 | N | 72.4 | Confident | 74.1 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -13.6 | 178.7 | -65.9 | 12.1 | 0 | 0 | 0 | 113.1 | D179 | D179-N181 PolarHBondContact O-N 2.99Å; D179-N181 WeakPolarHBondContact OD1-CA 3.43Å; D179-N181 VanDerWaalsContact OD1-CB 3.29Å; D179-N181 WeakPolarHBondContact OD1-CB 3.49Å; D179-N181 PolarHBondContact OD1-N 2.82Å |
| 182 | G | 69.4 | Low | 73.7 | Confident | 31 Ų | 31 | 110.4 Ų | 110.4 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 87.3 | 14.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | W169 L178 D179 | W169-G182 PolarHBondContact NE1-O 3.28Å; W169-G182 VanDerWaalsContact NE1-O 3.12Å; L178-G182 VanDerWaalsContact CD2-O 3.3Å; L178-G182 WeakPolarHBondContact CD2-O 3.44Å; D179-G182 PolarHBondContact O-N 3.17Å; D179-G182 PolarHBondContact OD1-N 3.28Å |
| 183 | D | 72.3 | Confident | 73.5 | Confident | 70 Ų | 70 | 111 Ų | 111 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | trans | -91.3 | 151.5 | 176.7 | -95.6 | -68.8 | 0 | 0 | 0 | 111 | D179 K186 | D179-D183 PolarHBondContact N-O 3.24Å; D179-D183 PolarHBondContact OD1-N 3.34Å; D183-K186 IonicContact OD1-NZ 3.83Å; D183-K186 PolarHBondContact OD1-NZ 2.77Å | ||
| 184 | L | 64.7 | Low | 73.3 | Confident | 34 Ų | 34 | 111.4 Ų | 111.4 | 18% | 0.178 | 56% | 0.563 | C | S | . | * | trans | -62.1 | 142.9 | 164.5 | -135.7 | 77.6 | 0 | 0 | 0 | 109.8 | R168 W169 A172 L178 K186 | R168-L184 HydrophobicContact CB-CD2 4.14Å; R168-L184 WeakPolarHBondContact O-CD1 3.47Å; W169-L184 HydrophobicContact CB-CD1 4.11Å; W169-L184 HydrophobicContact CG-CD1 4.45Å; A172-L184 HydrophobicContact CB-CD1 3.44Å; A172-L184 VanDerWaalsContact CB-CD1 3.44Å; L178-L184 HydrophobicContact CD1-CD1 4.12Å; L184-K186 WeakPolarHBondContact O-CG 3.37Å; L184-K186 PolarHBondContact O-N 3.14Å | ||
| 185 | K | 66.2 | Low | 73.3 | Confident | 176 Ų | 176 | 106.5 Ų | 106.5 | 77% | 0.765 | 55% | 0.553 | S | S | * | * | trans | -71.8 | 77.2 | -178.5 | -162 | 169.8 | -170.4 | 168.3 | 0 | 111.8 | E187 | K185-E187 PolarHBondContact O-N 3.42Š| ||
| 186 | K | 65.3 | Low | 73.3 | Confident | 126 Ų | 126 | 109.4 Ų | 109.4 | 55% | 0.548 | 56% | 0.56 | S | S | . | * | trans | -58.4 | 120 | -176.7 | -73.7 | 155.3 | -176.1 | 163.2 | 0 | 110.9 | D183 L184 I188 | D183-K186 IonicContact OD1-NZ 3.83Å; D183-K186 PolarHBondContact OD1-NZ 2.77Å; L184-K186 WeakPolarHBondContact O-CG 3.37Å; L184-K186 PolarHBondContact O-N 3.14Å; K186-I188 PolarHBondContact O-N 3.09Å; K186-I188 VanDerWaalsContact O-N 3.16Å | ||
| 187 | E | 63.1 | Low | 73.8 | Confident | 183 Ų | 183 | 110.9 Ų | 110.9 | 86% | 0.855 | 55% | 0.551 | S | S | * | * | trans | -64.7 | 114.5 | 176.6 | -68 | -170.2 | 163.5 | 0 | 0 | 110.3 | K185 N189 | K185-E187 PolarHBondContact O-N 3.42Å; E187-N189 PolarHBondContact O-N 3.48Å | ||
| 188 | I | 66.5 | Low | 74.1 | Confident | 111 Ų | 111 | 111.2 Ų | 111.2 | 57% | 0.569 | 55% | 0.547 | S | S | * | . | trans | -74.9 | 99.7 | -175.2 | -56.3 | 177.8 | 0 | 0 | 0 | 109.2 | K186 E190 L193 L201 | K186-I188 PolarHBondContact O-N 3.09Å; K186-I188 VanDerWaalsContact O-N 3.16Å; I188-E190 PolarHBondContact O-N 3.48Å; I188-L193 HydrophobicContact CG2-CD1 3.79Å; I188-L193 HydrophobicContact CG2-CD2 3.71Å; I188-L193 HydrophobicContact CG2-CG 3.9Å; I188-L201 HydrophobicContact CG2-CD1 4.48Å | ||
| 189 | N | 67.6 | Low | 74.4 | Confident | 112 Ų | 112 | 112.3 Ų | 112.3 | 60% | 0.599 | 56% | 0.561 | S | S | * | * | trans | -53.7 | 98.5 | 171.5 | -85 | -67 | 0 | 0 | 0 | 111.5 | E187 R191 L192 | E187-N189 PolarHBondContact O-N 3.48Å; N189-R191 PolarHBondContact O-N 3.28Å; N189-L192 HydrophobicContact CB-CB 4.44Å; N189-L192 HydrophobicContact CB-CD1 4.04Å; N189-L192 HydrophobicContact CB-CG 4.18Å; N189-L192 PolarHBondContact O-N 3.19Å | ||
| 190 | E | 73.2 | Confident | 74.7 | Confident | 88 Ų | 88 | 114.2 Ų | 114.2 | 41% | 0.411 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -54.4 | -28.5 | -175.8 | -70.6 | -173.7 | 161 | 0 | 0 | 112.6 | I188 L193 R198 R205 | I188-E190 PolarHBondContact O-N 3.48Å; E190-L193 PolarHBondContact O-N 2.88Å; E190-R198 PolarHBondContact O-NE 2.79Å; E190-R205 IonicContact OE1-NH1 2.81Å; E190-R205 PolarHBondContact OE1-NH1 3.02Å; E190-R205 IonicContact OE2-NH1 2.85Å |
| 191 | R | 75.7 | Confident | 74.9 | Confident | 226 Ų | 226 | 109.2 Ų | 109.2 | 85% | 0.853 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -68.8 | -26.4 | 176.6 | -70.6 | -176.3 | 176.7 | 170.2 | -0 | 114.5 | N189 R198 | N189-R191 PolarHBondContact O-N 3.28Å; R191-R198 PolarHBondContact O-NH2 3.47Å |
| 192 | L | 76.6 | Confident | 74.9 | Confident | 149 Ų | 149 | 107 Ų | 107 | 78% | 0.78 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -87.2 | -12.7 | 178.7 | -64.7 | 177.9 | 0 | 0 | 0 | 113.2 | N189 | N189-L192 HydrophobicContact CB-CB 4.44Å; N189-L192 HydrophobicContact CB-CD1 4.04Å; N189-L192 HydrophobicContact CB-CG 4.18Å; N189-L192 PolarHBondContact O-N 3.19Å |
| 193 | L | 78.9 | Confident | 75.2 | Confident | 25 Ų | 25 | 112.2 Ų | 112.2 | 13% | 0.131 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -71.4 | 140.5 | 178.3 | -66 | 177.6 | 0 | 0 | 0 | 112.8 | I188 E190 Q197 R198 L201 | I188-L193 HydrophobicContact CG2-CD1 3.79Å; I188-L193 HydrophobicContact CG2-CD2 3.71Å; I188-L193 HydrophobicContact CG2-CG 3.9Å; E190-L193 PolarHBondContact O-N 2.88Å; L193-Q197 HydrophobicContact CB-CB 4.01Å; L193-Q197 HydrophobicContact CD1-CB 4.49Å; L193-Q197 HydrophobicContact CD2-CB 4.01Å; L193-Q197 HydrophobicContact CG-CB 4.42Å; L193-R198 HydrophobicContact CB-CG 3.61Å; L193-R198 HydrophobicContact CD1-CG 4.41Å; L193-R198 PolarHBondContact O-NE 3.06Å; L193-L201 HydrophobicContact CD1-CD1 3.29Å |
| 194 | T | 80.7 | Confident | 75.1 | Confident | 94 Ų | 94 | 112.4 Ų | 112.4 | 58% | 0.577 | 56% | 0.555 | S | S | * | * | trans | -62.4 | 148.4 | 169 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | R196 Q197 R198 | T194-R196 PolarHBondContact O-N 3.06Å; T194-Q197 WeakPolarHBondContact O-CA 3.44Å; T194-Q197 WeakPolarHBondContact O-CB 3.4Å; T194-Q197 PolarHBondContact O-N 3.03Å; T194-Q197 PolarHBondContact OG1-OE1 3.34Å; T194-R198 PolarHBondContact O-N 2.9Å | ||
| 195 | A | 81.5 | Confident | 75.2 | Confident | 77 Ų | 77 | 119.1 Ų | 119.1 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -49.2 | -37.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | R198 A199 | A195-R198 PolarHBondContact O-N 2.85Å; A195-A199 WeakPolarHBondContact O-CB 3.45Å; A195-A199 PolarHBondContact O-N 2.82Å |
| 196 | R | 83 | Confident | 74.8 | Confident | 201 Ų | 201 | 113.9 Ų | 113.9 | 76% | 0.758 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.4 | -37.2 | 174.6 | -171.5 | 178.9 | -178.2 | -135.3 | 0.5 | 113.4 | T194 L200 | T194-R196 PolarHBondContact O-N 3.06Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 2.88Å; R196-L200 VanDerWaalsContact O-N 3.15Å |
| 197 | Q | 87.1 | Confident | 73.8 | Confident | 92 Ų | 92 | 113.5 Ų | 113.5 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.7 | -43.5 | 175.8 | -67.9 | 165.7 | -48.6 | 0 | 0 | 110.7 | L193 T194 A199 L200 L201 | L193-Q197 HydrophobicContact CB-CB 4.01Å; L193-Q197 HydrophobicContact CD1-CB 4.49Å; L193-Q197 HydrophobicContact CD2-CB 4.01Å; L193-Q197 HydrophobicContact CG-CB 4.42Å; T194-Q197 WeakPolarHBondContact O-CA 3.44Å; T194-Q197 WeakPolarHBondContact O-CB 3.4Å; T194-Q197 PolarHBondContact O-N 3.03Å; T194-Q197 PolarHBondContact OG1-OE1 3.34Å; Q197-A199 VanDerWaalsContact C-N 3.29Å; Q197-A199 PolarHBondContact O-N 3.28Å; Q197-L200 PolarHBondContact O-N 3.26Å; Q197-L200 VanDerWaalsContact O-N 3.14Å; Q197-L201 PolarHBondContact O-N 3.47Å |
| 198 | R | 83.5 | Confident | 72.9 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.5 | -44.1 | 172.2 | -64.7 | -172.4 | -167.6 | 165 | 6.8 | 111.4 | E190 R191 L193 T194 A195 L200 L201 Q202 | E190-R198 PolarHBondContact O-NE 2.79Å; R191-R198 PolarHBondContact O-NH2 3.47Å; L193-R198 HydrophobicContact CB-CG 3.61Å; L193-R198 HydrophobicContact CD1-CG 4.41Å; L193-R198 PolarHBondContact O-NE 3.06Å; T194-R198 PolarHBondContact O-N 2.9Å; A195-R198 PolarHBondContact O-N 2.85Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-L200 PolarHBondContact O-N 2.72Å; R198-L201 PolarHBondContact O-N 3.31Å; R198-Q202 VanDerWaalsContact O-CB 3.27Å; R198-Q202 WeakPolarHBondContact O-CB 3.47Å; R198-Q202 VanDerWaalsContact O-CG 3.29Å; R198-Q202 WeakPolarHBondContact O-CG 3.36Å; R198-Q202 PolarHBondContact O-N 3.31Å |
| 199 | A | 81 | Confident | 71.5 | Confident | 61 Ų | 61 | 108.8 Ų | 108.8 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A195 Q197 K203 | A195-A199 WeakPolarHBondContact O-CB 3.45Å; A195-A199 PolarHBondContact O-N 2.82Å; Q197-A199 VanDerWaalsContact C-N 3.29Å; Q197-A199 PolarHBondContact O-N 3.28Å; A199-K203 VanDerWaalsContact O-CB 3.24Å; A199-K203 WeakPolarHBondContact O-CB 3.33Å; A199-K203 PolarHBondContact O-N 3.27Å |
| 200 | L | 83.8 | Confident | 70.4 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.1 | -41.8 | 175.7 | -75.2 | 167.6 | 0 | 0 | 0 | 112.5 | R196 Q197 R198 K203 A204 | R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 2.88Å; R196-L200 VanDerWaalsContact O-N 3.15Å; Q197-L200 PolarHBondContact O-N 3.26Å; Q197-L200 VanDerWaalsContact O-N 3.14Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-L200 PolarHBondContact O-N 2.72Å; L200-K203 WeakPolarHBondContact O-CB 3.21Å; L200-K203 PolarHBondContact O-N 2.81Å; L200-A204 PolarHBondContact O-N 2.96Å |
| 201 | L | 79.7 | Confident | 69 | Low | 73 Ų | 73 | 108.6 Ų | 108.6 | 38% | 0.382 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.4 | -41.6 | 174.4 | -90.2 | 152.1 | 0 | 0 | 0 | 111.9 | I188 L193 Q197 R198 K203 A204 R205 | I188-L201 HydrophobicContact CG2-CD1 4.48Å; L193-L201 HydrophobicContact CD1-CD1 3.29Å; Q197-L201 PolarHBondContact O-N 3.47Å; R198-L201 PolarHBondContact O-N 3.31Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 3.42Å; L201-A204 PolarHBondContact O-N 2.9Å; L201-R205 VanDerWaalsContact O-CB 3.32Å; L201-R205 WeakPolarHBondContact O-CB 3.35Å; L201-R205 PolarHBondContact O-N 2.88Å |
