| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 36.3 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 99% | 0.985 | 81% | 0.811 | S | S | * | * | 0 | 96.9 | 0 | -77.2 | -177.3 | -89.1 | 0 | 0 | 108.9 | M815 | M1-M815 HydrophobicContact CE-SD 4.33Š| |||
| 2 | A | 30.5 | Very low | 36.4 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -105 | 107.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | L | 39.8 | Very low | 36.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | 167.1 | 75.7 | 164 | -96.2 | 163.8 | 0 | 0 | 0 | 111.5 | ||||
| 4 | T | 46.4 | Very low | 36.3 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -162.7 | 64.7 | 165.1 | 28.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | S | 38.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | 46.5 | 96.4 | 92.2 | -169 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 6 | V | 34.1 | Very low | 36.3 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | 50.3 | 63.1 | 63.1 | -162.4 | 0 | 0 | 0 | 0 | 112.6 | T8 | V6-T8 PolarHBondContact O-N 2.71Š| |||
| 7 | V | 36.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -94.7 | 77.8 | 169 | -174.5 | 0 | 0 | 0 | 0 | 110 | S9 | V7-S9 PolarHBondContact O-N 2.88Š| ||
| 8 | T | 36.3 | Very low | 36.1 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 68% | 0.681 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 121.2 | 161.1 | 39.5 | 0 | 0 | 0 | 0 | 109.3 | V6 Y10 | V6-T8 PolarHBondContact O-N 2.71Å; T8-Y10 PolarHBondContact O-N 2.79Å | ||
| 9 | S | 30 | Very low | 36 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -75.2 | 114.6 | -177.8 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | V7 | V7-S9 PolarHBondContact O-N 2.88Š| ||
| 10 | Y | 34.5 | Very low | 36.1 | Very low | 232 Ų | 232 | 136.1 Ų | 136.1 | 91% | 0.91 | 79% | 0.792 | S | S | * | * | trans | -125.8 | 149 | 161.3 | -93.5 | -88.7 | 0 | 0 | 0 | 110.7 | T8 | T8-Y10 PolarHBondContact O-N 2.79Š| ||
| 11 | K | 31 | Very low | 36 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -126.2 | 98.1 | -154.3 | 178.9 | -166.5 | 178 | -171.9 | 0 | 111.4 | ||||
| 12 | V | 36.9 | Very low | 35.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | trans | -152.1 | 143.7 | 168.2 | -170.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 13 | G | 34.6 | Very low | 35.7 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 154.6 | 78.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | M | 36.9 | Very low | 35.1 | Very low | 175 Ų | 175 | 135 Ų | 135 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | 78.2 | 121.8 | 158.9 | -52.6 | -151.9 | 75.1 | 0 | 0 | 122.1 | ||||
| 15 | S | 36.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 83.1 | 139.3 | 130.3 | -62.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 16 | G | 36.8 | Very low | 33.9 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | 98.2 | 73.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 17 | D | 33.4 | Very low | 33.9 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 76.8 | 141.7 | 70.5 | -71.3 | -45.4 | 0 | 0 | 0 | 116.1 | |||||
| 18 | I | 34.4 | Very low | 33.8 | Very low | 148 Ų | 148 | 141 Ų | 141 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 106.8 | 89.9 | 160.6 | -60.9 | 153.9 | 0 | 0 | 0 | 118.9 | ||||
| 19 | I | 34.7 | Very low | 33.6 | Very low | 138 Ų | 138 | 140 Ų | 140 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | 63.7 | 121.7 | 129 | -57.1 | 173.9 | 0 | 0 | 0 | 120.6 | |||||
| 20 | P | 38.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -91.2 | 149.7 | 161.9 | 37.2 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 21 | N | 32.6 | Very low | 33.6 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -173.5 | 117 | 160.7 | -95.1 | -27.6 | 0 | 0 | 0 | 111.5 | ||||
