| 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 | 48.8 | Very low | 51.2 | Low | 251 Ų | 251 | 116.5 Ų | 116.5 | 100% | 1.236 | 74% | 0.74 | S | S | * | * | 0 | 65.6 | 0 | -76.1 | -157.9 | -176.5 | 0 | 0 | 110.5 | |||||
| 2 | A | 52.3 | Low | 50.4 | Low | 100 Ų | 100 | 113.6 Ų | 113.6 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -151.6 | 67 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | D | 50.7 | Low | 49.7 | Very low | 146 Ų | 146 | 110.7 Ų | 110.7 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -159.7 | 65.3 | 171.7 | -132.8 | -32.9 | 0 | 0 | 0 | 112.3 | ||||
| 4 | L | 58.5 | Low | 48.9 | Very low | 157 Ų | 157 | 108.7 Ų | 108.7 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -141.9 | 3 | 172.6 | -78.1 | 177 | 0 | 0 | 0 | 114.3 | ||
| 5 | A | 54.8 | Low | 48.1 | Very low | 97 Ų | 97 | 107.5 Ų | 107.5 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -98.1 | -8.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 6 | S | 51.4 | Low | 47.5 | Very low | 89 Ų | 89 | 106.2 Ų | 106.2 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -92.8 | -10.7 | -174.3 | -155.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 7 | S | 54.3 | Low | 47 | Very low | 85 Ų | 85 | 105.7 Ų | 105.7 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -87.7 | -13.2 | -170.3 | -36 | 0 | 0 | 0 | 0 | 114.8 | ||
| 8 | N | 51 | Low | 46.4 | Very low | 132 Ų | 132 | 105.4 Ų | 105.4 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -95.1 | -15.5 | -172.9 | -73.8 | -23 | 0 | 0 | 0 | 114.5 | ||
| 9 | S | 51.1 | Low | 45.9 | Very low | 86 Ų | 86 | 105.5 Ų | 105.5 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -86.7 | -29.7 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | A12 | S9-A12 PolarHBondContact O-N 3.31Å |
| 10 | A | 46.1 | Very low | 45.4 | Very low | 67 Ų | 67 | 105.3 Ų | 105.3 | 55% | 0.554 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -72.9 | -33.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A12 A13 | A10-A12 VanDerWaalsContact C-N 3.29Å; A10-A12 PolarHBondContact O-N 2.73Å; A10-A13 PolarHBondContact O-N 2.92Å |
| 11 | A | 44.2 | Very low | 45 | Very low | 72 Ų | 72 | 105 Ų | 105 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -70.9 | -22.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 12 | A | 42.1 | Very low | 44.7 | Very low | 81 Ų | 81 | 99.6 Ų | 99.6 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -80 | -19.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S9 A10 | S9-A12 PolarHBondContact O-N 3.31Å; A10-A12 VanDerWaalsContact C-N 3.29Å; A10-A12 PolarHBondContact O-N 2.73Å |
| 13 | A | 40.9 | Very low | 44.3 | Very low | 76 Ų | 76 | 102 Ų | 102 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -90.1 | -26.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A10 | A10-A13 PolarHBondContact O-N 2.92Å |
| 14 | A | 39 | Very low | 44 | Very low | 83 Ų | 83 | 103 Ų | 103 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -81.2 | -10.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A16 | A14-A16 VanDerWaalsContact C-N 3.28Å; A14-A16 PolarHBondContact O-N 3.45Å |
| 15 | A | 37.1 | Very low | 43.4 | Very low | 91 Ų | 91 | 99.4 Ų | 99.4 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -85.5 | 8.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 16 | A | 38.4 | Very low | 43 | Very low | 86 Ų | 86 | 103 Ų | 103 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -99.2 | 3.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A14 | A14-A16 VanDerWaalsContact C-N 3.28Å; A14-A16 PolarHBondContact O-N 3.45Å |
| 17 | A | 37.7 | Very low | 42.7 | Very low | 98 Ų | 98 | 103.3 Ų | 103.3 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -122.6 | 6.9 | -169 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 18 | A | 37.6 | Very low | 42.8 | Very low | 100 Ų | 100 | 105 Ų | 105 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -134.6 | 80.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 19 | A | 36.9 | Very low | 42.5 | Very low | 108 Ų | 108 | 106.9 Ų | 106.9 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -168.3 | 59.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 20 | A | 35.6 | Very low | 42.5 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -112.6 | 138.1 | 157 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 21 | A | 36.3 | Very low | 43.1 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | 96.2 | 142.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 22 | V | 42.2 | Very low | 43.3 | Very low | 138 Ų | 138 | 112.3 Ų | 112.3 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | 95 | 76.5 | 170.6 | -162.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 23 | V | 44.9 | Very low | 44 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -130 | 106.4 | 142.6 | 173 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 24 | L | 43.7 | Very low | 44.1 | Very low | 167 Ų | 167 | 114.3 Ų | 114.3 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -98 | 136.3 | 173.4 | -167.2 | 73.2 | 0 | 0 | 0 | 108.9 | ||||
| 25 | A | 46.8 | Very low | 44.6 | Very low | 82 Ų | 82 | 118.1 Ų | 118.1 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -71.7 | 157.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 26 | N | 45.5 | Very low | 45.3 | Very low | 173 Ų | 173 | 120 Ų | 120 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -157.8 | 115.6 | 149.3 | -109 | -36.8 | 0 | 0 | 0 | 110.6 | ||||
| 27 | A | 46.2 | Very low | 45.5 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -145.6 | 133.7 | 163 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | P | 56.3 | Low | 45.9 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -101.3 | 130.5 | 176.9 | 34.4 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 29 | N | 43.6 | Very low | 46.4 | Very low | 172 Ų | 172 | 120 Ų | 120 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | trans | 33.3 | 121.6 | 137.9 | -64.7 | -39.7 | 0 | 0 | 0 | 121.5 | ||||
| 30 | G | 51.5 | Low | 47 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -167.3 | 100.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | T | 58 | Low | 47.5 | Very low | 136 Ų | 136 | 120 Ų | 120 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -57.9 | 151.4 | 179 | 43.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 32 | P | 49.7 | Very low | 47.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -114.6 | 126.5 | 157.4 | 33.7 | -22.4 | 0 | 0 | 0 | 114.9 | ||||
| 33 | V | 56.1 | Low | 48.3 | Very low | 143 Ų | 143 | 125 Ų | 125 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -55.9 | 112.1 | 156.5 | -164 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 34 | G | 42.9 | Very low | 48.2 | Very low | 56 Ų | 56 | 122.1 Ų | 122.1 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | trans | -68 | 164.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 35 | L | 48.9 | Very low | 48.9 | Very low | 163 Ų | 163 | 120.6 Ų | 120.6 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | 175.5 | 118.9 | 130.3 | -110.1 | 97.3 | 0 | 0 | 0 | 111.5 | ||||
| 36 | V | 52.5 | Low | 49.3 | Very low | 129 Ų | 129 | 123 Ų | 123 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | 28.6 | 126.7 | 139.6 | -69.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 37 | G | 44 | Very low | 49.4 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | 87.4 | 126.6 | 111.8 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 38 | G | 45.5 | Very low | 49.9 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 152.1 | 111 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 39 | C | 48 | Very low | 49.6 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -88.3 | 165.5 | -178.5 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | S | 49.2 | Very low | 50.3 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 86.2 | 123.4 | 149.7 | -47.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 41 | G | 45.2 | Very low | 50.6 | Low | 85 Ų | 85 | 123.6 Ų | 123.6 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 148.7 | 99.8 | 153 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 42 | R | 45.3 | Very low | 49.9 | Very low | 217 Ų | 217 | 122.6 Ų | 122.6 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -126.6 | 143.5 | 158.8 | -162.8 | 177.9 | 175.4 | -116.8 | -1.7 | 106.8 | ||||
| 43 | P | 50.2 | Low | 50.2 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -147.4 | 163.6 | 119 | 30.4 | -10.5 | 0 | 0 | 0 | 115.5 | |||||
| 44 | S | 44.5 | Very low | 49.6 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | trans | -63.4 | 152.5 | 174.8 | -60.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 45 | V | 57.1 | Low | 50.1 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -150 | 137.9 | 141.6 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 46 | T | 54.6 | Low | 50.1 | Low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -24.8 | 152.9 | 165.1 | 58.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 47 | G | 48.9 | Very low | 50 | Low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | cis | 126.4 | 131.1 | 40.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 48 | N | 56.9 | Low | 50.5 | Low | 175 Ų | 175 | 133.1 Ų | 133.1 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -163.5 | 132.2 | 162.8 | -96.6 | -20.4 | 0 | 0 | 0 | 111.2 | ||||
| 49 | E | 48.4 | Very low | 50.4 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -92.5 | 143.9 | -170.8 | -52.4 | -160.7 | 108.7 | 0 | 0 | 111.1 | ||||
| 50 | V | 59.6 | Low | 50.7 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | 81.9 | 151.5 | 98.2 | 171.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 51 | P | 56.3 | Low | 51 | Low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | cis | -148.9 | -173.4 | -40.7 | 45 | -25.5 | 0 | 0 | 0 | 116.1 | ||||
| 52 | S | 44.6 | Very low | 51.3 | Low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 57.6 | 125 | 140.8 | -67.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 53 | S | 54.6 | Low | 51.6 | Low | 126 Ų | 126 | 130.5 Ų | 130.5 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -159.8 | 132.8 | 133.3 | 41.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 54 | Q | 45.2 | Very low | 51.7 | Low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 154.8 | -176.1 | -70.9 | 157.7 | -35.9 | 0 | 0 | 113.9 | ||||
| 55 | T | 53.5 | Low | 52.3 | Low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -154.6 | 128 | 137.8 | -22.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 56 | Q | 48.9 | Very low | 52.1 | Low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -75.2 | 167.4 | 170.1 | -66.3 | 170.2 | -22.5 | 0 | 0 | 108.5 | ||||
| 57 | H | 50.6 | Low | 52 | Low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | -178 | 166.9 | 64.2 | -62.4 | -85.7 | 0 | 0 | 0 | 110.2 | |||||
| 58 | D | 53.4 | Low | 52.5 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 111.1 | 120.4 | 156.7 | -136 | -49 | 0 | 0 | 0 | 117.7 | ||||
| 59 | A | 44.1 | Very low | 53.3 | Low | 88 Ų | 88 | 138.6 Ų | 138.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -141.3 | 125.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 60 | S | 54.6 | Low | 54.3 | Low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -179.9 | 141.8 | 164.8 | -101.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 61 | L | 53.8 | Low | 54.7 | Low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | cis | -160.5 | 132 | 13.8 | -100.3 | 145.4 | 0 | 0 | 0 | 106.5 | ||||
| 62 | I | 52.3 | Low | 54.5 | Low | 160 Ų | 160 | 136.9 Ų | 136.9 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | 45.6 | 116.4 | 134.4 | -53.7 | 175.8 | 0 | 0 | 0 | 119.7 | ||||
| 63 | G | 51.8 | Low | 55.1 | Low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -175.8 | 77.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V65 | G63-V65 PolarHBondContact O-N 3.36Š| ||
| 64 | K | 52.4 | Low | 54.9 | Low | 210 Ų | 210 | 137.2 Ų | 137.2 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 115.2 | 178.3 | -74 | 178.1 | 172.8 | 173.6 | 0 | 110.7 | ||||