| 202 | Q | 73.4 | Confident | 67.9 | Low | 91 Ų | 91 | 104.6 Ų | 104.6 | 43% | 0.425 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -42.3 | 169.1 | -74.9 | -69.8 | -14.7 | 0 | 0 | 110.8 | R198 A204 R205 S206 | R198-Q202 VanDerWaalsContact O-CB 3.27Å; R198-Q202 WeakPolarHBondContact O-CB 3.47Å; R198-Q202 VanDerWaalsContact O-CG 3.29Å; R198-Q202 WeakPolarHBondContact O-CG 3.36Å; R198-Q202 PolarHBondContact O-N 3.31Å; Q202-A204 PolarHBondContact O-N 3.05Å; Q202-R205 CarbonylContact O-C 3.58Å; Q202-R205 PolarHBondContact O-N 3.35Å; Q202-R205 VanDerWaalsContact O-N 3.14Å; Q202-S206 WeakPolarHBondContact O-CA 3.46Å; Q202-S206 WeakPolarHBondContact O-CB 3.49Å; Q202-S206 PolarHBondContact O-N 2.99Å; Q202-S206 PolarHBondContact O-OG 3.07Å |
| 203 | K | 76 | Confident | 66.8 | Low | 140 Ų | 140 | 102.8 Ų | 102.8 | 61% | 0.609 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -30.4 | 175.8 | -171.3 | 64.1 | 172.6 | -179.2 | 0 | 113.5 | A199 L200 L201 | A199-K203 VanDerWaalsContact O-CB 3.24Å; A199-K203 WeakPolarHBondContact O-CB 3.33Å; A199-K203 PolarHBondContact O-N 3.27Å; L200-K203 WeakPolarHBondContact O-CB 3.21Å; L200-K203 PolarHBondContact O-N 2.81Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 3.42Å |
| 204 | A | 70.5 | Confident | 65.8 | Low | 74 Ų | 74 | 109.1 Ų | 109.1 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.2 | -39 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L200 L201 Q202 | L200-A204 PolarHBondContact O-N 2.96Å; L201-A204 PolarHBondContact O-N 2.9Å; Q202-A204 PolarHBondContact O-N 3.05Å |
| 205 | R | 65.6 | Low | 64.3 | Low | 174 Ų | 174 | 110.4 Ų | 110.4 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -82.1 | -23.8 | -179.3 | -171.4 | 173.8 | 174.7 | -178.3 | -1.2 | 113.8 | E190 L201 Q202 | E190-R205 IonicContact OE1-NH1 2.81Å; E190-R205 PolarHBondContact OE1-NH1 3.02Å; E190-R205 IonicContact OE2-NH1 2.85Å; L201-R205 VanDerWaalsContact O-CB 3.32Å; L201-R205 WeakPolarHBondContact O-CB 3.35Å; L201-R205 PolarHBondContact O-N 2.88Å; Q202-R205 CarbonylContact O-C 3.58Å; Q202-R205 PolarHBondContact O-N 3.35Å; Q202-R205 VanDerWaalsContact O-N 3.14Å |
| 206 | S | 58.6 | Low | 62.7 | Low | 67 Ų | 67 | 113.7 Ų | 113.7 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | 23.6 | 178.6 | 91.4 | 0 | 0 | 0 | 0 | 112.2 | Q202 P208 | Q202-S206 WeakPolarHBondContact O-CA 3.46Å; Q202-S206 WeakPolarHBondContact O-CB 3.49Å; Q202-S206 PolarHBondContact O-N 2.99Å; Q202-S206 PolarHBondContact O-OG 3.07Å; S206-P208 WeakPolarHBondContact O-CD 3.46Å |
| 207 | Q | 43.7 | Very low | 60.7 | Low | 117 Ų | 117 | 107.5 Ų | 107.5 | 55% | 0.547 | 62% | 0.615 | S | S | . | * | trans | -80.9 | 90.2 | 142.6 | -75.3 | -73.4 | 4.6 | 0 | 0 | 105.9 | S209 | Q207-S209 PolarHBondContact O-N 2.97Š| ||
| 208 | P | 44.8 | Very low | 58.4 | Low | 103 Ų | 103 | 106.2 Ų | 106.2 | 67% | 0.669 | 63% | 0.626 | S | S | * | * | trans | -56.4 | 130.2 | 157.1 | 29.2 | -33 | 0 | 0 | 0 | 105 | S206 P210 | S206-P208 WeakPolarHBondContact O-CD 3.46Å; P208-P210 WeakPolarHBondContact O-CD 2.98Å | ||
| 209 | S | 36.8 | Very low | 56 | Low | 93 Ų | 93 | 104.5 Ų | 104.5 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | trans | -40 | 110.2 | 179.8 | 51 | 0 | 0 | 0 | 0 | 110.4 | Q207 T211 | Q207-S209 PolarHBondContact O-N 2.97Å; S209-T211 WeakPolarHBondContact CB-OG1 3.34Å; S209-T211 PolarHBondContact O-N 3Å; S209-T211 PolarHBondContact OG-OG1 2.93Å | ||
| 210 | P | 45.1 | Very low | 54 | Low | 85 Ų | 85 | 107.2 Ų | 107.2 | 55% | 0.552 | 66% | 0.658 | S | S | * | * | trans | -72.8 | 78.8 | 159.4 | 0.3 | 19.1 | 0 | 0 | 0 | 103.6 | P208 L212 | P208-P210 WeakPolarHBondContact O-CD 2.98Å; P210-L212 HydrophobicContact CB-CG 4.33Å; P210-L212 PolarHBondContact O-N 3Å | ||
| 211 | T | 44 | Very low | 52.4 | Low | 110 Ų | 110 | 107.4 Ų | 107.4 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | trans | -70 | 62.8 | 166.1 | -46.7 | 0 | 0 | 0 | 0 | 106.4 | S209 P213 | S209-T211 WeakPolarHBondContact CB-OG1 3.34Å; S209-T211 PolarHBondContact O-N 3Å; S209-T211 PolarHBondContact OG-OG1 2.93Å; T211-P213 VanDerWaalsContact O-CD 3.28Å; T211-P213 WeakPolarHBondContact O-CD 3.39Å | ||
| 212 | L | 52.4 | Low | 50.8 | Low | 142 Ų | 142 | 108.2 Ų | 108.2 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -83.6 | 106.5 | 164 | -66.9 | -178.6 | 0 | 0 | 0 | 104.3 | P210 L214 | P210-L212 HydrophobicContact CB-CG 4.33Å; P210-L212 PolarHBondContact O-N 3Å; L212-L214 PolarHBondContact O-N 2.89Å | ||
| 213 | P | 53.3 | Low | 49.8 | Very low | 112 Ų | 112 | 109.7 Ų | 109.7 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -65.9 | 108.1 | 176.1 | -13.7 | 30.3 | 0 | 0 | 0 | 106.9 | T211 | T211-P213 VanDerWaalsContact O-CD 3.28Å; T211-P213 WeakPolarHBondContact O-CD 3.39Å | ||
| 214 | L | 56.4 | Low | 48.6 | Very low | 157 Ų | 157 | 107.2 Ų | 107.2 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -56.4 | 128.9 | 157.4 | -76.5 | 157.9 | 0 | 0 | 0 | 106 | L212 V216 | L212-L214 PolarHBondContact O-N 2.89Å; L214-V216 PolarHBondContact O-N 2.72Å | ||
| 215 | P | 50.3 | Low | 47.9 | Very low | 122 Ų | 122 | 107.2 Ų | 107.2 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -58.7 | 125.3 | -166.9 | 21 | -32.5 | 0 | 0 | 0 | 110.4 | G217 | P215-G217 VanDerWaalsContact C-N 3.31Å; P215-G217 PolarHBondContact O-N 3.46Å | ||
| 216 | V | 48.6 | Very low | 47.9 | Very low | 146 Ų | 146 | 102.7 Ų | 102.7 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | trans | -67.7 | 90.3 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 109 | L214 | L214-V216 PolarHBondContact O-N 2.72Š| ||
| 217 | G | 40.9 | Very low | 48.5 | Very low | 71 Ų | 71 | 106.8 Ų | 106.8 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | -95.1 | 106 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P215 | P215-G217 VanDerWaalsContact C-N 3.31Å; P215-G217 PolarHBondContact O-N 3.46Å | ||
| 218 | G | 38.4 | Very low | 50.1 | Low | 65 Ų | 65 | 106.9 Ų | 106.9 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | trans | 40.1 | 104 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | C220 | G218-C220 PolarHBondContact O-N 2.9Å; G218-C220 VanDerWaalsContact O-N 3.08Å | ||
| 219 | G | 32 | Very low | 51.6 | Low | 80 Ų | 80 | 107.3 Ų | 107.3 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | trans | -58 | 114.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 220 | C | 39.4 | Very low | 53.5 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 126.4 | 146.9 | -62.1 | 0 | 0 | 0 | 0 | 106.9 | G218 A222 | G218-C220 PolarHBondContact O-N 2.9Å; G218-C220 VanDerWaalsContact O-N 3.08Å; C220-A222 PolarHBondContact O-N 3.45Å |
| 221 | P | 50.6 | Low | 55.3 | Low | 116 Ų | 116 | 108.2 Ų | 108.2 | 75% | 0.753 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 140.2 | 166.2 | 26 | -32.9 | 0 | 0 | 0 | 107.8 | P223 | P221-P223 VanDerWaalsContact O-N 3.11Š|
| 222 | A | 45.5 | Very low | 57.2 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 125.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | C220 A224 | C220-A222 PolarHBondContact O-N 3.45Å; A222-A224 PolarHBondContact O-N 3.15Å |
| 223 | P | 52.1 | Low | 58.5 | Low | 121 Ų | 121 | 110.8 Ų | 110.8 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | trans | -56.9 | 112.5 | -171.6 | 21.8 | -32.5 | 0 | 0 | 0 | 107 | P221 L225 | P221-P223 VanDerWaalsContact O-N 3.11Å; P223-L225 PolarHBondContact O-N 3.14Å | ||
| 224 | A | 50.8 | Low | 60 | Low | 89 Ų | 89 | 111.2 Ų | 111.2 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | -52.6 | 111.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | A222 T226 | A222-A224 PolarHBondContact O-N 3.15Å; A224-T226 VanDerWaalsContact C-N 3.28Å; A224-T226 PolarHBondContact O-N 2.85Å | ||
| 225 | L | 57.1 | Low | 61.5 | Low | 74 Ų | 74 | 110 Ų | 110 | 39% | 0.387 | 66% | 0.66 | S | S | . | * | trans | -66.8 | 97.5 | -169.4 | -175 | 68.9 | 0 | 0 | 0 | 105.5 | P223 M229 L230 | P223-L225 PolarHBondContact O-N 3.14Å; L225-M229 HydrophobicContact CD1-CB 3.65Å; L225-M229 HydrophobicContact CD1-CE 3.93Å; L225-M229 HydrophobicContact CD1-SD 4.17Å; L225-M229 HydrophobicContact CG-CB 4.11Å; L225-L230 HydrophobicContact CB-CG 4.47Å; L225-L230 HydrophobicContact CD2-CD2 3.58Å; L225-L230 HydrophobicContact CD2-CG 3.69Å; L225-L230 HydrophobicContact CG-CD2 4.39Å; L225-L230 HydrophobicContact CG-CG 3.94Å | ||
| 226 | T | 65.8 | Low | 63.3 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | trans | -55 | 146.9 | -169.3 | 55 | 0 | 0 | 0 | 0 | 108.5 | A224 E228 M229 L230 | A224-T226 VanDerWaalsContact C-N 3.28Å; A224-T226 PolarHBondContact O-N 2.85Å; T226-E228 PolarHBondContact O-N 3.38Å; T226-M229 WeakPolarHBondContact O-CA 3.24Å; T226-M229 WeakPolarHBondContact O-CB 3.4Å; T226-M229 PolarHBondContact O-N 2.82Å; T226-M229 WeakPolarHBondContact OG1-CG 3.37Å; T226-L230 PolarHBondContact O-N 2.95Å | ||
| 227 | E | 70.9 | Confident | 65.3 | Low | 152 Ų | 152 | 107.7 Ų | 107.7 | 71% | 0.71 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -51.9 | -37 | -176.3 | -166 | 178.6 | 164.7 | 0 | 0 | 111.3 | M229 L230 L231 | E227-M229 PolarHBondContact O-N 3.42Å; E227-L230 WeakPolarHBondContact O-CB 3.31Å; E227-L230 PolarHBondContact O-N 2.96Å; E227-L231 HydrophobicContact CG-CD1 4.34Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.24Å; E227-L231 WeakPolarHBondContact O-CG 3.42Å; E227-L231 PolarHBondContact O-N 3.12Å |
| 228 | E | 77.6 | Confident | 67.7 | Low | 120 Ų | 120 | 113.5 Ų | 113.5 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.9 | -40.9 | 171.9 | -156.4 | -133.2 | 140.8 | 0 | 0 | 113.7 | T226 K232 | T226-E228 PolarHBondContact O-N 3.38Å; E228-K232 WeakPolarHBondContact O-CB 3.49Å; E228-K232 PolarHBondContact O-N 2.9Å; E228-K232 IonicContact OE1-NZ 2.81Å; E228-K232 PolarHBondContact OE1-NZ 3.49Å |