| 22 | N | 35.5 | Very low | 33.6 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | 159.5 | 122.7 | 120.6 | -92.4 | 4.9 | 0 | 0 | 0 | 114 | |||||
| 23 | F | 31.3 | Very low | 33.2 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | trans | 40.2 | 121.8 | 132.1 | -70.2 | -86.3 | 0 | 0 | 0 | 122.3 | ||||
| 24 | D | 27.3 | Very low | 32.9 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | 69.5 | 119.7 | 130.9 | -67 | -8.1 | 0 | 0 | 0 | 122.4 | ||||
| 25 | M | 28.9 | Very low | 32.6 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | 35.5 | 123.9 | 124.2 | -62.8 | -119.2 | 66.6 | 0 | 0 | 118.8 | |||||
| 26 | I | 30.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | -166.9 | 135.5 | 107.5 | -93 | 147.3 | 0 | 0 | 0 | 109.1 | Y28 | I26-Y28 HydrophobicContact CG2-CD2 3.89Å; I26-Y28 HydrophobicContact CG2-CE2 3.62Å | |||
| 27 | P | 34.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | trans | -90.9 | 147.8 | 176.4 | 35.5 | -32.7 | 0 | 0 | 0 | 112.2 | ||||
| 28 | Y | 34.9 | Very low | 32.6 | Very low | 218 Ų | 218 | 138 Ų | 138 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -124 | 92.1 | 168 | -90.7 | -81.5 | 0 | 0 | 0 | 113.2 | I26 | I26-Y28 HydrophobicContact CG2-CD2 3.89Å; I26-Y28 HydrophobicContact CG2-CE2 3.62Å | ||
| 29 | S | 31.2 | Very low | 33 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | -35.3 | 160.5 | 131.4 | 114 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 30 | T | 31.1 | Very low | 32.9 | Very low | 88 Ų | 88 | 135 Ų | 135 | 54% | 0.54 | 72% | 0.723 | S | S | . | * | cis | -169.5 | -173.8 | 11.6 | -86.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 31 | F | 33.6 | Very low | 33.1 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | 108.7 | 140.1 | 150.1 | -60.2 | -70.2 | 0 | 0 | 0 | 116.4 | ||||
| 32 | H | 30.8 | Very low | 33 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | cis | -167.8 | 138.1 | -31.4 | -139.1 | -135.5 | 0 | 0 | 0 | 108.8 | ||||
| 33 | T | 28.5 | Very low | 33 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 63% | 0.632 | 73% | 0.725 | S | S | * | * | 52.9 | 105 | 124.1 | -54.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 34 | A | 28.9 | Very low | 33.3 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | 77.4 | 158.4 | 122.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 35 | L | 30.3 | Very low | 33.6 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | 81.2 | 135.8 | 155.6 | -68.9 | 152.5 | 0 | 0 | 0 | 120.6 | ||||
| 36 | L | 36.4 | Very low | 33.7 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -59.2 | 160.7 | 159.9 | -65.9 | 114.2 | 0 | 0 | 0 | 110.5 | ||||
| 37 | P | 35.7 | Very low | 34.1 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | cis | -151.7 | -161.7 | 38.1 | 41.7 | -17.7 | 0 | 0 | 0 | 117.6 | ||||
| 38 | H | 35.4 | Very low | 33.9 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -30.1 | 177.1 | 159.2 | -83.6 | -64.9 | 0 | 0 | 0 | 118.7 | ||||
| 39 | P | 41 | Very low | 33.7 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | cis | -139.6 | -176.5 | -39.1 | 40.3 | -23 | 0 | 0 | 0 | 114.2 | ||||
| 40 | N | 33.5 | Very low | 33.7 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | trans | 67.9 | 160.8 | 160.1 | -72.5 | -6.3 | 0 | 0 | 0 | 116.6 | L42 | N40-L42 HydrophobicContact CB-CD1 4.43Å; N40-L42 HydrophobicContact CB-CG 4.39Å | ||
| 41 | P | 42.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | cis | -109.4 | 140.5 | 30.2 | 41.2 | -31.1 | 0 | 0 | 0 | 114.8 | ||||
| 42 | L | 32.2 | Very low | 33.8 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | 49.9 | 99 | 74 | -61.5 | 168.8 | 0 | 0 | 0 | 110.7 | N40 | N40-L42 HydrophobicContact CB-CD1 4.43Å; N40-L42 HydrophobicContact CB-CG 4.39Å | |||