| 65 | V | 57.6 | Low | 54.9 | Low | 139 Ų | 139 | 135.3 Ų | 135.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 120.1 | 153.2 | -177.6 | 0 | 0 | 0 | 0 | 108 | G63 | G63-V65 PolarHBondContact O-N 3.36Š| ||
| 66 | K | 53.1 | Low | 54.6 | Low | 178 Ų | 178 | 133.2 Ų | 133.2 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -85.7 | 119.3 | -179 | 169.7 | 96.1 | 174 | 175.5 | 0 | 108.3 | ||||
| 67 | C | 52.6 | Low | 54.5 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -152.3 | 135.7 | 157.6 | -83.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 68 | D | 58.9 | Low | 54.2 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 155.1 | -158 | -58 | -70.4 | 0 | 0 | 0 | 115.8 | ||
| 69 | P | 72.5 | Confident | 54.1 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 138.7 | 175.5 | 31.5 | -32.9 | 0 | 0 | 0 | 111.7 | ||
| 70 | P | 70.9 | Confident | 54.3 | Low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73 | 153.9 | 168.2 | 30.6 | -32 | 0 | 0 | 0 | 110.9 | ||
| 71 | P | 66.9 | Low | 54.2 | Low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.4 | -170.6 | 26.2 | -33.9 | 0 | 0 | 0 | 112.4 | V73 | P71-V73 PolarHBondContact O-N 2.69Å; P71-V73 VanDerWaalsContact O-N 3.16Å |
| 72 | T | 52.5 | Low | 54 | Low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -49.7 | 110.6 | 165.5 | 36.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 73 | V | 57.6 | Low | 53.7 | Low | 136 Ų | 136 | 133.3 Ų | 133.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -102 | 130.6 | 154.9 | -70.8 | 0 | 0 | 0 | 0 | 108.4 | P71 | P71-V73 PolarHBondContact O-N 2.69Å; P71-V73 VanDerWaalsContact O-N 3.16Å | ||
| 74 | S | 49.5 | Very low | 52.8 | Low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -49.3 | 133.3 | -171 | -44.7 | 0 | 0 | 0 | 0 | 113.3 | T76 | S74-T76 PolarHBondContact O-N 2.87Š| ||
| 75 | V | 44.7 | Very low | 52.2 | Low | 143 Ų | 143 | 139.4 Ų | 139.4 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -68 | 95.4 | 172.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | S77 | V75-S77 PolarHBondContact O-N 3.37Š| ||
| 76 | T | 47.2 | Very low | 51.1 | Low | 95 Ų | 95 | 138.7 Ų | 138.7 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | trans | -79.8 | 106.4 | 160.5 | -36.9 | 0 | 0 | 0 | 0 | 106.9 | S74 Y78 | S74-T76 PolarHBondContact O-N 2.87Å; T76-Y78 VanDerWaalsContact C-N 3.35Å; T76-Y78 VanDerWaalsContact O-CD2 3.3Å; T76-Y78 WeakPolarHBondContact O-CD2 3.35Å; T76-Y78 PolarHBondContact O-N 2.98Å | ||
| 77 | S | 47.1 | Very low | 50.6 | Low | 86 Ų | 86 | 137.3 Ų | 137.3 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | trans | -59.6 | 93.8 | 172.3 | 161.8 | 0 | 0 | 0 | 0 | 109.6 | V75 H79 | V75-S77 PolarHBondContact O-N 3.37Å; S77-H79 PolarHBondContact O-N 2.88Å | ||
| 78 | Y | 45.2 | Very low | 49.8 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 74% | 0.737 | 74% | 0.738 | S | S | * | * | trans | -75.1 | 84.3 | 164.5 | -65.2 | -75.6 | 0 | 0 | 0 | 108.5 | T76 H80 | T76-Y78 VanDerWaalsContact C-N 3.35Å; T76-Y78 VanDerWaalsContact O-CD2 3.3Å; T76-Y78 WeakPolarHBondContact O-CD2 3.35Å; T76-Y78 PolarHBondContact O-N 2.98Å; Y78-H80 VanDerWaalsContact C-N 3.26Å; Y78-H80 PolarHBondContact O-N 3.12Å | ||
| 79 | H | 50.8 | Low | 49.2 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | -58.4 | 98.8 | 150.8 | -101.1 | 61.3 | 0 | 0 | 0 | 106.4 | S77 H81 | S77-H79 PolarHBondContact O-N 2.88Å; H79-H81 PolarHBondContact O-CE1 2.83Å; H79-H81 PolarHBondContact O-N 2.96Å; H79-H81 PolarHBondContact O-ND1 3.48Å | ||
| 80 | H | 49.1 | Very low | 47.6 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 80.6 | 164.3 | -100.1 | 79.6 | 0 | 0 | 0 | 107.6 | Y78 N82 | Y78-H80 VanDerWaalsContact C-N 3.26Å; Y78-H80 PolarHBondContact O-N 3.12Å; H80-N82 PolarHBondContact O-N 3.04Å | ||
| 81 | H | 52.5 | Low | 46.5 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.676 | 74% | 0.737 | S | S | * | * | trans | -75.9 | 107.3 | 162.2 | 47.3 | -69 | 0 | 0 | 0 | 105.5 | H79 P83 | H79-H81 PolarHBondContact O-CE1 2.83Å; H79-H81 PolarHBondContact O-N 2.96Å; H79-H81 PolarHBondContact O-ND1 3.48Å; H81-P83 WeakPolarHBondContact O-CD 3.38Å; H81-P83 WeakPolarHBondContact O-CG 2.98Å | ||
| 82 | N | 47.8 | Very low | 45.1 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -70.1 | 100.9 | 174.4 | -171.1 | 13.5 | 0 | 0 | 0 | 108.2 | H80 | H80-N82 PolarHBondContact O-N 3.04Š| ||
| 83 | P | 46.1 | Very low | 44.8 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | trans | -90 | 131.3 | -179.6 | 8.6 | 14.7 | 0 | 0 | 0 | 107.3 | H81 | H81-P83 WeakPolarHBondContact O-CD 3.38Å; H81-P83 WeakPolarHBondContact O-CG 2.98Å | ||
| 84 | Y | 33.6 | Very low | 43.9 | Very low | 184 Ų | 184 | 138 Ų | 138 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | 71.5 | 76.4 | 157.6 | -74.6 | -100.4 | 0 | 0 | 0 | 117.9 | N86 | Y84-N86 WeakPolarHBondContact CD1-O 3.4Š| ||
| 85 | Y | 40 | Very low | 43.8 | Very low | 228 Ų | 228 | 139.4 Ų | 139.4 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | S | Bend | -102.1 | 71.4 | 127.5 | -82.5 | -78.6 | 0 | 0 | 0 | 108.5 | |||
| 86 | N | 35.2 | Very low | 43.8 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | trans | -156.2 | 88.1 | 162.1 | -147.6 | -71.6 | 0 | 0 | 0 | 108.2 | Y84 | Y84-N86 WeakPolarHBondContact CD1-O 3.4Š| ||
| 87 | L | 41.5 | Very low | 43.6 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -146 | 69.8 | 161.6 | -149.9 | 72.8 | 0 | 0 | 0 | 108.4 | D89 | L87-D89 PolarHBondContact O-N 3.42Š| ||
| 88 | S | 35.8 | Very low | 43.8 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | -63.7 | 104 | 144.8 | -65.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 89 | D | 46.8 | Very low | 43.7 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -172.9 | 116.8 | 148 | -98.3 | -37 | 0 | 0 | 0 | 111.6 | L87 | L87-D89 PolarHBondContact O-N 3.42Š| ||
| 90 | Q | 39.8 | Very low | 43.7 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | 61.1 | 92.3 | 136.9 | -50.8 | -69 | 10.7 | 0 | 0 | 119.4 | ||||
| 91 | V | 46.5 | Very low | 43 | Very low | 136 Ų | 136 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -134.6 | 92.2 | 138.1 | -164.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 92 | S | 37.3 | Very low | 42.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -78.9 | 123.3 | 167.8 | -83.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 93 | L | 46.5 | Very low | 42.5 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -127.7 | 114.2 | 159.9 | -72.6 | 175.6 | 0 | 0 | 0 | 108.9 | ||||
| 94 | S | 38.7 | Very low | 42.4 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 131.4 | -178.8 | 50.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 95 | V | 48.5 | Very low | 42.9 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -142.8 | 122.5 | 151.8 | 161.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 96 | S | 44.4 | Very low | 42.8 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 127.8 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 97 | Q | 42.5 | Very low | 43.6 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 120.5 | 165.4 | -73.5 | -178.6 | 27.3 | 0 | 0 | 110.3 | ||
| 98 | R | 51.6 | Low | 44 | Very low | 243 Ų | 243 | 132.8 Ų | 132.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 128.7 | 158.1 | -67.5 | -177.5 | -175.3 | -175.6 | 1.5 | 107.7 | ||
| 99 | N | 42.1 | Very low | 44.5 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 144.8 | -179 | -161.4 | 14.3 | 0 | 0 | 0 | 110.2 | ||
| 100 | P | 50.8 | Low | 44.5 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -124 | 106.3 | 152.5 | 32.3 | -17.3 | 0 | 0 | 0 | 110.5 | ||||
| 101 | A | 34.8 | Very low | 44.8 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -73.4 | 146.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 102 | A | 42.8 | Very low | 45.1 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | 102.4 | 99.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 103 | A | 46.6 | Very low | 45.6 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | -176.7 | 98.4 | 129.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 104 | I | 44.6 | Very low | 45.7 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 92% | 0.923 | 82% | 0.824 | S | S | * | * | trans | -65.3 | 123.8 | 160.8 | -66.8 | 172.5 | 0 | 0 | 0 | 106.6 | ||||
| 105 | G | 43.6 | Very low | 46.6 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -151.3 | 87.9 | 180 | 0 | 0 | 0 | 0 | 0 | 110.2 | N107 | G105-N107 PolarHBondContact O-N 3.38Š| ||
| 106 | D | 39.3 | Very low | 46.3 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | -52.6 | 122.3 | 165.6 | 180 | 14.3 | 0 | 0 | 0 | 110.5 | ||||
| 107 | N | 51 | Low | 46.7 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -146.5 | 76.2 | 168 | -165.5 | 8.1 | 0 | 0 | 0 | 109.8 | G105 E109 | G105-N107 PolarHBondContact O-N 3.38Å; N107-E109 PolarHBondContact O-N 2.96Å | ||
| 108 | S | 50.7 | Low | 46.7 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | -83.1 | 63.8 | 171.8 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 109 | E | 45.8 | Very low | 46.7 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -158.9 | 89.6 | 170.2 | -119.9 | 162.2 | 144.5 | 0 | 0 | 113.1 | N107 | N107-E109 PolarHBondContact O-N 2.96Š| ||
| 110 | G | 47 | Very low | 46.6 | Very low | 76 Ų | 76 | 142.6 Ų | 142.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -140 | 77.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 111 | A | 46.1 | Very low | 46.7 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 49.3 | 68.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 112 | F | 52.5 | Low | 46.9 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -144.9 | 55.3 | 154.7 | 142.4 | -98 | 0 | 0 | 0 | 110.1 | ||||
| 113 | K | 48.4 | Very low | 47.2 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -143.1 | 79.9 | 171.5 | -68 | -171 | -179.9 | 178.2 | 0 | 110.1 | ||||
| 114 | K | 48.1 | Very low | 47 | Very low | 195 Ų | 195 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -159.8 | 120.9 | 171.1 | -122.3 | -166.7 | 171.5 | -175.6 | 0 | 103.7 | ||||
| 115 | I | 56.6 | Low | 47.2 | Very low | 133 Ų | 133 | 143 Ų | 143 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -153 | 107.3 | 17.1 | -67.6 | 163.8 | 0 | 0 | 0 | 103.3 | S117 | I115-S117 WeakPolarHBondContact CG2-OG 3.3Š| ||
| 116 | K | 43.5 | Very low | 47.4 | Very low | 215 Ų | 215 | 146.5 Ų | 146.5 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | -124.1 | 65.6 | 163.8 | -167.6 | 158.6 | -178.6 | 167.5 | 0 | 106.1 | ||||
| 117 | S | 52 | Low | 47.5 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -94.6 | 124 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 108 | I115 | I115-S117 WeakPolarHBondContact CG2-OG 3.3Š| ||
| 118 | D | 43.2 | Very low | 47.2 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -45.6 | 128.5 | -178.8 | -52.6 | -80.6 | 0 | 0 | 0 | 113.2 | ||||
| 119 | R | 50.8 | Low | 47 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -134 | 60.1 | 158.8 | -141.6 | -171.3 | -152 | -156.9 | 8 | 109.3 | S121 | R119-S121 VanDerWaalsContact C-N 3.26Å; R119-S121 PolarHBondContact O-N 3.03Å; R119-S121 VanDerWaalsContact O-N 3.17Å | ||
| 120 | N | 39.8 | Very low | 47.4 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -79.7 | 80.3 | 164.3 | -169 | 60.4 | 0 | 0 | 0 | 107.8 | ||||
| 121 | S | 52.7 | Low | 48.2 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 52% | 0.517 | 81% | 0.807 | S | S | . | * | trans | -115.2 | 96.7 | 174.4 | -47.3 | 0 | 0 | 0 | 0 | 108 | R119 A123 | R119-S121 VanDerWaalsContact C-N 3.26Å; R119-S121 PolarHBondContact O-N 3.03Å; R119-S121 VanDerWaalsContact O-N 3.17Å; S121-A123 PolarHBondContact O-N 3.42Å | ||
| 122 | Y | 40.8 | Very low | 49 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -23.5 | 110.5 | 155.3 | 47.7 | -82.6 | 0 | 0 | 0 | 112.8 | ||||
| 123 | A | 48.3 | Very low | 49.7 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -149.6 | 101.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | S121 | S121-A123 PolarHBondContact O-N 3.42Š| ||
