| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.8 | Very low | 45.2 | Very low | 246 Ų | 246 | 155.4 Ų | 155.4 | 100% | 1.212 | 85% | 0.853 | S | S | * | * | 0 | 141.6 | 0 | -75.2 | 175 | 161.6 | 0 | 0 | 108 | |||||
| 2 | S | 40.7 | Very low | 45.4 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 84% | 0.839 | 85% | 0.854 | S | S | * | * | trans | -65.3 | 168.8 | -179.4 | -42.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | I | 40.2 | Very low | 44.7 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | cis | -158.3 | 143.5 | 35.4 | 168.2 | 166.1 | 0 | 0 | 0 | 111.7 | ||||
| 4 | S | 50.1 | Low | 44.8 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -84.7 | 153.2 | 171.2 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 5 | G | 39.9 | Very low | 44.9 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -138.1 | 88 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | T | 47.3 | Very low | 44.8 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 82% | 0.816 | 83% | 0.83 | S | S | * | * | trans | -112.6 | 108.2 | 169.9 | 51.2 | 0 | 0 | 0 | 0 | 109.4 | S8 | T6-S8 PolarHBondContact O-N 3.45Š| ||
| 7 | L | 48.1 | Very low | 44.3 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 99% | 0.99 | 83% | 0.831 | S | S | * | * | trans | -88.8 | 104.7 | 173.7 | -83.1 | 164.6 | 0 | 0 | 0 | 110.1 | ||||
| 8 | S | 45.5 | Very low | 44.2 | Very low | 85 Ų | 85 | 149.8 Ų | 149.8 | 59% | 0.594 | 83% | 0.829 | S | S | * | * | trans | -136.8 | 136 | 170.6 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | T6 | T6-S8 PolarHBondContact O-N 3.45Š| ||
| 9 | N | 46.5 | Very low | 43.9 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | trans | 74.7 | 167.4 | 170 | -57.1 | -34.3 | 0 | 0 | 0 | 118.9 | ||||
| 10 | Y | 46.9 | Very low | 43.4 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | 81.7 | 83.1 | 178.1 | -55.5 | -78.2 | 0 | 0 | 0 | 117.7 | ||||
| 11 | Y | 49.4 | Very low | 43.2 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | -157.5 | 84.2 | 114.3 | -121.3 | -81.5 | 0 | 0 | 0 | 111.2 | |||||
| 12 | V | 47.3 | Very low | 42.9 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -133.2 | 95.8 | 155.9 | 175.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 13 | D | 36.2 | Very low | 43.2 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -160.7 | 170.9 | 145.1 | -135.6 | -36.3 | 0 | 0 | 0 | 112 | ||||
| 14 | S | 46.6 | Very low | 43.8 | Very low | 95 Ų | 95 | 143 Ų | 143 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | -108 | 136.4 | -156.7 | -42.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 15 | I | 46.4 | Very low | 43 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -135.3 | 114.8 | 149.4 | 54.7 | 176.1 | 0 | 0 | 0 | 104.6 | ||||
| 16 | I | 42.2 | Very low | 43.1 | Very low | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | 44.7 | 88.3 | 59.8 | -77.8 | 175.3 | 0 | 0 | 0 | 110.9 | |||||
| 17 | S | 36.4 | Very low | 42.7 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -115.9 | 122.5 | 148.7 | -68.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 18 | H | 43 | Very low | 42 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -111.3 | 167.5 | 172.7 | -166.5 | -86.9 | 0 | 0 | 0 | 108.2 | ||||
| 19 | E | 38.2 | Very low | 41.4 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 73.6 | 147.2 | -172.8 | -53.4 | -152.1 | 79.3 | 0 | 0 | 115.3 | ||||
| 20 | S | 34.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | cis | -135.6 | 161.1 | 11.4 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 21 | E | 39.3 | Very low | 40.8 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 158.4 | -177.5 | -55.1 | -159.7 | 94 | 0 | 0 | 114.8 | ||||
| 22 | D | 36.9 | Very low | 40.3 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | -149.9 | 138.6 | 123.5 | -156.1 | -89.6 | 0 | 0 | 0 | 110.2 | |||||
| 23 | S | 46.4 | Very low | 39.7 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -143.7 | 148.9 | 178.7 | -154.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 24 | P | 52.3 | Low | 39.6 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -159.3 | 175.1 | 97.2 | 40.4 | -21.7 | 0 | 0 | 0 | 118.2 | |||||
| 25 | S | 34.4 | Very low | 39.3 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 88.7 | 79.3 | 145.8 | -62.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 26 | A | 40.3 | Very low | 38.6 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | 34.1 | 137.5 | 113.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 27 | K | 38.9 | Very low | 38.6 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | -178.3 | 137 | 111.5 | -91.5 | 148 | -169.8 | 174.9 | 0 | 113.6 | |||||
| 28 | F | 34.9 | Very low | 38.4 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 4.4 | 156.7 | 154.1 | -58 | -84.9 | 0 | 0 | 0 | 121 | ||||
| 29 | S | 32.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | -159.4 | 162.8 | 37.5 | -166.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 30 | S | 46 | Very low | 38.5 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 162.6 | 168 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | G | 34.4 | Very low | 38.7 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -165.7 | 122.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 32 | Q | 39.1 | Very low | 39.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -95.1 | -174.1 | 163.2 | -53 | 177.4 | 5 | 0 | 0 | 107.9 | ||||
| 33 | Y | 33.8 | Very low | 39.5 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | -157.7 | 150.6 | 13.2 | 36.9 | -80.7 | 0 | 0 | 0 | 107.8 | ||||
| 34 | T | 34.6 | Very low | 39.6 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 173.2 | 153.9 | 112.8 | 32 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 35 | S | 40.9 | Very low | 39.6 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 147.8 | 166.6 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 36 | S | 32.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | -167.3 | 149.6 | 122.5 | -87.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 37 | R | 40.5 | Very low | 40.6 | Very low | 243 Ų | 243 | 151.4 Ų | 151.4 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -101.1 | 121.7 | -175.8 | -175.3 | -170.6 | -160 | -138 | 8.9 | 109 | ||||
| 38 | Q | 32.3 | Very low | 41.1 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -153.5 | 150.2 | 158.7 | -115 | 171 | 42.1 | 0 | 0 | 111.4 | ||||
| 39 | A | 43.7 | Very low | 42 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -106.4 | 143 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 40 | G | 40.9 | Very low | 43.1 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 154.1 | 128.3 | 169 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 41 | H | 38.9 | Very low | 43.5 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | 74.7 | 125.9 | 154.9 | -133.9 | -89 | 0 | 0 | 0 | 120.2 | ||||
| 42 | N | 49.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | trans | -51.1 | 142.6 | 161.8 | -171.2 | 28.2 | 0 | 0 | 0 | 111.9 | ||||
| 43 | E | 42.8 | Very low | 45.8 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | 163.9 | 135 | 138.8 | -84.2 | -79.4 | 85.9 | 0 | 0 | 110.7 | ||||
| 44 | H | 49.8 | Very low | 47.1 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | trans | 64.9 | 107.8 | 152.3 | -153.3 | -94.7 | 0 | 0 | 0 | 122.7 | E46 | H44-E46 IonicContact CE1-OE2 2.74Å; H44-E46 PolarHBondContact CE1-OE2 3.29Å | ||
| 45 | L | 52.1 | Low | 48.9 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -139.4 | 123.4 | 138.8 | -81.8 | -176.6 | 0 | 0 | 0 | 110.6 | F47 | L45-F47 PolarHBondContact O-N 2.91Š| ||
| 46 | E | 47.3 | Very low | 50 | Low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -64.4 | 125.5 | 176.9 | -77.2 | 161.4 | 99.1 | 0 | 0 | 112.4 | H44 | H44-E46 IonicContact CE1-OE2 2.74Å; H44-E46 PolarHBondContact CE1-OE2 3.29Å | ||
| 47 | F | 47.5 | Very low | 51.9 | Low | 187 Ų | 187 | 146.9 Ų | 146.9 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | trans | -90.8 | 137.6 | 148.3 | -70.8 | -89.5 | 0 | 0 | 0 | 108 | L45 S49 | L45-F47 PolarHBondContact O-N 2.91Å; F47-S49 PolarHBondContact O-N 2.93Å | ||
| 48 | P | 48.7 | Very low | 53.3 | Low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 102.5 | 176.5 | 26.9 | -33.4 | 0 | 0 | 0 | 109.3 | C50 | P48-C50 PolarHBondContact O-N 3.01Å; P48-C50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | S | 55.1 | Low | 54.9 | Low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 115.3 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | F47 S51 | F47-S49 PolarHBondContact O-N 2.93Å; S49-S51 VanDerWaalsContact C-N 3.3Å; S49-S51 PolarHBondContact O-N 3.25Å | ||
| 50 | C | 54.2 | Low | 55.7 | Low | 128 Ų | 128 | 141.1 Ų | 141.1 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -65.8 | 88.6 | 178.8 | -87.2 | 0 | 0 | 0 | 0 | 110.4 | P48 F52 | P48-C50 PolarHBondContact O-N 3.01Å; P48-C50 VanDerWaalsContact O-N 3.12Å; C50-F52 PolarHBondContact O-N 3.12Å | ||
| 51 | S | 55.3 | Low | 56.3 | Low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -73.7 | 73.9 | 171.5 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | S49 Q53 | S49-S51 VanDerWaalsContact C-N 3.3Å; S49-S51 PolarHBondContact O-N 3.25Å; S51-Q53 PolarHBondContact O-N 3.09Å | ||
| 52 | F | 57.6 | Low | 57.2 | Low | 189 Ų | 189 | 137.5 Ų | 137.5 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 85.4 | 167.4 | -160.4 | -87.8 | 0 | 0 | 0 | 108.5 | C50 P54 | C50-F52 PolarHBondContact O-N 3.12Å; F52-P54 WeakPolarHBondContact O-CD 3.25Å; F52-P54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | Q | 63.7 | Low | 57.8 | Low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -56.7 | 120.3 | 174.4 | -77 | -167.4 | -33.1 | 0 | 0 | 108.8 | S51 K55 | S51-Q53 PolarHBondContact O-N 3.09Å; Q53-K55 PolarHBondContact O-N 2.94Å | ||
| 54 | P | 62.5 | Low | 58.5 | Low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -68 | 106.6 | 176.1 | 27.1 | -32.2 | 0 | 0 | 0 | 108.3 | F52 | F52-P54 WeakPolarHBondContact O-CD 3.25Å; F52-P54 VanDerWaalsContact O-N 3.16Å | ||
| 55 | K | 71.4 | Confident | 58.8 | Low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 133.5 | 171 | -65.7 | -176.6 | 179.1 | 179.3 | 0 | 108.3 | Q53 | Q53-K55 PolarHBondContact O-N 2.94Š|
| 56 | P | 64.6 | Low | 58.6 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60 | 140 | 177.8 | 25.4 | -33.8 | 0 | 0 | 0 | 109.7 | V58 | P56-V58 PolarHBondContact O-N 2.74Š|