| 229 | M | 75.2 | Confident | 70.3 | Confident | 111 Ų | 111 | 118 Ų | 118 | 55% | 0.547 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.3 | -34.7 | 176 | -76.3 | -165.1 | 70 | 0 | 0 | 113.1 | L225 T226 E227 R233 | L225-M229 HydrophobicContact CD1-CB 3.65Å; L225-M229 HydrophobicContact CD1-CE 3.93Å; L225-M229 HydrophobicContact CD1-SD 4.17Å; L225-M229 HydrophobicContact CG-CB 4.11Å; T226-M229 WeakPolarHBondContact O-CA 3.24Å; T226-M229 WeakPolarHBondContact O-CB 3.4Å; T226-M229 PolarHBondContact O-N 2.82Å; T226-M229 WeakPolarHBondContact OG1-CG 3.37Å; E227-M229 PolarHBondContact O-N 3.42Å; M229-R233 WeakPolarHBondContact O-CB 3.43Å; M229-R233 PolarHBondContact O-N 3.34Å; M229-R233 VanDerWaalsContact O-N 3.12Å |
| 230 | L | 76.5 | Confident | 73.1 | Confident | 93 Ų | 93 | 123 Ų | 123 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.4 | -53.1 | 169.7 | -85.7 | 163 | 0 | 0 | 0 | 110 | L225 T226 E227 K232 R233 E234 | L225-L230 HydrophobicContact CB-CG 4.47Å; L225-L230 HydrophobicContact CD2-CD2 3.58Å; L225-L230 HydrophobicContact CD2-CG 3.69Å; L225-L230 HydrophobicContact CG-CD2 4.39Å; L225-L230 HydrophobicContact CG-CG 3.94Å; T226-L230 PolarHBondContact O-N 2.95Å; E227-L230 WeakPolarHBondContact O-CB 3.31Å; E227-L230 PolarHBondContact O-N 2.96Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 2.81Å; L230-R233 WeakPolarHBondContact O-CA 3.38Å; L230-R233 WeakPolarHBondContact O-CB 3.07Å; L230-R233 PolarHBondContact O-N 3.05Å; L230-E234 WeakPolarHBondContact O-CB 3.28Å; L230-E234 PolarHBondContact O-N 2.89Å |
| 231 | L | 83.8 | Confident | 75.6 | Confident | 104 Ų | 104 | 126.1 Ų | 126.1 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.8 | -40.6 | 178.2 | -67.5 | 170.5 | 0 | 0 | 0 | 112.3 | E227 R233 E234 E235 | E227-L231 HydrophobicContact CG-CD1 4.34Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.24Å; E227-L231 WeakPolarHBondContact O-CG 3.42Å; E227-L231 PolarHBondContact O-N 3.12Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 2.85Å; L231-E234 PolarHBondContact O-N 2.8Å; L231-E235 WeakPolarHBondContact O-CB 3.48Å; L231-E235 PolarHBondContact O-N 3.36Å |
| 232 | K | 83.1 | Confident | 77.7 | Confident | 124 Ų | 124 | 126.7 Ų | 126.7 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.1 | -38.3 | 173.3 | -137.4 | 78.5 | 158 | -154.4 | 0 | 112.5 | E228 L230 R236 | E228-K232 WeakPolarHBondContact O-CB 3.49Å; E228-K232 PolarHBondContact O-N 2.9Å; E228-K232 IonicContact OE1-NZ 2.81Å; E228-K232 PolarHBondContact OE1-NZ 3.49Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 2.81Å; K232-R236 WeakPolarHBondContact O-CB 2.98Å; K232-R236 PolarHBondContact O-N 3.04Å |
| 233 | R | 79.5 | Confident | 79.9 | Confident | 182 Ų | 182 | 127.6 Ų | 127.6 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.6 | -42.6 | -179.1 | -174.8 | 175.9 | 179 | 164.3 | -2.5 | 111.1 | M229 L230 L231 R236 A237 | M229-R233 WeakPolarHBondContact O-CB 3.43Å; M229-R233 PolarHBondContact O-N 3.34Å; M229-R233 VanDerWaalsContact O-N 3.12Å; L230-R233 WeakPolarHBondContact O-CA 3.38Å; L230-R233 WeakPolarHBondContact O-CB 3.07Å; L230-R233 PolarHBondContact O-N 3.05Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 2.85Å; R233-R236 PolarHBondContact O-N 3.45Å; R233-A237 WeakPolarHBondContact O-CB 3.37Å; R233-A237 PolarHBondContact O-N 3.23Å |
| 234 | E | 85.8 | Confident | 81.9 | Confident | 122 Ų | 122 | 124.8 Ų | 124.8 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.8 | -51.8 | 172.4 | -175 | 94.8 | -109.8 | 0 | 0 | 110.9 | L230 L231 R236 A237 R238 | L230-E234 WeakPolarHBondContact O-CB 3.28Å; L230-E234 PolarHBondContact O-N 2.89Å; L231-E234 PolarHBondContact O-N 2.8Å; E234-R236 VanDerWaalsContact C-N 3.35Å; E234-R236 PolarHBondContact O-N 3.29Å; E234-A237 CarbonylContact O-C 3.56Å; E234-A237 WeakPolarHBondContact O-CA 3.49Å; E234-A237 WeakPolarHBondContact O-CB 3.32Å; E234-A237 PolarHBondContact O-N 2.81Å; E234-R238 WeakPolarHBondContact O-CB 3.29Å; E234-R238 PolarHBondContact O-N 2.98Å |
| 235 | E | 87.3 | Confident | 84 | Confident | 132 Ų | 132 | 123.3 Ų | 123.3 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.7 | -44.8 | 178.9 | -170 | -167.2 | -161.6 | 0 | 0 | 111.3 | L231 A237 R238 K239 | L231-E235 WeakPolarHBondContact O-CB 3.48Å; L231-E235 PolarHBondContact O-N 3.36Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 2.97Å; E235-R238 PolarHBondContact O-N 2.69Å; E235-K239 WeakPolarHBondContact O-CB 3.27Å; E235-K239 PolarHBondContact O-N 3Å |
| 236 | R | 88.9 | Confident | 85.7 | Confident | 188 Ų | 188 | 128.4 Ų | 128.4 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -38.3 | 174 | 178.2 | -179.3 | -90.9 | -160.9 | -3.6 | 111.7 | K232 R233 E234 R240 | K232-R236 WeakPolarHBondContact O-CB 2.98Å; K232-R236 PolarHBondContact O-N 3.04Å; R233-R236 PolarHBondContact O-N 3.45Å; E234-R236 VanDerWaalsContact C-N 3.35Å; E234-R236 PolarHBondContact O-N 3.29Å; R236-R240 WeakPolarHBondContact O-CG 3.5Å; R236-R240 PolarHBondContact O-N 3.19Å; R236-R240 VanDerWaalsContact O-N 3.11Å |
| 237 | A | 90.4 | Very high | 87.1 | Confident | 31 Ų | 31 | 132.4 Ų | 132.4 | 26% | 0.256 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R233 E234 E235 K239 R240 R241 | R233-A237 WeakPolarHBondContact O-CB 3.37Å; R233-A237 PolarHBondContact O-N 3.23Å; E234-A237 CarbonylContact O-C 3.56Å; E234-A237 WeakPolarHBondContact O-CA 3.49Å; E234-A237 WeakPolarHBondContact O-CB 3.32Å; E234-A237 PolarHBondContact O-N 2.81Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 2.97Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.24Å; A237-R240 WeakPolarHBondContact O-CB 3.49Å; A237-R240 PolarHBondContact O-N 3.04Å; A237-R240 VanDerWaalsContact O-N 3.12Å; A237-R241 PolarHBondContact O-N 2.87Å |
| 238 | R | 90.9 | Very high | 88.1 | Confident | 193 Ų | 193 | 128.2 Ų | 128.2 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.1 | -44.5 | 174.2 | -170.9 | 179.8 | -179.1 | -164.7 | 1.3 | 111.5 | E234 E235 R240 R241 L242 | E234-R238 WeakPolarHBondContact O-CB 3.29Å; E234-R238 PolarHBondContact O-N 2.98Å; E235-R238 PolarHBondContact O-N 2.69Å; R238-R240 VanDerWaalsContact C-N 3.34Å; R238-R240 PolarHBondContact O-N 3.49Å; R238-R241 PolarHBondContact O-N 3.14Å; R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 PolarHBondContact O-N 2.89Å |
| 239 | K | 93.4 | Very high | 88.8 | Confident | 160 Ų | 160 | 128.1 Ų | 128.1 | 70% | 0.696 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63 | -36.5 | 176 | -169.4 | 168.1 | -173.8 | 165.9 | 0 | 112.8 | E235 A237 Q243 | E235-K239 WeakPolarHBondContact O-CB 3.27Å; E235-K239 PolarHBondContact O-N 3Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.24Å; K239-Q243 WeakPolarHBondContact O-CB 3.45Å; K239-Q243 PolarHBondContact O-N 2.72Å; K239-Q243 VanDerWaalsContact O-N 3.11Å |
| 240 | R | 90.3 | Very high | 89.7 | Confident | 183 Ų | 183 | 127.5 Ų | 127.5 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.6 | -44.7 | 172.5 | -74.6 | 176.9 | 67.4 | -130.8 | -0.6 | 112.1 | R236 A237 R238 Q243 A244 | R236-R240 WeakPolarHBondContact O-CG 3.5Å; R236-R240 PolarHBondContact O-N 3.19Å; R236-R240 VanDerWaalsContact O-N 3.11Å; A237-R240 WeakPolarHBondContact O-CB 3.49Å; A237-R240 PolarHBondContact O-N 3.04Å; A237-R240 VanDerWaalsContact O-N 3.12Å; R238-R240 VanDerWaalsContact C-N 3.34Å; R238-R240 PolarHBondContact O-N 3.49Å; R240-Q243 PolarHBondContact O-N 3.25Å; R240-A244 PolarHBondContact O-N 2.98Å |
| 241 | R | 92.6 | Very high | 90.5 | Very high | 185 Ų | 185 | 128.7 Ų | 128.7 | 70% | 0.698 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.2 | -48.5 | 175.7 | -73 | 177.4 | 174.7 | 167.4 | -1.7 | 110.9 | A237 R238 Q243 A244 A245 | A237-R241 PolarHBondContact O-N 2.87Å; R238-R241 PolarHBondContact O-N 3.14Å; R241-Q243 PolarHBondContact O-N 2.67Å; R241-A244 PolarHBondContact O-N 3.47Å; R241-A245 PolarHBondContact O-N 2.91Å |
| 242 | L | 94 | Very high | 91.1 | Very high | 127 Ų | 127 | 130.3 Ų | 130.3 | 67% | 0.665 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.4 | -39.9 | 177.8 | -173.7 | 64.4 | 0 | 0 | 0 | 112.9 | R238 A244 A245 R246 | R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 PolarHBondContact O-N 2.89Å; L242-A244 VanDerWaalsContact C-N 3.35Å; L242-A245 PolarHBondContact O-N 3.39Å; L242-R246 WeakPolarHBondContact O-CB 3.47Å; L242-R246 PolarHBondContact O-N 2.96Å |
| 243 | Q | 92.9 | Very high | 91.6 | Very high | 110 Ų | 110 | 127.9 Ų | 127.9 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.2 | -36 | 175.5 | -176.4 | 177 | 77.6 | 0 | 0 | 112.4 | K239 R240 R241 R247 | K239-Q243 WeakPolarHBondContact O-CB 3.45Å; K239-Q243 PolarHBondContact O-N 2.72Å; K239-Q243 VanDerWaalsContact O-N 3.11Å; R240-Q243 PolarHBondContact O-N 3.25Å; R241-Q243 PolarHBondContact O-N 2.67Å; Q243-R247 WeakPolarHBondContact O-CG 3.37Å; Q243-R247 PolarHBondContact O-N 3Å |
| 244 | A | 93.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 122.7 Ų | 122.7 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.5 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R240 R241 L242 R246 R247 A248 | R240-A244 PolarHBondContact O-N 2.98Å; R241-A244 PolarHBondContact O-N 3.47Å; L242-A244 VanDerWaalsContact C-N 3.35Å; A244-R246 PolarHBondContact O-N 3.19Å; A244-R247 PolarHBondContact O-N 3.49Å; A244-A248 PolarHBondContact O-N 3.2Å |
| 245 | A | 93.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 119.5 Ų | 119.5 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.8 | -50.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R241 L242 R247 A248 E249 | R241-A245 PolarHBondContact O-N 2.91Å; L242-A245 PolarHBondContact O-N 3.39Å; A245-R247 VanDerWaalsContact C-N 3.3Å; A245-R247 PolarHBondContact O-N 3.1Å; A245-A248 PolarHBondContact O-N 2.78Å; A245-A248 VanDerWaalsContact O-N 3.1Å; A245-E249 PolarHBondContact O-N 3.24Å |
| 246 | R | 94.4 | Very high | 92.5 | Very high | 182 Ų | 182 | 117.1 Ų | 117.1 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.9 | -39.6 | 177.3 | -172.6 | -179.7 | -179.4 | -136.8 | -4.4 | 112.8 | L242 A244 E250 | L242-R246 WeakPolarHBondContact O-CB 3.47Å; L242-R246 PolarHBondContact O-N 2.96Å; A244-R246 PolarHBondContact O-N 3.19Å; R246-E250 VanDerWaalsContact O-CB 3.28Å; R246-E250 WeakPolarHBondContact O-CB 3.47Å; R246-E250 PolarHBondContact O-N 3.16Å |