| 124 | S | 42.8 | Very low | 50.6 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 128.1 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 125 | S | 49.1 | Very low | 51.7 | Low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | 160.8 | 120.9 | 130.9 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 126 | T | 46.8 | Very low | 52.2 | Low | 143 Ų | 143 | 128.3 Ų | 128.3 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 52.5 | 113.7 | 142.3 | 59.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 127 | G | 41.2 | Very low | 53.6 | Low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 137.1 | 114.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 128 | A | 45.7 | Very low | 55 | Low | 97 Ų | 97 | 135.3 Ų | 135.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 61.4 | 102.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | S130 | A128-S130 PolarHBondContact O-N 3.47Å; A128-S130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | A | 45.5 | Very low | 56.8 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 95% | 0.95 | 80% | 0.799 | S | S | * | * | trans | -52.4 | 108.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 130 | S | 54 | Low | 58.5 | Low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -137.1 | 117.5 | 159.8 | 58.8 | 0 | 0 | 0 | 0 | 109 | A128 | A128-S130 PolarHBondContact O-N 3.47Å; A128-S130 VanDerWaalsContact O-N 3.09Å | ||
| 131 | V | 63.9 | Low | 60.9 | Low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -55.4 | 132.4 | -176.2 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 132 | P | 63.2 | Low | 62.9 | Low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -61.6 | 136.3 | 175 | 25.2 | -32.3 | 0 | 0 | 0 | 109.5 | T134 | P132-T134 PolarHBondContact O-N 2.97Š| ||
| 133 | P | 67.5 | Low | 65.5 | Low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -62.7 | 110.2 | -178.5 | 25.5 | -32.5 | 0 | 0 | 0 | 108.8 | ||||
| 134 | T | 68.1 | Low | 67.8 | Low | 119 Ų | 119 | 132.2 Ų | 132.2 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -55.4 | 131.9 | 173.2 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | P132 A136 | P132-T134 PolarHBondContact O-N 2.97Å; T134-A136 PolarHBondContact O-N 3.44Å | ||
| 135 | P | 71 | Confident | 70.4 | Confident | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -52.4 | 114.6 | 175.6 | -22.4 | 30.7 | 0 | 0 | 0 | 108.9 | R137 | P135-R137 PolarHBondContact O-N 3.38Å; P135-R137 VanDerWaalsContact O-N 3.07Å | ||
| 136 | A | 66.6 | Low | 72.8 | Confident | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | trans | -49.1 | 119.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T134 R138 | T134-A136 PolarHBondContact O-N 3.44Å; A136-R138 PolarHBondContact O-N 3.41Å | ||
| 137 | R | 73.5 | Confident | 75.2 | Confident | 228 Ų | 228 | 131.6 Ų | 131.6 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -62 | 99.2 | -175.3 | -170.3 | 179.1 | -85.9 | -113.9 | 3.3 | 109 | P135 R139 | P135-R137 PolarHBondContact O-N 3.38Å; P135-R137 VanDerWaalsContact O-N 3.07Å; R137-R139 PolarHBondContact O-N 3Å | ||
| 138 | R | 80 | Confident | 77.9 | Confident | 226 Ų | 226 | 129.4 Ų | 129.4 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.4 | -179.6 | -149.2 | 175.6 | 80.5 | -170.6 | 3.8 | 108.8 | A136 | A136-R138 PolarHBondContact O-N 3.41Š|
| 139 | R | 81.1 | Confident | 80.5 | Confident | 235 Ų | 235 | 126.8 Ų | 126.8 | 89% | 0.887 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 141.6 | -178.5 | -71.7 | -179.5 | 179 | -178.4 | -1.2 | 110.8 | R137 R141 | R137-R139 PolarHBondContact O-N 3Å; R139-R141 PolarHBondContact O-N 2.85Å |
| 140 | H | 87.7 | Confident | 83 | Confident | 168 Ų | 168 | 126.6 Ų | 126.6 | 78% | 0.778 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 124.9 | 175.5 | -64.3 | -78 | 0 | 0 | 0 | 110.4 | ||
| 141 | R | 90.5 | Very high | 85.1 | Confident | 225 Ų | 225 | 125.7 Ų | 125.7 | 85% | 0.849 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 134.8 | 177.3 | -177.6 | 175.8 | -177.7 | 177.6 | 0.8 | 109.3 | R139 | R139-R141 PolarHBondContact O-N 2.85Š|
| 142 | T | 93 | Very high | 86.7 | Confident | 45 Ų | 45 | 119.4 Ų | 119.4 | 28% | 0.276 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -78.5 | 133.5 | 174.5 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | F144 L176 R180 | T142-F144 HydrophobicContact CG2-CD1 4.46Å; T142-F144 HydrophobicContact CG2-CE1 4.09Å; T142-F144 HydrophobicContact CG2-CZ 4.31Å; T142-L176 HydrophobicContact CG2-CD2 4.11Å; T142-R180 WeakPolarHBondContact OG1-CD 3.42Å; T142-R180 PolarHBondContact OG1-NH1 2.86Å |
| 143 | T | 95.9 | Very high | 88.4 | Confident | 123 Ų | 123 | 119.1 Ų | 119.1 | 76% | 0.755 | 58% | 0.581 | S | S | * | * | trans | -108.6 | 130.2 | 168.7 | 50.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 144 | F | 96.8 | Very high | 89.9 | Confident | 67 Ų | 67 | 115.7 Ų | 115.7 | 29% | 0.294 | 56% | 0.563 | S | S | . | * | trans | -93.7 | 141 | 179.5 | -55 | -79.1 | 0 | 0 | 0 | 109.9 | T142 Q148 L149 L152 L176 W184 | T142-F144 HydrophobicContact CG2-CD1 4.46Å; T142-F144 HydrophobicContact CG2-CE1 4.09Å; T142-F144 HydrophobicContact CG2-CZ 4.31Å; F144-Q148 VanDerWaalsContact CA-OE1 3.28Å; F144-L149 HydrophobicContact CB-CD1 4.49Å; F144-L149 HydrophobicContact CB-CD2 3.78Å; F144-L149 HydrophobicContact CB-CG 3.9Å; F144-L149 HydrophobicContact CD2-CD2 4.33Å; F144-L149 HydrophobicContact CG-CD2 4.15Å; F144-L152 HydrophobicContact CD1-CD1 4.48Å; F144-L176 HydrophobicContact CD1-CD1 3.61Å; F144-L176 HydrophobicContact CD1-CD2 4.36Å; F144-L176 HydrophobicContact CE1-CD1 3.69Å; F144-L176 HydrophobicContact CE1-CD2 4.4Å; F144-W184 AromaticContact CE2-CD1 3.7Å; F144-W184 HydrophobicContact CZ-CB 4.26Å; F144-W184 AromaticContact CZ-CD1 3.76Å; F144-W184 HydrophobicContact CZ-CG 4.4Å | ||
| 145 | T | 98.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 110.8 Ų | 110.8 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | trans | -75.5 | 163.9 | 168.6 | 69.8 | 0 | 0 | 0 | 0 | 110.3 | E147 Q148 L149 | T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 PolarHBondContact O-N 3.35Å; T145-Q148 PolarHBondContact O-N 3.16Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.49Å; T145-Q148 PolarHBondContact OG1-N 2.64Å; T145-L149 WeakPolarHBondContact O-CG 3.41Å; T145-L149 PolarHBondContact O-N 3.34Å; T145-L149 VanDerWaalsContact O-N 3.11Å | ||
| 146 | Q | 98.2 | Very high | 92.7 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 178.3 | -175.1 | 58.8 | 29.6 | 0 | 0 | 112.3 | Q148 L149 Q150 | Q146-Q148 PolarHBondContact O-N 3.47Å; Q146-L149 WeakPolarHBondContact O-CB 3.39Å; Q146-L149 PolarHBondContact O-N 3.1Å; Q146-L149 VanDerWaalsContact O-N 3.17Å; Q146-Q150 WeakPolarHBondContact O-CG 3.39Å; Q146-Q150 PolarHBondContact O-N 3.16Å |
| 147 | E | 98.1 | Very high | 94.2 | Very high | 143 Ų | 143 | 104 Ų | 104 | 67% | 0.668 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.2 | -44.9 | 176 | -176.6 | -172.8 | 177.8 | 0 | 0 | 111.6 | T145 L149 Q150 E151 | T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 PolarHBondContact O-N 3.35Å; E147-L149 VanDerWaalsContact C-N 3.29Å; E147-L149 PolarHBondContact O-N 3.41Å; E147-Q150 WeakPolarHBondContact O-CB 3.35Å; E147-Q150 PolarHBondContact O-N 3.37Å; E147-E151 PolarHBondContact O-N 3.27Å; E147-E151 VanDerWaalsContact O-N 3.16Å |
| 148 | Q | 98.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 102 Ų | 102 | 14% | 0.14 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.6 | -71.4 | 170.3 | -19.2 | 0 | 0 | 111.7 | F144 T145 Q146 L152 T174 L176 | F144-Q148 VanDerWaalsContact CA-OE1 3.28Å; T145-Q148 PolarHBondContact O-N 3.16Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.49Å; T145-Q148 PolarHBondContact OG1-N 2.64Å; Q146-Q148 PolarHBondContact O-N 3.47Å; Q148-L152 WeakPolarHBondContact O-CB 3.21Å; Q148-L152 WeakPolarHBondContact O-CD1 3.36Å; Q148-L152 WeakPolarHBondContact O-CG 3.31Å; Q148-L152 PolarHBondContact O-N 3.48Å; Q148-L152 VanDerWaalsContact O-N 3.1Å; Q148-T174 PolarHBondContact NE2-O 2.84Å; Q148-L176 HydrophobicContact CG-CD1 4.43Å |
| 149 | L | 98.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 93.8 Ų | 93.8 | 22% | 0.22 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 177.5 | -67.6 | 174.6 | 0 | 0 | 0 | 111.9 | F144 T145 Q146 E147 L152 E153 | F144-L149 HydrophobicContact CB-CD1 4.49Å; F144-L149 HydrophobicContact CB-CD2 3.78Å; F144-L149 HydrophobicContact CB-CG 3.9Å; F144-L149 HydrophobicContact CD2-CD2 4.33Å; F144-L149 HydrophobicContact CG-CD2 4.15Å; T145-L149 WeakPolarHBondContact O-CG 3.41Å; T145-L149 PolarHBondContact O-N 3.34Å; T145-L149 VanDerWaalsContact O-N 3.11Å; Q146-L149 WeakPolarHBondContact O-CB 3.39Å; Q146-L149 PolarHBondContact O-N 3.1Å; Q146-L149 VanDerWaalsContact O-N 3.17Å; E147-L149 VanDerWaalsContact C-N 3.29Å; E147-L149 PolarHBondContact O-N 3.41Å; L149-L152 PolarHBondContact O-N 3.18Å; L149-E153 WeakPolarHBondContact O-CB 3.47Å; L149-E153 VanDerWaalsContact O-CG 3.31Å; L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 3.36Å |
| 150 | Q | 98.4 | Very high | 97 | Very high | 112 Ų | 112 | 85.6 Ų | 85.6 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 176.8 | -73.1 | 170.8 | -22.6 | 0 | 0 | 111.6 | Q146 E147 L152 E153 A154 | Q146-Q150 WeakPolarHBondContact O-CG 3.39Å; Q146-Q150 PolarHBondContact O-N 3.16Å; E147-Q150 WeakPolarHBondContact O-CB 3.35Å; E147-Q150 PolarHBondContact O-N 3.37Å; Q150-L152 PolarHBondContact O-N 2.97Å; Q150-E153 PolarHBondContact O-N 2.85Å; Q150-A154 VanDerWaalsContact O-CB 3.31Å; Q150-A154 WeakPolarHBondContact O-CB 3.31Å; Q150-A154 PolarHBondContact O-N 2.82Å |
| 151 | E | 98.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 85.1 Ų | 85.1 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.8 | -71.1 | -60.2 | 153.9 | 0 | 0 | 112.2 | E147 A154 A155 V173 T174 | E147-E151 PolarHBondContact O-N 3.27Å; E147-E151 VanDerWaalsContact O-N 3.16Å; E151-A154 PolarHBondContact O-N 3.35Å; E151-A155 WeakPolarHBondContact O-CB 3.49Å; E151-A155 PolarHBondContact O-N 3.48Å; E151-V173 HydrophobicContact CG-CG1 4.33Å; E151-T174 HydrophobicContact CB-CG2 4.02Å |
| 152 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | 179.2 | -67.3 | 171.1 | 0 | 0 | 0 | 112.5 | F144 Q148 L149 Q150 F156 L170 T174 I181 W184 F185 | F144-L152 HydrophobicContact CD1-CD1 4.48Å; Q148-L152 WeakPolarHBondContact O-CB 3.21Å; Q148-L152 WeakPolarHBondContact O-CD1 3.36Å; Q148-L152 WeakPolarHBondContact O-CG 3.31Å; Q148-L152 PolarHBondContact O-N 3.48Å; Q148-L152 VanDerWaalsContact O-N 3.1Å; L149-L152 PolarHBondContact O-N 3.18Å; Q150-L152 PolarHBondContact O-N 2.97Å; L152-F156 WeakPolarHBondContact O-CB 3.46Å; L152-F156 PolarHBondContact O-N 2.99Å; L152-L170 HydrophobicContact CD2-CD1 4.39Å; L152-T174 HydrophobicContact CD2-CG2 4.47Å; L152-T174 HydrophobicContact CG-CG2 4.39Å; L152-I181 HydrophobicContact CD1-CD1 4.33Å; L152-I181 HydrophobicContact CD2-CD1 3.67Å; L152-I181 HydrophobicContact CD2-CG2 4.16Å; L152-W184 HydrophobicContact CB-CD2 4.11Å; L152-W184 HydrophobicContact CB-CE3 4.04Å; L152-W184 HydrophobicContact CB-CH2 3.59Å; L152-W184 HydrophobicContact CB-CZ2 3.62Å; L152-W184 HydrophobicContact CB-CZ3 3.8Å; L152-W184 HydrophobicContact CD1-CD2 3.92Å; L152-W184 HydrophobicContact CD1-CE3 4.47Å; L152-W184 HydrophobicContact CD1-CG 3.99Å; L152-W184 HydrophobicContact CD1-CZ2 4.5Å; L152-W184 HydrophobicContact CG-CD2 4.47Å; L152-W184 WeakPolarHBondContact O-CH2 3.35Å; L152-F185 HydrophobicContact CD2-CE2 4.2Å |
| 153 | E | 98.6 | Very high | 98.1 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 175.2 | -73.4 | -173.3 | 174.9 | 0 | 0 | 112.1 | L149 Q150 A155 F156 G157 W184 | L149-E153 WeakPolarHBondContact O-CB 3.47Å; L149-E153 VanDerWaalsContact O-CG 3.31Å; L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 3.36Å; Q150-E153 PolarHBondContact O-N 2.85Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.47Å; E153-F156 WeakPolarHBondContact O-CB 3.41Å; E153-F156 PolarHBondContact O-N 3.16Å; E153-G157 PolarHBondContact O-N 3.03Å; E153-W184 HydrophobicContact CG-CH2 4.09Å; E153-W184 HydrophobicContact CG-CZ2 4.04Å |