| 57 | P | 71.6 | Confident | 58.8 | Low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 123 | -179 | 27.9 | -34.1 | 0 | 0 | 0 | 109.9 | F59 | P57-F59 PolarHBondContact O-N 2.9Å; P57-F59 VanDerWaalsContact O-N 3.16Å |
| 58 | V | 70.1 | Confident | 58.9 | Low | 136 Ų | 136 | 135 Ų | 135 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -64.7 | -17.8 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | P56 | P56-V58 PolarHBondContact O-N 2.74Š|
| 59 | F | 67 | Low | 58.6 | Low | 176 Ų | 176 | 137.1 Ų | 137.1 | 77% | 0.772 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -117.8 | 123.6 | 172.1 | -69.3 | -83.5 | 0 | 0 | 0 | 110.3 | P57 A61 | P57-F59 PolarHBondContact O-N 2.9Å; P57-F59 VanDerWaalsContact O-N 3.16Å; F59-A61 PolarHBondContact O-N 3.03Å |
| 60 | S | 59.9 | Low | 58.2 | Low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -60 | 105.8 | 170.5 | -56.6 | 0 | 0 | 0 | 0 | 110 | S62 | S60-S62 PolarHBondContact O-N 3.43Š| ||
| 61 | A | 53.5 | Low | 58 | Low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -75.6 | 75.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | F59 W63 | F59-A61 PolarHBondContact O-N 3.03Å; A61-W63 PolarHBondContact O-N 3.18Å | ||
| 62 | S | 57.1 | Low | 57.7 | Low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -74.6 | 60.7 | 177.6 | 40.6 | 0 | 0 | 0 | 0 | 112.5 | S60 T64 | S60-S62 PolarHBondContact O-N 3.43Å; S62-T64 VanDerWaalsContact C-N 3.3Å | ||
| 63 | W | 61.8 | Low | 57.2 | Low | 239 Ų | 239 | 132 Ų | 132 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | trans | -96.8 | 55.2 | 163 | -67 | 100.1 | 0 | 0 | 0 | 110.1 | A61 P65 | A61-W63 PolarHBondContact O-N 3.18Å; W63-P65 WeakPolarHBondContact O-CD 3.35Å | ||
| 64 | T | 58.5 | Low | 56.5 | Low | 119 Ų | 119 | 131.9 Ų | 131.9 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -74.7 | 121.3 | 171.5 | -32 | 0 | 0 | 0 | 0 | 108.5 | S62 L66 | S62-T64 VanDerWaalsContact C-N 3.3Å; T64-L66 PolarHBondContact O-N 3.41Å | ||
| 65 | P | 55 | Low | 55.8 | Low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -63.9 | 126 | 169.2 | -17 | 31.4 | 0 | 0 | 0 | 108.7 | W63 N67 | W63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-N67 PolarHBondContact O-N 3.35Å | ||
| 66 | L | 49.4 | Very low | 55 | Low | 175 Ų | 175 | 127.3 Ų | 127.3 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -66.6 | 107.2 | 174 | -76.3 | 166.6 | 0 | 0 | 0 | 109.1 | T64 | T64-L66 PolarHBondContact O-N 3.41Š| ||
| 67 | N | 49.6 | Very low | 54.1 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | -69 | 131.3 | 168.4 | -164.3 | 40.6 | 0 | 0 | 0 | 108.4 | P65 H69 | P65-N67 PolarHBondContact O-N 3.35Å; N67-H69 PolarHBondContact O-CD2 3.09Å; N67-H69 VanDerWaalsContact O-CD2 3.32Å; N67-H69 PolarHBondContact O-N 2.93Å | ||
| 68 | P | 50.6 | Low | 52.8 | Low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 101.5 | 178.9 | 27.9 | -33.4 | 0 | 0 | 0 | 109.6 | S70 | P68-S70 PolarHBondContact O-N 2.97Š| ||
| 69 | H | 41.8 | Very low | 52.1 | Low | 165 Ų | 165 | 134.5 Ų | 134.5 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.7 | -179.2 | -84.4 | -93.4 | 0 | 0 | 0 | 111.8 | N67 | N67-H69 PolarHBondContact O-CD2 3.09Å; N67-H69 VanDerWaalsContact O-CD2 3.32Å; N67-H69 PolarHBondContact O-N 2.93Å |
| 70 | S | 46.3 | Very low | 51.2 | Low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143.3 | 158 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | P68 G72 | P68-S70 PolarHBondContact O-N 2.97Å; S70-G72 PolarHBondContact O-N 3.35Å |
| 71 | S | 49.9 | Very low | 50.4 | Low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 128.9 | 176 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 72 | G | 50.3 | Low | 50.3 | Low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 173.2 | 97.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S70 | S70-G72 PolarHBondContact O-N 3.35Š| ||
| 73 | T | 47.3 | Very low | 49.6 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 72.9 | 86.4 | 139.2 | -40.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 74 | L | 48.9 | Very low | 48.8 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 64.7 | 165.6 | 136.3 | -57.7 | -176.1 | 0 | 0 | 0 | 120.5 | ||||
| 75 | P | 47 | Very low | 47.8 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | cis | -117 | 172 | -6.1 | 39.8 | -27 | 0 | 0 | 0 | 114.8 | ||||
| 76 | A | 54.4 | Low | 47.4 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -73.4 | 134.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | V | 46.9 | Very low | 47.1 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -120.4 | 109.1 | 162.2 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 78 | Y | 43.6 | Very low | 47.1 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -13.1 | 120.8 | 166.2 | -163.5 | -93.4 | 0 | 0 | 0 | 118.2 | P80 | Y78-P80 HydrophobicContact CE1-CB 4.35Å; Y78-P80 HydrophobicContact CE1-CG 4.48Å | ||
| 79 | H | 55.3 | Low | 46.8 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -133.9 | 134.3 | 150.1 | -81.7 | -66.4 | 0 | 0 | 0 | 110.3 | ||||
| 80 | P | 47.8 | Very low | 46.8 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | trans | -80.5 | 143 | -172.5 | 31.9 | -35.1 | 0 | 0 | 0 | 113.2 | Y78 | Y78-P80 HydrophobicContact CE1-CB 4.35Å; Y78-P80 HydrophobicContact CE1-CG 4.48Å | ||
| 81 | Y | 43.6 | Very low | 47 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -30.2 | 119.8 | 166.9 | -174.1 | -102.4 | 0 | 0 | 0 | 116.5 | Q83 | Y81-Q83 HydrophobicContact CD1-CG 4.34Å; Y81-Q83 HydrophobicContact CD2-CG 4.22Å; Y81-Q83 HydrophobicContact CE1-CG 3.65Å; Y81-Q83 HydrophobicContact CE2-CG 3.49Å; Y81-Q83 VanDerWaalsContact CE2-CG 3.49Å; Y81-Q83 VanDerWaalsContact CZ-CD 3.43Å; Y81-Q83 VanDerWaalsContact OH-CG 3.32Å; Y81-Q83 WeakPolarHBondContact OH-CG 3.12Å; Y81-Q83 PolarHBondContact OH-NE2 3.18Å; Y81-Q83 PolarHBondContact OH-OE1 3.2Å | ||
| 82 | I | 50.7 | Low | 47.4 | Very low | 150 Ų | 150 | 136 Ų | 136 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -126.1 | 112.5 | 146.8 | -67.9 | -173.4 | 0 | 0 | 0 | 107 | ||||
| 83 | Q | 43.9 | Very low | 47.7 | Very low | 116 Ų | 116 | 143 Ų | 143 | 54% | 0.542 | 76% | 0.758 | S | S | . | * | trans | -76.1 | 134.9 | 159.6 | -43.2 | -159.7 | 130.8 | 0 | 0 | 108.1 | Y81 | Y81-Q83 HydrophobicContact CD1-CG 4.34Å; Y81-Q83 HydrophobicContact CD2-CG 4.22Å; Y81-Q83 HydrophobicContact CE1-CG 3.65Å; Y81-Q83 HydrophobicContact CE2-CG 3.49Å; Y81-Q83 VanDerWaalsContact CE2-CG 3.49Å; Y81-Q83 VanDerWaalsContact CZ-CD 3.43Å; Y81-Q83 VanDerWaalsContact OH-CG 3.32Å; Y81-Q83 WeakPolarHBondContact OH-CG 3.12Å; Y81-Q83 PolarHBondContact OH-NE2 3.18Å; Y81-Q83 PolarHBondContact OH-OE1 3.2Å | ||
| 84 | H | 44.7 | Very low | 48.1 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -126.1 | 141 | 139.1 | -94.5 | -85.5 | 0 | 0 | 0 | 109.2 | ||||
| 85 | Q | 37.4 | Very low | 48.5 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 161.7 | -165.3 | -69.2 | 168.8 | -11.8 | 0 | 0 | 112.8 | ||||
| 86 | S | 45.9 | Very low | 48.9 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -47.2 | 130.5 | 175.5 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 87 | V | 42.5 | Very low | 49.2 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -132.1 | 125.5 | 150.5 | -73.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 88 | P | 49.6 | Very low | 49.8 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -101.9 | 111.1 | 177.7 | 34.3 | -27.3 | 0 | 0 | 0 | 111.5 | ||||
| 89 | S | 45.1 | Very low | 50.4 | Low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -166.2 | 122 | 155.3 | -87 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 90 | D | 42 | Very low | 50.2 | Low | 102 Ų | 102 | 144 Ų | 144 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | trans | 48.8 | 63.4 | 151.2 | -79.7 | -37.9 | 0 | 0 | 0 | 120.2 | R92 | D90-R92 PolarHBondContact O-N 2.84Å; D90-R92 IonicContact OD1-CZ 3.77Å; D90-R92 IonicContact OD1-NE 3.17Å; D90-R92 PolarHBondContact OD1-NE 3.19Å; D90-R92 IonicContact OD1-NH2 3.52Å; D90-R92 PolarHBondContact OD1-NH2 3.02Å; D90-R92 IonicContact OD2-NH2 3.39Å; D90-R92 PolarHBondContact OD2-NH2 3.49Å | ||
| 91 | S | 49.6 | Very low | 50.3 | Low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -66.3 | 21.8 | 158.4 | -53.1 | 0 | 0 | 0 | 0 | 114.6 | Y93 | S91-Y93 VanDerWaalsContact C-N 3.33Å; S91-Y93 PolarHBondContact O-N 3.19Å |
| 92 | R | 59 | Low | 50.6 | Low | 197 Ų | 197 | 143.1 Ų | 143.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -78.6 | -6.4 | -173.5 | -78.5 | -168.5 | -74.7 | 168.6 | -1.9 | 115.2 | D90 | D90-R92 PolarHBondContact O-N 2.84Å; D90-R92 IonicContact OD1-CZ 3.77Å; D90-R92 IonicContact OD1-NE 3.17Å; D90-R92 PolarHBondContact OD1-NE 3.19Å; D90-R92 IonicContact OD1-NH2 3.52Å; D90-R92 PolarHBondContact OD1-NH2 3.02Å; D90-R92 IonicContact OD2-NH2 3.39Å; D90-R92 PolarHBondContact OD2-NH2 3.49Å |
| 93 | Y | 55.9 | Low | 50.3 | Low | 214 Ų | 214 | 147.6 Ų | 147.6 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -103.1 | -6.1 | -178.6 | -81.7 | -80.1 | 0 | 0 | 0 | 115.8 | S91 R95 | S91-Y93 VanDerWaalsContact C-N 3.33Å; S91-Y93 PolarHBondContact O-N 3.19Å; Y93-R95 PolarHBondContact O-N 2.67Å |
| 94 | L | 56.8 | Low | 50.4 | Low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 4 | -171.4 | -95.2 | 167.9 | 0 | 0 | 0 | 115.9 | ||
| 95 | R | 57 | Low | 49.8 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.8 | 29.6 | -172.1 | -123.7 | 163.8 | 172.2 | -171.9 | -5.7 | 117.5 | Y93 W97 | Y93-R95 PolarHBondContact O-N 2.67Å; R95-W97 VanDerWaalsContact C-N 3.31Å; R95-W97 PolarHBondContact O-N 3.46Å |
| 96 | S | 54.4 | Low | 50.2 | Low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 10.1 | -175.1 | -168.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 97 | W | 62.3 | Low | 49.9 | Very low | 208 Ų | 208 | 147 Ų | 147 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 3.6 | -174.3 | 69 | -88.2 | 0 | 0 | 0 | 114.9 | R95 | R95-W97 VanDerWaalsContact C-N 3.31Å; R95-W97 PolarHBondContact O-N 3.46Å |
| 98 | L | 59.3 | Low | 50 | Low | 99 Ų | 99 | 146.1 Ų | 146.1 | 52% | 0.518 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -114 | -6.9 | -171.1 | -82.9 | 158.4 | 0 | 0 | 0 | 115.2 | ||
| 99 | D | 56.8 | Low | 49.3 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 125.2 | -179.3 | -73.9 | -50.3 | 0 | 0 | 0 | 112.8 | V101 | D99-V101 PolarHBondContact O-N 2.68Š|
| 100 | P | 49.3 | Very low | 48.9 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 117 | 167 | 30.5 | -30.6 | 0 | 0 | 0 | 109.5 | P102 | P100-P102 WeakPolarHBondContact O-CD 3.3Š|