| 247 | R | 93.7 | Very high | 92.6 | Very high | 162 Ų | 162 | 114.2 Ų | 114.2 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.6 | -36.7 | 176.8 | -76.7 | 177.4 | 176.3 | 173.8 | 1.9 | 112.7 | Q243 A244 A245 H251 | Q243-R247 WeakPolarHBondContact O-CG 3.37Å; Q243-R247 PolarHBondContact O-N 3Å; A244-R247 PolarHBondContact O-N 3.49Å; A245-R247 VanDerWaalsContact C-N 3.3Å; A245-R247 PolarHBondContact O-N 3.1Å; R247-H251 VanDerWaalsContact O-CB 3.31Å; R247-H251 WeakPolarHBondContact O-CB 3.49Å; R247-H251 PolarHBondContact O-N 2.9Å |
| 248 | A | 92.5 | Very high | 92.5 | Very high | 65 Ų | 65 | 120.2 Ų | 120.2 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A244 A245 H251 K252 | A244-A248 PolarHBondContact O-N 3.2Å; A245-A248 PolarHBondContact O-N 2.78Å; A245-A248 VanDerWaalsContact O-N 3.1Å; A248-H251 PolarHBondContact O-N 3.31Å; A248-K252 WeakPolarHBondContact O-CB 3.28Å; A248-K252 PolarHBondContact O-N 2.85Å |
| 249 | E | 93.3 | Very high | 92.4 | Very high | 117 Ų | 117 | 116.5 Ų | 116.5 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 175.1 | -165.3 | -169 | 169.3 | 0 | 0 | 111.8 | A245 H251 K252 N253 | A245-E249 PolarHBondContact O-N 3.24Å; E249-H251 VanDerWaalsContact C-N 3.28Å; E249-H251 PolarHBondContact O-N 3.42Å; E249-K252 WeakPolarHBondContact O-CB 3.4Å; E249-K252 PolarHBondContact O-N 3.01Å; E249-K252 VanDerWaalsContact O-N 3.12Å; E249-N253 WeakPolarHBondContact O-CB 3.46Å; E249-N253 VanDerWaalsContact O-CG 3.3Å; E249-N253 PolarHBondContact O-N 2.82Å |
| 250 | E | 94 | Very high | 92 | Very high | 99 Ų | 99 | 112.9 Ų | 112.9 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 175.4 | -168.7 | -176.9 | 164.8 | 0 | 0 | 111.5 | R246 N253 Q254 | R246-E250 VanDerWaalsContact O-CB 3.28Å; R246-E250 WeakPolarHBondContact O-CB 3.47Å; R246-E250 PolarHBondContact O-N 3.16Å; E250-N253 PolarHBondContact O-N 3.29Å; E250-Q254 WeakPolarHBondContact O-CB 3.08Å; E250-Q254 VanDerWaalsContact O-CG 3.28Å; E250-Q254 WeakPolarHBondContact O-CG 3.37Å; E250-Q254 PolarHBondContact O-N 3.04Å; E250-Q254 PolarHBondContact OE1-NE2 3.42Å |
| 251 | H | 93.4 | Very high | 91.5 | Very high | 117 Ų | 117 | 111.9 Ų | 111.9 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 174.2 | -174.9 | -94 | 0 | 0 | 0 | 113 | R247 A248 E249 T255 | R247-H251 VanDerWaalsContact O-CB 3.31Å; R247-H251 WeakPolarHBondContact O-CB 3.49Å; R247-H251 PolarHBondContact O-N 2.9Å; A248-H251 PolarHBondContact O-N 3.31Å; E249-H251 VanDerWaalsContact C-N 3.28Å; E249-H251 PolarHBondContact O-N 3.42Å; H251-T255 WeakPolarHBondContact O-CB 3.46Å; H251-T255 PolarHBondContact O-N 2.75Å; H251-T255 PolarHBondContact O-OG1 3.45Å |
| 252 | K | 95 | Very high | 90 | Very high | 139 Ų | 139 | 108.5 Ų | 108.5 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -47.3 | 172.6 | -173.1 | 178.8 | 179.8 | -179.4 | 0 | 110.4 | A248 E249 T255 I256 | A248-K252 WeakPolarHBondContact O-CB 3.28Å; A248-K252 PolarHBondContact O-N 2.85Å; E249-K252 WeakPolarHBondContact O-CB 3.4Å; E249-K252 PolarHBondContact O-N 3.01Å; E249-K252 VanDerWaalsContact O-N 3.12Å; K252-T255 WeakPolarHBondContact O-CA 3.38Å; K252-T255 WeakPolarHBondContact O-CB 3.42Å; K252-T255 PolarHBondContact O-N 3.18Å; K252-I256 HydrophobicContact CG-CD1 4.11Å; K252-I256 WeakPolarHBondContact O-CG1 3.49Å; K252-I256 PolarHBondContact O-N 2.84Å |
| 253 | N | 93.3 | Very high | 88.3 | Confident | 72 Ų | 72 | 106.3 Ų | 106.3 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 178.8 | -68 | -14.3 | 0 | 0 | 0 | 111.8 | E249 E250 T255 I256 E257 | E249-N253 WeakPolarHBondContact O-CB 3.46Å; E249-N253 VanDerWaalsContact O-CG 3.3Å; E249-N253 PolarHBondContact O-N 2.82Å; E250-N253 PolarHBondContact O-N 3.29Å; N253-T255 PolarHBondContact O-N 2.91Å; N253-I256 PolarHBondContact O-N 3.42Å; N253-E257 WeakPolarHBondContact O-CB 3.43Å; N253-E257 WeakPolarHBondContact O-CG 3.45Å; N253-E257 PolarHBondContact O-N 2.97Å |
| 254 | Q | 92.5 | Very high | 86.5 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 34% | 0.341 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -31.5 | 171 | -75.6 | -179.4 | 34.7 | 0 | 0 | 112.9 | E250 R258 | E250-Q254 WeakPolarHBondContact O-CB 3.08Å; E250-Q254 VanDerWaalsContact O-CG 3.28Å; E250-Q254 WeakPolarHBondContact O-CG 3.37Å; E250-Q254 PolarHBondContact O-N 3.04Å; E250-Q254 PolarHBondContact OE1-NE2 3.42Å; Q254-R258 WeakPolarHBondContact O-CB 3.34Å; Q254-R258 WeakPolarHBondContact O-CG 3.3Å; Q254-R258 PolarHBondContact O-N 3.28Å |
| 255 | T | 90.2 | Very high | 84.4 | Confident | 55 Ų | 55 | 107 Ų | 107 | 34% | 0.337 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.9 | -44 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 111 | H251 K252 N253 R258 L259 | H251-T255 WeakPolarHBondContact O-CB 3.46Å; H251-T255 PolarHBondContact O-N 2.75Å; H251-T255 PolarHBondContact O-OG1 3.45Å; K252-T255 WeakPolarHBondContact O-CA 3.38Å; K252-T255 WeakPolarHBondContact O-CB 3.42Å; K252-T255 PolarHBondContact O-N 3.18Å; N253-T255 PolarHBondContact O-N 2.91Å; T255-R258 PolarHBondContact O-N 2.94Å; T255-L259 HydrophobicContact CG2-CD1 4.16Å; T255-L259 WeakPolarHBondContact O-CG 3.44Å; T255-L259 PolarHBondContact O-N 3.21Å |
| 256 | I | 90.3 | Very high | 82.4 | Confident | 83 Ų | 83 | 109.7 Ų | 109.7 | 43% | 0.426 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.6 | -46.3 | 173.1 | -65.3 | 164.3 | 0 | 0 | 0 | 110.4 | K252 N253 R258 L259 T260 | K252-I256 HydrophobicContact CG-CD1 4.11Å; K252-I256 WeakPolarHBondContact O-CG1 3.49Å; K252-I256 PolarHBondContact O-N 2.84Å; N253-I256 PolarHBondContact O-N 3.42Å; I256-R258 PolarHBondContact O-N 3.48Å; I256-L259 PolarHBondContact O-N 3.48Å; I256-T260 HydrophobicContact CG2-CG2 4.17Å; I256-T260 WeakPolarHBondContact O-CB 3.39Å; I256-T260 WeakPolarHBondContact O-CG2 3.44Å; I256-T260 PolarHBondContact O-N 3.43Å; I256-T260 PolarHBondContact O-OG1 2.97Å |
| 257 | E | 90.1 | Very high | 80.3 | Confident | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.4 | -44.3 | 175.1 | -79 | -169.8 | -177.9 | 0 | 0 | 112.3 | N253 T260 K261 | N253-E257 WeakPolarHBondContact O-CB 3.43Å; N253-E257 WeakPolarHBondContact O-CG 3.45Å; N253-E257 PolarHBondContact O-N 2.97Å; E257-T260 WeakPolarHBondContact CA-OG1 3.39Å; E257-T260 PolarHBondContact O-OG1 3.29Å; E257-K261 WeakPolarHBondContact O-CB 3.29Å; E257-K261 PolarHBondContact O-N 3.11Å |
| 258 | R | 89.1 | Confident | 78.1 | Confident | 158 Ų | 158 | 108.6 Ų | 108.6 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.5 | -47.8 | 177.1 | -75.2 | 170.7 | -163.7 | -179 | 10.7 | 111.5 | Q254 T255 I256 T262 | Q254-R258 WeakPolarHBondContact O-CB 3.34Å; Q254-R258 WeakPolarHBondContact O-CG 3.3Å; Q254-R258 PolarHBondContact O-N 3.28Å; T255-R258 PolarHBondContact O-N 2.94Å; I256-R258 PolarHBondContact O-N 3.48Å; R258-T262 WeakPolarHBondContact O-CB 3.47Å; R258-T262 WeakPolarHBondContact O-CG2 3.46Å; R258-T262 PolarHBondContact O-N 3.08Å; R258-T262 VanDerWaalsContact O-N 3.09Å; R258-T262 PolarHBondContact O-OG1 3.24Å |
| 259 | L | 87.2 | Confident | 75.6 | Confident | 115 Ų | 115 | 109.4 Ų | 109.4 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.2 | -52.6 | -179.9 | -69.3 | 169.9 | 0 | 0 | 0 | 111.3 | T255 I256 K261 T262 A263 | T255-L259 HydrophobicContact CG2-CD1 4.16Å; T255-L259 WeakPolarHBondContact O-CG 3.44Å; T255-L259 PolarHBondContact O-N 3.21Å; I256-L259 PolarHBondContact O-N 3.48Å; L259-K261 PolarHBondContact O-N 3.18Å; L259-T262 PolarHBondContact O-N 3.38Å; L259-T262 PolarHBondContact O-OG1 3.37Å; L259-T262 VanDerWaalsContact O-OG1 3.14Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 3.01Å |
| 260 | T | 87 | Confident | 73.3 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64 | -41.4 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | I256 E257 T262 A263 A264 | I256-T260 HydrophobicContact CG2-CG2 4.17Å; I256-T260 WeakPolarHBondContact O-CB 3.39Å; I256-T260 WeakPolarHBondContact O-CG2 3.44Å; I256-T260 PolarHBondContact O-N 3.43Å; I256-T260 PolarHBondContact O-OG1 2.97Å; E257-T260 WeakPolarHBondContact CA-OG1 3.39Å; E257-T260 PolarHBondContact O-OG1 3.29Å; T260-T262 PolarHBondContact O-N 2.78Å; T260-A263 PolarHBondContact O-N 2.98Å; T260-A264 PolarHBondContact O-N 3.33Å |
| 261 | K | 79 | Confident | 70.9 | Confident | 162 Ų | 162 | 115.5 Ų | 115.5 | 70% | 0.704 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.8 | -20.9 | -178.4 | -163.8 | 166.2 | -173.7 | 166.7 | 0 | 113.9 | E257 L259 | E257-K261 WeakPolarHBondContact O-CB 3.29Å; E257-K261 PolarHBondContact O-N 3.11Å; L259-K261 PolarHBondContact O-N 3.18Å |
| 262 | T | 61.5 | Low | 68.6 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -87.2 | -22.9 | 168.7 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | R258 L259 T260 | R258-T262 WeakPolarHBondContact O-CB 3.47Å; R258-T262 WeakPolarHBondContact O-CG2 3.46Å; R258-T262 PolarHBondContact O-N 3.08Å; R258-T262 VanDerWaalsContact O-N 3.09Å; R258-T262 PolarHBondContact O-OG1 3.24Å; L259-T262 PolarHBondContact O-N 3.38Å; L259-T262 PolarHBondContact O-OG1 3.37Å; L259-T262 VanDerWaalsContact O-OG1 3.14Å; T260-T262 PolarHBondContact O-N 2.78Å |
| 263 | A | 58.7 | Low | 66 | Low | 80 Ų | 80 | 112 Ų | 112 | 66% | 0.661 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.9 | -28 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L259 T260 P265 | L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 3.01Å; T260-A263 PolarHBondContact O-N 2.98Å; A263-P265 WeakPolarHBondContact O-CD 3.28Å |
| 264 | A | 53.8 | Low | 63.7 | Low | 55 Ų | 55 | 112.7 Ų | 112.7 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -67.8 | 122.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T260 S266 | T260-A264 PolarHBondContact O-N 3.33Å; A264-S266 PolarHBondContact O-N 3.03Å |
| 265 | P | 49.5 | Very low | 61.5 | Low | 131 Ų | 131 | 121.2 Ų | 121.2 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -75.6 | 73 | -178 | 31.7 | -35.8 | 0 | 0 | 0 | 111.3 | A263 G267 | A263-P265 WeakPolarHBondContact O-CD 3.28Å; P265-G267 PolarHBondContact O-N 3Å | ||
| 266 | S | 52.1 | Low | 59.4 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -69.5 | 101.6 | 174 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | A264 R268 | A264-S266 PolarHBondContact O-N 3.03Å; S266-R268 PolarHBondContact O-N 3.29Å | ||