| 154 | A | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 74.4 Ų | 74.4 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q150 E151 G157 K158 | Q150-A154 VanDerWaalsContact O-CB 3.31Å; Q150-A154 WeakPolarHBondContact O-CB 3.31Å; Q150-A154 PolarHBondContact O-N 2.82Å; E151-A154 PolarHBondContact O-N 3.35Å; A154-G157 PolarHBondContact O-N 3.17Å; A154-K158 PolarHBondContact O-N 3.11Å |
| 155 | A | 98.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 79.1 Ų | 79.1 | 13% | 0.132 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E151 E153 G157 K158 S159 L170 F185 | E151-A155 WeakPolarHBondContact O-CB 3.49Å; E151-A155 PolarHBondContact O-N 3.48Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.47Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.42Å; A155-K158 WeakPolarHBondContact O-CB 3.4Å; A155-K158 PolarHBondContact O-N 3.32Å; A155-S159 PolarHBondContact O-N 2.89Å; A155-L170 HydrophobicContact CB-CD1 3.76Å; A155-L170 HydrophobicContact CB-CD2 3.9Å; A155-L170 HydrophobicContact CB-CG 4.42Å; A155-F185 HydrophobicContact CB-CZ 4.21Å |
| 156 | F | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 79.1 Ų | 79.1 | 5% | 0.053 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 174.7 | -171.5 | -94.8 | 0 | 0 | 0 | 111.7 | L152 E153 K158 S159 H160 W184 F185 R188 R189 Y192 | L152-F156 WeakPolarHBondContact O-CB 3.46Å; L152-F156 PolarHBondContact O-N 2.99Å; E153-F156 WeakPolarHBondContact O-CB 3.41Å; E153-F156 PolarHBondContact O-N 3.16Å; F156-K158 PolarHBondContact O-N 3.27Å; F156-S159 CarbonylContact O-C 3.59Å; F156-S159 PolarHBondContact O-N 3.48Å; F156-H160 AromaticContact CD1-CD2 3.51Å; F156-H160 AromaticContact CD1-NE2 3.75Å; F156-H160 AromaticContact CD2-CD2 3.9Å; F156-H160 AromaticContact CE1-CD2 3.15Å; F156-H160 WeakPolarHBondContact CE1-CD2 3.46Å; F156-H160 AromaticContact CE1-NE2 3.2Å; F156-H160 WeakPolarHBondContact CE1-NE2 3.38Å; F156-H160 HydrophobicContact CE2-CB 4.04Å; F156-H160 AromaticContact CE2-CD2 3.57Å; F156-H160 AromaticContact CE2-CG 3.98Å; F156-H160 AromaticContact CG-CD2 3.88Å; F156-H160 HydrophobicContact CZ-CB 4.25Å; F156-H160 AromaticContact CZ-CD2 3.18Å; F156-H160 WeakPolarHBondContact CZ-CD2 3.38Å; F156-H160 AromaticContact CZ-CG 3.72Å; F156-H160 AromaticContact CZ-NE2 3.59Å; F156-H160 PolarHBondContact O-CD2 3.38Å; F156-W184 HydrophobicContact CB-CH2 4.3Å; F156-W184 HydrophobicContact CB-CZ3 4.3Å; F156-W184 HydrophobicContact CD2-CZ3 4.37Å; F156-F185 HydrophobicContact CB-CE1 4.15Å; F156-F185 AromaticContact CD2-CD1 3.88Å; F156-F185 HydrophobicContact CD2-CD1 3.88Å; F156-F185 AromaticContact CD2-CE1 3.84Å; F156-F185 HydrophobicContact CD2-CE1 3.84Å; F156-F185 HydrophobicContact CG-CE1 4.5Å; F156-R188 HydrophobicContact CD1-CG 4.17Å; F156-R188 HydrophobicContact CD2-CB 4.19Å; F156-R188 HydrophobicContact CD2-CG 3.55Å; F156-R188 HydrophobicContact CE1-CG 4.08Å; F156-R188 HydrophobicContact CE2-CB 4Å; F156-R188 HydrophobicContact CE2-CG 3.46Å; F156-R188 VanDerWaalsContact CE2-CG 3.46Å; F156-R188 HydrophobicContact CG-CG 3.93Å; F156-R188 HydrophobicContact CZ-CG 3.74Å; F156-R189 HydrophobicContact CE2-CG 3.99Å; F156-Y192 HydrophobicContact CE1-CD2 4.2Å; F156-Y192 HydrophobicContact CZ-CD2 4.37Å; F156-Y192 HydrophobicContact CZ-CG 4.31Å |
| 157 | G | 98.1 | Very high | 98.3 | Very high | 67 Ų | 67 | 75.5 Ų | 75.5 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.3 | -26.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E153 A154 A155 | E153-G157 PolarHBondContact O-N 3.03Å; A154-G157 PolarHBondContact O-N 3.17Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.42Å |
| 158 | K | 97.9 | Very high | 98.3 | Very high | 188 Ų | 188 | 73.6 Ų | 73.6 | 82% | 0.817 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -81.5 | -44.7 | 174.5 | -62 | 174.1 | -175.6 | 175.6 | 0 | 112 | A154 A155 F156 | A154-K158 PolarHBondContact O-N 3.11Å; A155-K158 WeakPolarHBondContact O-CB 3.4Å; A155-K158 PolarHBondContact O-N 3.32Å; F156-K158 PolarHBondContact O-N 3.27Å |
| 159 | S | 98 | Very high | 98.3 | Very high | 52 Ų | 52 | 76.5 Ų | 76.5 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -155.1 | 131.6 | 176 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | A155 F156 Y161 | A155-S159 PolarHBondContact O-N 2.89Å; F156-S159 CarbonylContact O-C 3.59Å; F156-S159 PolarHBondContact O-N 3.48Å; S159-Y161 PolarHBondContact O-N 3.32Å; S159-Y161 PolarHBondContact OG-N 3.37Å; S159-Y161 VanDerWaalsContact OG-N 3.14Å; S159-Y161 PolarHBondContact OG-O 3.06Å | ||
| 160 | H | 98.1 | Very high | 98.3 | Very high | 63 Ų | 63 | 75.2 Ų | 75.2 | 29% | 0.292 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -72.7 | -17.5 | 173.1 | -60.2 | 159.2 | 0 | 0 | 0 | 113.3 | F156 R189 Y192 | F156-H160 AromaticContact CD1-CD2 3.51Å; F156-H160 AromaticContact CD1-NE2 3.75Å; F156-H160 AromaticContact CD2-CD2 3.9Å; F156-H160 AromaticContact CE1-CD2 3.15Å; F156-H160 WeakPolarHBondContact CE1-CD2 3.46Å; F156-H160 AromaticContact CE1-NE2 3.2Å; F156-H160 WeakPolarHBondContact CE1-NE2 3.38Å; F156-H160 HydrophobicContact CE2-CB 4.04Å; F156-H160 AromaticContact CE2-CD2 3.57Å; F156-H160 AromaticContact CE2-CG 3.98Å; F156-H160 AromaticContact CG-CD2 3.88Å; F156-H160 HydrophobicContact CZ-CB 4.25Å; F156-H160 AromaticContact CZ-CD2 3.18Å; F156-H160 WeakPolarHBondContact CZ-CD2 3.38Å; F156-H160 AromaticContact CZ-CG 3.72Å; F156-H160 AromaticContact CZ-NE2 3.59Å; F156-H160 PolarHBondContact O-CD2 3.38Å; H160-R189 HydrophobicContact CB-CG 4.42Å; H160-R189 WeakPolarHBondContact O-CD 3.4Å; H160-R189 PolarHBondContact O-NH1 3.01Å; H160-Y192 AromaticContact CE1-CE2 3.96Å; H160-Y192 AromaticContact CE1-CZ 3.85Å |
| 161 | Y | 98.5 | Very high | 98.3 | Very high | 158 Ų | 158 | 70.6 Ų | 70.6 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -127.5 | 73.2 | -177.8 | -64 | -85.9 | 0 | 0 | 0 | 109.9 | S159 R189 | S159-Y161 PolarHBondContact O-N 3.32Å; S159-Y161 PolarHBondContact OG-N 3.37Å; S159-Y161 VanDerWaalsContact OG-N 3.14Å; S159-Y161 PolarHBondContact OG-O 3.06Å; Y161-R189 VanDerWaalsContact CE1-NE 3.28Å |
| 162 | P | 97.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | trans | -67.4 | 137.4 | 177.6 | 29.4 | -36.9 | 0 | 0 | 0 | 111 | V166 R167 F185 | P162-V166 HydrophobicContact CB-CB 4.01Å; P162-V166 HydrophobicContact CB-CG1 3.8Å; P162-R167 HydrophobicContact CB-CG 3.95Å; P162-R167 HydrophobicContact CG-CG 3.73Å; P162-R167 PolarHBondContact O-NH1 3.4Å; P162-F185 VanDerWaalsContact CD-CD1 3.48Å; P162-F185 HydrophobicContact CG-CD1 3.7Å; P162-F185 HydrophobicContact CG-CD2 4Å; P162-F185 HydrophobicContact CG-CE1 3.57Å; P162-F185 HydrophobicContact CG-CE2 3.9Å; P162-F185 HydrophobicContact CG-CG 3.92Å; P162-F185 HydrophobicContact CG-CZ 3.7Å | ||
| 163 | D | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 76.4 Ų | 76.4 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | trans | -69 | 167.3 | 173.1 | -169 | 21.1 | 0 | 0 | 0 | 111.7 | Y165 V166 R167 | D163-Y165 VanDerWaalsContact C-N 3.32Å; D163-Y165 PolarHBondContact O-N 2.93Å; D163-V166 PolarHBondContact O-N 3.16Å; D163-V166 VanDerWaalsContact O-N 3.16Å; D163-R167 WeakPolarHBondContact O-CG 3.32Å; D163-R167 PolarHBondContact O-N 2.94Å | ||
| 164 | I | 98.2 | Very high | 98.3 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -52.5 | -46.9 | -177.8 | -172.2 | 58.9 | 0 | 0 | 0 | 112.1 | V166 R167 E168 E178 | I164-V166 VanDerWaalsContact C-N 3.35Å; I164-V166 PolarHBondContact O-N 2.89Å; I164-R167 PolarHBondContact O-N 3.19Å; I164-R167 VanDerWaalsContact O-N 3.12Å; I164-E168 HydrophobicContact CD1-CG 4.39Å; I164-E168 HydrophobicContact CG1-CG 4.48Å; I164-E168 WeakPolarHBondContact O-CG 3.29Å; I164-E168 PolarHBondContact O-N 3.22Å; I164-E178 HydrophobicContact CD1-CG 4.28Å |
| 165 | Y | 98.2 | Very high | 98.3 | Very high | 167 Ų | 167 | 77.1 Ų | 77.1 | 66% | 0.655 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | -179.3 | -58.7 | -66.9 | 0 | 0 | 0 | 112.8 | D163 R167 E168 E169 | D163-Y165 VanDerWaalsContact C-N 3.32Å; D163-Y165 PolarHBondContact O-N 2.93Å; Y165-R167 VanDerWaalsContact C-N 3.33Å; Y165-E168 PolarHBondContact O-N 2.83Å; Y165-E169 PolarHBondContact O-N 3.28Å |
| 166 | V | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 176.6 | 179 | 0 | 0 | 0 | 0 | 110.2 | P162 D163 I164 E169 L170 | P162-V166 HydrophobicContact CB-CB 4.01Å; P162-V166 HydrophobicContact CB-CG1 3.8Å; D163-V166 PolarHBondContact O-N 3.16Å; D163-V166 VanDerWaalsContact O-N 3.16Å; I164-V166 VanDerWaalsContact C-N 3.35Å; I164-V166 PolarHBondContact O-N 2.89Å; V166-E169 PolarHBondContact O-N 3.12Å; V166-L170 HydrophobicContact CG1-CD1 4.31Å; V166-L170 VanDerWaalsContact O-CG 3.32Å; V166-L170 WeakPolarHBondContact O-CG 3.17Å; V166-L170 PolarHBondContact O-N 3.34Å |
| 167 | R | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 82.6 Ų | 82.6 | 20% | 0.196 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 177.4 | -64.5 | -158.1 | -57.2 | -98.8 | 1.8 | 112.5 | P162 D163 I164 Y165 L170 A171 E178 I181 | P162-R167 HydrophobicContact CB-CG 3.95Å; P162-R167 HydrophobicContact CG-CG 3.73Å; P162-R167 PolarHBondContact O-NH1 3.4Å; D163-R167 WeakPolarHBondContact O-CG 3.32Å; D163-R167 PolarHBondContact O-N 2.94Å; I164-R167 PolarHBondContact O-N 3.19Å; I164-R167 VanDerWaalsContact O-N 3.12Å; Y165-R167 VanDerWaalsContact C-N 3.33Å; R167-L170 PolarHBondContact O-N 3.46Å; R167-A171 WeakPolarHBondContact O-CB 3.48Å; R167-A171 PolarHBondContact O-N 3.4Å; R167-E178 HydrophobicContact CB-CG 3.91Å; R167-E178 WeakPolarHBondContact CB-OE2 3.29Å; R167-E178 WeakPolarHBondContact CD-OE2 3.24Å; R167-E178 IonicContact CZ-OE1 2.77Å; R167-E178 VanDerWaalsContact CZ-OE1 3.3Å; R167-E178 IonicContact NE-OE1 2.78Å; R167-E178 PolarHBondContact NE-OE1 2.81Å; R167-E178 IonicContact NE-OE2 2.94Å; R167-E178 PolarHBondContact NE-OE2 3.22Å; R167-E178 VanDerWaalsContact NE-OE2 3.09Å; R167-E178 IonicContact NH2-OE1 3.3Å; R167-E178 PolarHBondContact NH2-OE1 2.83Å; R167-I181 HydrophobicContact CB-CG2 4.28Å; R167-I181 HydrophobicContact CG-CG2 4.25Å |
| 168 | E | 98.7 | Very high | 98.1 | Very high | 103 Ų | 103 | 81 Ų | 81 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.1 | -73.5 | 180 | 162.5 | 0 | 0 | 112.1 | I164 Y165 A171 R172 E178 | I164-E168 HydrophobicContact CD1-CG 4.39Å; I164-E168 HydrophobicContact CG1-CG 4.48Å; I164-E168 WeakPolarHBondContact O-CG 3.29Å; I164-E168 PolarHBondContact O-N 3.22Å; Y165-E168 PolarHBondContact O-N 2.83Å; E168-A171 WeakPolarHBondContact O-CB 3.13Å; E168-A171 PolarHBondContact O-N 3.21Å; E168-R172 PolarHBondContact O-N 2.98Å; E168-E178 HydrophobicContact CG-CG 4.38Å |
| 169 | E | 98.5 | Very high | 98.1 | Very high | 90 Ų | 90 | 74.5 Ų | 74.5 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.8 | 178.3 | 56.7 | -170.9 | 0 | 0 | 111.5 | Y165 V166 A171 R172 V173 | Y165-E169 PolarHBondContact O-N 3.28Å; V166-E169 PolarHBondContact O-N 3.12Å; E169-A171 VanDerWaalsContact C-N 3.3Å; E169-A171 PolarHBondContact O-N 3.01Å; E169-R172 WeakPolarHBondContact O-CB 3.48Å; E169-R172 PolarHBondContact O-N 3.25Å; E169-R172 VanDerWaalsContact O-N 3.12Å; E169-R172 IonicContact OE1-CZ 3.54Å; E169-R172 IonicContact OE1-NE 3.56Å; E169-R172 IonicContact OE1-NH2 2.69Å; E169-R172 PolarHBondContact OE1-NH2 2.94Å; E169-R172 IonicContact OE2-CZ 3.48Å; E169-R172 IonicContact OE2-NE 3.09Å; E169-R172 PolarHBondContact OE2-NE 3.27Å; E169-R172 IonicContact OE2-NH2 2.83Å; E169-R172 PolarHBondContact OE2-NH2 3.14Å; E169-V173 WeakPolarHBondContact O-CG2 3.44Å; E169-V173 PolarHBondContact O-N 2.95Å |