| 101 | V | 51.5 | Low | 48.5 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 119.7 | 179.1 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | D99 R103 | D99-V101 PolarHBondContact O-N 2.68Å; V101-R103 PolarHBondContact O-N 2.89Å |
| 102 | P | 50 | Low | 48 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.3 | 171.1 | 28.4 | -32.2 | 0 | 0 | 0 | 109.8 | P100 | P100-P102 WeakPolarHBondContact O-CD 3.3Š|
| 103 | R | 44.3 | Very low | 47.2 | Very low | 244 Ų | 244 | 145.1 Ų | 145.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 150.2 | 171.4 | 162.3 | -179.6 | -83.7 | -133.2 | -3.3 | 109.4 | V101 | V101-R103 PolarHBondContact O-N 2.89Š|
| 104 | A | 44.6 | Very low | 46.4 | Very low | 87 Ų | 87 | 144.5 Ų | 144.5 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | 86 | 145.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 105 | E | 33.4 | Very low | 45.6 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | cis | -129.3 | 168.4 | 16 | -73.7 | -175.2 | 129.1 | 0 | 0 | 114.6 | ||||
| 106 | S | 45.8 | Very low | 44.9 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 150.3 | 169.8 | -49.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 107 | L | 38 | Very low | 44.4 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -162.1 | 161.4 | 144.7 | -97.3 | 172.1 | 0 | 0 | 0 | 108.8 | ||||
| 108 | P | 46 | Very low | 43.6 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -113.9 | 171.9 | -153.4 | 42.3 | -36.8 | 0 | 0 | 0 | 115.1 | ||||
| 109 | G | 33.7 | Very low | 42.7 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | 139.3 | 131.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 110 | Q | 38.1 | Very low | 41.5 | Very low | 212 Ų | 212 | 136.6 Ų | 136.6 | 99% | 0.991 | 82% | 0.818 | S | S | * | * | trans | 65.5 | 139.7 | 158.9 | -58.2 | -177 | -87.6 | 0 | 0 | 119.5 | ||||
| 111 | G | 32.1 | Very low | 41.1 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 143 | 61.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 112 | S | 41 | Very low | 41 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -71.9 | 128.3 | 166.9 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 113 | V | 40.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -160 | 126 | 133.1 | -98.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 114 | K | 39.8 | Very low | 39.8 | Very low | 200 Ų | 200 | 134 Ų | 134 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -52.5 | 133.7 | 167.3 | 169.3 | -171.7 | -179.4 | -178.7 | 0 | 114.3 | ||||
| 115 | A | 40.5 | Very low | 39.4 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -151.7 | 102.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 116 | E | 41.7 | Very low | 39.3 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 61% | 0.612 | 81% | 0.805 | S | S | * | * | trans | -107.9 | 145.5 | 171.6 | -161.2 | -86.2 | 165.9 | 0 | 0 | 106.8 | L118 | E116-L118 VanDerWaalsContact OE1-CB 3.25Å; E116-L118 WeakPolarHBondContact OE1-CB 3.39Å; E116-L118 VanDerWaalsContact OE1-CG 3.24Å; E116-L118 WeakPolarHBondContact OE1-CG 3.46Å; E116-L118 PolarHBondContact OE1-N 3.13Å; E116-L118 PolarHBondContact OE2-N 2.7Å | ||
| 117 | P | 44.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -136.7 | 101.6 | 152.3 | 33.8 | -18.2 | 0 | 0 | 0 | 112.9 | ||||
| 118 | L | 44.6 | Very low | 38.7 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 156 | 160.6 | -113.9 | 175.2 | 0 | 0 | 0 | 112 | E116 | E116-L118 VanDerWaalsContact OE1-CB 3.25Å; E116-L118 WeakPolarHBondContact OE1-CB 3.39Å; E116-L118 VanDerWaalsContact OE1-CG 3.24Å; E116-L118 WeakPolarHBondContact OE1-CG 3.46Å; E116-L118 PolarHBondContact OE1-N 3.13Å; E116-L118 PolarHBondContact OE2-N 2.7Å | ||
| 119 | L | 40.8 | Very low | 38 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | 76.1 | 132.5 | 161.2 | -63.7 | 167 | 0 | 0 | 0 | 119.4 | ||||
| 120 | G | 30.7 | Very low | 38.2 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -178.4 | 39.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 121 | R | 41.6 | Very low | 38 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | -108.5 | 126.6 | 161.1 | -154.2 | -167.6 | -167.9 | -113.3 | 1.2 | 105.8 | ||||
| 122 | P | 48.4 | Very low | 38.2 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | -149.4 | 169 | 98.2 | 37.6 | -20.1 | 0 | 0 | 0 | 114.6 | |||||
| 123 | G | 32.3 | Very low | 37.8 | Very low | 68 Ų | 68 | 147.5 Ų | 147.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 166.8 | 108.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 124 | D | 38.4 | Very low | 37.8 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -142.1 | 165 | -168.6 | -150.6 | -35.1 | 0 | 0 | 0 | 110.4 | ||||
| 125 | V | 36.1 | Very low | 37.5 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | trans | 71.2 | 109.6 | 169.5 | -167.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 126 | H | 30.1 | Very low | 37.5 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | -154.7 | 154.8 | 110.2 | -107.4 | 73.4 | 0 | 0 | 0 | 112.6 | |||||
| 127 | K | 41.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -106.1 | 179.9 | -164.8 | -63.2 | -178.7 | 176.7 | -179.5 | 0 | 113 | ||||
| 128 | Q | 30.9 | Very low | 36.9 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | 95.8 | 136.8 | 167.1 | -55.7 | 174.1 | -9.1 | 0 | 0 | 114 | ||||
| 129 | G | 30.6 | Very low | 36.4 | Very low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -156.3 | 176.7 | 6.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 130 | T | 38.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -64 | 143.8 | -174.6 | -31.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 131 | Q | 32.9 | Very low | 36.9 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -156 | 119.3 | 130.9 | -115.1 | 176.3 | 23.3 | 0 | 0 | 110.8 | ||||
| 132 | E | 36.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -86 | 141.8 | 169.3 | -62.9 | 178.4 | 118.6 | 0 | 0 | 109.7 | ||||
| 133 | Y | 32.6 | Very low | 36.1 | Very low | 217 Ų | 217 | 146.6 Ų | 146.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -148.1 | 124.9 | 139.4 | 60.4 | -86.6 | 0 | 0 | 0 | 109.2 | ||||
| 134 | N | 40.4 | Very low | 36.4 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -95.4 | 141.8 | 164.5 | -84.6 | -69.4 | 0 | 0 | 0 | 108.3 | ||||
| 135 | L | 34.1 | Very low | 36.4 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -151.7 | 133.8 | 136.4 | -157.5 | 62.2 | 0 | 0 | 0 | 110.4 | ||||
| 136 | E | 39.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -72.8 | 160.9 | -177.6 | -61.5 | 145.5 | 89.3 | 0 | 0 | 112.5 | ||||
| 137 | T | 35.8 | Very low | 37.1 | Very low | 147 Ų | 147 | 149 Ų | 149 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -150.9 | 143.1 | 138 | -73.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 138 | S | 39.1 | Very low | 37 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -91.2 | 149 | -161 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 139 | A | 33.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 149.6 Ų | 149.6 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | 48.4 | 115.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 140 | A | 33.4 | Very low | 38.3 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -142.6 | 146.6 | 135 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 141 | R | 47.8 | Very low | 38.6 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 94 | -172.3 | 39.4 | 172.8 | 148.9 | -165.3 | -9.1 | 111.4 | ||||
| 142 | E | 38.1 | Very low | 39.2 | Very low | 200 Ų | 200 | 149.6 Ų | 149.6 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | -142.4 | 144.6 | 162.4 | -59.5 | -172.5 | 171.2 | 0 | 0 | 104.7 | ||||
| 143 | G | 35.2 | Very low | 40 | Very low | 65 Ų | 65 | 149.4 Ų | 149.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | cis | 135.8 | 136.8 | 13.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 144 | I | 38.1 | Very low | 40.7 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | 87.2 | 128.3 | 157 | -58.7 | 176.1 | 0 | 0 | 0 | 118.9 | ||||
| 145 | V | 39.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 75.5 | 91.1 | 156.8 | 171.8 | 0 | 0 | 0 | 0 | 120.2 | N147 | V145-N147 PolarHBondContact O-N 2.72Š| ||
| 146 | S | 44.6 | Very low | 41.6 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | 11 | 104 | 118 | -171.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 147 | N | 34.7 | Very low | 41.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -98.5 | 96.2 | 162.3 | -139.3 | -6.1 | 0 | 0 | 0 | 109.3 | V145 R149 | V145-N147 PolarHBondContact O-N 2.72Å; N147-R149 PolarHBondContact O-N 3.03Å | ||
| 148 | Q | 39.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -61.7 | 123 | 178.7 | -67.6 | 178.2 | 70.3 | 0 | 0 | 109.7 | P150 | Q148-P150 VanDerWaalsContact O-CD 3.25Å; Q148-P150 WeakPolarHBondContact O-CD 3.34Å | ||
| 149 | R | 49.1 | Very low | 42.4 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | -57.8 | 115.7 | 164.6 | 174 | -177.7 | 175.7 | -169.4 | -3.3 | 107.9 | N147 S151 | N147-R149 PolarHBondContact O-N 3.03Å; R149-S151 PolarHBondContact O-N 3.38Å | ||
| 150 | P | 41.1 | Very low | 42.6 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -69 | 104.1 | 174.9 | 26.3 | -29.8 | 0 | 0 | 0 | 108.1 | Q148 F152 | Q148-P150 VanDerWaalsContact O-CD 3.25Å; Q148-P150 WeakPolarHBondContact O-CD 3.34Å; P150-F152 PolarHBondContact O-N 3.45Å | ||
| 151 | S | 45.1 | Very low | 43 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -72.4 | 78.8 | 167.2 | -169.1 | 0 | 0 | 0 | 0 | 108.3 | R149 E153 | R149-S151 PolarHBondContact O-N 3.38Å; S151-E153 VanDerWaalsContact C-N 3.26Å; S151-E153 PolarHBondContact O-N 3.2Å | ||
| 152 | F | 45.8 | Very low | 42.9 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | -75.8 | 86.2 | 169.3 | -170.5 | -96.7 | 0 | 0 | 0 | 108.8 | P150 D154 | P150-F152 PolarHBondContact O-N 3.45Å; F152-D154 HydrophobicContact CE1-CB 4.41Å; F152-D154 PolarHBondContact O-N 3.24Å | ||
| 153 | E | 53.5 | Low | 43.1 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | trans | -68.9 | 107.7 | 160.8 | -63.3 | -148.5 | 125.4 | 0 | 0 | 108.6 | S151 | S151-E153 VanDerWaalsContact C-N 3.26Å; S151-E153 PolarHBondContact O-N 3.2Å | ||
| 154 | D | 45.5 | Very low | 43.9 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | -169.9 | 66.3 | 131.2 | -118.6 | -45.2 | 0 | 0 | 0 | 109.8 | F152 K156 | F152-D154 HydrophobicContact CE1-CB 4.41Å; F152-D154 PolarHBondContact O-N 3.24Å; D154-K156 PolarHBondContact O-N 3.29Å | ||