| 267 | G | 50.2 | Low | 57.3 | Low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -62.2 | 119.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P265 G269 | P265-G267 PolarHBondContact O-N 3Å; G267-G269 PolarHBondContact O-N 2.76Å | ||
| 268 | R | 46.4 | Very low | 55.2 | Low | 254 Ų | 254 | 132.3 Ų | 132.3 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 27.2 | 92 | 142.2 | -168.7 | -179.9 | -175.8 | -122.9 | 4.8 | 117 | S266 | S266-R268 PolarHBondContact O-N 3.29Š|
| 269 | G | 41.9 | Very low | 53.1 | Low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 104.5 | 123.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G267 | G267-G269 PolarHBondContact O-N 2.76Š| ||
| 270 | G | 44 | Very low | 50.8 | Low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 159.4 | 80.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G272 | G270-G272 PolarHBondContact O-N 2.91Š| ||
| 271 | R | 42.8 | Very low | 48.5 | Very low | 264 Ų | 264 | 134 Ų | 134 | 100% | 0.996 | 80% | 0.804 | S | S | * | * | trans | -71 | 110.4 | 164.1 | -71.5 | 171.3 | 164.2 | -130.4 | -0.6 | 107.5 | ||||
| 272 | G | 45.5 | Very low | 46.8 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -178.7 | 73.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | G270 | G270-G272 PolarHBondContact O-N 2.91Š| ||
| 273 | A | 40.7 | Very low | 46.1 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -85.2 | 110.4 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 274 | A | 46.1 | Very low | 45.9 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 177.5 | 138.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 275 | R | 45.4 | Very low | 46.3 | Very low | 251 Ų | 251 | 139.6 Ų | 139.6 | 95% | 0.947 | 84% | 0.838 | S | S | * | * | trans | 49.7 | 115.3 | 148.4 | -65.2 | 173.3 | 168.5 | -94.2 | -0.4 | 118.6 | ||||
| 276 | G | 46.3 | Very low | 46.8 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -172.5 | 37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | R278 | G276-R278 PolarHBondContact O-N 2.96Š| ||
| 277 | E | 45.2 | Very low | 47.3 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -69 | 95.1 | 173.8 | 178.9 | 171.8 | 79.7 | 0 | 0 | 111.2 | ||||
| 278 | R | 47.1 | Very low | 48.2 | Very low | 221 Ų | 221 | 141 Ų | 141 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | -146.5 | 108.2 | 159.4 | -71.9 | -160.5 | -178.3 | -86.1 | -5.7 | 112.7 | G276 | G276-R278 PolarHBondContact O-N 2.96Š| ||
| 279 | R | 44.4 | Very low | 49.5 | Very low | 236 Ų | 236 | 132.5 Ų | 132.5 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | 36.6 | 117.6 | 135.4 | -65.1 | 177 | 174.3 | -103 | -3 | 118.7 | G281 | R279-G281 PolarHBondContact O-N 3.46Š| ||
| 280 | G | 38.4 | Very low | 51.3 | Low | 92 Ų | 92 | 132.6 Ų | 132.6 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | 64.2 | 45.4 | 119.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 281 | G | 38.5 | Very low | 53.3 | Low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -112.1 | 119 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109 | R279 A283 | R279-G281 PolarHBondContact O-N 3.46Å; G281-A283 PolarHBondContact O-N 3.18Å | ||
| 282 | R | 43.6 | Very low | 55.6 | Low | 254 Ų | 254 | 126.1 Ų | 126.1 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | trans | -60.9 | 105.4 | 163 | -73.4 | -175.5 | 178.3 | -160.8 | -0.8 | 105.9 | A284 | R282-A284 PolarHBondContact O-N 3Š| ||
| 283 | A | 48.5 | Very low | 57.8 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -55.2 | 114.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | G281 A285 | G281-A283 PolarHBondContact O-N 3.18Å; A283-A285 PolarHBondContact O-N 2.92Å; A283-A285 VanDerWaalsContact O-N 3.07Å | ||
| 284 | A | 53.1 | Low | 60.4 | Low | 96 Ų | 96 | 130.9 Ų | 130.9 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123 | -179.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | R282 | R282-A284 PolarHBondContact O-N 3Š|
| 285 | A | 62.2 | Low | 62.6 | Low | 84 Ų | 84 | 129.5 Ų | 129.5 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 134.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | A283 A287 | A283-A285 PolarHBondContact O-N 2.92Å; A283-A285 VanDerWaalsContact O-N 3.07Å; A285-A287 PolarHBondContact O-N 2.97Å |
| 286 | P | 59.8 | Low | 65 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 124.6 | -176.6 | 21.4 | -32.8 | 0 | 0 | 0 | 108.1 | ||
| 287 | A | 62.6 | Low | 67.3 | Low | 90 Ų | 90 | 120 Ų | 120 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -48 | 127.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A285 A289 | A285-A287 PolarHBondContact O-N 2.97Å; A287-A289 PolarHBondContact O-N 3.12Å |
| 288 | P | 69.8 | Low | 69.6 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 122 | -168.9 | 21 | -32.6 | 0 | 0 | 0 | 108.9 | ||
| 289 | A | 72.8 | Confident | 71.7 | Confident | 76 Ų | 76 | 115.8 Ų | 115.8 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A287 M291 | A287-A289 PolarHBondContact O-N 3.12Å; A289-M291 PolarHBondContact O-N 2.98Å |
| 290 | P | 80.9 | Confident | 74.1 | Confident | 84 Ų | 84 | 106.4 Ų | 106.4 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | trans | -60.4 | 103.9 | -174.6 | 23.8 | -33.7 | 0 | 0 | 0 | 109.9 | P306 V309 | P290-P306 HydrophobicContact CB-CB 3.81Å; P290-P306 HydrophobicContact CB-CG 3.66Å; P290-V309 HydrophobicContact CB-CG2 4.22Å | ||
| 291 | M | 86.2 | Confident | 76.8 | Confident | 150 Ų | 150 | 105.5 Ų | 105.5 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | trans | -113.4 | 137 | -178.2 | -173.7 | 178.5 | -69.5 | 0 | 0 | 110.2 | A289 P306 | A289-M291 PolarHBondContact O-N 2.98Å; M291-P306 WeakPolarHBondContact O-CD 3.43Å; M291-P306 WeakPolarHBondContact O-CG 3.33Å | ||
| 292 | V | 90.9 | Very high | 79.4 | Confident | 58 Ų | 58 | 106.9 Ų | 106.9 | 35% | 0.352 | 66% | 0.661 | S | S | . | * | trans | -67.8 | 129.3 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | L303 S304 F305 V309 | V292-L303 HydrophobicContact CG1-CD1 3.77Å; V292-L303 HydrophobicContact CG1-CG 4.26Å; V292-S304 WeakPolarHBondContact CA-O 3.49Å; V292-S304 WeakPolarHBondContact CG1-O 3.16Å; V292-F305 HydrophobicContact CB-CD1 4.36Å; V292-F305 HydrophobicContact CB-CE1 4.39Å; V292-F305 HydrophobicContact CG1-CD1 3.81Å; V292-F305 HydrophobicContact CG1-CE1 3.57Å; V292-F305 HydrophobicContact CG1-CG 4.44Å; V292-F305 HydrophobicContact CG1-CZ 4.05Å; V292-F305 HydrophobicContact CG2-CD1 3.61Å; V292-F305 HydrophobicContact CG2-CE1 3.84Å; V292-V309 HydrophobicContact CG2-CG1 3.87Å | ||
| 293 | R | 91.7 | Very high | 81.8 | Confident | 141 Ų | 141 | 99.3 Ų | 99.3 | 53% | 0.532 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.5 | -178 | -170.3 | 176.6 | 177.8 | 103.1 | 4.1 | 110.3 | S304 | R293-S304 PolarHBondContact N-O 2.96Å; R293-S304 PolarHBondContact O-N 3.11Å; R293-S304 PolarHBondContact O-OG 2.91Å |
| 294 | Y | 94.7 | Very high | 83.8 | Confident | 143 Ų | 143 | 97.5 Ų | 97.5 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.5 | 167.6 | 176.4 | -109.9 | 0 | 0 | 0 | 108.8 | S301 L303 | Y294-S301 WeakPolarHBondContact OH-CB 3.46Å; Y294-S301 PolarHBondContact OH-OG 2.85Å; Y294-L303 HydrophobicContact CD2-CD1 4.26Å |
| 295 | C | 93.2 | Very high | 85.6 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 39% | 0.385 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.7 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 108.4 | S301 T302 | C295-S301 CarbonylContact O-C 3.56Å; C295-S301 WeakPolarHBondContact O-CA 3.31Å; C295-T302 PolarHBondContact N-O 3.33Å; C295-T302 PolarHBondContact O-N 3.11Å |
| 296 | S | 95.5 | Very high | 86.9 | Confident | 83 Ų | 83 | 93.4 Ų | 93.4 | 58% | 0.58 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.1 | 173 | -166.9 | 0 | 0 | 0 | 0 | 108.7 | S301 | S296-S301 PolarHBondContact OG-OG 3.12Å |
| 297 | G | 93.5 | Very high | 88.2 | Confident | 48 Ų | 48 | 93.5 Ų | 93.5 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -155.8 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q299 G300 | G297-Q299 PolarHBondContact O-N 3.03Å; G297-G300 PolarHBondContact N-O 3.43Å; G297-G300 PolarHBondContact O-N 3.42Å; G297-G300 VanDerWaalsContact O-O 3.12Å |
| 298 | A | 93.3 | Very high | 89.2 | Confident | 120 Ų | 120 | 93.1 Ų | 93.1 | 99% | 0.992 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -20.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 299 | Q | 92.5 | Very high | 89.9 | Confident | 210 Ų | 210 | 89.2 Ų | 89.2 | 98% | 0.981 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -1.8 | 176.3 | -60.7 | -179.8 | 16 | 0 | 0 | 113.4 | G297 | G297-Q299 PolarHBondContact O-N 3.03Š|
| 300 | G | 94.8 | Very high | 90.5 | Very high | 39 Ų | 39 | 91 Ų | 91 | 40% | 0.402 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 123.5 | -168.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G297 | G297-G300 PolarHBondContact N-O 3.43Å; G297-G300 PolarHBondContact O-N 3.42Å; G297-G300 VanDerWaalsContact O-O 3.12Å |
| 301 | S | 95.2 | Very high | 90.6 | Very high | 72 Ų | 72 | 91.6 Ų | 91.6 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.1 | -178 | -63.6 | 0 | 0 | 0 | 0 | 112 | Y294 C295 S296 | Y294-S301 WeakPolarHBondContact OH-CB 3.46Å; Y294-S301 PolarHBondContact OH-OG 2.85Å; C295-S301 CarbonylContact O-C 3.56Å; C295-S301 WeakPolarHBondContact O-CA 3.31Å; S296-S301 PolarHBondContact OG-OG 3.12Å |
| 302 | T | 93.6 | Very high | 90.3 | Very high | 94 Ų | 94 | 88.7 Ų | 88.7 | 58% | 0.577 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.8 | -178.8 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | C295 | C295-T302 PolarHBondContact N-O 3.33Å; C295-T302 PolarHBondContact O-N 3.11Å |
| 303 | L | 92.5 | Very high | 89.4 | Confident | 96 Ų | 96 | 92.6 Ų | 92.6 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 116.4 | 175.4 | -174.2 | 67.4 | 0 | 0 | 0 | 109.3 | V292 Y294 F305 | V292-L303 HydrophobicContact CG1-CD1 3.77Å; V292-L303 HydrophobicContact CG1-CG 4.26Å; Y294-L303 HydrophobicContact CD2-CD1 4.26Å; L303-F305 HydrophobicContact CD2-CE2 3.87Å; L303-F305 HydrophobicContact CD2-CZ 3.56Å; L303-F305 HydrophobicContact CG-CE2 3.81Å; L303-F305 HydrophobicContact CG-CZ 3.83Å |