| 170 | L | 98.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 76.6 Ų | 76.6 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 173.6 | -73.2 | 170.8 | 0 | 0 | 0 | 112.2 | L152 A155 V166 R167 R172 V173 T174 I181 F185 | L152-L170 HydrophobicContact CD2-CD1 4.39Å; A155-L170 HydrophobicContact CB-CD1 3.76Å; A155-L170 HydrophobicContact CB-CD2 3.9Å; A155-L170 HydrophobicContact CB-CG 4.42Å; V166-L170 HydrophobicContact CG1-CD1 4.31Å; V166-L170 VanDerWaalsContact O-CG 3.32Å; V166-L170 WeakPolarHBondContact O-CG 3.17Å; V166-L170 PolarHBondContact O-N 3.34Å; R167-L170 PolarHBondContact O-N 3.46Å; L170-R172 VanDerWaalsContact C-N 3.29Å; L170-R172 PolarHBondContact O-N 3.09Å; L170-V173 PolarHBondContact O-N 2.77Å; L170-T174 WeakPolarHBondContact O-CB 3.46Å; L170-T174 WeakPolarHBondContact O-CG2 3.33Å; L170-T174 PolarHBondContact O-N 3.41Å; L170-T174 PolarHBondContact O-OG1 2.78Å; L170-I181 HydrophobicContact CB-CG2 4.39Å; L170-I181 HydrophobicContact CD1-CG2 4.32Å; L170-F185 HydrophobicContact CD1-CE2 3.89Å; L170-F185 HydrophobicContact CD1-CZ 4.11Å |
| 171 | A | 98.5 | Very high | 98.1 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R167 E168 E169 K175 L176 I181 | R167-A171 WeakPolarHBondContact O-CB 3.48Å; R167-A171 PolarHBondContact O-N 3.4Å; E168-A171 WeakPolarHBondContact O-CB 3.13Å; E168-A171 PolarHBondContact O-N 3.21Å; E169-A171 VanDerWaalsContact C-N 3.3Å; E169-A171 PolarHBondContact O-N 3.01Å; A171-K175 WeakPolarHBondContact O-CA 3.35Å; A171-K175 PolarHBondContact O-N 3.06Å; A171-L176 CarbonylContact C-O 3.46Å; A171-L176 VanDerWaalsContact CA-O 3.29Å; A171-L176 WeakPolarHBondContact CA-O 3.42Å; A171-L176 WeakPolarHBondContact CB-O 3.18Å; A171-L176 PolarHBondContact O-N 2.75Å; A171-L176 VanDerWaalsContact O-N 3.16Å; A171-I181 HydrophobicContact CB-CG1 4.38Å |
| 172 | R | 98.4 | Very high | 98.1 | Very high | 148 Ų | 148 | 70.8 Ų | 70.8 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.2 | -42.7 | 177.1 | -169 | -170.6 | 70.4 | 82.7 | 4.5 | 112.8 | E168 E169 L170 K175 | E168-R172 PolarHBondContact O-N 2.98Å; E169-R172 WeakPolarHBondContact O-CB 3.48Å; E169-R172 PolarHBondContact O-N 3.25Å; E169-R172 VanDerWaalsContact O-N 3.12Å; E169-R172 IonicContact OE1-CZ 3.54Å; E169-R172 IonicContact OE1-NE 3.56Å; E169-R172 IonicContact OE1-NH2 2.69Å; E169-R172 PolarHBondContact OE1-NH2 2.94Å; E169-R172 IonicContact OE2-CZ 3.48Å; E169-R172 IonicContact OE2-NE 3.09Å; E169-R172 PolarHBondContact OE2-NE 3.27Å; E169-R172 IonicContact OE2-NH2 2.83Å; E169-R172 PolarHBondContact OE2-NH2 3.14Å; L170-R172 VanDerWaalsContact C-N 3.29Å; L170-R172 PolarHBondContact O-N 3.09Å; R172-K175 WeakPolarHBondContact O-CD 3.4Å; R172-K175 WeakPolarHBondContact O-CE 3.33Å; R172-K175 PolarHBondContact O-NZ 3.2Å |
| 173 | V | 98 | Very high | 98.1 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69 | -51.3 | 179.9 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | E151 E169 L170 K175 | E151-V173 HydrophobicContact CG-CG1 4.33Å; E169-V173 WeakPolarHBondContact O-CG2 3.44Å; E169-V173 PolarHBondContact O-N 2.95Å; L170-V173 PolarHBondContact O-N 2.77Å; V173-K175 VanDerWaalsContact C-N 3.33Å; V173-K175 PolarHBondContact O-N 2.76Å |
| 174 | T | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -81.2 | -8.5 | -175.2 | 62 | 0 | 0 | 0 | 0 | 114.4 | Q148 E151 L152 L170 L176 | Q148-T174 PolarHBondContact NE2-O 2.84Å; E151-T174 HydrophobicContact CB-CG2 4.02Å; L152-T174 HydrophobicContact CD2-CG2 4.47Å; L152-T174 HydrophobicContact CG-CG2 4.39Å; L170-T174 WeakPolarHBondContact O-CB 3.46Å; L170-T174 WeakPolarHBondContact O-CG2 3.33Å; L170-T174 PolarHBondContact O-N 3.41Å; L170-T174 PolarHBondContact O-OG1 2.78Å; T174-L176 WeakPolarHBondContact OG1-CD1 3.45Å |
| 175 | K | 98.2 | Very high | 98.2 | Very high | 160 Ų | 160 | 67 Ų | 67 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 42.4 | -175.4 | -50.5 | -59.2 | 177.3 | -159.2 | 0 | 113.2 | A171 R172 V173 | A171-K175 WeakPolarHBondContact O-CA 3.35Å; A171-K175 PolarHBondContact O-N 3.06Å; R172-K175 WeakPolarHBondContact O-CD 3.4Å; R172-K175 WeakPolarHBondContact O-CE 3.33Å; R172-K175 PolarHBondContact O-NZ 3.2Å; V173-K175 VanDerWaalsContact C-N 3.33Å; V173-K175 PolarHBondContact O-N 2.76Å |
| 176 | L | 96.9 | Very high | 98.2 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | trans | -122.2 | 153.6 | 178.6 | -62.8 | 167.2 | 0 | 0 | 0 | 109.6 | T142 F144 Q148 A171 T174 R180 I181 | T142-L176 HydrophobicContact CG2-CD2 4.11Å; F144-L176 HydrophobicContact CD1-CD1 3.61Å; F144-L176 HydrophobicContact CD1-CD2 4.36Å; F144-L176 HydrophobicContact CE1-CD1 3.69Å; F144-L176 HydrophobicContact CE1-CD2 4.4Å; Q148-L176 HydrophobicContact CG-CD1 4.43Å; A171-L176 CarbonylContact C-O 3.46Å; A171-L176 VanDerWaalsContact CA-O 3.29Å; A171-L176 WeakPolarHBondContact CA-O 3.42Å; A171-L176 WeakPolarHBondContact CB-O 3.18Å; A171-L176 PolarHBondContact O-N 2.75Å; A171-L176 VanDerWaalsContact O-N 3.16Å; T174-L176 WeakPolarHBondContact OG1-CD1 3.45Å; L176-R180 HydrophobicContact CB-CB 4.46Å; L176-I181 HydrophobicContact CB-CD1 3.87Å; L176-I181 HydrophobicContact CD1-CD1 3.75Å; L176-I181 HydrophobicContact CG-CD1 4.48Å | ||
| 177 | N | 97.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 65.2 Ų | 65.2 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | trans | -68.1 | 145.1 | 172.7 | -59.2 | 9.4 | 0 | 0 | 0 | 109.9 | A179 R180 I181 | N177-A179 VanDerWaalsContact C-N 3.26Å; N177-A179 PolarHBondContact O-N 2.7Å; N177-R180 HydrophobicContact CB-CG 4.16Å; N177-R180 WeakPolarHBondContact O-CA 3.15Å; N177-R180 VanDerWaalsContact O-CB 3.24Å; N177-R180 WeakPolarHBondContact O-CB 3.36Å; N177-R180 PolarHBondContact O-N 3.32Å; N177-I181 PolarHBondContact O-N 3.42Å | ||
| 178 | E | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 65.7 Ų | 65.7 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -47.8 | -52 | 173.6 | -159.2 | -55.2 | -117.3 | 0 | 0 | 109.9 | I164 R167 E168 R180 I181 Q182 | I164-E178 HydrophobicContact CD1-CG 4.28Å; R167-E178 HydrophobicContact CB-CG 3.91Å; R167-E178 WeakPolarHBondContact CB-OE2 3.29Å; R167-E178 WeakPolarHBondContact CD-OE2 3.24Å; R167-E178 IonicContact CZ-OE1 2.77Å; R167-E178 VanDerWaalsContact CZ-OE1 3.3Å; R167-E178 IonicContact NE-OE1 2.78Å; R167-E178 PolarHBondContact NE-OE1 2.81Å; R167-E178 IonicContact NE-OE2 2.94Å; R167-E178 PolarHBondContact NE-OE2 3.22Å; R167-E178 VanDerWaalsContact NE-OE2 3.09Å; R167-E178 IonicContact NH2-OE1 3.3Å; R167-E178 PolarHBondContact NH2-OE1 2.83Å; E168-E178 HydrophobicContact CG-CG 4.38Å; E178-R180 CarbonylContact O-C 3.54Å; E178-R180 PolarHBondContact O-N 3.07Å; E178-I181 CarbonylContact O-C 3.34Å; E178-I181 VanDerWaalsContact O-CA 3.29Å; E178-I181 WeakPolarHBondContact O-CA 3.2Å; E178-I181 VanDerWaalsContact O-CB 3.31Å; E178-I181 WeakPolarHBondContact O-CB 3.31Å; E178-I181 PolarHBondContact O-N 3.34Å; E178-Q182 PolarHBondContact O-N 3.22Å; E178-Q182 PolarHBondContact OE2-N 2.88Å |
| 179 | A | 97.5 | Very high | 98.2 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -51 | -27.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N177 V183 | N177-A179 VanDerWaalsContact C-N 3.26Å; N177-A179 PolarHBondContact O-N 2.7Å; A179-V183 WeakPolarHBondContact O-CG2 3.43Å; A179-V183 PolarHBondContact O-N 3.33Å |
| 180 | R | 97.9 | Very high | 98.2 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.9 | -42.7 | 171.5 | -58.2 | -68.2 | 92.4 | 162.9 | 10.2 | 112 | T142 L176 N177 E178 V183 W184 | T142-R180 WeakPolarHBondContact OG1-CD 3.42Å; T142-R180 PolarHBondContact OG1-NH1 2.86Å; L176-R180 HydrophobicContact CB-CB 4.46Å; N177-R180 HydrophobicContact CB-CG 4.16Å; N177-R180 WeakPolarHBondContact O-CA 3.15Å; N177-R180 VanDerWaalsContact O-CB 3.24Å; N177-R180 WeakPolarHBondContact O-CB 3.36Å; N177-R180 PolarHBondContact O-N 3.32Å; E178-R180 CarbonylContact O-C 3.54Å; E178-R180 PolarHBondContact O-N 3.07Å; R180-V183 PolarHBondContact O-N 2.79Å; R180-W184 WeakPolarHBondContact O-CB 3.05Å; R180-W184 PolarHBondContact O-N 3.19Å |
| 181 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 173.7 | -55 | -45.3 | 0 | 0 | 0 | 110.4 | L152 R167 L170 A171 L176 N177 E178 V183 W184 F185 | L152-I181 HydrophobicContact CD1-CD1 4.33Å; L152-I181 HydrophobicContact CD2-CD1 3.67Å; L152-I181 HydrophobicContact CD2-CG2 4.16Å; R167-I181 HydrophobicContact CB-CG2 4.28Å; R167-I181 HydrophobicContact CG-CG2 4.25Å; L170-I181 HydrophobicContact CB-CG2 4.39Å; L170-I181 HydrophobicContact CD1-CG2 4.32Å; A171-I181 HydrophobicContact CB-CG1 4.38Å; L176-I181 HydrophobicContact CB-CD1 3.87Å; L176-I181 HydrophobicContact CD1-CD1 3.75Å; L176-I181 HydrophobicContact CG-CD1 4.48Å; N177-I181 PolarHBondContact O-N 3.42Å; E178-I181 CarbonylContact O-C 3.34Å; E178-I181 VanDerWaalsContact O-CA 3.29Å; E178-I181 WeakPolarHBondContact O-CA 3.2Å; E178-I181 VanDerWaalsContact O-CB 3.31Å; E178-I181 WeakPolarHBondContact O-CB 3.31Å; E178-I181 PolarHBondContact O-N 3.34Å; I181-V183 VanDerWaalsContact C-N 3.33Å; I181-V183 PolarHBondContact O-N 3.42Å; I181-W184 WeakPolarHBondContact O-CB 3.41Å; I181-W184 PolarHBondContact O-N 2.94Å; I181-W184 VanDerWaalsContact O-N 3.07Å; I181-F185 HydrophobicContact CG2-CD2 3.67Å; I181-F185 HydrophobicContact CG2-CE2 3.7Å; I181-F185 WeakPolarHBondContact O-CD2 3.42Å; I181-F185 PolarHBondContact O-N 3.16Å |
| 182 | Q | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.5 | -48.6 | 174.7 | -177.9 | -178.8 | -24.1 | 0 | 0 | 112.6 | E178 F185 Q186 | E178-Q182 PolarHBondContact O-N 3.22Å; E178-Q182 PolarHBondContact OE2-N 2.88Å; Q182-F185 PolarHBondContact O-N 2.94Å; Q182-Q186 PolarHBondContact O-N 2.84Å |
| 183 | V | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 70.3 Ų | 70.3 | 38% | 0.382 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.4 | A179 R180 I181 Q186 N187 | A179-V183 WeakPolarHBondContact O-CG2 3.43Å; A179-V183 PolarHBondContact O-N 3.33Å; R180-V183 PolarHBondContact O-N 2.79Å; I181-V183 VanDerWaalsContact C-N 3.33Å; I181-V183 PolarHBondContact O-N 3.42Å; V183-Q186 PolarHBondContact O-N 2.69Å; V183-N187 WeakPolarHBondContact O-CB 3.33Å; V183-N187 PolarHBondContact O-N 3.46Å; V183-N187 PolarHBondContact O-ND2 2.96Å |
| 184 | W | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 73.4 Ų | 73.4 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.3 | -175.6 | 100.9 | 0 | 0 | 0 | 111.1 | F144 L152 E153 F156 R180 I181 Q186 N187 R188 | F144-W184 AromaticContact CE2-CD1 3.7Å; F144-W184 HydrophobicContact CZ-CB 4.26Å; F144-W184 AromaticContact CZ-CD1 3.76Å; F144-W184 HydrophobicContact CZ-CG 4.4Å; L152-W184 HydrophobicContact CB-CD2 4.11Å; L152-W184 HydrophobicContact CB-CE3 4.04Å; L152-W184 HydrophobicContact CB-CH2 3.59Å; L152-W184 HydrophobicContact CB-CZ2 3.62Å; L152-W184 HydrophobicContact CB-CZ3 3.8Å; L152-W184 HydrophobicContact CD1-CD2 3.92Å; L152-W184 HydrophobicContact CD1-CE3 4.47Å; L152-W184 HydrophobicContact CD1-CG 3.99Å; L152-W184 HydrophobicContact CD1-CZ2 4.5Å; L152-W184 HydrophobicContact CG-CD2 4.47Å; L152-W184 WeakPolarHBondContact O-CH2 3.35Å; E153-W184 HydrophobicContact CG-CH2 4.09Å; E153-W184 HydrophobicContact CG-CZ2 4.04Å; F156-W184 HydrophobicContact CB-CH2 4.3Å; F156-W184 HydrophobicContact CB-CZ3 4.3Å; F156-W184 HydrophobicContact CD2-CZ3 4.37Å; R180-W184 WeakPolarHBondContact O-CB 3.05Å; R180-W184 PolarHBondContact O-N 3.19Å; I181-W184 WeakPolarHBondContact O-CB 3.41Å; I181-W184 PolarHBondContact O-N 2.94Å; I181-W184 VanDerWaalsContact O-N 3.07Å; W184-Q186 VanDerWaalsContact C-N 3.34Å; W184-Q186 PolarHBondContact O-N 2.98Å; W184-N187 PolarHBondContact O-N 3.38Å; W184-R188 HydrophobicContact CE3-CB 4.14Å; W184-R188 HydrophobicContact CH2-CB 4.11Å; W184-R188 HydrophobicContact CH2-CG 3.82Å; W184-R188 HydrophobicContact CZ2-CG 4.38Å; W184-R188 HydrophobicContact CZ3-CB 3.91Å; W184-R188 HydrophobicContact CZ3-CG 4Å; W184-R188 WeakPolarHBondContact O-CB 3.04Å; W184-R188 PolarHBondContact O-N 3.49Å |