| 155 | N | 45.1 | Very low | 44.2 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 53% | 0.529 | 73% | 0.734 | S | S | . | * | trans | -76.3 | 81.5 | 166 | -81.6 | -82.7 | 0 | 0 | 0 | 108.2 | V157 N220 | N155-V157 PolarHBondContact O-N 3.38Å; N155-N220 VanDerWaalsContact CG-ND2 3.27Å; N155-N220 PolarHBondContact ND2-ND2 3.29Å; N155-N220 VanDerWaalsContact ND2-ND2 3.12Å; N155-N220 PolarHBondContact OD1-ND2 3.11Å; N155-N220 VanDerWaalsContact OD1-ND2 3.09Å | ||
| 156 | K | 49.9 | Very low | 44.9 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -68 | 75.7 | 170.3 | -160 | -179.6 | -156.4 | -58.2 | 0 | 109.8 | D154 C158 | D154-K156 PolarHBondContact O-N 3.29Å; K156-C158 PolarHBondContact O-N 3.13Å | ||
| 157 | V | 43.2 | Very low | 45.4 | Very low | 105 Ų | 105 | 146 Ų | 146 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -52.2 | 123.5 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | N155 E159 | N155-V157 PolarHBondContact O-N 3.38Å; V157-E159 HydrophobicContact CB-CG 4.32Å; V157-E159 HydrophobicContact CG1-CG 3.6Å; V157-E159 PolarHBondContact O-N 2.95Å | ||
| 158 | C | 47.6 | Very low | 46.2 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 57% | 0.568 | 74% | 0.74 | S | S | * | * | trans | -77.3 | 69.3 | 168.8 | -66.2 | 0 | 0 | 0 | 0 | 109.1 | K156 G160 | K156-C158 PolarHBondContact O-N 3.13Å; C158-G160 VanDerWaalsContact C-N 3.33Å; C158-G160 PolarHBondContact O-N 3.45Å | ||
| 159 | E | 39.3 | Very low | 47.2 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -64.3 | 99.7 | 159.4 | -68.7 | -132.2 | 125.3 | 0 | 0 | 106.9 | V157 | V157-E159 HydrophobicContact CB-CG 4.32Å; V157-E159 HydrophobicContact CG1-CG 3.6Å; V157-E159 PolarHBondContact O-N 2.95Å | ||
| 160 | G | 38.4 | Very low | 47.6 | Very low | 47 Ų | 47 | 141.8 Ų | 141.8 | 49% | 0.485 | 74% | 0.742 | S | S | . | * | trans | -83.3 | 118.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107 | C158 E162 | C158-G160 VanDerWaalsContact C-N 3.33Å; C158-G160 PolarHBondContact O-N 3.45Å; G160-E162 PolarHBondContact O-N 3.23Å | ||
| 161 | S | 41.1 | Very low | 48.7 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -44.7 | 132.8 | 178.6 | -47.2 | 0 | 0 | 0 | 0 | 111.9 | D163 | S161-D163 PolarHBondContact O-N 2.99Š| ||
| 162 | E | 47.3 | Very low | 49.4 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | trans | -82.7 | 69.9 | 176 | -63.2 | -170.9 | 123.8 | 0 | 0 | 110.4 | G160 K164 | G160-E162 PolarHBondContact O-N 3.23Å; E162-K164 PolarHBondContact O-N 2.89Å | ||
| 163 | D | 42.4 | Very low | 49.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -70.2 | 126.8 | 170.8 | -85.4 | -56.5 | 0 | 0 | 0 | 111 | S161 D165 | S161-D163 PolarHBondContact O-N 2.99Å; D163-D165 PolarHBondContact O-N 3.3Å | ||
| 164 | K | 52.2 | Low | 50.1 | Low | 203 Ų | 203 | 129.4 Ų | 129.4 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -94.2 | 69.3 | -157.4 | -173.9 | -176.3 | -178.9 | 177 | 0 | 111.3 | E162 | E162-K164 PolarHBondContact O-N 2.89Š| ||
| 165 | D | 42.5 | Very low | 50.7 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | trans | -87.2 | 124.3 | 173.6 | -168.1 | 52.7 | 0 | 0 | 0 | 112.6 | D163 T167 | D163-D165 PolarHBondContact O-N 3.3Å; D165-T167 PolarHBondContact OD2-OG1 3.27Å | ||
| 166 | R | 55.2 | Low | 51.5 | Low | 242 Ų | 242 | 132.2 Ų | 132.2 | 91% | 0.913 | 70% | 0.699 | S | S | * | * | trans | -95.9 | 90.5 | 171.2 | -87.3 | -172.5 | 161.6 | -158.5 | -2.5 | 108.7 | ||||
| 167 | T | 55.8 | Low | 52.1 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | trans | -95.4 | 134.9 | 174.4 | -8.6 | 0 | 0 | 0 | 0 | 111.8 | D165 | D165-T167 PolarHBondContact OD2-OG1 3.27Š| ||
| 168 | D | 52.1 | Low | 52.9 | Low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 134.5 | -173.1 | -93.6 | -52.6 | 0 | 0 | 0 | 114.9 | T170 | D168-T170 PolarHBondContact O-N 3.02Š| ||
| 169 | Q | 58.8 | Low | 53.5 | Low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 68% | 0.675 | S | S | * | * | trans | -97.2 | 71.5 | -177.3 | -69.8 | 176 | 47.7 | 0 | 0 | 112.4 | ||||
| 170 | T | 58.3 | Low | 54.5 | Low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | trans | -135.8 | -2.6 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 116.5 | D168 | D168-T170 PolarHBondContact O-N 3.02Š| ||
| 171 | N | 62.8 | Low | 55.7 | Low | 99 Ų | 99 | 133.3 Ų | 133.3 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | trans | -119.1 | 106.4 | 179.9 | -169 | -20.2 | 0 | 0 | 0 | 113.7 | A173 A174 | N171-A173 VanDerWaalsContact C-N 3.33Å; N171-A173 PolarHBondContact O-N 3.06Å; N171-A173 WeakPolarHBondContact OD1-CB 3.36Å; N171-A173 PolarHBondContact OD1-N 3.5Å; N171-A174 HydrophobicContact CB-CB 4.14Å; N171-A174 PolarHBondContact O-N 2.93Å; N171-A174 PolarHBondContact OD1-N 3.11Å | ||
| 172 | P | 60.6 | Low | 57.2 | Low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -23.6 | -179.5 | 28.7 | -34.6 | 0 | 0 | 0 | 113.9 | S175 | P172-S175 VanDerWaalsContact O-CB 3.3Å; P172-S175 WeakPolarHBondContact O-CB 3.1Å; P172-S175 PolarHBondContact O-N 3.45Å |
| 173 | A | 56.8 | Low | 58.6 | Low | 64 Ų | 64 | 132 Ų | 132 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -35 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | N171 S175 W176 | N171-A173 VanDerWaalsContact C-N 3.33Å; N171-A173 PolarHBondContact O-N 3.06Å; N171-A173 WeakPolarHBondContact OD1-CB 3.36Å; N171-A173 PolarHBondContact OD1-N 3.5Å; A173-S175 PolarHBondContact O-N 2.63Å; A173-W176 PolarHBondContact O-N 3.19Å |
| 174 | A | 57.1 | Low | 60.5 | Low | 27 Ų | 27 | 132.8 Ų | 132.8 | 22% | 0.223 | 67% | 0.671 | C | S | . | * | H | α-helix | trans | -60.3 | -28.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N171 W176 L177 H178 | N171-A174 HydrophobicContact CB-CB 4.14Å; N171-A174 PolarHBondContact O-N 2.93Å; N171-A174 PolarHBondContact OD1-N 3.11Å; A174-W176 VanDerWaalsContact C-N 3.28Å; A174-W176 PolarHBondContact O-N 2.44Å; A174-L177 PolarHBondContact O-N 3.21Å; A174-H178 WeakPolarHBondContact O-CB 3.27Å; A174-H178 PolarHBondContact O-CD2 2.69Å; A174-H178 PolarHBondContact O-N 3.2Å |
| 175 | S | 58.9 | Low | 62.1 | Low | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -56.3 | -36.5 | 178.7 | -165.9 | 0 | 0 | 0 | 0 | 113.6 | P172 A173 A179 | P172-S175 VanDerWaalsContact O-CB 3.3Å; P172-S175 WeakPolarHBondContact O-CB 3.1Å; P172-S175 PolarHBondContact O-N 3.45Å; A173-S175 PolarHBondContact O-N 2.63Å; S175-A179 WeakPolarHBondContact O-CA 3.4Å; S175-A179 WeakPolarHBondContact O-CB 3.24Å; S175-A179 PolarHBondContact O-N 3.12Å |
| 176 | W | 61.3 | Low | 64.4 | Low | 211 Ų | 211 | 136.6 Ų | 136.6 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.8 | -36.1 | -178.6 | -70.1 | 97 | 0 | 0 | 0 | 113.3 | A173 A174 | A173-W176 PolarHBondContact O-N 3.19Å; A174-W176 VanDerWaalsContact C-N 3.28Å; A174-W176 PolarHBondContact O-N 2.44Å |
| 177 | L | 61.8 | Low | 66.2 | Low | 146 Ų | 146 | 128.5 Ų | 128.5 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.6 | -41.2 | 175.6 | -61.7 | 175.9 | 0 | 0 | 0 | 110.7 | A174 | A174-L177 PolarHBondContact O-N 3.21Å |
| 178 | H | 59.9 | Low | 68.2 | Low | 111 Ų | 111 | 129 Ų | 129 | 51% | 0.514 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -78.5 | -14.2 | 176.9 | -62.1 | -57.2 | 0 | 0 | 0 | 114.5 | A174 R180 S181 S182 | A174-H178 WeakPolarHBondContact O-CB 3.27Å; A174-H178 PolarHBondContact O-CD2 2.69Å; A174-H178 PolarHBondContact O-N 3.2Å; H178-R180 PolarHBondContact O-N 2.93Å; H178-S181 WeakPolarHBondContact O-CA 3.18Å; H178-S181 PolarHBondContact O-N 3.06Å; H178-S182 PolarHBondContact O-N 3.19Å; H178-S182 PolarHBondContact O-OG 3.28Å |
| 179 | A | 60.4 | Low | 70.4 | Confident | 26 Ų | 26 | 125.2 Ų | 125.2 | 22% | 0.215 | 64% | 0.635 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | -16.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S175 R183 | S175-A179 WeakPolarHBondContact O-CA 3.4Å; S175-A179 WeakPolarHBondContact O-CB 3.24Å; S175-A179 PolarHBondContact O-N 3.12Å; A179-R183 PolarHBondContact O-NE 2.74Å |
| 180 | R | 60.5 | Low | 72.3 | Confident | 231 Ų | 231 | 119.6 Ų | 119.6 | 87% | 0.872 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -25.2 | 171.3 | -63.2 | -175.4 | 69.6 | 168.9 | 0.1 | 113.4 | H178 | H178-R180 PolarHBondContact O-N 2.93Š|
| 181 | S | 64.8 | Low | 74.2 | Confident | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -45.7 | -175.1 | -158.7 | 0 | 0 | 0 | 0 | 112.6 | H178 R183 | H178-S181 WeakPolarHBondContact O-CA 3.18Å; H178-S181 PolarHBondContact O-N 3.06Å; S181-R183 VanDerWaalsContact C-N 3.26Å; S181-R183 PolarHBondContact O-N 3.3Å |
| 182 | S | 71.3 | Confident | 75.9 | Confident | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -78.8 | -2.8 | -177.5 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | H178 | H178-S182 PolarHBondContact O-N 3.19Å; H178-S182 PolarHBondContact O-OG 3.28Å |
| 183 | R | 77.1 | Confident | 77.7 | Confident | 169 Ų | 169 | 120 Ų | 120 | 64% | 0.638 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -88.5 | 118.2 | -176.9 | -171.1 | 177.3 | -63 | 173 | 0.2 | 110.6 | A179 S181 K185 | A179-R183 PolarHBondContact O-NE 2.74Å; S181-R183 VanDerWaalsContact C-N 3.26Å; S181-R183 PolarHBondContact O-N 3.3Å; R183-K185 PolarHBondContact O-N 2.95Å |
| 184 | K | 81.8 | Confident | 79.7 | Confident | 163 Ų | 163 | 119.1 Ų | 119.1 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | trans | -34.7 | 120.4 | 172.9 | -167.7 | 88.3 | 167.7 | -176.5 | 0 | 110.9 | R186 | K184-R186 PolarHBondContact O-N 3.47Š| ||
| 185 | K | 86.8 | Confident | 81.6 | Confident | 186 Ų | 186 | 123.1 Ų | 123.1 | 81% | 0.809 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -51 | 131.5 | -178.1 | -176 | 178.9 | 179.2 | -179.7 | 0 | 110.2 | R183 C187 | R183-K185 PolarHBondContact O-N 2.95Å; K185-C187 PolarHBondContact O-N 3.44Å |
| 186 | R | 91 | Very high | 83.5 | Confident | 223 Ų | 223 | 121.5 Ų | 121.5 | 84% | 0.842 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.1 | 176.4 | -74.1 | -174.6 | 172.7 | -176.5 | -1.5 | 109.6 | K184 | K184-R186 PolarHBondContact O-N 3.47Š|
| 187 | C | 93.3 | Very high | 85.3 | Confident | 72 Ų | 72 | 111.5 Ų | 111.5 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 124.2 | 169.3 | -57.6 | 0 | 0 | 0 | 0 | 107.6 | K185 | K185-C187 PolarHBondContact O-N 3.44Š|
| 188 | P | 96.5 | Very high | 87.1 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 79% | 0.786 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 149.3 | 173 | 30.1 | -33.7 | 0 | 0 | 0 | 110.2 | ||