| 304 | S | 91.5 | Very high | 88.4 | Confident | 57 Ų | 57 | 90 Ų | 90 | 40% | 0.399 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.6 | -177.3 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | V292 R293 | V292-S304 WeakPolarHBondContact CA-O 3.49Å; V292-S304 WeakPolarHBondContact CG1-O 3.16Å; R293-S304 PolarHBondContact N-O 2.96Å; R293-S304 PolarHBondContact O-N 3.11Å; R293-S304 PolarHBondContact O-OG 2.91Å |
| 305 | F | 90.5 | Very high | 87.6 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 29% | 0.294 | 60% | 0.595 | S | S | . | * | trans | -109.9 | 127.9 | -178.1 | -64.4 | -90.4 | 0 | 0 | 0 | 109.5 | V292 L303 V309 T311 P312 | V292-F305 HydrophobicContact CB-CD1 4.36Å; V292-F305 HydrophobicContact CB-CE1 4.39Å; V292-F305 HydrophobicContact CG1-CD1 3.81Å; V292-F305 HydrophobicContact CG1-CE1 3.57Å; V292-F305 HydrophobicContact CG1-CG 4.44Å; V292-F305 HydrophobicContact CG1-CZ 4.05Å; V292-F305 HydrophobicContact CG2-CD1 3.61Å; V292-F305 HydrophobicContact CG2-CE1 3.84Å; L303-F305 HydrophobicContact CD2-CE2 3.87Å; L303-F305 HydrophobicContact CD2-CZ 3.56Å; L303-F305 HydrophobicContact CG-CE2 3.81Å; L303-F305 HydrophobicContact CG-CZ 3.83Å; F305-V309 HydrophobicContact CD1-CG1 4.35Å; F305-T311 HydrophobicContact CB-CG2 3.96Å; F305-T311 HydrophobicContact CD2-CG2 3.99Å; F305-T311 HydrophobicContact CG-CG2 3.91Å; F305-P312 HydrophobicContact CE1-CG 4.01Å; F305-P312 HydrophobicContact CE2-CG 4.25Å; F305-P312 HydrophobicContact CZ-CG 3.56Å | ||
| 306 | P | 90.2 | Very high | 87 | Confident | 27 Ų | 27 | 91.4 Ų | 91.4 | 18% | 0.175 | 62% | 0.615 | C | S | . | * | trans | -75.4 | 157.1 | 179.7 | 33.9 | -38.9 | 0 | 0 | 0 | 111.1 | P290 M291 G308 V309 | P290-P306 HydrophobicContact CB-CB 3.81Å; P290-P306 HydrophobicContact CB-CG 3.66Å; M291-P306 WeakPolarHBondContact O-CD 3.43Å; M291-P306 WeakPolarHBondContact O-CG 3.33Å; P306-G308 PolarHBondContact O-N 3.43Å; P306-V309 HydrophobicContact CG-CB 3.96Å; P306-V309 HydrophobicContact CG-CG2 3.61Å; P306-V309 PolarHBondContact O-N 3.41Å; P306-V309 VanDerWaalsContact O-N 3.16Å | ||
| 307 | P | 85.6 | Confident | 86.5 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 81% | 0.812 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 131.1 | 174.8 | -25 | 34.5 | 0 | 0 | 0 | 112 | ||
| 308 | G | 85 | Confident | 86.1 | Confident | 82 Ų | 82 | 103.5 Ų | 103.5 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.5 | -7.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P306 | P306-G308 PolarHBondContact O-N 3.43Š|
| 309 | V | 85.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 102.9 Ų | 102.9 | 27% | 0.273 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -91.5 | 126.1 | 165.4 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | P290 V292 F305 P306 T311 | P290-V309 HydrophobicContact CB-CG2 4.22Å; V292-V309 HydrophobicContact CG2-CG1 3.87Å; F305-V309 HydrophobicContact CD1-CG1 4.35Å; P306-V309 HydrophobicContact CG-CB 3.96Å; P306-V309 HydrophobicContact CG-CG2 3.61Å; P306-V309 PolarHBondContact O-N 3.41Å; P306-V309 VanDerWaalsContact O-N 3.16Å; V309-T311 PolarHBondContact O-N 2.88Å |
| 310 | P | 84.5 | Confident | 85.4 | Confident | 114 Ų | 114 | 97.2 Ų | 97.2 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.7 | 176.9 | 27 | -33.9 | 0 | 0 | 0 | 109.8 | ||
| 311 | T | 82.6 | Confident | 84.9 | Confident | 95 Ų | 95 | 100.1 Ų | 100.1 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.9 | 169.7 | 43.6 | 0 | 0 | 0 | 0 | 109.5 | F305 V309 T313 | F305-T311 HydrophobicContact CB-CG2 3.96Å; F305-T311 HydrophobicContact CD2-CG2 3.99Å; F305-T311 HydrophobicContact CG-CG2 3.91Å; V309-T311 PolarHBondContact O-N 2.88Å; T311-T313 PolarHBondContact O-N 2.89Å |
| 312 | P | 79.3 | Confident | 84.3 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 58% | 0.578 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -58.2 | 139.5 | 171.7 | 25.4 | -33.3 | 0 | 0 | 0 | 108.9 | F305 | F305-P312 HydrophobicContact CE1-CG 4.01Å; F305-P312 HydrophobicContact CE2-CG 4.25Å; F305-P312 HydrophobicContact CZ-CG 3.56Å |
| 313 | T | 73.2 | Confident | 83.7 | Confident | 141 Ų | 141 | 100.6 Ų | 100.6 | 87% | 0.865 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 134.9 | -157.9 | -45.5 | 0 | 0 | 0 | 0 | 113.9 | T311 | T311-T313 PolarHBondContact O-N 2.89Š|
| 314 | A | 71.1 | Confident | 83.3 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 150.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A316 | A314-A316 PolarHBondContact O-N 2.89Š|
| 315 | V | 77 | Confident | 83 | Confident | 134 Ų | 134 | 103 Ų | 103 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | trans | -48.2 | 114.1 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | Q317 | V315-Q317 PolarHBondContact O-N 3.26Š| ||
| 316 | A | 81.1 | Confident | 83 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | trans | -67.1 | 97 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A314 R318 | A314-A316 PolarHBondContact O-N 2.89Å; A316-R318 PolarHBondContact O-N 2.98Å | ||
| 317 | Q | 83.8 | Confident | 83.2 | Confident | 177 Ų | 177 | 110.2 Ų | 110.2 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128 | 171.3 | -68.4 | -173 | -8.2 | 0 | 0 | 108.5 | V315 | V315-Q317 PolarHBondContact O-N 3.26Š|
| 318 | R | 85.8 | Confident | 83.7 | Confident | 207 Ų | 207 | 104.8 Ų | 104.8 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 124.3 | 174.6 | 178.9 | 171.6 | 177.5 | -99.8 | 2.5 | 107.9 | A316 A320 | A316-R318 PolarHBondContact O-N 2.98Å; R318-A320 PolarHBondContact O-N 2.9Å |
| 319 | P | 85.7 | Confident | 84.1 | Confident | 108 Ų | 108 | 103 Ų | 103 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.4 | 177.5 | 24.5 | -33.8 | 0 | 0 | 0 | 109.4 | ||
| 320 | A | 85.4 | Confident | 84.5 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 137.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R318 S322 | R318-A320 PolarHBondContact O-N 2.9Å; A320-S322 PolarHBondContact O-N 3.47Å |
| 321 | P | 84.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.5 | 178.9 | 24.8 | -33.2 | 0 | 0 | 0 | 109 | ||
| 322 | S | 81.3 | Confident | 85.4 | Confident | 117 Ų | 117 | 100.4 Ų | 100.4 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 151.6 | 166.2 | 50 | 0 | 0 | 0 | 0 | 109.4 | A320 | A320-S322 PolarHBondContact O-N 3.47Š|
| 323 | G | 81.3 | Confident | 86.1 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 62% | 0.619 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -59.9 | -168.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | A325 | G323-A325 PolarHBondContact O-N 2.96Š|
| 324 | P | 85 | Confident | 87 | Confident | 130 Ų | 130 | 94.5 Ų | 94.5 | 84% | 0.844 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -53.1 | 134.9 | -168.4 | 22.8 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 325 | A | 85.5 | Confident | 88.1 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 135.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | G323 R327 | G323-A325 PolarHBondContact O-N 2.96Å; A325-R327 PolarHBondContact O-N 3.11Å |
| 326 | P | 89.3 | Confident | 89 | Confident | 73 Ų | 73 | 93 Ų | 93 | 47% | 0.474 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 132.6 | -174.9 | 22.7 | -32.9 | 0 | 0 | 0 | 110.7 | R337 | P326-R337 HydrophobicContact CB-CB 4.22Å; P326-R337 HydrophobicContact CG-CB 4.04Å; P326-R337 WeakPolarHBondContact O-CB 3.25Å; P326-R337 PolarHBondContact O-N 3.17Å |
| 327 | R | 94.4 | Very high | 89.6 | Confident | 171 Ų | 171 | 94.4 Ų | 94.4 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | B | Isolated β-bridge | trans | -91.3 | 170.8 | 176.9 | -63.2 | -171.9 | 179.5 | -147.6 | 1.7 | 111.3 | A325 H335 A347 | A325-R327 PolarHBondContact O-N 3.11Å; R327-H335 WeakPolarHBondContact CA-O 3.38Å; R327-A347 WeakPolarHBondContact O-CB 3.45Å |
| 328 | C | 95.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 96 Ų | 96 | 7% | 0.074 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -63.1 | 132.7 | 172.3 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | V330 C333 H335 A347 C349 | C328-V330 PolarHBondContact O-N 2.83Å; C328-C333 HydrophobicContact CB-CB 3.99Å; C328-H335 PolarHBondContact N-O 3.49Å; C328-A347 CarbonylContact C-O 3.55Å; C328-A347 WeakPolarHBondContact CA-O 3.33Å; C328-C349 HydrophobicContact CB-CB 4.26Å |
| 329 | S | 93.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 90.2 Ų | 90.2 | 32% | 0.315 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -75.8 | 0.2 | 179 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | Q346 A347 | S329-Q346 PolarHBondContact OG-OE1 3.38Å; S329-A347 PolarHBondContact N-O 2.86Å; S329-A347 PolarHBondContact OG-N 3.43Å; S329-A347 PolarHBondContact OG-O 3.25Å |
| 330 | V | 94.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 87.3 Ų | 87.3 | 6% | 0.061 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -83.3 | 125.9 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | C328 G332 C333 L348 C353 I356 N357 | C328-V330 PolarHBondContact O-N 2.83Å; V330-G332 PolarHBondContact O-N 3Å; V330-C333 HydrophobicContact CB-CB 4.31Å; V330-C333 WeakPolarHBondContact O-CB 3.46Å; V330-C333 PolarHBondContact O-N 3.35Å; V330-C333 VanDerWaalsContact O-N 3.09Å; V330-L348 HydrophobicContact CG2-CD2 3.88Å; V330-C353 HydrophobicContact CB-CB 4.29Å; V330-C353 HydrophobicContact CG2-CB 3.69Å; V330-C353 VanDerWaalsContact CG2-O 3.31Å; V330-C353 WeakPolarHBondContact CG2-O 3.46Å; V330-I356 HydrophobicContact CG1-CB 4.26Å; V330-I356 HydrophobicContact CG1-CD1 4.35Å; V330-I356 HydrophobicContact CG1-CG2 3.73Å; V330-I356 HydrophobicContact CG2-CG2 4.5Å; V330-N357 HydrophobicContact CG2-CB 4.19Å |
| 331 | P | 92.8 | Very high | 91.5 | Very high | 105 Ų | 105 | 83.1 Ų | 83.1 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 133.7 | -179.4 | 23.9 | -33.9 | 0 | 0 | 0 | 110.7 | L360 | P331-L360 HydrophobicContact CG-CD1 4.15Š|