| 185 | F | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 178.1 | -90.1 | -88.7 | 0 | 0 | 0 | 112 | L152 A155 F156 P162 L170 I181 Q182 R188 R189 | L152-F185 HydrophobicContact CD2-CE2 4.2Å; A155-F185 HydrophobicContact CB-CZ 4.21Å; F156-F185 HydrophobicContact CB-CE1 4.15Å; F156-F185 AromaticContact CD2-CD1 3.88Å; F156-F185 HydrophobicContact CD2-CD1 3.88Å; F156-F185 AromaticContact CD2-CE1 3.84Å; F156-F185 HydrophobicContact CD2-CE1 3.84Å; F156-F185 HydrophobicContact CG-CE1 4.5Å; P162-F185 VanDerWaalsContact CD-CD1 3.48Å; P162-F185 HydrophobicContact CG-CD1 3.7Å; P162-F185 HydrophobicContact CG-CD2 4Å; P162-F185 HydrophobicContact CG-CE1 3.57Å; P162-F185 HydrophobicContact CG-CE2 3.9Å; P162-F185 HydrophobicContact CG-CG 3.92Å; P162-F185 HydrophobicContact CG-CZ 3.7Å; L170-F185 HydrophobicContact CD1-CE2 3.89Å; L170-F185 HydrophobicContact CD1-CZ 4.11Å; I181-F185 HydrophobicContact CG2-CD2 3.67Å; I181-F185 HydrophobicContact CG2-CE2 3.7Å; I181-F185 WeakPolarHBondContact O-CD2 3.42Å; I181-F185 PolarHBondContact O-N 3.16Å; Q182-F185 PolarHBondContact O-N 2.94Å; F185-R188 PolarHBondContact O-N 3.22Å; F185-R189 WeakPolarHBondContact O-CB 3.03Å; F185-R189 WeakPolarHBondContact O-CG 3.12Å; F185-R189 PolarHBondContact O-N 2.78Å |
| 186 | Q | 98.5 | Very high | 97.1 | Very high | 115 Ų | 115 | 74.3 Ų | 74.3 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 174 | -176 | 179 | 77.9 | 0 | 0 | 111.5 | Q182 V183 W184 A190 | Q182-Q186 PolarHBondContact O-N 2.84Å; V183-Q186 PolarHBondContact O-N 2.69Å; W184-Q186 VanDerWaalsContact C-N 3.34Å; W184-Q186 PolarHBondContact O-N 2.98Å; Q186-A190 PolarHBondContact O-N 3.46Å |
| 187 | N | 98.5 | Very high | 96.7 | Very high | 89 Ų | 89 | 79.5 Ų | 79.5 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.6 | -73.5 | -32.7 | 0 | 0 | 0 | 112.2 | V183 W184 A190 K191 | V183-N187 WeakPolarHBondContact O-CB 3.33Å; V183-N187 PolarHBondContact O-N 3.46Å; V183-N187 PolarHBondContact O-ND2 2.96Å; W184-N187 PolarHBondContact O-N 3.38Å; N187-A190 WeakPolarHBondContact O-CB 3.49Å; N187-A190 PolarHBondContact O-N 3.45Å; N187-K191 PolarHBondContact O-N 3.4Å |
| 188 | R | 98.6 | Very high | 96.3 | Very high | 61 Ų | 61 | 79 Ų | 79 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 177.9 | -172.7 | 65.6 | -177.5 | 109.7 | -9.1 | 111.3 | F156 W184 F185 A190 K191 Y192 | F156-R188 HydrophobicContact CD1-CG 4.17Å; F156-R188 HydrophobicContact CD2-CB 4.19Å; F156-R188 HydrophobicContact CD2-CG 3.55Å; F156-R188 HydrophobicContact CE1-CG 4.08Å; F156-R188 HydrophobicContact CE2-CB 4Å; F156-R188 HydrophobicContact CE2-CG 3.46Å; F156-R188 VanDerWaalsContact CE2-CG 3.46Å; F156-R188 HydrophobicContact CG-CG 3.93Å; F156-R188 HydrophobicContact CZ-CG 3.74Å; W184-R188 HydrophobicContact CE3-CB 4.14Å; W184-R188 HydrophobicContact CH2-CB 4.11Å; W184-R188 HydrophobicContact CH2-CG 3.82Å; W184-R188 HydrophobicContact CZ2-CG 4.38Å; W184-R188 HydrophobicContact CZ3-CB 3.91Å; W184-R188 HydrophobicContact CZ3-CG 4Å; W184-R188 WeakPolarHBondContact O-CB 3.04Å; W184-R188 PolarHBondContact O-N 3.49Å; F185-R188 PolarHBondContact O-N 3.22Å; R188-A190 VanDerWaalsContact C-N 3.33Å; R188-A190 PolarHBondContact O-N 3.11Å; R188-K191 PolarHBondContact O-N 3.42Å; R188-Y192 WeakPolarHBondContact O-CB 3.39Å; R188-Y192 PolarHBondContact O-N 2.87Å |
| 189 | R | 98.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 82.4 Ų | 82.4 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 172.4 | -72.9 | -166.1 | -61.4 | -90.7 | 2 | 112.5 | F156 H160 Y161 F185 Y192 R193 | F156-R189 HydrophobicContact CE2-CG 3.99Å; H160-R189 HydrophobicContact CB-CG 4.42Å; H160-R189 WeakPolarHBondContact O-CD 3.4Å; H160-R189 PolarHBondContact O-NH1 3.01Å; Y161-R189 VanDerWaalsContact CE1-NE 3.28Å; F185-R189 WeakPolarHBondContact O-CB 3.03Å; F185-R189 WeakPolarHBondContact O-CG 3.12Å; F185-R189 PolarHBondContact O-N 2.78Å; R189-Y192 PolarHBondContact O-N 3.42Å; R189-R193 WeakPolarHBondContact O-CG 3.29Å; R189-R193 PolarHBondContact O-N 3.11Å |
| 190 | A | 98.3 | Very high | 95 | Very high | 48 Ų | 48 | 86.3 Ų | 86.3 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q186 N187 R188 K194 | Q186-A190 PolarHBondContact O-N 3.46Å; N187-A190 WeakPolarHBondContact O-CB 3.49Å; N187-A190 PolarHBondContact O-N 3.45Å; R188-A190 VanDerWaalsContact C-N 3.33Å; R188-A190 PolarHBondContact O-N 3.11Å; A190-K194 PolarHBondContact O-N 3.28Å; A190-K194 VanDerWaalsContact O-N 3.12Å |
| 191 | K | 97.9 | Very high | 94.4 | Very high | 145 Ų | 145 | 89.5 Ų | 89.5 | 63% | 0.63 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 174 | -71.7 | -177.9 | 178.6 | -175.2 | 0 | 112 | N187 R188 R193 K194 Q195 | N187-K191 PolarHBondContact O-N 3.4Å; R188-K191 PolarHBondContact O-N 3.42Å; K191-R193 PolarHBondContact O-N 2.92Å; K191-K194 WeakPolarHBondContact O-CB 3.32Å; K191-K194 PolarHBondContact O-N 3.01Å; K191-K194 VanDerWaalsContact O-N 3.08Å; K191-Q195 PolarHBondContact O-N 3.26Å |
| 192 | Y | 97.2 | Very high | 93.6 | Very high | 78 Ų | 78 | 93.4 Ų | 93.4 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.3 | -51.9 | 178.7 | 179.4 | -92.6 | 0 | 0 | 0 | 111.5 | F156 H160 R188 R189 K194 Q195 E196 | F156-Y192 HydrophobicContact CE1-CD2 4.2Å; F156-Y192 HydrophobicContact CZ-CD2 4.37Å; F156-Y192 HydrophobicContact CZ-CG 4.31Å; H160-Y192 AromaticContact CE1-CE2 3.96Å; H160-Y192 AromaticContact CE1-CZ 3.85Å; R188-Y192 WeakPolarHBondContact O-CB 3.39Å; R188-Y192 PolarHBondContact O-N 2.87Å; R189-Y192 PolarHBondContact O-N 3.42Å; Y192-K194 VanDerWaalsContact C-N 3.28Å; Y192-K194 PolarHBondContact O-N 2.99Å; Y192-Q195 WeakPolarHBondContact O-CB 3.2Å; Y192-Q195 PolarHBondContact O-N 3.41Å; Y192-Q195 VanDerWaalsContact O-N 3.13Å; Y192-E196 HydrophobicContact CE1-CG 4.14Å; Y192-E196 WeakPolarHBondContact CE1-OE1 3.35Å; Y192-E196 WeakPolarHBondContact CE1-OE2 3.38Å; Y192-E196 PolarHBondContact O-N 3.41Å; Y192-E196 VanDerWaalsContact O-N 3.09Å; Y192-E196 PolarHBondContact OH-OE1 3.36Å |
| 193 | R | 96.5 | Very high | 92.5 | Very high | 146 Ų | 146 | 93.3 Ų | 93.3 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -30.7 | 176.2 | -67.7 | -170 | -60.9 | -170.6 | 1.7 | 113.6 | R189 K191 K197 | R189-R193 WeakPolarHBondContact O-CG 3.29Å; R189-R193 PolarHBondContact O-N 3.11Å; K191-R193 PolarHBondContact O-N 2.92Å; R193-K197 WeakPolarHBondContact O-CG 3.46Å; R193-K197 PolarHBondContact O-N 3.46Å |
| 194 | K | 94.9 | Very high | 91.2 | Very high | 128 Ų | 128 | 93 Ų | 93 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -70.2 | -40.4 | 176 | -171.3 | 178 | -179.9 | -176.9 | 0 | 110.9 | A190 K191 Y192 K197 Q198 | A190-K194 PolarHBondContact O-N 3.28Å; A190-K194 VanDerWaalsContact O-N 3.12Å; K191-K194 WeakPolarHBondContact O-CB 3.32Å; K191-K194 PolarHBondContact O-N 3.01Å; K191-K194 VanDerWaalsContact O-N 3.08Å; Y192-K194 VanDerWaalsContact C-N 3.28Å; Y192-K194 PolarHBondContact O-N 2.99Å; K194-K197 PolarHBondContact O-N 3.13Å; K194-Q198 WeakPolarHBondContact O-CG 3.47Å; K194-Q198 PolarHBondContact O-N 3.09Å |
| 195 | Q | 93 | Very high | 89.6 | Confident | 118 Ų | 118 | 96.3 Ų | 96.3 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 178.2 | -173.9 | 176.4 | 3.3 | 0 | 0 | 111.6 | K191 Y192 K197 Q198 L199 | K191-Q195 PolarHBondContact O-N 3.26Å; Y192-Q195 WeakPolarHBondContact O-CB 3.2Å; Y192-Q195 PolarHBondContact O-N 3.41Å; Y192-Q195 VanDerWaalsContact O-N 3.13Å; Q195-K197 PolarHBondContact O-N 3.4Å; Q195-Q198 PolarHBondContact O-N 3.02Å; Q195-Q198 VanDerWaalsContact O-N 3.17Å; Q195-L199 PolarHBondContact O-N 3.26Å |
| 196 | E | 88.1 | Confident | 87.7 | Confident | 68 Ų | 68 | 102.4 Ų | 102.4 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 175.9 | -69.5 | 178.1 | 139.1 | 0 | 0 | 112 | Y192 Q198 L199 Q200 | Y192-E196 HydrophobicContact CE1-CG 4.14Å; Y192-E196 WeakPolarHBondContact CE1-OE1 3.35Å; Y192-E196 WeakPolarHBondContact CE1-OE2 3.38Å; Y192-E196 PolarHBondContact O-N 3.41Å; Y192-E196 VanDerWaalsContact O-N 3.09Å; Y192-E196 PolarHBondContact OH-OE1 3.36Å; E196-Q198 VanDerWaalsContact C-N 3.34Å; E196-Q198 PolarHBondContact O-N 2.88Å; E196-L199 PolarHBondContact O-N 3.47Å; E196-Q200 WeakPolarHBondContact O-CG 3.44Å; E196-Q200 PolarHBondContact O-N 3.27Å |
| 197 | K | 87.4 | Confident | 85.9 | Confident | 132 Ų | 132 | 103 Ų | 103 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -33.6 | 176.7 | -71.6 | 179.2 | -178.8 | -171.4 | 0 | 113.2 | R193 K194 Q195 K201 | R193-K197 WeakPolarHBondContact O-CG 3.46Å; R193-K197 PolarHBondContact O-N 3.46Å; K194-K197 PolarHBondContact O-N 3.13Å; Q195-K197 PolarHBondContact O-N 3.4Å; K197-K201 WeakPolarHBondContact O-CD 3.49Å; K197-K201 VanDerWaalsContact O-CG 3.23Å; K197-K201 WeakPolarHBondContact O-CG 3.36Å; K197-K201 PolarHBondContact O-N 3.24Å |
| 198 | Q | 88.4 | Confident | 83.9 | Confident | 110 Ų | 110 | 105.4 Ų | 105.4 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 176.1 | -76.5 | 175.2 | -8.8 | 0 | 0 | 110.9 | K194 Q195 E196 K201 A202 | K194-Q198 WeakPolarHBondContact O-CG 3.47Å; K194-Q198 PolarHBondContact O-N 3.09Å; Q195-Q198 PolarHBondContact O-N 3.02Å; Q195-Q198 VanDerWaalsContact O-N 3.17Å; E196-Q198 VanDerWaalsContact C-N 3.34Å; E196-Q198 PolarHBondContact O-N 2.88Å; Q198-K201 PolarHBondContact O-N 3.35Å; Q198-A202 PolarHBondContact O-N 3.22Å |
| 199 | L | 88.3 | Confident | 81.7 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -44.9 | 176.2 | -175.5 | 55.8 | 0 | 0 | 0 | 111.3 | Q195 E196 K201 A202 L203 | Q195-L199 PolarHBondContact O-N 3.26Å; E196-L199 PolarHBondContact O-N 3.47Å; L199-K201 VanDerWaalsContact C-N 3.26Å; L199-K201 PolarHBondContact O-N 3.44Å; L199-A202 PolarHBondContact O-N 3Å; L199-A202 VanDerWaalsContact O-N 3.12Å; L199-L203 HydrophobicContact CD1-CD1 3.62Å; L199-L203 HydrophobicContact CD1-CG 4.3Å; L199-L203 HydrophobicContact CD2-CD1 4.49Å; L199-L203 HydrophobicContact CG-CD1 3.6Å; L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 WeakPolarHBondContact O-CD1 3.36Å; L199-L203 PolarHBondContact O-N 3.32Å |
| 200 | Q | 81.9 | Confident | 79.4 | Confident | 132 Ų | 132 | 111.6 Ų | 111.6 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.7 | -35.7 | 174.5 | -72.1 | 172.8 | 3.4 | 0 | 0 | 113.2 | E196 A204 | E196-Q200 WeakPolarHBondContact O-CG 3.44Å; E196-Q200 PolarHBondContact O-N 3.27Å; Q200-A204 PolarHBondContact O-N 3Å; Q200-A204 VanDerWaalsContact O-N 3.14Å |
| 201 | K | 83.8 | Confident | 77 | Confident | 163 Ų | 163 | 114.7 Ų | 114.7 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.4 | -31.9 | 176.5 | -70.3 | 167.5 | -179.9 | -165.6 | 0 | 113 | K197 Q198 L199 | K197-K201 WeakPolarHBondContact O-CD 3.49Å; K197-K201 VanDerWaalsContact O-CG 3.23Å; K197-K201 WeakPolarHBondContact O-CG 3.36Å; K197-K201 PolarHBondContact O-N 3.24Å; Q198-K201 PolarHBondContact O-N 3.35Å; L199-K201 VanDerWaalsContact C-N 3.26Å; L199-K201 PolarHBondContact O-N 3.44Å |
| 202 | A | 82.7 | Confident | 74.2 | Confident | 82 Ų | 82 | 114 Ų | 114 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.7 | -28.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q198 L199 | Q198-A202 PolarHBondContact O-N 3.22Å; L199-A202 PolarHBondContact O-N 3Å; L199-A202 VanDerWaalsContact O-N 3.12Å |
| 203 | L | 74.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 115.8 Ų | 115.8 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -86.6 | -17.4 | 176.7 | -76.6 | 152.2 | 0 | 0 | 0 | 113.5 | L199 L291 | L199-L203 HydrophobicContact CD1-CD1 3.62Å; L199-L203 HydrophobicContact CD1-CG 4.3Å; L199-L203 HydrophobicContact CD2-CD1 4.49Å; L199-L203 HydrophobicContact CG-CD1 3.6Å; L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 WeakPolarHBondContact O-CD1 3.36Å; L199-L203 PolarHBondContact O-N 3.32Å; L203-L291 HydrophobicContact CD2-CD2 3.71Å |
| 204 | A | 70.4 | Confident | 69.8 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -65.5 | 124.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108 | Q200 | Q200-A204 PolarHBondContact O-N 3Å; Q200-A204 VanDerWaalsContact O-N 3.14Å |
| 205 | P | 64.6 | Low | 67.8 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | trans | -55.3 | 146.3 | 174.9 | 22.6 | -31.2 | 0 | 0 | 0 | 108.8 | V207 | P205-V207 PolarHBondContact O-N 2.97Š| ||
| 206 | P | 60.9 | Low | 66 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | trans | -68.7 | 78.4 | 175 | 31 | -33.6 | 0 | 0 | 0 | 107.8 | L208 | P206-L208 VanDerWaalsContact C-N 3.33Å; P206-L208 PolarHBondContact O-N 3.12Å | ||
| 207 | V | 59.3 | Low | 64.2 | Low | 127 Ų | 127 | 118.6 Ų | 118.6 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -63.3 | 109.3 | 153.7 | -77.2 | 0 | 0 | 0 | 0 | 104.1 | P205 | P205-V207 PolarHBondContact O-N 2.97Š| ||