| 189 | Y | 98.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 108 Ų | 108 | 28% | 0.282 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 150 | 172.6 | -58.3 | -52.3 | 0 | 0 | 0 | 110.6 | L221 Q225 W229 | Y189-L221 HydrophobicContact CD1-CD1 4.12Å; Y189-L221 HydrophobicContact CD1-CD2 3.85Å; Y189-L221 HydrophobicContact CE1-CD1 4.01Å; Y189-L221 HydrophobicContact CE1-CD2 3.67Å; Y189-Q225 WeakPolarHBondContact OH-CB 3.41Å; Y189-W229 AromaticContact CD2-CD1 3.86Å; Y189-W229 AromaticContact CE2-CD1 3.7Å |
| 190 | T | 98.5 | Very high | 90.7 | Very high | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 165.4 | 176 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | Y192 Q193 T194 | T190-Y192 VanDerWaalsContact C-N 3.32Å; T190-Y192 PolarHBondContact O-N 2.95Å; T190-Q193 PolarHBondContact O-N 3.19Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.35Å; T190-Q193 PolarHBondContact OG1-N 3.35Å; T190-Q193 VanDerWaalsContact OG1-N 3.13Å; T190-T194 PolarHBondContact O-N 2.9Å; T190-T194 PolarHBondContact O-OG1 3.04Å |
| 191 | K | 98.3 | Very high | 92.5 | Very high | 186 Ų | 186 | 96.5 Ų | 96.5 | 81% | 0.809 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.1 | -46.7 | 173.6 | -67 | -175.2 | 179.7 | -179.4 | 0 | 111 | T194 L195 | K191-T194 PolarHBondContact O-N 3.23Å; K191-L195 WeakPolarHBondContact O-CG 3.25Å; K191-L195 PolarHBondContact O-N 3.37Å |
| 192 | Y | 98.3 | Very high | 94.1 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 51% | 0.514 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 176.9 | 174.9 | -107.4 | 0 | 0 | 0 | 112.6 | T190 T194 L195 E196 L219 | T190-Y192 VanDerWaalsContact C-N 3.32Å; T190-Y192 PolarHBondContact O-N 2.95Å; Y192-T194 VanDerWaalsContact C-N 3.25Å; Y192-T194 PolarHBondContact O-N 3.37Å; Y192-L195 PolarHBondContact O-N 3.12Å; Y192-E196 HydrophobicContact CD2-CG 4.21Å; Y192-E196 HydrophobicContact CE1-CG 4.44Å; Y192-E196 HydrophobicContact CE2-CG 3.66Å; Y192-E196 PolarHBondContact O-N 3.2Å; Y192-L219 HydrophobicContact CD1-CD2 4.28Å; Y192-L219 HydrophobicContact CE1-CD2 3.72Å |
| 193 | Q | 98.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 101.2 Ų | 101.2 | 12% | 0.117 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 176.5 | -73.6 | 174.1 | -27.3 | 0 | 0 | 111.8 | T190 L197 L219 | T190-Q193 PolarHBondContact O-N 3.19Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.35Å; T190-Q193 PolarHBondContact OG1-N 3.35Å; T190-Q193 VanDerWaalsContact OG1-N 3.13Å; Q193-L197 WeakPolarHBondContact O-CB 3.37Å; Q193-L197 VanDerWaalsContact O-CD1 3.29Å; Q193-L197 WeakPolarHBondContact O-CD1 3.38Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 3.37Å; Q193-L197 VanDerWaalsContact O-N 3.12Å; Q193-L219 HydrophobicContact CG-CB 4.26Å; Q193-L219 PolarHBondContact NE2-O 3.2Å |
| 194 | T | 98.5 | Very high | 96.4 | Very high | 45 Ų | 45 | 96.5 Ų | 96.5 | 28% | 0.276 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 179.3 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | T190 K191 Y192 L197 E198 | T190-T194 PolarHBondContact O-N 2.9Å; T190-T194 PolarHBondContact O-OG1 3.04Å; K191-T194 PolarHBondContact O-N 3.23Å; Y192-T194 VanDerWaalsContact C-N 3.25Å; Y192-T194 PolarHBondContact O-N 3.37Å; T194-L197 PolarHBondContact O-N 2.85Å; T194-E198 WeakPolarHBondContact O-CG 3.4Å; T194-E198 PolarHBondContact O-N 3.32Å |
| 195 | L | 98.6 | Very high | 97.1 | Very high | 112 Ų | 112 | 91.9 Ų | 91.9 | 59% | 0.586 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 179.8 | -72.7 | 171.5 | 0 | 0 | 0 | 112.5 | K191 Y192 E198 K199 | K191-L195 WeakPolarHBondContact O-CG 3.25Å; K191-L195 PolarHBondContact O-N 3.37Å; Y192-L195 PolarHBondContact O-N 3.12Å; L195-E198 PolarHBondContact O-N 2.95Å; L195-K199 WeakPolarHBondContact O-CB 3.14Å; L195-K199 PolarHBondContact O-N 2.97Å |
| 196 | E | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 89.9 Ų | 89.9 | 20% | 0.201 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 178.2 | -72.1 | -65.1 | 129 | 0 | 0 | 111.8 | Y192 E198 K199 E200 L219 | Y192-E196 HydrophobicContact CD2-CG 4.21Å; Y192-E196 HydrophobicContact CE1-CG 4.44Å; Y192-E196 HydrophobicContact CE2-CG 3.66Å; Y192-E196 PolarHBondContact O-N 3.2Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-E198 PolarHBondContact O-N 3.37Å; E196-K199 PolarHBondContact O-N 2.82Å; E196-K199 IonicContact OE1-NZ 2.89Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K199 IonicContact OE2-NZ 2.68Å; E196-K199 PolarHBondContact OE2-NZ 3.19Å; E196-E200 WeakPolarHBondContact O-CB 3.3Å; E196-E200 VanDerWaalsContact O-CG 3.3Å; E196-E200 WeakPolarHBondContact O-CG 3.35Å; E196-E200 PolarHBondContact O-N 3.37Å; E196-L219 HydrophobicContact CB-CD1 4.09Å; E196-L219 HydrophobicContact CB-CD2 3.65Å; E196-L219 HydrophobicContact CB-CG 4.46Å; E196-L219 HydrophobicContact CG-CD2 4.03Å |
| 197 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | 172.2 | -72.9 | 166.9 | 0 | 0 | 0 | 112.6 | Q193 T194 F201 V215 L219 L221 V226 W229 F230 | Q193-L197 WeakPolarHBondContact O-CB 3.37Å; Q193-L197 VanDerWaalsContact O-CD1 3.29Å; Q193-L197 WeakPolarHBondContact O-CD1 3.38Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 3.37Å; Q193-L197 VanDerWaalsContact O-N 3.12Å; T194-L197 PolarHBondContact O-N 2.85Å; L197-F201 VanDerWaalsContact O-CB 3.27Å; L197-F201 WeakPolarHBondContact O-CB 3.42Å; L197-F201 PolarHBondContact O-N 3.26Å; L197-V215 HydrophobicContact CD2-CG1 3.99Å; L197-L219 HydrophobicContact CD1-CD1 4.37Å; L197-L219 HydrophobicContact CD2-CD1 3.91Å; L197-L219 HydrophobicContact CG-CD1 3.65Å; L197-L221 HydrophobicContact CD1-CD1 4.13Å; L197-V226 HydrophobicContact CD2-CG1 4.11Å; L197-W229 VanDerWaalsContact C-CH2 3.43Å; L197-W229 HydrophobicContact CB-CD2 3.85Å; L197-W229 HydrophobicContact CB-CE3 3.89Å; L197-W229 HydrophobicContact CB-CH2 3.74Å; L197-W229 HydrophobicContact CB-CZ2 3.67Å; L197-W229 HydrophobicContact CB-CZ3 3.84Å; L197-W229 HydrophobicContact CD1-CB 4.42Å; L197-W229 HydrophobicContact CD1-CD2 3.91Å; L197-W229 HydrophobicContact CD1-CG 3.79Å; L197-W229 HydrophobicContact CD2-CD2 4.38Å; L197-W229 HydrophobicContact CD2-CE3 4.28Å; L197-W229 HydrophobicContact CG-CD2 4.26Å; L197-W229 HydrophobicContact CG-CE3 4.47Å; L197-W229 VanDerWaalsContact O-CH2 3.31Å; L197-W229 WeakPolarHBondContact O-CH2 3.45Å; L197-W229 VanDerWaalsContact O-CZ3 3.28Å; L197-W229 WeakPolarHBondContact O-CZ3 3.36Å; L197-F230 HydrophobicContact CD2-CE2 3.99Å |
| 198 | E | 98.7 | Very high | 98.3 | Very high | 71 Ų | 71 | 81 Ų | 81 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 175.6 | -73.5 | -171.2 | 160.7 | 0 | 0 | 112.5 | T194 L195 E196 F201 L202 W229 | T194-E198 WeakPolarHBondContact O-CG 3.4Å; T194-E198 PolarHBondContact O-N 3.32Å; L195-E198 PolarHBondContact O-N 2.95Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-E198 PolarHBondContact O-N 3.37Å; E198-F201 PolarHBondContact O-N 2.96Å; E198-L202 WeakPolarHBondContact O-CG 3.29Å; E198-L202 PolarHBondContact O-N 3.4Å; E198-W229 HydrophobicContact CB-CH2 4.46Å; E198-W229 HydrophobicContact CG-CH2 3.75Å; E198-W229 HydrophobicContact CG-CZ2 3.72Å |
| 199 | K | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 83.3 Ų | 83.3 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 172.8 | 170.2 | -176.8 | 162.1 | -156.3 | 0 | 112 | L195 E196 F201 L202 F203 | L195-K199 WeakPolarHBondContact O-CB 3.14Å; L195-K199 PolarHBondContact O-N 2.97Å; E196-K199 PolarHBondContact O-N 2.82Å; E196-K199 IonicContact OE1-NZ 2.89Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K199 IonicContact OE2-NZ 2.68Å; E196-K199 PolarHBondContact OE2-NZ 3.19Å; K199-F201 VanDerWaalsContact C-N 3.29Å; K199-F201 PolarHBondContact O-N 2.81Å; K199-L202 PolarHBondContact O-N 2.88Å; K199-F203 PolarHBondContact O-N 3.37Å |
| 200 | E | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 84.8 Ų | 84.8 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -36.6 | 175.7 | -72.4 | -64.3 | 128.5 | 0 | 0 | 112.5 | E196 F203 N204 R211 V215 F230 | E196-E200 WeakPolarHBondContact O-CB 3.3Å; E196-E200 VanDerWaalsContact O-CG 3.3Å; E196-E200 WeakPolarHBondContact O-CG 3.35Å; E196-E200 PolarHBondContact O-N 3.37Å; E200-F203 PolarHBondContact O-N 3.03Å; E200-N204 PolarHBondContact O-N 3.28Å; E200-R211 VanDerWaalsContact CD-NH2 3.26Å; E200-R211 IonicContact OE1-CZ 3.64Å; E200-R211 IonicContact OE1-NE 2.44Å; E200-R211 IonicContact OE1-NH2 2.7Å; E200-R211 PolarHBondContact OE1-NH2 3.42Å; E200-R211 IonicContact OE2-CZ 3.34Å; E200-R211 IonicContact OE2-NE 3.91Å; E200-R211 PolarHBondContact OE2-NE 3.17Å; E200-R211 IonicContact OE2-NH2 3.13Å; E200-R211 PolarHBondContact OE2-NH2 3.47Å; E200-R211 VanDerWaalsContact OE2-NH2 3.13Å; E200-V215 HydrophobicContact CG-CG2 3.76Å; E200-F230 HydrophobicContact CB-CZ 3.96Å |
| 201 | F | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 85.1 Ų | 85.1 | 0% | 0.004 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.5 | -32.8 | 177.6 | 177.6 | -96.5 | 0 | 0 | 0 | 113.8 | L197 E198 K199 N204 M205 W229 F230 R233 R234 M237 | L197-F201 VanDerWaalsContact O-CB 3.27Å; L197-F201 WeakPolarHBondContact O-CB 3.42Å; L197-F201 PolarHBondContact O-N 3.26Å; E198-F201 PolarHBondContact O-N 2.96Å; K199-F201 VanDerWaalsContact C-N 3.29Å; K199-F201 PolarHBondContact O-N 2.81Å; F201-N204 CarbonylContact O-C 3.4Å; F201-M205 HydrophobicContact CD2-CB 4.27Å; F201-M205 HydrophobicContact CD2-CG 4.33Å; F201-M205 HydrophobicContact CE1-CG 4.18Å; F201-M205 HydrophobicContact CE2-CB 3.76Å; F201-M205 HydrophobicContact CE2-CE 4.44Å; F201-M205 HydrophobicContact CE2-CG 3.78Å; F201-M205 HydrophobicContact CZ-CB 4.18Å; F201-M205 HydrophobicContact CZ-CE 3.99Å; F201-M205 HydrophobicContact CZ-CG 3.72Å; F201-M205 HydrophobicContact CZ-SD 4.4Å; F201-M205 PolarHBondContact O-N 3.08Å; F201-W229 HydrophobicContact CB-CH2 4.2Å; F201-W229 HydrophobicContact CB-CZ3 3.91Å; F201-W229 HydrophobicContact CG-CZ3 4.33Å; F201-F230 HydrophobicContact CB-CE1 3.95Å; F201-F230 HydrophobicContact CB-CZ 4.07Å; F201-F230 AromaticContact CD2-CD1 3.91Å; F201-F230 HydrophobicContact CD2-CD1 3.91Å; F201-F230 AromaticContact CD2-CE1 3.89Å; F201-F230 HydrophobicContact CD2-CE1 3.89Å; F201-F230 HydrophobicContact CG-CE1 4.44Å; F201-R233 HydrophobicContact CB-CG 4.45Å; F201-R233 HydrophobicContact CD1-CG 3.61Å; F201-R233 HydrophobicContact CD2-CB 4.26Å; F201-R233 HydrophobicContact CD2-CG 3.68Å; F201-R233 HydrophobicContact CE1-CG 3.66Å; F201-R233 HydrophobicContact CE2-CB 4.26Å; F201-R233 HydrophobicContact CE2-CG 3.75Å; F201-R233 HydrophobicContact CG-CG 3.62Å; F201-R233 HydrophobicContact CZ-CG 3.72Å; F201-R234 HydrophobicContact CE2-CG 3.65Å; F201-R234 HydrophobicContact CZ-CG 4.16Å; F201-M237 HydrophobicContact CE1-CE 3.7Å; F201-M237 HydrophobicContact CZ-CE 3.91Å; F201-M237 HydrophobicContact CZ-SD 4.31Å |