| 332 | G | 92.6 | Very high | 91.9 | Very high | 84 Ų | 84 | 84.3 Ų | 84.3 | 87% | 0.866 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -4.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | V330 P334 | V330-G332 PolarHBondContact O-N 3Å; G332-P334 VanDerWaalsContact O-CD 3.32Å; G332-P334 WeakPolarHBondContact O-CD 3.4Å |
| 333 | C | 93.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 85.3 Ų | 85.3 | 16% | 0.155 | 49% | 0.491 | C | S | . | . | trans | -96.5 | 108.9 | 178.8 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | C328 V330 H335 C349 | C328-C333 HydrophobicContact CB-CB 3.99Å; V330-C333 HydrophobicContact CB-CB 4.31Å; V330-C333 WeakPolarHBondContact O-CB 3.46Å; V330-C333 PolarHBondContact O-N 3.35Å; V330-C333 VanDerWaalsContact O-N 3.09Å; C333-H335 VanDerWaalsContact C-N 3.3Å; C333-H335 PolarHBondContact O-N 3.36Å; C333-H335 PolarHBondContact SG-ND1 2.85Å; C333-C349 PolarHBondContact SG-SG 2.91Å | ||
| 334 | P | 93 | Very high | 92.9 | Very high | 83 Ų | 83 | 83.8 Ų | 83.8 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | trans | -80.1 | -7.3 | -175.7 | 33.1 | -37.3 | 0 | 0 | 0 | 114.3 | G332 | G332-P334 VanDerWaalsContact O-CD 3.32Å; G332-P334 WeakPolarHBondContact O-CD 3.4Å | ||
| 335 | H | 94.1 | Very high | 93.3 | Very high | 108 Ų | 108 | 80.3 Ų | 80.3 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 148 | -170 | -64.2 | 99.7 | 0 | 0 | 0 | 113.4 | R327 C328 C333 C349 | R327-H335 WeakPolarHBondContact CA-O 3.38Å; C328-H335 PolarHBondContact N-O 3.49Å; C333-H335 VanDerWaalsContact C-N 3.3Å; C333-H335 PolarHBondContact O-N 3.36Å; C333-H335 PolarHBondContact SG-ND1 2.85Å; H335-C349 HydrophobicContact CB-CB 3.7Å |
| 336 | P | 94.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 79.4 Ų | 79.4 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -64.7 | 152.3 | 172.3 | 28.5 | -35.1 | 0 | 0 | 0 | 111.6 | R338 C349 | P336-R338 PolarHBondContact O-N 2.93Å; P336-C349 WeakPolarHBondContact O-CB 3.49Å |
| 337 | R | 93.9 | Very high | 94 | Very high | 127 Ų | 127 | 76.6 Ų | 76.6 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 125.8 | 172.4 | -180 | -173.9 | 173.8 | -157.2 | -7 | 110.1 | P326 Y339 A347 | P326-R337 HydrophobicContact CB-CB 4.22Å; P326-R337 HydrophobicContact CG-CB 4.04Å; P326-R337 WeakPolarHBondContact O-CB 3.25Å; P326-R337 PolarHBondContact O-N 3.17Å; R337-Y339 WeakPolarHBondContact CG-O 3.4Å; R337-Y339 PolarHBondContact NE-O 2.94Å; R337-A347 HydrophobicContact CB-CB 4.06Å; R337-A347 HydrophobicContact CG-CB 3.74Å |
| 338 | R | 95.7 | Very high | 94.1 | Very high | 211 Ų | 211 | 68.5 Ų | 68.5 | 80% | 0.796 | 39% | 0.393 | S | S | * | . | trans | -99.3 | -34 | 167 | -65 | -161 | -177.6 | -165 | -0.6 | 112.4 | P336 L348 C349 | P336-R338 PolarHBondContact O-N 2.93Å; R338-L348 PolarHBondContact N-O 2.81Å; R338-C349 WeakPolarHBondContact CD-O 3.5Å | ||
| 339 | Y | 95.2 | Very high | 94.1 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 33% | 0.333 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 177.3 | 178.2 | 55.1 | -90.1 | 0 | 0 | 0 | 111.1 | R337 L348 S350 L351 | R337-Y339 WeakPolarHBondContact CG-O 3.4Å; R337-Y339 PolarHBondContact NE-O 2.94Å; Y339-L348 HydrophobicContact CD2-CB 4.1Å; Y339-L348 HydrophobicContact CE2-CB 3.67Å; Y339-L348 HydrophobicContact CE2-CD1 3.89Å; Y339-L348 HydrophobicContact CE2-CG 4.44Å; Y339-L348 PolarHBondContact N-O 2.75Å; Y339-L348 PolarHBondContact O-N 2.83Å; Y339-S350 PolarHBondContact OH-O 3.13Å; Y339-L351 PolarHBondContact OH-N 3.02Å |
| 340 | A | 95.5 | Very high | 94.2 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q346 | A340-Q346 CarbonylContact C-O 3.59Å; A340-Q346 VanDerWaalsContact CA-O 3.28Å; A340-Q346 WeakPolarHBondContact CA-O 3.37Å |
| 341 | C | 94 | Very high | 94.3 | Very high | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | trans | -72.7 | 123.5 | 171 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | R343 T344 G345 Q346 L348 Y354 | C341-R343 VanDerWaalsContact C-N 3.3Å; C341-R343 PolarHBondContact O-N 3.4Å; C341-R343 PolarHBondContact SG-N 2.9Å; C341-R343 VanDerWaalsContact SG-N 3.43Å; C341-T344 WeakPolarHBondContact CB-OG1 3.39Å; C341-T344 PolarHBondContact SG-N 3.44Å; C341-T344 VanDerWaalsContact SG-N 3.39Å; C341-T344 PolarHBondContact SG-OG1 3.18Å; C341-G345 VanDerWaalsContact O-CA 3.25Å; C341-G345 WeakPolarHBondContact O-CA 3.42Å; C341-G345 PolarHBondContact O-N 3.03Å; C341-Q346 PolarHBondContact N-O 3.02Å; C341-L348 HydrophobicContact CB-CD1 3.79Å; C341-Y354 HydrophobicContact CB-CD2 4.41Å; C341-Y354 HydrophobicContact CB-CE2 4.44Å | ||
| 342 | S | 93.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 86% | 0.86 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.5 | 175.2 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 343 | R | 91.4 | Very high | 94.5 | Very high | 139 Ų | 139 | 70.3 Ų | 70.3 | 53% | 0.525 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -30.6 | -179 | -62.5 | -174.7 | 177.5 | -167 | -0.8 | 114.2 | C341 L362 | C341-R343 VanDerWaalsContact C-N 3.3Å; C341-R343 PolarHBondContact O-N 3.4Å; C341-R343 PolarHBondContact SG-N 2.9Å; C341-R343 VanDerWaalsContact SG-N 3.43Å; R343-L362 HydrophobicContact CB-CD1 4Å |
| 344 | T | 92.1 | Very high | 94.6 | Very high | 27 Ų | 27 | 72.5 Ų | 72.5 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -6.5 | -174 | 65.2 | 0 | 0 | 0 | 0 | 114 | C341 Q346 N357 R361 L362 | C341-T344 WeakPolarHBondContact CB-OG1 3.39Å; C341-T344 PolarHBondContact SG-N 3.44Å; C341-T344 VanDerWaalsContact SG-N 3.39Å; C341-T344 PolarHBondContact SG-OG1 3.18Å; T344-Q346 PolarHBondContact O-N 3.41Å; T344-Q346 VanDerWaalsContact O-N 3.14Å; T344-Q346 PolarHBondContact OG1-N 3.36Å; T344-N357 WeakPolarHBondContact CB-OD1 3.42Å; T344-N357 WeakPolarHBondContact CG2-OD1 3.41Å; T344-N357 PolarHBondContact OG1-OD1 2.79Å; T344-R361 HydrophobicContact CG2-CB 4.04Å; T344-L362 HydrophobicContact CG2-CD1 3.54Å; T344-L362 HydrophobicContact CG2-CG 3.98Å |
| 345 | G | 93.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 76 Ų | 76 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | trans | 69.2 | -0.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C341 | C341-G345 VanDerWaalsContact O-CA 3.25Å; C341-G345 WeakPolarHBondContact O-CA 3.42Å; C341-G345 PolarHBondContact O-N 3.03Å | ||
| 346 | Q | 94.5 | Very high | 94.7 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | trans | -83.4 | 147.5 | -168.7 | -66 | -54.3 | -46.3 | 0 | 0 | 114 | S329 A340 C341 T344 | S329-Q346 PolarHBondContact OG-OE1 3.38Å; A340-Q346 CarbonylContact C-O 3.59Å; A340-Q346 VanDerWaalsContact CA-O 3.28Å; A340-Q346 WeakPolarHBondContact CA-O 3.37Å; C341-Q346 PolarHBondContact N-O 3.02Å; T344-Q346 PolarHBondContact O-N 3.41Å; T344-Q346 VanDerWaalsContact O-N 3.14Å; T344-Q346 PolarHBondContact OG1-N 3.36Å | ||
| 347 | A | 95.5 | Very high | 94.6 | Very high | 15 Ų | 15 | 70 Ų | 70 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R327 C328 S329 R337 | R327-A347 WeakPolarHBondContact O-CB 3.45Å; C328-A347 CarbonylContact C-O 3.55Å; C328-A347 WeakPolarHBondContact CA-O 3.33Å; S329-A347 PolarHBondContact N-O 2.86Å; S329-A347 PolarHBondContact OG-N 3.43Å; S329-A347 PolarHBondContact OG-O 3.25Å; R337-A347 HydrophobicContact CB-CB 4.06Å; R337-A347 HydrophobicContact CG-CB 3.74Å |
| 348 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.7 | -173.9 | -62.9 | 173.3 | 0 | 0 | 0 | 112.2 | V330 R338 Y339 C341 C353 Y354 N357 | V330-L348 HydrophobicContact CG2-CD2 3.88Å; R338-L348 PolarHBondContact N-O 2.81Å; Y339-L348 HydrophobicContact CD2-CB 4.1Å; Y339-L348 HydrophobicContact CE2-CB 3.67Å; Y339-L348 HydrophobicContact CE2-CD1 3.89Å; Y339-L348 HydrophobicContact CE2-CG 4.44Å; Y339-L348 PolarHBondContact N-O 2.75Å; Y339-L348 PolarHBondContact O-N 2.83Å; C341-L348 HydrophobicContact CB-CD1 3.79Å; L348-C353 HydrophobicContact CD2-CB 4.1Å; L348-Y354 HydrophobicContact CD1-CD2 3.83Å; L348-Y354 HydrophobicContact CD1-CG 4.38Å; L348-N357 HydrophobicContact CD1-CB 4.36Å; L348-N357 HydrophobicContact CD2-CB 3.83Å |
| 349 | C | 96.7 | Very high | 94.3 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.081 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -107.3 | -29.2 | 179.5 | 65 | 0 | 0 | 0 | 0 | 114.4 | C328 C333 H335 P336 R338 | C328-C349 HydrophobicContact CB-CB 4.26Å; C333-C349 PolarHBondContact SG-SG 2.91Å; H335-C349 HydrophobicContact CB-CB 3.7Å; P336-C349 WeakPolarHBondContact O-CB 3.49Å; R338-C349 WeakPolarHBondContact CD-O 3.5Å |
| 350 | S | 95.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -152.7 | 158.8 | -172.5 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | Y339 Q352 C353 Y354 | Y339-S350 PolarHBondContact OH-O 3.13Å; S350-Q352 PolarHBondContact O-N 3.42Å; S350-C353 WeakPolarHBondContact O-CA 3.43Å; S350-C353 WeakPolarHBondContact O-CB 3.12Å; S350-C353 PolarHBondContact O-N 3.48Å; S350-Y354 PolarHBondContact O-N 2.78Å |
| 351 | L | 95.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 68.5 Ų | 68.5 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -29.8 | -179.2 | -172.3 | 148 | 0 | 0 | 0 | 112.8 | Y339 Y354 R355 | Y339-L351 PolarHBondContact OH-N 3.02Å; L351-Y354 WeakPolarHBondContact O-CB 3.18Å; L351-Y354 PolarHBondContact O-N 2.85Å; L351-R355 HydrophobicContact CD2-CG 4.25Å; L351-R355 PolarHBondContact O-N 2.92Å |
| 352 | Q | 95.3 | Very high | 93 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 58% | 0.575 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 171.5 | -164.1 | 74.5 | -20.3 | 0 | 0 | 111.2 | S350 Y354 R355 I356 | S350-Q352 PolarHBondContact O-N 3.42Å; Q352-Y354 VanDerWaalsContact C-N 3.33Å; Q352-Y354 PolarHBondContact O-N 3.49Å; Q352-R355 PolarHBondContact O-N 2.86Å; Q352-I356 HydrophobicContact CG-CD1 4.44Å; Q352-I356 WeakPolarHBondContact O-CG1 3.49Å; Q352-I356 PolarHBondContact O-N 3.28Å; Q352-I356 VanDerWaalsContact O-N 3.13Å |