| 208 | L | 56.4 | Low | 62.6 | Low | 141 Ų | 141 | 123 Ų | 123 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | trans | -34.9 | 140 | 170.3 | -68.1 | 162.2 | 0 | 0 | 0 | 109.2 | P206 T210 | P206-L208 VanDerWaalsContact C-N 3.33Å; P206-L208 PolarHBondContact O-N 3.12Å; L208-T210 PolarHBondContact O-N 2.92Å | ||
| 209 | P | 53.5 | Low | 60.8 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -66.1 | 82.2 | 171.3 | 28 | -30.8 | 0 | 0 | 0 | 108.2 | H211 | P209-H211 VanDerWaalsContact C-N 3.34Å; P209-H211 PolarHBondContact O-N 3.08Å | ||
| 210 | T | 50.3 | Low | 59.3 | Low | 117 Ų | 117 | 126.4 Ų | 126.4 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | trans | -71.7 | 96.1 | 169.4 | -59.9 | 0 | 0 | 0 | 0 | 106.4 | L208 | L208-T210 PolarHBondContact O-N 2.92Š| ||
| 211 | H | 46.1 | Very low | 57.7 | Low | 113 Ų | 113 | 130.5 Ų | 130.5 | 52% | 0.523 | 72% | 0.716 | S | S | . | * | trans | 65.7 | 142.8 | 179.4 | 88 | 28.5 | 0 | 0 | 0 | 114.3 | P209 N213 | P209-H211 VanDerWaalsContact C-N 3.34Å; P209-H211 PolarHBondContact O-N 3.08Å; H211-N213 PolarHBondContact CD2-ND2 3.41Å; H211-N213 WeakPolarHBondContact CE1-CB 3.46Å; H211-N213 WeakPolarHBondContact ND1-CB 3.46Å; H211-N213 PolarHBondContact ND1-N 3.17Å; H211-N213 PolarHBondContact NE2-ND2 2.93Å | ||
| 212 | C | 41 | Very low | 56.2 | Low | 131 Ų | 131 | 127 Ų | 127 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | cis | 48.7 | 40.5 | 39.2 | 81.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 213 | N | 51.5 | Low | 54.7 | Low | 115 Ų | 115 | 129.2 Ų | 129.2 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | trans | -120.4 | 102.6 | 144.7 | -84.3 | -37.3 | 0 | 0 | 0 | 107.7 | H211 | H211-N213 PolarHBondContact CD2-ND2 3.41Å; H211-N213 WeakPolarHBondContact CE1-CB 3.46Å; H211-N213 WeakPolarHBondContact ND1-CB 3.46Å; H211-N213 PolarHBondContact ND1-N 3.17Å; H211-N213 PolarHBondContact NE2-ND2 2.93Å | ||
| 214 | A | 49.7 | Very low | 53.2 | Low | 75 Ų | 75 | 133.2 Ų | 133.2 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | 80.8 | 129.9 | 95.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 215 | P | 51.6 | Low | 52.6 | Low | 110 Ų | 110 | 136.5 Ų | 136.5 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -126.7 | 84.8 | 49.8 | 37.7 | -22.6 | 0 | 0 | 0 | 112.3 | ||
| 216 | M | 55.8 | Low | 52.3 | Low | 188 Ų | 188 | 138.4 Ų | 138.4 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -101.9 | 4.2 | 160.2 | -58.6 | -167.3 | 176.7 | 0 | 0 | 112.1 | ||
| 217 | M | 51.1 | Low | 51.7 | Low | 146 Ų | 146 | 138.2 Ų | 138.2 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -129.8 | 26.7 | -176.3 | -70.8 | -74.1 | -96.9 | 0 | 0 | 113.6 | N219 | M217-N219 PolarHBondContact O-N 3.12Š| ||
| 218 | R | 52.9 | Low | 50.9 | Low | 225 Ų | 225 | 137.9 Ų | 137.9 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 4.2 | 178.6 | -158.7 | 64.9 | -171.3 | 175.8 | 5 | 114.3 | ||
| 219 | N | 51.1 | Low | 50.6 | Low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 9.3 | -169.9 | -107.3 | 62.6 | 0 | 0 | 0 | 117.2 | M217 | M217-N219 PolarHBondContact O-N 3.12Š|
| 220 | M | 55.9 | Low | 50 | Low | 140 Ų | 140 | 140.2 Ų | 140.2 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -113.9 | -12.5 | -173.4 | -78.4 | -79.3 | 98.9 | 0 | 0 | 116.7 | ||
| 221 | Y | 47.9 | Very low | 49.7 | Very low | 218 Ų | 218 | 144.9 Ų | 144.9 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -142.9 | 76 | 178.1 | -60.5 | -81.2 | 0 | 0 | 0 | 111.1 | ||||
| 222 | A | 53.9 | Low | 50.1 | Low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -104.8 | 122.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 223 | P | 49.3 | Very low | 50.4 | Low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -73.3 | 133.1 | -179.6 | 29 | -30.3 | 0 | 0 | 0 | 110.6 | ||||
| 224 | Q | 44.1 | Very low | 50.6 | Low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 119.1 | 179.7 | -62.6 | -80.5 | -0.4 | 0 | 0 | 111.1 | ||||
| 225 | T | 58.5 | Low | 50.5 | Low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -153.3 | 99.2 | 153.8 | 45.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 226 | V | 57.2 | Low | 50.5 | Low | 136 Ų | 136 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 63.5 | 154.2 | 142.4 | -57.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 227 | P | 48.6 | Very low | 50.3 | Low | 125 Ų | 125 | 146.5 Ų | 146.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | cis | -133 | 167.7 | -41.2 | 36.4 | -18.8 | 0 | 0 | 0 | 114.6 | ||||
| 228 | S | 41.9 | Very low | 50 | Low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -55.5 | 131.1 | -173.2 | -162.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 229 | R | 50.2 | Low | 50 | Low | 254 Ų | 254 | 142.3 Ų | 142.3 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 112.4 | 140.2 | -108.1 | -169.3 | -178.8 | -163.3 | 1.7 | 107.8 | ||||
| 230 | G | 41.2 | Very low | 49.7 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -90.2 | -167.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 231 | Y | 44 | Very low | 49.3 | Very low | 215 Ų | 215 | 141.2 Ų | 141.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 86.6 | 119.3 | 176.2 | -78.6 | -110.6 | 0 | 0 | 0 | 114.7 | ||||
| 232 | Q | 53.9 | Low | 49.5 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | cis | -164.6 | 147.9 | 15.2 | -90.6 | -82.7 | -31.8 | 0 | 0 | 110.3 | ||||
| 233 | P | 48.2 | Very low | 49.1 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 131.5 | 161.2 | 33.2 | -24.4 | 0 | 0 | 0 | 110 | A235 | P233-A235 PolarHBondContact O-N 3.28Š|
| 234 | Y | 55.2 | Low | 49.5 | Very low | 216 Ų | 216 | 140.5 Ų | 140.5 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.5 | -178.1 | 35.8 | -88.3 | 0 | 0 | 0 | 112.3 | ||
| 235 | A | 49.1 | Very low | 49.9 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 124.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P233 A237 | P233-A235 PolarHBondContact O-N 3.28Å; A235-A237 PolarHBondContact O-N 2.96Å; A235-A237 VanDerWaalsContact O-N 3.17Å |
| 236 | V | 50.5 | Low | 49.8 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 101.4 | 167.3 | 169.2 | 0 | 0 | 0 | 0 | 107.7 | H238 | V236-H238 PolarHBondContact O-N 3.31Š| ||
| 237 | A | 51 | Low | 49.3 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -76.7 | 107.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | A235 A239 | A235-A237 PolarHBondContact O-N 2.96Å; A235-A237 VanDerWaalsContact O-N 3.17Å; A237-A239 PolarHBondContact O-N 2.85Å | ||
| 238 | H | 45.1 | Very low | 49.5 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 89% | 0.889 | 81% | 0.806 | S | S | * | * | trans | -69.5 | 99.7 | 151.2 | -98.6 | 13 | 0 | 0 | 0 | 107.4 | V236 | V236-H238 PolarHBondContact O-N 3.31Š| ||
| 239 | A | 53.4 | Low | 50.2 | Low | 90 Ų | 90 | 142.2 Ų | 142.2 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -123.5 | 117.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | A237 | A237-A239 PolarHBondContact O-N 2.85Š| ||
| 240 | G | 44.5 | Very low | 50.2 | Low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -62.1 | 138.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 241 | M | 47.9 | Very low | 50.8 | Low | 195 Ų | 195 | 137.1 Ų | 137.1 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | 39.4 | 100.5 | 131.5 | -46.2 | -152.8 | 158.6 | 0 | 0 | 116.8 | ||||
| 242 | S | 51 | Low | 51.1 | Low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -153 | 128.4 | 138.2 | -165.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 243 | M | 46.8 | Very low | 51.2 | Low | 181 Ų | 181 | 140 Ų | 140 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | trans | -84.5 | 133 | -179.2 | -65.1 | -80.4 | -145.4 | 0 | 0 | 110 | ||||
| 244 | S | 56.3 | Low | 51.4 | Low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | 179.7 | 117 | 144.1 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 245 | M | 53 | Low | 51.2 | Low | 178 Ų | 178 | 134.3 Ų | 134.3 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -78.4 | -172.8 | 165.7 | -76.5 | -81 | -163 | 0 | 0 | 110.8 | ||||
| 246 | P | 57.7 | Low | 51.5 | Low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | -132.3 | 175.1 | -50.4 | 35.2 | -19 | 0 | 0 | 0 | 111.6 | |||||
| 247 | G | 46.5 | Very low | 51.6 | Low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 170 | 103.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 248 | R | 52.8 | Low | 51.3 | Low | 242 Ų | 242 | 137.5 Ų | 137.5 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | 76.3 | 125 | 139.4 | -94.5 | 176.2 | 167.1 | -118.8 | -0.3 | 122.8 | ||||
| 249 | S | 55.1 | Low | 51.7 | Low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 77.8 | 107.2 | 139.4 | 50.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 250 | A | 50.7 | Low | 51.4 | Low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -70.9 | 163 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 251 | P | 54.3 | Low | 52.4 | Low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | -148.3 | 159.1 | 85.9 | 29.2 | -7 | 0 | 0 | 0 | 117.3 | |||||
| 252 | Y | 50.5 | Low | 52.5 | Low | 222 Ų | 222 | 140.3 Ų | 140.3 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | 15.8 | 125.4 | 147.8 | -65.1 | -90.3 | 0 | 0 | 0 | 121.3 | ||||
| 253 | Q | 55 | Low | 53 | Low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -157.1 | 113.1 | 133.4 | -69.9 | -153.4 | 1.7 | 0 | 0 | 108.6 | ||||
| 254 | A | 52.5 | Low | 53.3 | Low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | 75.7 | 112.3 | 90.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 255 | A | 51.7 | Low | 52.5 | Low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -83.6 | 155.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 256 | P | 54.8 | Low | 52.6 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -133.2 | 126.7 | 135.9 | 29.4 | -12.4 | 0 | 0 | 0 | 111.6 | ||||
| 257 | Q | 52.4 | Low | 52 | Low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | 76.1 | 105.1 | 103.9 | -62.5 | -91 | -1.7 | 0 | 0 | 114.5 | |||||
| 258 | S | 44.6 | Very low | 52.4 | Low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | 42 | 111.6 | 135.1 | 52.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 259 | N | 53.4 | Low | 52.1 | Low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -154.4 | 104.9 | 146.6 | -142.3 | 48.5 | 0 | 0 | 0 | 111 | ||||
| 260 | Y | 48.9 | Very low | 51.5 | Low | 227 Ų | 227 | 140.8 Ų | 140.8 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 128 | 166.3 | -81.8 | -85.1 | 0 | 0 | 0 | 108.8 | ||
| 261 | P | 64.5 | Low | 51.6 | Low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 123.6 | 168.7 | -5.9 | 24 | 0 | 0 | 0 | 110.4 | ||
| 262 | S | 49.1 | Very low | 51.3 | Low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133 | 166.5 | 72.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 263 | H | 63.5 | Low | 50.8 | Low | 169 Ų | 169 | 135.2 Ų | 135.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -102 | 140.6 | 164.4 | -72.3 | -80.6 | 0 | 0 | 0 | 110.2 | ||
| 264 | P | 53 | Low | 50.4 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 145.7 | -169.4 | 31.9 | -34.2 | 0 | 0 | 0 | 112.7 | A266 | P264-A266 PolarHBondContact O-N 2.99Š|
| 265 | A | 38.8 | Very low | 49.9 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 266 | A | 54 | Low | 49.7 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -103.2 | 111.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | P264 | P264-A266 PolarHBondContact O-N 2.99Š| ||
| 267 | H | 46.4 | Very low | 49.2 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -54.8 | 127 | 165.5 | -90.8 | -131.4 | 0 | 0 | 0 | 111.1 | ||||
| 268 | F | 53.8 | Low | 48.9 | Very low | 205 Ų | 205 | 131.6 Ų | 131.6 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -134.9 | 136.6 | 148.4 | -83.6 | -75.8 | 0 | 0 | 0 | 110.5 | ||||
| 269 | N | 47 | Very low | 49.4 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -69.1 | 144.8 | -162.8 | -94.3 | -33.5 | 0 | 0 | 0 | 116.1 | ||||