| 202 | L | 98.2 | Very high | 98.4 | Very high | 139 Ų | 139 | 78.9 Ų | 78.9 | 73% | 0.728 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.3 | -35.5 | 172.1 | -68.8 | 173 | 0 | 0 | 0 | 111.6 | E198 K199 | E198-L202 WeakPolarHBondContact O-CG 3.29Å; E198-L202 PolarHBondContact O-N 3.4Å; K199-L202 PolarHBondContact O-N 2.88Å |
| 203 | F | 98.2 | Very high | 98.4 | Very high | 164 Ų | 164 | 76.2 Ų | 76.2 | 72% | 0.719 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67 | -47.8 | 172.6 | 177.8 | -103.7 | 0 | 0 | 0 | 111.9 | K199 E200 | K199-F203 PolarHBondContact O-N 3.37Å; E200-F203 PolarHBondContact O-N 3.03Å |
| 204 | N | 97.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 78.9 Ų | 78.9 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -151.8 | 118.9 | 173.7 | -175.3 | -9.7 | 0 | 0 | 0 | 111.5 | E200 F201 Y206 F230 | E200-N204 PolarHBondContact O-N 3.28Å; F201-N204 CarbonylContact O-C 3.4Å; N204-Y206 VanDerWaalsContact CG-O 3.25Å; N204-Y206 PolarHBondContact ND2-O 3.39Å; N204-Y206 VanDerWaalsContact ND2-O 3.11Å; N204-Y206 PolarHBondContact O-N 2.94Å; N204-Y206 PolarHBondContact OD1-N 3.3Å; N204-Y206 PolarHBondContact OD1-O 3.2Å; N204-Y206 VanDerWaalsContact OD1-O 3.12Å; N204-F230 WeakPolarHBondContact O-CE1 3.36Å | ||
| 205 | M | 97.8 | Very high | 98.4 | Very high | 67 Ų | 67 | 76.9 Ų | 76.9 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -64.6 | -11.1 | 179.5 | -65.5 | 174.9 | 53.3 | 0 | 0 | 114.6 | F201 R234 M237 | F201-M205 HydrophobicContact CD2-CB 4.27Å; F201-M205 HydrophobicContact CD2-CG 4.33Å; F201-M205 HydrophobicContact CE1-CG 4.18Å; F201-M205 HydrophobicContact CE2-CB 3.76Å; F201-M205 HydrophobicContact CE2-CE 4.44Å; F201-M205 HydrophobicContact CE2-CG 3.78Å; F201-M205 HydrophobicContact CZ-CB 4.18Å; F201-M205 HydrophobicContact CZ-CE 3.99Å; F201-M205 HydrophobicContact CZ-CG 3.72Å; F201-M205 HydrophobicContact CZ-SD 4.4Å; F201-M205 PolarHBondContact O-N 3.08Å; M205-R234 HydrophobicContact CE-CG 4.43Å; M205-M237 HydrophobicContact CE-CE 4.04Å; M205-M237 HydrophobicContact CE-SD 3.35Å; M205-M237 WeakPolarHBondContact CE-SD 3.45Å; M205-M237 HydrophobicContact SD-CE 4.11Å; M205-M237 HydrophobicContact SD-SD 4.11Å |
| 206 | Y | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 72 Ų | 72 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -134.5 | 108.7 | -176.3 | -67 | -102.4 | 0 | 0 | 0 | 111.4 | N204 | N204-Y206 VanDerWaalsContact CG-O 3.25Å; N204-Y206 PolarHBondContact ND2-O 3.39Å; N204-Y206 VanDerWaalsContact ND2-O 3.11Å; N204-Y206 PolarHBondContact O-N 2.94Å; N204-Y206 PolarHBondContact OD1-N 3.3Å; N204-Y206 PolarHBondContact OD1-O 3.2Å; N204-Y206 VanDerWaalsContact OD1-O 3.12Å |
| 207 | L | 98.2 | Very high | 98.4 | Very high | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | trans | -76.8 | 133 | 177.8 | -59.2 | -174.4 | 0 | 0 | 0 | 113.2 | R211 R212 V226 F230 | L207-R211 HydrophobicContact CD2-CG 3.99Å; L207-R212 HydrophobicContact CB-CB 4.3Å; L207-R212 HydrophobicContact CD1-CB 4.17Å; L207-R212 HydrophobicContact CD1-CG 4.34Å; L207-V226 HydrophobicContact CD1-CG1 3.55Å; L207-F230 HydrophobicContact CD1-CD1 4.43Å; L207-F230 HydrophobicContact CD1-CD2 3.85Å; L207-F230 HydrophobicContact CD1-CE1 4.18Å; L207-F230 HydrophobicContact CD1-CE2 3.59Å; L207-F230 HydrophobicContact CD1-CG 4.28Å; L207-F230 HydrophobicContact CD1-CZ 3.77Å; L207-F230 HydrophobicContact CD2-CD1 4.47Å; L207-F230 HydrophobicContact CD2-CE1 3.73Å; L207-F230 HydrophobicContact CD2-CE2 4.38Å; L207-F230 HydrophobicContact CD2-CZ 3.68Å; L207-F230 HydrophobicContact CG-CD1 3.89Å; L207-F230 HydrophobicContact CG-CD2 4.21Å; L207-F230 HydrophobicContact CG-CE1 3.61Å; L207-F230 HydrophobicContact CG-CE2 3.98Å; L207-F230 HydrophobicContact CG-CG 4.19Å; L207-F230 HydrophobicContact CG-CZ 3.67Å | ||
| 208 | T | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 83.1 Ų | 83.1 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | trans | -63 | 175.2 | 160.4 | 61.7 | 0 | 0 | 0 | 0 | 111 | R211 R212 | T208-R211 WeakPolarHBondContact OG1-CB 3.48Å; T208-R211 PolarHBondContact OG1-N 3.35Å; T208-R212 WeakPolarHBondContact O-CB 3.39Å; T208-R212 PolarHBondContact O-N 3.07Å | ||
| 209 | R | 98.3 | Very high | 98.3 | Very high | 168 Ų | 168 | 80.1 Ų | 80.1 | 63% | 0.634 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -51.7 | 175.4 | -177.7 | 177.5 | -175.3 | -166.9 | -5.2 | 110.8 | R212 H213 | R209-R212 WeakPolarHBondContact O-CB 3.41Å; R209-R212 PolarHBondContact O-N 3.11Å; R209-H213 VanDerWaalsContact CD-NE2 3.35Å; R209-H213 WeakPolarHBondContact CD-NE2 3.39Å; R209-H213 WeakPolarHBondContact CG-NE2 3.44Å; R209-H213 VanDerWaalsContact CZ-NE2 3.33Å; R209-H213 PolarHBondContact NE-NE2 3.12Å; R209-H213 PolarHBondContact NH2-NE2 2.92Å; R209-H213 PolarHBondContact O-CD2 2.84Å; R209-H213 VanDerWaalsContact O-CD2 3.3Å; R209-H213 PolarHBondContact O-N 2.99Å; R209-H213 VanDerWaalsContact O-N 3.11Å |
| 210 | D | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 79.5 Ų | 79.5 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.3 | -41.1 | -169.7 | -46.3 | -51.5 | 0 | 0 | 0 | 111.6 | R212 H213 E214 | D210-R212 PolarHBondContact O-N 3.04Å; D210-H213 WeakPolarHBondContact O-CB 3.3Å; D210-H213 PolarHBondContact O-N 3.25Å; D210-E214 PolarHBondContact O-N 3.07Å |
| 211 | R | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 79.7 Ų | 79.7 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.8 | -32.6 | 173.9 | -169.4 | 54.5 | 172.4 | -169.4 | -2.1 | 112.6 | E200 L207 T208 E214 V215 | E200-R211 VanDerWaalsContact CD-NH2 3.26Å; E200-R211 IonicContact OE1-CZ 3.64Å; E200-R211 IonicContact OE1-NE 2.44Å; E200-R211 IonicContact OE1-NH2 2.7Å; E200-R211 PolarHBondContact OE1-NH2 3.42Å; E200-R211 IonicContact OE2-CZ 3.34Å; E200-R211 IonicContact OE2-NE 3.91Å; E200-R211 PolarHBondContact OE2-NE 3.17Å; E200-R211 IonicContact OE2-NH2 3.13Å; E200-R211 PolarHBondContact OE2-NH2 3.47Å; E200-R211 VanDerWaalsContact OE2-NH2 3.13Å; L207-R211 HydrophobicContact CD2-CG 3.99Å; T208-R211 WeakPolarHBondContact OG1-CB 3.48Å; T208-R211 PolarHBondContact OG1-N 3.35Å; R211-E214 WeakPolarHBondContact CD-OE2 3.48Å; R211-E214 IonicContact CZ-OE2 3.62Å; R211-E214 IonicContact NE-OE2 3.21Å; R211-E214 IonicContact NH1-OE2 2.72Å; R211-E214 PolarHBondContact NH1-OE2 2.91Å; R211-E214 PolarHBondContact O-N 2.79Å; R211-V215 HydrophobicContact CG-CG2 4.4Å; R211-V215 VanDerWaalsContact O-CG2 3.3Å; R211-V215 WeakPolarHBondContact O-CG2 3.22Å; R211-V215 PolarHBondContact O-N 3.22Å |
| 212 | R | 98.7 | Very high | 98.3 | Very high | 56 Ų | 56 | 82.3 Ų | 82.3 | 21% | 0.211 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.4 | -170.1 | -166.3 | -54.2 | 143.5 | 11.2 | 111.9 | L207 T208 R209 D210 A216 E223 V226 | L207-R212 HydrophobicContact CB-CB 4.3Å; L207-R212 HydrophobicContact CD1-CB 4.17Å; L207-R212 HydrophobicContact CD1-CG 4.34Å; T208-R212 WeakPolarHBondContact O-CB 3.39Å; T208-R212 PolarHBondContact O-N 3.07Å; R209-R212 WeakPolarHBondContact O-CB 3.41Å; R209-R212 PolarHBondContact O-N 3.11Å; D210-R212 PolarHBondContact O-N 3.04Å; R212-A216 WeakPolarHBondContact O-CB 3.44Å; R212-A216 PolarHBondContact O-N 3.44Å; R212-E223 WeakPolarHBondContact CD-O 3.42Å; R212-E223 HydrophobicContact CG-CB 4.21Å; R212-E223 HydrophobicContact CG-CG 4.27Å; R212-E223 IonicContact NH1-OE2 2.69Å; R212-V226 HydrophobicContact CG-CB 4.19Å; R212-V226 HydrophobicContact CG-CG1 4.09Å |
| 213 | H | 98.7 | Very high | 98.3 | Very high | 75 Ų | 75 | 78.7 Ų | 78.7 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 174.4 | -69.4 | -58.2 | 0 | 0 | 0 | 111.5 | R209 D210 A216 R217 E223 | R209-H213 VanDerWaalsContact CD-NE2 3.35Å; R209-H213 WeakPolarHBondContact CD-NE2 3.39Å; R209-H213 WeakPolarHBondContact CG-NE2 3.44Å; R209-H213 VanDerWaalsContact CZ-NE2 3.33Å; R209-H213 PolarHBondContact NE-NE2 3.12Å; R209-H213 PolarHBondContact NH2-NE2 2.92Å; R209-H213 PolarHBondContact O-CD2 2.84Å; R209-H213 VanDerWaalsContact O-CD2 3.3Å; R209-H213 PolarHBondContact O-N 2.99Å; R209-H213 VanDerWaalsContact O-N 3.11Å; D210-H213 WeakPolarHBondContact O-CB 3.3Å; D210-H213 PolarHBondContact O-N 3.25Å; H213-A216 PolarHBondContact O-N 3.47Å; H213-R217 PolarHBondContact O-N 3.47Å; H213-R217 VanDerWaalsContact O-N 3.09Å; H213-E223 IonicContact CE1-OE1 3.19Å; H213-E223 PolarHBondContact CE1-OE1 3.24Å; H213-E223 IonicContact CE1-OE2 3.19Å; H213-E223 PolarHBondContact CE1-OE2 3.08Å; H213-E223 IonicContact ND1-OE1 3.57Å; H213-E223 PolarHBondContact ND1-OE1 3.3Å; H213-E223 IonicContact ND1-OE2 2.8Å |
| 214 | E | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 79.6 Ų | 79.6 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.9 | -55.1 | 177.1 | -69.3 | 171 | -176 | 0 | 0 | 112.1 | D210 R211 A216 R217 L218 | D210-E214 PolarHBondContact O-N 3.07Å; R211-E214 WeakPolarHBondContact CD-OE2 3.48Å; R211-E214 IonicContact CZ-OE2 3.62Å; R211-E214 IonicContact NE-OE2 3.21Å; R211-E214 IonicContact NH1-OE2 2.72Å; R211-E214 PolarHBondContact NH1-OE2 2.91Å; R211-E214 PolarHBondContact O-N 2.79Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 2.9Å; E214-R217 PolarHBondContact O-N 3.27Å; E214-L218 WeakPolarHBondContact O-CG 3.46Å; E214-L218 PolarHBondContact O-N 3.41Å |
| 215 | V | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | L197 E200 R211 L218 L219 V226 | L197-V215 HydrophobicContact CD2-CG1 3.99Å; E200-V215 HydrophobicContact CG-CG2 3.76Å; R211-V215 HydrophobicContact CG-CG2 4.4Å; R211-V215 VanDerWaalsContact O-CG2 3.3Å; R211-V215 WeakPolarHBondContact O-CG2 3.22Å; R211-V215 PolarHBondContact O-N 3.22Å; V215-L218 PolarHBondContact O-N 3.43Å; V215-L219 HydrophobicContact CG1-CD1 3.87Å; V215-L219 HydrophobicContact CG1-CG 4.43Å; V215-L219 WeakPolarHBondContact O-CB 3.27Å; V215-L219 WeakPolarHBondContact O-CG 3.28Å; V215-L219 PolarHBondContact O-N 3.04Å; V215-V226 HydrophobicContact CG1-CG1 4.06Å; V215-V226 HydrophobicContact CG1-CG2 4.4Å |