| 353 | C | 95.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 173.9 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | V330 L348 S350 N357 | V330-C353 HydrophobicContact CB-CB 4.29Å; V330-C353 HydrophobicContact CG2-CB 3.69Å; V330-C353 VanDerWaalsContact CG2-O 3.31Å; V330-C353 WeakPolarHBondContact CG2-O 3.46Å; L348-C353 HydrophobicContact CD2-CB 4.1Å; S350-C353 WeakPolarHBondContact O-CA 3.43Å; S350-C353 WeakPolarHBondContact O-CB 3.12Å; S350-C353 PolarHBondContact O-N 3.48Å; C353-N357 WeakPolarHBondContact O-CB 3.49Å; C353-N357 PolarHBondContact O-N 3.4Å |
| 354 | Y | 94.6 | Very high | 90.2 | Very high | 68 Ų | 68 | 64.9 Ų | 64.9 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 173 | 175.7 | -106.4 | 0 | 0 | 0 | 112.1 | C341 L348 S350 L351 Q352 I356 N357 L358 | C341-Y354 HydrophobicContact CB-CD2 4.41Å; C341-Y354 HydrophobicContact CB-CE2 4.44Å; L348-Y354 HydrophobicContact CD1-CD2 3.83Å; L348-Y354 HydrophobicContact CD1-CG 4.38Å; S350-Y354 PolarHBondContact O-N 2.78Å; L351-Y354 WeakPolarHBondContact O-CB 3.18Å; L351-Y354 PolarHBondContact O-N 2.85Å; Q352-Y354 VanDerWaalsContact C-N 3.33Å; Q352-Y354 PolarHBondContact O-N 3.49Å; Y354-I356 PolarHBondContact O-N 3Å; Y354-N357 WeakPolarHBondContact O-CB 3.49Å; Y354-N357 PolarHBondContact O-N 3.25Å; Y354-N357 VanDerWaalsContact O-N 3.16Å; Y354-L358 HydrophobicContact CD1-CD1 3.62Å; Y354-L358 HydrophobicContact CD2-CD1 4.12Å; Y354-L358 HydrophobicContact CE1-CD1 3.28Å; Y354-L358 HydrophobicContact CE2-CD1 3.82Å; Y354-L358 HydrophobicContact CG-CD1 4.03Å; Y354-L358 WeakPolarHBondContact O-CD1 3.36Å; Y354-L358 PolarHBondContact O-N 3.47Å |
| 355 | R | 94.3 | Very high | 88.4 | Confident | 156 Ų | 156 | 69.8 Ų | 69.8 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.5 | -49.2 | 176 | -71.6 | 177.1 | 174 | 166.2 | -3.2 | 112.3 | L351 Q352 N357 L358 Q359 | L351-R355 HydrophobicContact CD2-CG 4.25Å; L351-R355 PolarHBondContact O-N 2.92Å; Q352-R355 PolarHBondContact O-N 2.86Å; R355-N357 VanDerWaalsContact C-N 3.28Å; R355-N357 PolarHBondContact O-N 3.02Å; R355-L358 PolarHBondContact O-N 3.38Å; R355-Q359 PolarHBondContact O-N 3.35Å |
| 356 | I | 94.1 | Very high | 86.3 | Confident | 61 Ų | 61 | 76 Ų | 76 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 176 | -63.6 | 162.3 | 0 | 0 | 0 | 110.5 | V330 Q352 Y354 Q359 L360 | V330-I356 HydrophobicContact CG1-CB 4.26Å; V330-I356 HydrophobicContact CG1-CD1 4.35Å; V330-I356 HydrophobicContact CG1-CG2 3.73Å; V330-I356 HydrophobicContact CG2-CG2 4.5Å; Q352-I356 HydrophobicContact CG-CD1 4.44Å; Q352-I356 WeakPolarHBondContact O-CG1 3.49Å; Q352-I356 PolarHBondContact O-N 3.28Å; Q352-I356 VanDerWaalsContact O-N 3.13Å; Y354-I356 PolarHBondContact O-N 3Å; I356-Q359 PolarHBondContact O-N 2.87Å; I356-L360 HydrophobicContact CG2-CD1 3.67Å; I356-L360 HydrophobicContact CG2-CG 4.11Å; I356-L360 WeakPolarHBondContact O-CB 3.43Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.38Å; I356-L360 PolarHBondContact O-N 2.91Å |
| 357 | N | 94.2 | Very high | 84.2 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 179.4 | -175.8 | -105.8 | 0 | 0 | 0 | 113.4 | V330 T344 L348 C353 Y354 R355 R361 | V330-N357 HydrophobicContact CG2-CB 4.19Å; T344-N357 WeakPolarHBondContact CB-OD1 3.42Å; T344-N357 WeakPolarHBondContact CG2-OD1 3.41Å; T344-N357 PolarHBondContact OG1-OD1 2.79Å; L348-N357 HydrophobicContact CD1-CB 4.36Å; L348-N357 HydrophobicContact CD2-CB 3.83Å; C353-N357 WeakPolarHBondContact O-CB 3.49Å; C353-N357 PolarHBondContact O-N 3.4Å; Y354-N357 WeakPolarHBondContact O-CB 3.49Å; Y354-N357 PolarHBondContact O-N 3.25Å; Y354-N357 VanDerWaalsContact O-N 3.16Å; R355-N357 VanDerWaalsContact C-N 3.28Å; R355-N357 PolarHBondContact O-N 3.02Å; N357-R361 VanDerWaalsContact O-CB 3.28Å; N357-R361 WeakPolarHBondContact O-CB 3.46Å; N357-R361 WeakPolarHBondContact O-CG 3.41Å; N357-R361 PolarHBondContact O-N 2.81Å; N357-R361 VanDerWaalsContact O-N 3.1Å |
| 358 | L | 92.7 | Very high | 82.1 | Confident | 32 Ų | 32 | 80.8 Ų | 80.8 | 17% | 0.168 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 170 | -84.4 | 137.6 | 0 | 0 | 0 | 111.2 | Y354 R355 L360 R361 L362 G363 | Y354-L358 HydrophobicContact CD1-CD1 3.62Å; Y354-L358 HydrophobicContact CD2-CD1 4.12Å; Y354-L358 HydrophobicContact CE1-CD1 3.28Å; Y354-L358 HydrophobicContact CE2-CD1 3.82Å; Y354-L358 HydrophobicContact CG-CD1 4.03Å; Y354-L358 WeakPolarHBondContact O-CD1 3.36Å; Y354-L358 PolarHBondContact O-N 3.47Å; R355-L358 PolarHBondContact O-N 3.38Å; L358-L360 PolarHBondContact O-N 3.12Å; L358-R361 PolarHBondContact O-N 3.06Å; L358-L362 HydrophobicContact CD2-CD1 3.75Å; L358-L362 HydrophobicContact CG-CD1 4.46Å; L358-L362 CarbonylContact O-C 3.58Å; L358-L362 WeakPolarHBondContact O-CA 3.45Å; L358-L362 WeakPolarHBondContact O-CB 3.24Å; L358-L362 PolarHBondContact O-N 3.4Å; L358-G363 PolarHBondContact O-N 2.85Å |
| 359 | Q | 91.1 | Very high | 80 | Confident | 142 Ų | 142 | 83.9 Ų | 83.9 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | -179.5 | -168.1 | 175.2 | 7.4 | 0 | 0 | 111.9 | R355 I356 R361 G363 | R355-Q359 PolarHBondContact O-N 3.35Å; I356-Q359 PolarHBondContact O-N 2.87Å; Q359-R361 PolarHBondContact O-N 3.08Å; Q359-G363 PolarHBondContact O-N 2.86Å |
| 360 | L | 89.3 | Confident | 77.7 | Confident | 103 Ų | 103 | 88.8 Ų | 88.8 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.9 | -19.8 | -179.9 | -69.6 | 177 | 0 | 0 | 0 | 115 | P331 I356 L358 | P331-L360 HydrophobicContact CG-CD1 4.15Å; I356-L360 HydrophobicContact CG2-CD1 3.67Å; I356-L360 HydrophobicContact CG2-CG 4.11Å; I356-L360 WeakPolarHBondContact O-CB 3.43Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.38Å; I356-L360 PolarHBondContact O-N 2.91Å; L358-L360 PolarHBondContact O-N 3.12Å |
| 361 | R | 86.3 | Confident | 75.7 | Confident | 160 Ų | 160 | 92.1 Ų | 92.1 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -123.2 | -20.3 | -171.9 | -62.3 | -64.9 | -171.8 | 148.6 | -0.2 | 115.2 | T344 N357 L358 Q359 | T344-R361 HydrophobicContact CG2-CB 4.04Å; N357-R361 VanDerWaalsContact O-CB 3.28Å; N357-R361 WeakPolarHBondContact O-CB 3.46Å; N357-R361 WeakPolarHBondContact O-CG 3.41Å; N357-R361 PolarHBondContact O-N 2.81Å; N357-R361 VanDerWaalsContact O-N 3.1Å; L358-R361 PolarHBondContact O-N 3.06Å; Q359-R361 PolarHBondContact O-N 3.08Å |
| 362 | L | 80.9 | Confident | 73.3 | Confident | 88 Ų | 88 | 96 Ų | 96 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -127 | 5.2 | -176.8 | -66.3 | 166.6 | 0 | 0 | 0 | 112.8 | R343 T344 L358 G364 | R343-L362 HydrophobicContact CB-CD1 4Å; T344-L362 HydrophobicContact CG2-CD1 3.54Å; T344-L362 HydrophobicContact CG2-CG 3.98Å; L358-L362 HydrophobicContact CD2-CD1 3.75Å; L358-L362 HydrophobicContact CG-CD1 4.46Å; L358-L362 CarbonylContact O-C 3.58Å; L358-L362 WeakPolarHBondContact O-CA 3.45Å; L358-L362 WeakPolarHBondContact O-CB 3.24Å; L358-L362 PolarHBondContact O-N 3.4Å; L362-G364 PolarHBondContact O-N 2.75Å |
| 363 | G | 68.1 | Low | 71.3 | Confident | 75 Ų | 75 | 98.1 Ų | 98.1 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | trans | 79.7 | 3.8 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | L358 Q359 | L358-G363 PolarHBondContact O-N 2.85Å; Q359-G363 PolarHBondContact O-N 2.86Å | ||
| 364 | G | 57.9 | Low | 68.9 | Low | 27 Ų | 27 | 102.2 Ų | 102.2 | 28% | 0.278 | 60% | 0.598 | S | S | . | * | S | Bend | trans | 124.2 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L362 E366 | L362-G364 PolarHBondContact O-N 2.75Å; G364-E366 VanDerWaalsContact C-N 3.31Å; G364-E366 PolarHBondContact O-N 3.05Å; G364-E366 VanDerWaalsContact O-N 3.08Å |
| 365 | P | 54.3 | Low | 67 | Low | 130 Ų | 130 | 109.4 Ų | 109.4 | 84% | 0.844 | 65% | 0.649 | S | S | * | * | trans | -87.9 | 47.6 | -165.4 | 37 | -37.7 | 0 | 0 | 0 | 114.6 | G367 | P365-G367 VanDerWaalsContact C-N 3.31Å; P365-G367 PolarHBondContact O-N 2.76Å | ||
| 366 | E | 50.3 | Low | 65.7 | Low | 188 Ų | 188 | 107.1 Ų | 107.1 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | trans | -75.1 | 89 | 164.5 | -69.5 | -58.6 | 105.1 | 0 | 0 | 108.9 | G364 | G364-E366 VanDerWaalsContact C-N 3.31Å; G364-E366 PolarHBondContact O-N 3.05Å; G364-E366 VanDerWaalsContact O-N 3.08Å | ||
| 367 | G | 50.5 | Low | 64.2 | Low | 51 Ų | 51 | 109.5 Ų | 109.5 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | trans | -78.2 | 130.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P365 G369 | P365-G367 VanDerWaalsContact C-N 3.31Å; P365-G367 PolarHBondContact O-N 2.76Å; G367-G369 PolarHBondContact O-N 3.43Å | ||
| 368 | P | 51.1 | Low | 62.5 | Low | 118 Ų | 118 | 115.4 Ų | 115.4 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -73.6 | 97.5 | 169.2 | 30.3 | -31.9 | 0 | 0 | 0 | 108.5 | ||
| 369 | G | 51.8 | Low | 60.7 | Low | 66 Ų | 66 | 120.4 Ų | 120.4 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | 166 | 55.2 | -178 | 0 | 0 | 0 | 0 | 0 | 118.1 | G367 | G367-G369 PolarHBondContact O-N 3.43Š| ||
| 370 | S | 47.6 | Very low | 58.8 | Low | 114 Ų | 114 | 119 Ų | 119 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -147 | 105.2 | 151.1 | -81.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 371 | P | 54.7 | Low | 56.8 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -68.3 | 141.1 | 169.9 | 30 | -32.7 | 0 | 0 | 0 | 109.3 | L373 | P371-L373 PolarHBondContact O-N 3.49Å; P371-L373 VanDerWaalsContact O-N 3.14Å | ||
| 372 | L | 44.3 | Very low | 54.7 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 95% | 0.948 | 77% | 0.767 | S | S | * | * | trans | -58.2 | 115.8 | 173.9 | -65.5 | 166.7 | 0 | 0 | 0 | 109.6 | ||||
| 373 | L | 53 | Low | 52.7 | Low | 169 Ų | 169 | 119.5 Ų | 119.5 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -105 | 116.2 | 160.6 | -95.8 | 166.7 | 0 | 0 | 0 | 107.7 | P371 | P371-L373 PolarHBondContact O-N 3.49Å; P371-L373 VanDerWaalsContact O-N 3.14Å | ||
| 374 | A | 46.5 | Very low | 51.4 | Low | 95 Ų | 95 | 123.2 Ų | 123.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -81 | 139.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 375 | T | 54.9 | Low | 50.8 | Low | 220 Ų | 220 | 131.9 Ų | 131.9 | 100% | 1.35 | 84% | 0.839 | S | S | * | * | trans | -146.8 | 0 | 152 | 49.4 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 375 of 375 residues in 532.3 ms
(Link to these results)