| 270 | M | 43.1 | Very low | 49.8 | Very low | 167 Ų | 167 | 128 Ų | 128 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | 50.1 | 113.7 | 128.3 | -49.5 | -63.1 | 161.9 | 0 | 0 | 120.5 | |||||
| 271 | A | 52.8 | Low | 50 | Low | 100 Ų | 100 | 123.1 Ų | 123.1 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | 166.3 | 153.2 | 132.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 272 | P | 47.7 | Very low | 49.7 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | -105.7 | 158.3 | -113.8 | 24.1 | -5.2 | 0 | 0 | 0 | 115.5 | M274 | P272-M274 PolarHBondContact O-N 2.86Š| |||
| 273 | S | 39 | Very low | 50.6 | Low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | -1.8 | 98.5 | 153.8 | 177.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 274 | M | 47.4 | Very low | 51 | Low | 162 Ų | 162 | 121.2 Ų | 121.2 | 80% | 0.798 | 70% | 0.697 | S | S | * | * | trans | -109.8 | 80.4 | 151.9 | -34.2 | -81.7 | 176.5 | 0 | 0 | 106.1 | P272 N276 | P272-M274 PolarHBondContact O-N 2.86Å; M274-N276 PolarHBondContact O-N 3.33Å | ||
| 275 | A | 41.2 | Very low | 51.7 | Low | 90 Ų | 90 | 118.6 Ų | 118.6 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | trans | -69 | 75.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 276 | N | 47.3 | Very low | 53.1 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 60% | 0.604 | 67% | 0.665 | S | S | * | * | trans | -104.2 | 104.7 | 166.4 | -91.7 | 26 | 0 | 0 | 0 | 107.1 | M274 C278 | M274-N276 PolarHBondContact O-N 3.33Å; N276-C278 PolarHBondContact O-N 3.44Å | ||
| 277 | S | 45.6 | Very low | 53.8 | Low | 105 Ų | 105 | 117.2 Ų | 117.2 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | trans | -37 | 109.5 | 152.2 | 36 | 0 | 0 | 0 | 0 | 108.7 | D279 | S277-D279 PolarHBondContact O-N 3.02Š| ||
| 278 | C | 45.1 | Very low | 54.7 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -73 | 81.7 | -179.8 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | N276 | N276-C278 PolarHBondContact O-N 3.44Š| ||
| 279 | D | 56.1 | Low | 55.3 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | trans | -79.4 | 124.8 | 170 | -150 | -65.5 | 0 | 0 | 0 | 107.9 | S277 E281 D282 | S277-D279 PolarHBondContact O-N 3.02Å; D279-E281 PolarHBondContact O-N 3.22Å; D279-E281 PolarHBondContact OD1-N 3.28Å; D279-D282 PolarHBondContact O-N 2.99Å | ||
| 280 | P | 61.3 | Low | 56 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.7 | -7 | 178 | -24.1 | 34.4 | 0 | 0 | 0 | 114.5 | W283 | P280-W283 PolarHBondContact O-NE1 3.4Š|
| 281 | E | 52.8 | Low | 56.8 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -14.6 | -177.7 | -100.4 | 67.5 | 159.9 | 0 | 0 | 113.3 | D279 W283 Y284 S285 | D279-E281 PolarHBondContact O-N 3.22Å; D279-E281 PolarHBondContact OD1-N 3.28Å; E281-W283 PolarHBondContact O-N 3.14Å; E281-Y284 PolarHBondContact O-N 3.31Å; E281-S285 PolarHBondContact O-N 2.87Å; E281-S285 PolarHBondContact O-OG 3.07Å |
| 282 | D | 58.6 | Low | 57.1 | Low | 65 Ų | 65 | 107.2 Ų | 107.2 | 35% | 0.348 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.6 | -32.5 | -177.9 | -124.4 | -60.2 | 0 | 0 | 0 | 111.6 | D279 K286 | D279-D282 PolarHBondContact O-N 2.99Å; D282-K286 WeakPolarHBondContact O-CB 3.33Å; D282-K286 WeakPolarHBondContact O-CD 3.38Å; D282-K286 WeakPolarHBondContact O-CG 3.39Å; D282-K286 PolarHBondContact O-N 3.05Å; D282-K286 WeakPolarHBondContact OD1-CE 3.48Å; D282-K286 IonicContact OD1-NZ 3.59Å; D282-K286 PolarHBondContact OD1-NZ 3.4Å |
| 283 | W | 69.2 | Low | 57.4 | Low | 150 Ų | 150 | 109 Ų | 109 | 57% | 0.568 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.7 | -35.4 | 177.3 | 75 | -95.5 | 0 | 0 | 0 | 111.8 | P280 E281 S287 | P280-W283 PolarHBondContact O-NE1 3.4Å; E281-W283 PolarHBondContact O-N 3.14Å; W283-S287 WeakPolarHBondContact O-CB 3.23Å; W283-S287 PolarHBondContact O-N 3.41Å; W283-S287 PolarHBondContact O-OG 2.95Å |
| 284 | Y | 70.5 | Confident | 57.9 | Low | 133 Ų | 133 | 109.6 Ų | 109.6 | 52% | 0.522 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.1 | -48 | 178.6 | -170.8 | -97.7 | 0 | 0 | 0 | 110.3 | E281 K286 S287 L288 | E281-Y284 PolarHBondContact O-N 3.31Å; Y284-K286 PolarHBondContact O-N 2.96Å; Y284-S287 PolarHBondContact O-N 2.83Å; Y284-S287 PolarHBondContact O-OG 3.26Å; Y284-L288 HydrophobicContact CD1-CD1 3.92Å; Y284-L288 HydrophobicContact CE1-CD1 3.45Å; Y284-L288 VanDerWaalsContact CE1-CD1 3.45Å; Y284-L288 HydrophobicContact CE1-CG 4.46Å; Y284-L288 PolarHBondContact O-N 3.17Å |
| 285 | S | 68.1 | Low | 58.1 | Low | 66 Ų | 66 | 107 Ų | 107 | 46% | 0.462 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.2 | -39.4 | 176.6 | -63.5 | 0 | 0 | 0 | 0 | 113 | E281 T289 | E281-S285 PolarHBondContact O-N 2.87Å; E281-S285 PolarHBondContact O-OG 3.07Å; S285-T289 WeakPolarHBondContact O-CB 3.35Å; S285-T289 PolarHBondContact O-N 2.67Å; S285-T289 PolarHBondContact O-OG1 3.14Å |
| 286 | K | 68.5 | Low | 58.2 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.6 | -36.9 | 174.7 | -71.6 | 173 | -147.4 | -59.8 | 0 | 112.1 | D282 Y284 T289 A290 | D282-K286 WeakPolarHBondContact O-CB 3.33Å; D282-K286 WeakPolarHBondContact O-CD 3.38Å; D282-K286 WeakPolarHBondContact O-CG 3.39Å; D282-K286 PolarHBondContact O-N 3.05Å; D282-K286 WeakPolarHBondContact OD1-CE 3.48Å; D282-K286 IonicContact OD1-NZ 3.59Å; D282-K286 PolarHBondContact OD1-NZ 3.4Å; Y284-K286 PolarHBondContact O-N 2.96Å; K286-T289 PolarHBondContact O-N 2.97Å; K286-A290 VanDerWaalsContact O-CB 3.29Å; K286-A290 WeakPolarHBondContact O-CB 3.46Å; K286-A290 PolarHBondContact O-N 3.43Å |
| 287 | S | 69.3 | Low | 58.4 | Low | 47 Ų | 47 | 109.8 Ų | 109.8 | 33% | 0.329 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.8 | -39.2 | 177.8 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | W283 Y284 A290 L291 | W283-S287 WeakPolarHBondContact O-CB 3.23Å; W283-S287 PolarHBondContact O-N 3.41Å; W283-S287 PolarHBondContact O-OG 2.95Å; Y284-S287 PolarHBondContact O-N 2.83Å; Y284-S287 PolarHBondContact O-OG 3.26Å; S287-A290 PolarHBondContact O-N 3.34Å; S287-L291 VanDerWaalsContact O-CG 3.32Å; S287-L291 WeakPolarHBondContact O-CG 3.41Å; S287-L291 PolarHBondContact O-N 3.49Å; S287-L291 VanDerWaalsContact O-N 3.11Å |
| 288 | L | 63.6 | Low | 58.2 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -37.8 | 172.8 | -83.1 | 168.8 | 0 | 0 | 0 | 112.5 | Y284 L291 R292 | Y284-L288 HydrophobicContact CD1-CD1 3.92Å; Y284-L288 HydrophobicContact CE1-CD1 3.45Å; Y284-L288 VanDerWaalsContact CE1-CD1 3.45Å; Y284-L288 HydrophobicContact CE1-CG 4.46Å; Y284-L288 PolarHBondContact O-N 3.17Å; L288-L291 PolarHBondContact O-N 2.67Å; L288-R292 PolarHBondContact O-N 3.22Å |
| 289 | T | 66.7 | Low | 58.4 | Low | 75 Ų | 75 | 110.7 Ų | 110.7 | 46% | 0.46 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.8 | -38.6 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | S285 K286 L291 R292 M293 | S285-T289 WeakPolarHBondContact O-CB 3.35Å; S285-T289 PolarHBondContact O-N 2.67Å; S285-T289 PolarHBondContact O-OG1 3.14Å; K286-T289 PolarHBondContact O-N 2.97Å; T289-L291 VanDerWaalsContact C-N 3.28Å; T289-L291 PolarHBondContact O-N 3.02Å; T289-R292 PolarHBondContact O-N 3.09Å; T289-R292 VanDerWaalsContact O-N 3.11Å; T289-M293 HydrophobicContact CG2-CE 3.85Å; T289-M293 PolarHBondContact O-N 2.96Å |
| 290 | A | 62.4 | Low | 57.6 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.4 | -32.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K286 S287 R292 | K286-A290 VanDerWaalsContact O-CB 3.29Å; K286-A290 WeakPolarHBondContact O-CB 3.46Å; K286-A290 PolarHBondContact O-N 3.43Å; S287-A290 PolarHBondContact O-N 3.34Å; A290-R292 VanDerWaalsContact C-N 3.32Å |
| 291 | L | 59.5 | Low | 57 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 60% | 0.602 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.7 | -21.1 | 173.3 | -71.6 | 171.1 | 0 | 0 | 0 | 113.7 | L203 S287 L288 T289 | L203-L291 HydrophobicContact CD2-CD2 3.71Å; S287-L291 VanDerWaalsContact O-CG 3.32Å; S287-L291 WeakPolarHBondContact O-CG 3.41Å; S287-L291 PolarHBondContact O-N 3.49Å; S287-L291 VanDerWaalsContact O-N 3.11Å; L288-L291 PolarHBondContact O-N 2.67Å; T289-L291 VanDerWaalsContact C-N 3.28Å; T289-L291 PolarHBondContact O-N 3.02Å |
| 292 | R | 60.1 | Low | 57 | Low | 212 Ų | 212 | 109.5 Ų | 109.5 | 80% | 0.8 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -87.7 | -8.9 | -180 | -168.5 | 175.8 | 173 | 95.2 | 0.5 | 113.3 | L288 T289 A290 N294 | L288-R292 PolarHBondContact O-N 3.22Å; T289-R292 PolarHBondContact O-N 3.09Å; T289-R292 VanDerWaalsContact O-N 3.11Å; A290-R292 VanDerWaalsContact C-N 3.32Å; R292-N294 VanDerWaalsContact C-N 3.34Å; R292-N294 PolarHBondContact O-N 3.26Å |
| 293 | M | 53.2 | Low | 56.4 | Low | 139 Ų | 139 | 113.6 Ų | 113.6 | 69% | 0.685 | 65% | 0.648 | S | S | * | * | trans | -76.7 | 87.4 | 176.3 | -63.5 | -60.7 | 164.9 | 0 | 0 | 110 | T289 P295 | T289-M293 HydrophobicContact CG2-CE 3.85Å; T289-M293 PolarHBondContact O-N 2.96Å; M293-P295 WeakPolarHBondContact O-CD 3.38Å | ||
| 294 | N | 48.5 | Very low | 56.1 | Low | 124 Ų | 124 | 115.1 Ų | 115.1 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | trans | -69.2 | 114.9 | 174.4 | -179.9 | 32.6 | 0 | 0 | 0 | 110.9 | R292 S296 | R292-N294 VanDerWaalsContact C-N 3.34Å; R292-N294 PolarHBondContact O-N 3.26Å; N294-S296 PolarHBondContact ND2-OG 3.35Å; N294-S296 VanDerWaalsContact ND2-OG 3.16Å; N294-S296 PolarHBondContact O-N 3.17Å | ||
| 295 | P | 52.9 | Low | 55.1 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | -84.1 | 92.8 | 167.1 | 31.4 | -23.7 | 0 | 0 | 0 | 108.4 | M293 H297 | M293-P295 WeakPolarHBondContact O-CD 3.38Å; P295-H297 PolarHBondContact O-N 3.2Å | ||
| 296 | S | 42.9 | Very low | 54.9 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | trans | -68.6 | 60.3 | 170.4 | -80 | 0 | 0 | 0 | 0 | 112.1 | N294 | N294-S296 PolarHBondContact ND2-OG 3.35Å; N294-S296 VanDerWaalsContact ND2-OG 3.16Å; N294-S296 PolarHBondContact O-N 3.17Å | ||
| 297 | H | 51 | Low | 54.4 | Low | 179 Ų | 179 | 126.9 Ų | 126.9 | 83% | 0.829 | 71% | 0.705 | S | S | * | * | trans | -149.4 | 115.3 | 171.6 | -52.8 | -73.9 | 0 | 0 | 0 | 112.3 | P295 | P295-H297 PolarHBondContact O-N 3.2Š| ||
| 298 | G | 42.8 | Very low | 53.8 | Low | 71 Ų | 71 | 132.9 Ų | 132.9 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 97.3 | 85.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 299 | L | 47.9 | Very low | 53.3 | Low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | 38.7 | 120.7 | 123.8 | -56 | 173 | 0 | 0 | 0 | 120.5 | |||||
| 300 | G | 40.1 | Very low | 52.6 | Low | 88 Ų | 88 | 138.2 Ų | 138.2 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | 105.9 | 103.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 301 | G | 48.3 | Very low | 52 | Low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -151.9 | 145 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 302 | P | 52.8 | Low | 51.6 | Low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -88.6 | 146.6 | -141.4 | 33.5 | -35 | 0 | 0 | 0 | 115.3 | ||||
| 303 | I | 46.8 | Very low | 51.1 | Low | 151 Ų | 151 | 139.2 Ų | 139.2 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | trans | -76.3 | 121.6 | 166.8 | -76.2 | -172.5 | 0 | 0 | 0 | 109.1 | ||||
| 304 | F | 62.1 | Low | 50.9 | Low | 183 Ų | 183 | 139.2 Ų | 139.2 | 80% | 0.803 | 82% | 0.82 | S | S | * | * | trans | -88.7 | 115.4 | 161.3 | -88.7 | -86.5 | 0 | 0 | 0 | 109.1 | ||||
| 305 | H | 50 | Low | 51.1 | Low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -88.8 | 117.9 | 169.9 | -142.4 | 82.1 | 0 | 0 | 0 | 107.6 | ||||
| 306 | Y | 63.4 | Low | 51 | Low | 220 Ų | 220 | 142.8 Ų | 142.8 | 86% | 0.863 | 84% | 0.842 | S | S | * | * | trans | -109.4 | 112.7 | 168.3 | -122.3 | -88.7 | 0 | 0 | 0 | 107.8 | ||||
| 307 | Q | 58.5 | Low | 51.6 | Low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | -81.9 | 138.7 | 173.9 | -154.1 | 163.8 | 31.3 | 0 | 0 | 108.3 | ||||
| 308 | A | 55.8 | Low | 51.7 | Low | 172 Ų | 172 | 144.9 Ų | 144.9 | 100% | 1.421 | 87% | 0.866 | S | S | * | * | trans | -66.1 | 0 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 308 of 308 residues in 878 ms
(Link to these results)