| 216 | A | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 76.4 Ų | 76.4 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R212 H213 E214 N220 L221 E223 V226 | R212-A216 WeakPolarHBondContact O-CB 3.44Å; R212-A216 PolarHBondContact O-N 3.44Å; H213-A216 PolarHBondContact O-N 3.47Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 2.9Å; A216-N220 PolarHBondContact O-N 3.43Å; A216-L221 CarbonylContact C-O 3.35Å; A216-L221 WeakPolarHBondContact CA-O 3.5Å; A216-L221 VanDerWaalsContact CB-O 3.27Å; A216-L221 WeakPolarHBondContact CB-O 3.35Å; A216-L221 PolarHBondContact O-N 2.86Å; A216-L221 VanDerWaalsContact O-O 3.04Å; A216-E223 HydrophobicContact CB-CG 4.2Å; A216-V226 HydrophobicContact CB-CG2 4.13Å |
| 217 | R | 98.4 | Very high | 98.4 | Very high | 179 Ų | 179 | 75.3 Ų | 75.3 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 176.5 | -68.3 | -161.7 | -48.1 | 95.6 | 4.8 | 113.4 | H213 E214 L219 N220 | H213-R217 PolarHBondContact O-N 3.47Å; H213-R217 VanDerWaalsContact O-N 3.09Å; E214-R217 PolarHBondContact O-N 3.27Å; R217-L219 PolarHBondContact O-N 3.48Å; R217-N220 PolarHBondContact O-OD1 3.45Å |
| 218 | L | 98.1 | Very high | 98.4 | Very high | 99 Ų | 99 | 76.6 Ų | 76.6 | 52% | 0.518 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -30.1 | -177.4 | -74.3 | 170.6 | 0 | 0 | 0 | 112.5 | E214 V215 | E214-L218 WeakPolarHBondContact O-CG 3.46Å; E214-L218 PolarHBondContact O-N 3.41Å; V215-L218 PolarHBondContact O-N 3.43Å |
| 219 | L | 98.3 | Very high | 98.4 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 3.6 | -174.6 | -58.1 | -174 | 0 | 0 | 0 | 113.8 | Y192 Q193 E196 L197 V215 R217 L221 | Y192-L219 HydrophobicContact CD1-CD2 4.28Å; Y192-L219 HydrophobicContact CE1-CD2 3.72Å; Q193-L219 HydrophobicContact CG-CB 4.26Å; Q193-L219 PolarHBondContact NE2-O 3.2Å; E196-L219 HydrophobicContact CB-CD1 4.09Å; E196-L219 HydrophobicContact CB-CD2 3.65Å; E196-L219 HydrophobicContact CB-CG 4.46Å; E196-L219 HydrophobicContact CG-CD2 4.03Å; L197-L219 HydrophobicContact CD1-CD1 4.37Å; L197-L219 HydrophobicContact CD2-CD1 3.91Å; L197-L219 HydrophobicContact CG-CD1 3.65Å; V215-L219 HydrophobicContact CG1-CD1 3.87Å; V215-L219 HydrophobicContact CG1-CG 4.43Å; V215-L219 WeakPolarHBondContact O-CB 3.27Å; V215-L219 WeakPolarHBondContact O-CG 3.28Å; V215-L219 PolarHBondContact O-N 3.04Å; R217-L219 PolarHBondContact O-N 3.48Å; L219-L221 VanDerWaalsContact C-N 3.25Å; L219-L221 HydrophobicContact CB-CD1 4.18Å; L219-L221 HydrophobicContact CB-CG 4.12Å; L219-L221 PolarHBondContact O-N 3.22Å |
| 220 | N | 98.3 | Very high | 98.4 | Very high | 99 Ų | 99 | 66.4 Ų | 66.4 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.6 | -172 | -66.9 | 4.6 | 0 | 0 | 0 | 112.6 | N155 A216 R217 | N155-N220 VanDerWaalsContact CG-ND2 3.27Å; N155-N220 PolarHBondContact ND2-ND2 3.29Å; N155-N220 VanDerWaalsContact ND2-ND2 3.12Å; N155-N220 PolarHBondContact OD1-ND2 3.11Å; N155-N220 VanDerWaalsContact OD1-ND2 3.09Å; A216-N220 PolarHBondContact O-N 3.43Å; R217-N220 PolarHBondContact O-OD1 3.45Å |
| 221 | L | 97.9 | Very high | 98.4 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | trans | -116.6 | 152.7 | 176.7 | -65.8 | -179.1 | 0 | 0 | 0 | 110.2 | Y189 L197 A216 L219 Q225 V226 | Y189-L221 HydrophobicContact CD1-CD1 4.12Å; Y189-L221 HydrophobicContact CD1-CD2 3.85Å; Y189-L221 HydrophobicContact CE1-CD1 4.01Å; Y189-L221 HydrophobicContact CE1-CD2 3.67Å; L197-L221 HydrophobicContact CD1-CD1 4.13Å; A216-L221 CarbonylContact C-O 3.35Å; A216-L221 WeakPolarHBondContact CA-O 3.5Å; A216-L221 VanDerWaalsContact CB-O 3.27Å; A216-L221 WeakPolarHBondContact CB-O 3.35Å; A216-L221 PolarHBondContact O-N 2.86Å; A216-L221 VanDerWaalsContact O-O 3.04Å; L219-L221 VanDerWaalsContact C-N 3.25Å; L219-L221 HydrophobicContact CB-CD1 4.18Å; L219-L221 HydrophobicContact CB-CG 4.12Å; L219-L221 PolarHBondContact O-N 3.22Å; L221-Q225 HydrophobicContact CB-CB 4.33Å; L221-V226 HydrophobicContact CB-CG2 4.15Å | ||
| 222 | S | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | trans | -68.5 | 147.6 | 167 | 64.4 | 0 | 0 | 0 | 0 | 111 | R224 Q225 V226 | S222-R224 PolarHBondContact O-N 3.47Å; S222-Q225 WeakPolarHBondContact O-CB 3.31Å; S222-Q225 PolarHBondContact O-N 3.39Å; S222-Q225 WeakPolarHBondContact OG-CG 3.34Å; S222-Q225 PolarHBondContact OG-N 2.87Å; S222-Q225 PolarHBondContact OG-OE1 3.49Å; S222-V226 PolarHBondContact O-N 2.99Å; S222-V226 VanDerWaalsContact O-N 3.12Å | ||
| 223 | E | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 66.9 Ų | 66.9 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -48.8 | -36.2 | 169.5 | -75.2 | -178.7 | -101.1 | 0 | 0 | 112.6 | R212 H213 A216 V226 K227 | R212-E223 WeakPolarHBondContact CD-O 3.42Å; R212-E223 HydrophobicContact CG-CB 4.21Å; R212-E223 HydrophobicContact CG-CG 4.27Å; R212-E223 IonicContact NH1-OE2 2.69Å; H213-E223 IonicContact CE1-OE1 3.19Å; H213-E223 PolarHBondContact CE1-OE1 3.24Å; H213-E223 IonicContact CE1-OE2 3.19Å; H213-E223 PolarHBondContact CE1-OE2 3.08Å; H213-E223 IonicContact ND1-OE1 3.57Å; H213-E223 PolarHBondContact ND1-OE1 3.3Å; H213-E223 IonicContact ND1-OE2 2.8Å; A216-E223 HydrophobicContact CB-CG 4.2Å; E223-V226 PolarHBondContact O-N 2.97Å; E223-K227 VanDerWaalsContact O-CB 3.3Å; E223-K227 WeakPolarHBondContact O-CB 3.49Å; E223-K227 PolarHBondContact O-N 2.92Å |
| 224 | R | 98 | Very high | 98.4 | Very high | 183 Ų | 183 | 67.1 Ų | 67.1 | 69% | 0.691 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65 | -41 | 178.7 | -173.1 | 176.9 | -178.9 | -82.2 | -0.3 | 111.5 | S222 I228 | S222-R224 PolarHBondContact O-N 3.47Å; R224-I228 HydrophobicContact CG-CD1 3.94Å; R224-I228 WeakPolarHBondContact O-CB 3.16Å; R224-I228 WeakPolarHBondContact O-CD1 3.3Å; R224-I228 VanDerWaalsContact O-CG1 3.22Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 3Å |
| 225 | Q | 98.3 | Very high | 98.4 | Very high | 71 Ų | 71 | 68.5 Ų | 68.5 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.7 | -78.8 | 160.6 | -66.1 | 0 | 0 | 111.2 | Y189 L221 S222 I228 W229 | Y189-Q225 WeakPolarHBondContact OH-CB 3.41Å; L221-Q225 HydrophobicContact CB-CB 4.33Å; S222-Q225 WeakPolarHBondContact O-CB 3.31Å; S222-Q225 PolarHBondContact O-N 3.39Å; S222-Q225 WeakPolarHBondContact OG-CG 3.34Å; S222-Q225 PolarHBondContact OG-N 2.87Å; S222-Q225 PolarHBondContact OG-OE1 3.49Å; Q225-I228 PolarHBondContact O-N 3.39Å; Q225-W229 WeakPolarHBondContact O-CB 3.34Å; Q225-W229 PolarHBondContact O-N 3.28Å |
| 226 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | L197 L207 R212 V215 A216 L221 S222 E223 I228 W229 F230 | L197-V226 HydrophobicContact CD2-CG1 4.11Å; L207-V226 HydrophobicContact CD1-CG1 3.55Å; R212-V226 HydrophobicContact CG-CB 4.19Å; R212-V226 HydrophobicContact CG-CG1 4.09Å; V215-V226 HydrophobicContact CG1-CG1 4.06Å; V215-V226 HydrophobicContact CG1-CG2 4.4Å; A216-V226 HydrophobicContact CB-CG2 4.13Å; L221-V226 HydrophobicContact CB-CG2 4.15Å; S222-V226 PolarHBondContact O-N 2.99Å; S222-V226 VanDerWaalsContact O-N 3.12Å; E223-V226 PolarHBondContact O-N 2.97Å; V226-I228 PolarHBondContact O-N 3.01Å; V226-W229 PolarHBondContact O-N 3.05Å; V226-F230 HydrophobicContact CG1-CD2 3.99Å; V226-F230 HydrophobicContact CG1-CE2 4.1Å; V226-F230 WeakPolarHBondContact O-CD2 3.35Å; V226-F230 PolarHBondContact O-N 3.12Å |
| 227 | K | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 176.4 | -177.6 | -178.1 | 178.1 | -178.6 | 0 | 112.3 | E223 Q231 | E223-K227 VanDerWaalsContact O-CB 3.3Å; E223-K227 WeakPolarHBondContact O-CB 3.49Å; E223-K227 PolarHBondContact O-N 2.92Å; K227-Q231 PolarHBondContact O-N 3.05Å; K227-Q231 VanDerWaalsContact O-N 3.07Å |
| 228 | I | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 74.3 Ų | 74.3 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 178.4 | -72.2 | 168.1 | 0 | 0 | 0 | 110.9 | R224 Q225 V226 Q231 N232 | R224-I228 HydrophobicContact CG-CD1 3.94Å; R224-I228 WeakPolarHBondContact O-CB 3.16Å; R224-I228 WeakPolarHBondContact O-CD1 3.3Å; R224-I228 VanDerWaalsContact O-CG1 3.22Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 3Å; Q225-I228 PolarHBondContact O-N 3.39Å; V226-I228 PolarHBondContact O-N 3.01Å; I228-Q231 PolarHBondContact O-N 3.39Å; I228-N232 WeakPolarHBondContact O-CB 3.44Å; I228-N232 VanDerWaalsContact O-CG 3.24Å; I228-N232 PolarHBondContact O-N 2.89Å; I228-N232 PolarHBondContact O-ND2 3.42Å |
| 229 | W | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 75.7 Ų | 75.7 | 11% | 0.114 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 177 | -172.3 | 103.5 | 0 | 0 | 0 | 111 | Y189 L197 E198 F201 Q225 V226 Q231 N232 R233 | Y189-W229 AromaticContact CD2-CD1 3.86Å; Y189-W229 AromaticContact CE2-CD1 3.7Å; L197-W229 VanDerWaalsContact C-CH2 3.43Å; L197-W229 HydrophobicContact CB-CD2 3.85Å; L197-W229 HydrophobicContact CB-CE3 3.89Å; L197-W229 HydrophobicContact CB-CH2 3.74Å; L197-W229 HydrophobicContact CB-CZ2 3.67Å; L197-W229 HydrophobicContact CB-CZ3 3.84Å; L197-W229 HydrophobicContact CD1-CB 4.42Å; L197-W229 HydrophobicContact CD1-CD2 3.91Å; L197-W229 HydrophobicContact CD1-CG 3.79Å; L197-W229 HydrophobicContact CD2-CD2 4.38Å; L197-W229 HydrophobicContact CD2-CE3 4.28Å; L197-W229 HydrophobicContact CG-CD2 4.26Å; L197-W229 HydrophobicContact CG-CE3 4.47Å; L197-W229 VanDerWaalsContact O-CH2 3.31Å; L197-W229 WeakPolarHBondContact O-CH2 3.45Å; L197-W229 VanDerWaalsContact O-CZ3 3.28Å; L197-W229 WeakPolarHBondContact O-CZ3 3.36Å; E198-W229 HydrophobicContact CB-CH2 4.46Å; E198-W229 HydrophobicContact CG-CH2 3.75Å; E198-W229 HydrophobicContact CG-CZ2 3.72Å; F201-W229 HydrophobicContact CB-CH2 4.2Å; F201-W229 HydrophobicContact CB-CZ3 3.91Å; F201-W229 HydrophobicContact CG-CZ3 4.33Å; Q225-W229 WeakPolarHBondContact O-CB 3.34Å; Q225-W229 PolarHBondContact O-N 3.28Å; V226-W229 PolarHBondContact O-N 3.05Å; W229-Q231 VanDerWaalsContact C-N 3.3Å; W229-Q231 PolarHBondContact O-N 3.02Å; W229-N232 PolarHBondContact O-N 3.43Å; W229-N232 VanDerWaalsContact O-N 3.17Å; W229-R233 HydrophobicContact CD2-CB 4.44Å; W229-R233 HydrophobicContact CE3-CB 3.92Å; W229-R233 HydrophobicContact CE3-CG 4.45Å; W229-R233 HydrophobicContact CH2-CB 3.9Å; W229-R233 HydrophobicContact CH2-CG 3.58Å; W229-R233 HydrophobicContact CZ2-CB 4.42Å; W229-R233 HydrophobicContact CZ2-CG 4.33Å; W229-R233 HydrophobicContact CZ3-CB 3.63Å; W229-R233 HydrophobicContact CZ3-CG 3.66Å; W229-R233 WeakPolarHBondContact O-CB 3.35Å; W229-R233 PolarHBondContact O-N 3.22Å |
| 230 | F | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 79.8 Ų | 79.8 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.5 | -32.2 | 176.4 | -91 | -103 | 0 | 0 | 0 | 113.4 | L197 E200 F201 N204 L207 V226 R234 | L197-F230 HydrophobicContact CD2-CE2 3.99Å; E200-F230 HydrophobicContact CB-CZ 3.96Å; F201-F230 HydrophobicContact CB-CE1 3.95Å; F201-F230 HydrophobicContact CB-CZ 4.07Å; F201-F230 AromaticContact CD2-CD1 3.91Å; F201-F230 HydrophobicContact CD2-CD1 3.91Å; F201-F230 AromaticContact CD2-CE1 3.89Å; F201-F230 HydrophobicContact CD2-CE1 3.89Å; F201-F230 HydrophobicContact CG-CE1 4.44Å; N204-F230 WeakPolarHBondContact O-CE1 3.36Å; L207-F230 HydrophobicContact CD1-CD1 4.43Å; L207-F230 HydrophobicContact CD1-CD2 3.85Å; L207-F230 HydrophobicContact CD1-CE1 4.18Å; L207-F230 HydrophobicContact CD1-CE2 3.59Å; L207-F230 HydrophobicContact CD1-CG 4.28Å; L207-F230 HydrophobicContact CD1-CZ 3.77Å; L207-F230 HydrophobicContact CD2-CD1 4.47Å; L207-F230 HydrophobicContact CD2-CE1 3.73Å; L207-F230 HydrophobicContact CD2-CE2 4.38Å; L207-F230 HydrophobicContact CD2-CZ 3.68Å; L207-F230 HydrophobicContact CG-CD1 3.89Å; L207-F230 HydrophobicContact CG-CD2 4.21Å; L207-F230 HydrophobicContact CG-CE1 3.61Å; L207-F230 HydrophobicContact CG-CE2 3.98Å; L207-F230 HydrophobicContact CG-CG 4.19Å; L207-F230 HydrophobicContact CG-CZ 3.67Å; V226-F230 HydrophobicContact CG1-CD2 3.99Å; V226-F230 HydrophobicContact CG1-CE2 4.1Å; V226-F230 WeakPolarHBondContact O-CD2 3.35Å; V226-F230 PolarHBondContact O-N 3.12Å; F230-R234 WeakPolarHBondContact O-CG 3.39Å; F230-R234 PolarHBondContact O-N 3.38Å; F230-R234 PolarHBondContact O-NE 2.98Å |
| 231 | Q | 98.7 | Very high | 97.5 | Very high | 106 Ų | 106 | 80.4 Ų | 80.4 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 171.9 | -171.7 | 173.6 | 10.6 | 0 | 0 | 111.2 | K227 I228 W229 R233 R234 M235 | K227-Q231 PolarHBondContact O-N 3.05Å; K227-Q231 VanDerWaalsContact O-N 3.07Å; I228-Q231 PolarHBondContact O-N 3.39Å; W229-Q231 VanDerWaalsContact C-N 3.3Å; W229-Q231 PolarHBondContact O-N 3.02Å; Q231-R233 VanDerWaalsContact C-N 3.35Å; Q231-R233 PolarHBondContact O-N 3.09Å; Q231-R234 PolarHBondContact O-N 3.46Å; Q231-M235 WeakPolarHBondContact O-CG 3.24Å; Q231-M235 PolarHBondContact O-N 3.17Å; Q231-M235 VanDerWaalsContact O-N 3.11Å |
| 232 | N | 98.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 87 Ų | 87 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.8 | -67.9 | -18.4 | 0 | 0 | 0 | 112 | I228 W229 M235 K236 | I228-N232 WeakPolarHBondContact O-CB 3.44Å; I228-N232 VanDerWaalsContact O-CG 3.24Å; I228-N232 PolarHBondContact O-N 2.89Å; I228-N232 PolarHBondContact O-ND2 3.42Å; W229-N232 PolarHBondContact O-N 3.43Å; W229-N232 VanDerWaalsContact O-N 3.17Å; N232-M235 PolarHBondContact O-N 2.85Å; N232-K236 PolarHBondContact O-N 2.81Å |
| 233 | R | 98.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 89.3 Ų | 89.3 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | -179.6 | -176.8 | 63.9 | -172 | 82 | -3.4 | 112.6 | F201 W229 Q231 K236 M237 | F201-R233 HydrophobicContact CB-CG 4.45Å; F201-R233 HydrophobicContact CD1-CG 3.61Å; F201-R233 HydrophobicContact CD2-CB 4.26Å; F201-R233 HydrophobicContact CD2-CG 3.68Å; F201-R233 HydrophobicContact CE1-CG 3.66Å; F201-R233 HydrophobicContact CE2-CB 4.26Å; F201-R233 HydrophobicContact CE2-CG 3.75Å; F201-R233 HydrophobicContact CG-CG 3.62Å; F201-R233 HydrophobicContact CZ-CG 3.72Å; W229-R233 HydrophobicContact CD2-CB 4.44Å; W229-R233 HydrophobicContact CE3-CB 3.92Å; W229-R233 HydrophobicContact CE3-CG 4.45Å; W229-R233 HydrophobicContact CH2-CB 3.9Å; W229-R233 HydrophobicContact CH2-CG 3.58Å; W229-R233 HydrophobicContact CZ2-CB 4.42Å; W229-R233 HydrophobicContact CZ2-CG 4.33Å; W229-R233 HydrophobicContact CZ3-CB 3.63Å; W229-R233 HydrophobicContact CZ3-CG 3.66Å; W229-R233 WeakPolarHBondContact O-CB 3.35Å; W229-R233 PolarHBondContact O-N 3.22Å; Q231-R233 VanDerWaalsContact C-N 3.35Å; Q231-R233 PolarHBondContact O-N 3.09Å; R233-K236 PolarHBondContact O-N 2.8Å; R233-M237 PolarHBondContact O-N 3.22Å |
| 234 | R | 98.4 | Very high | 95.4 | Very high | 80 Ų | 80 | 93.2 Ų | 93.2 | 30% | 0.302 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 171.6 | -72.7 | -177.6 | -71.4 | 145.8 | -4.7 | 112.2 | F201 M205 F230 Q231 M237 K238 | F201-R234 HydrophobicContact CE2-CG 3.65Å; F201-R234 HydrophobicContact CZ-CG 4.16Å; M205-R234 HydrophobicContact CE-CG 4.43Å; F230-R234 WeakPolarHBondContact O-CG 3.39Å; F230-R234 PolarHBondContact O-N 3.38Å; F230-R234 PolarHBondContact O-NE 2.98Å; Q231-R234 PolarHBondContact O-N 3.46Å; R234-M237 PolarHBondContact O-N 2.69Å; R234-K238 PolarHBondContact O-N 3.3Å |
| 235 | M | 98.3 | Very high | 94.1 | Very high | 109 Ų | 109 | 87.6 Ų | 87.6 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.5 | -66.5 | -67.6 | -88.5 | 0 | 0 | 112 | Q231 N232 K238 K239 | Q231-M235 WeakPolarHBondContact O-CG 3.24Å; Q231-M235 PolarHBondContact O-N 3.17Å; Q231-M235 VanDerWaalsContact O-N 3.11Å; N232-M235 PolarHBondContact O-N 2.85Å; M235-K238 PolarHBondContact O-N 3.04Å; M235-K239 PolarHBondContact O-N 3.34Å |
| 236 | K | 97.4 | Very high | 92.3 | Very high | 121 Ų | 121 | 92.4 Ų | 92.4 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 173.2 | -174.1 | -177.6 | 176.6 | -172.7 | 0 | 111.6 | N232 R233 K239 M240 | N232-K236 PolarHBondContact O-N 2.81Å; R233-K236 PolarHBondContact O-N 2.8Å; K236-K239 PolarHBondContact O-N 3.19Å; K236-M240 HydrophobicContact CD-SD 4.47Å; K236-M240 HydrophobicContact CG-SD 4Å; K236-M240 WeakPolarHBondContact O-CG 3.33Å; K236-M240 PolarHBondContact O-N 2.8Å |
| 237 | M | 96.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 103.5 Ų | 103.5 | 27% | 0.266 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.2 | -56.3 | 174.7 | 178.1 | -176 | -91.6 | 0 | 0 | 111 | F201 M205 R233 R234 K239 M240 N241 | F201-M237 HydrophobicContact CE1-CE 3.7Å; F201-M237 HydrophobicContact CZ-CE 3.91Å; F201-M237 HydrophobicContact CZ-SD 4.31Å; M205-M237 HydrophobicContact CE-CE 4.04Å; M205-M237 HydrophobicContact CE-SD 3.35Å; M205-M237 WeakPolarHBondContact CE-SD 3.45Å; M205-M237 HydrophobicContact SD-CE 4.11Å; M205-M237 HydrophobicContact SD-SD 4.11Å; R233-M237 PolarHBondContact O-N 3.22Å; R234-M237 PolarHBondContact O-N 2.69Å; M237-K239 PolarHBondContact O-N 3.4Å; M237-K239 VanDerWaalsContact O-N 3.08Å; M237-M240 PolarHBondContact O-N 2.89Å; M237-N241 VanDerWaalsContact CG-OD1 3.24Å; M237-N241 WeakPolarHBondContact CG-OD1 3.34Å; M237-N241 PolarHBondContact O-N 2.85Å; M237-N241 PolarHBondContact O-OD1 3.16Å |
| 238 | K | 96.8 | Very high | 89.4 | Confident | 138 Ų | 138 | 102.7 Ų | 102.7 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -54 | -35.1 | 179.7 | -171.7 | -179.5 | 68.7 | 174.4 | 0 | 113 | R234 M235 K242 | R234-K238 PolarHBondContact O-N 3.3Å; M235-K238 PolarHBondContact O-N 3.04Å; K238-K242 PolarHBondContact O-N 3.26Å |
| 239 | K | 95.9 | Very high | 89 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -54.2 | 174 | -177 | 178.3 | 170.8 | -178.8 | 0 | 111.2 | M235 K236 M237 N241 K242 E243 | M235-K239 PolarHBondContact O-N 3.34Å; K236-K239 PolarHBondContact O-N 3.19Å; M237-K239 PolarHBondContact O-N 3.4Å; M237-K239 VanDerWaalsContact O-N 3.08Å; K239-N241 PolarHBondContact O-N 3.38Å; K239-K242 PolarHBondContact O-N 2.9Å; K239-E243 VanDerWaalsContact CE-CD 3.43Å; K239-E243 WeakPolarHBondContact CE-OE1 2.74Å; K239-E243 WeakPolarHBondContact CE-OE2 3.39Å; K239-E243 IonicContact NZ-OE1 3.83Å; K239-E243 PolarHBondContact O-N 2.97Å |
| 240 | M | 93.7 | Very high | 88.4 | Confident | 94 Ų | 94 | 109.5 Ų | 109.5 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.3 | -45.8 | -179.6 | -68 | 170.9 | 64.2 | 0 | 0 | 112.2 | K236 M237 K242 E243 Q244 | K236-M240 HydrophobicContact CD-SD 4.47Å; K236-M240 HydrophobicContact CG-SD 4Å; K236-M240 WeakPolarHBondContact O-CG 3.33Å; K236-M240 PolarHBondContact O-N 2.8Å; M237-M240 PolarHBondContact O-N 2.89Å; M240-K242 PolarHBondContact O-N 3.02Å; M240-E243 PolarHBondContact O-N 3.32Å; M240-E243 VanDerWaalsContact O-N 3.09Å; M240-Q244 WeakPolarHBondContact O-CG 3.32Å; M240-Q244 PolarHBondContact O-N 3.48Å |
| 241 | N | 91.4 | Very high | 87.8 | Confident | 112 Ų | 112 | 115.5 Ų | 115.5 | 60% | 0.599 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.8 | -28 | 177.2 | -73.1 | 79.2 | 0 | 0 | 0 | 113.6 | M237 K239 | M237-N241 VanDerWaalsContact CG-OD1 3.24Å; M237-N241 WeakPolarHBondContact CG-OD1 3.34Å; M237-N241 PolarHBondContact O-N 2.85Å; M237-N241 PolarHBondContact O-OD1 3.16Å; K239-N241 PolarHBondContact O-N 3.38Å |
| 242 | K | 88.1 | Confident | 87.1 | Confident | 158 Ų | 158 | 116.1 Ų | 116.1 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -82 | -24.8 | 176.5 | -178.1 | 171.5 | 178.7 | 176.8 | 0 | 112.8 | K238 K239 M240 | K238-K242 PolarHBondContact O-N 3.26Å; K239-K242 PolarHBondContact O-N 2.9Å; M240-K242 PolarHBondContact O-N 3.02Å |
| 243 | E | 83.9 | Confident | 86.4 | Confident | 103 Ų | 103 | 117.3 Ų | 117.3 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -82.2 | -35.2 | 177.8 | -70.8 | 169.5 | 159.4 | 0 | 0 | 111.1 | K239 M240 G245 | K239-E243 VanDerWaalsContact CE-CD 3.43Å; K239-E243 WeakPolarHBondContact CE-OE1 2.74Å; K239-E243 WeakPolarHBondContact CE-OE2 3.39Å; K239-E243 IonicContact NZ-OE1 3.83Å; K239-E243 PolarHBondContact O-N 2.97Å; M240-E243 PolarHBondContact O-N 3.32Å; M240-E243 VanDerWaalsContact O-N 3.09Å; E243-G245 VanDerWaalsContact C-N 3.35Å; E243-G245 PolarHBondContact O-N 2.95Å |
| 244 | Q | 78 | Confident | 85.5 | Confident | 145 Ų | 145 | 122.4 Ų | 122.4 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -73.1 | -18.1 | 177.9 | -67.6 | -76.7 | -77.1 | 0 | 0 | 114.9 | M240 K246 | M240-Q244 WeakPolarHBondContact O-CG 3.32Å; M240-Q244 PolarHBondContact O-N 3.48Å; Q244-K246 VanDerWaalsContact C-N 3.28Å; Q244-K246 PolarHBondContact O-N 3.42Å |
| 245 | G | 70.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -90.6 | 29.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E243 | E243-G245 VanDerWaalsContact C-N 3.35Å; E243-G245 PolarHBondContact O-N 2.95Å |
| 246 | K | 60.5 | Low | 83.4 | Confident | 172 Ų | 172 | 127.1 Ų | 127.1 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -134.1 | 3 | -174.6 | -76.1 | -164.7 | 167.6 | -157.7 | 0 | 114.4 | Q244 | Q244-K246 VanDerWaalsContact C-N 3.28Å; Q244-K246 PolarHBondContact O-N 3.42Å |
| 247 | E | 47.2 | Very low | 82.1 | Confident | 234 Ų | 234 | 127.6 Ų | 127.6 | 100% | 1.093 | 62% | 0.622 | S | S | * | * | trans | -101.7 | 0 | 165.7 | -64.6 | -176.5 | 152.2 | 0 | 0 | 108.4 |
Retrieved 247 of 247 residues in 53.5 ms
(Link to these results)