| 43 | G | 34.3 | Very low | 34.1 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | cis | 124.9 | -166.8 | 46.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 44 | P | 37.5 | Very low | 34.5 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | cis | -132.5 | 156.2 | -30.2 | 38.2 | -23.5 | 0 | 0 | 0 | 113.5 | ||||
| 45 | G | 33.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 77.7 | 172.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 46 | N | 31.6 | Very low | 35.3 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | cis | -149.7 | 172 | -14.1 | -126.2 | 5.8 | 0 | 0 | 0 | 109.3 | ||||
| 47 | P | 38.3 | Very low | 35.1 | Very low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | -84.5 | -159 | -157.7 | 39.5 | -40.7 | 0 | 0 | 0 | 111.3 | ||||
| 48 | S | 30.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 79.1 | 146.2 | -177.2 | 93.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 49 | N | 30.2 | Very low | 35.1 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -164.1 | 161.8 | -2.6 | -128.2 | -8.7 | 0 | 0 | 0 | 109.5 | ||||
| 50 | I | 32.3 | Very low | 34.8 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | trans | 67.7 | 114.2 | 148.2 | -62.1 | 162.2 | 0 | 0 | 0 | 116.7 | ||||
| 51 | S | 29.8 | Very low | 35 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 28.8 | 142.7 | 123.1 | -39.3 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 52 | T | 36.4 | Very low | 34.6 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | cis | -179.3 | 149.9 | 48.1 | -27.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 53 | G | 37.3 | Very low | 34.7 | Very low | 59 Ų | 59 | 119.1 Ų | 119.1 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | cis | 174 | -177.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 54 | L | 37.2 | Very low | 34.6 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | 69.3 | 126.9 | 151.4 | -53.6 | 166.1 | 0 | 0 | 0 | 116.4 | ||||
| 55 | M | 37.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | -162.2 | 164.1 | 4.4 | -101.9 | -173.8 | 161.9 | 0 | 0 | 107.2 | ||||
| 56 | L | 38.2 | Very low | 34.5 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | cis | -146.9 | 171.7 | 5 | -113.8 | 159.2 | 0 | 0 | 0 | 110.7 | ||||
| 57 | T | 32 | Very low | 34.7 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | trans | -39.2 | 153.7 | 163.5 | 52.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 58 | A | 37.8 | Very low | 34.5 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -170 | -161.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 59 | Q | 33.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | -158 | 101.5 | 10 | -166.3 | 153.3 | -55.8 | 0 | 0 | 115.1 | ||||
| 60 | Q | 34.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 69.6 | 160.4 | 137.5 | -86.7 | -161.3 | -5.8 | 0 | 0 | 122.6 | ||||
| 61 | P | 38.2 | Very low | 35.1 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | -143.6 | -155.2 | -126.4 | 42.5 | -19 | 0 | 0 | 0 | 115.8 | |||||
| 62 | N | 33.8 | Very low | 35.3 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | 91.2 | 134.2 | 161.7 | -64.2 | -20.6 | 0 | 0 | 0 | 119.1 | ||||
| 63 | G | 33.5 | Very low | 35 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 138.2 | 73 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 64 | Q | 32.4 | Very low | 34.8 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 52.4 | 121.2 | 140 | -65 | 168 | -26.4 | 0 | 0 | 121.2 | ||||
| 65 | N | 31.6 | Very low | 34.4 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 46.7 | 127.8 | 152.7 | -69.6 | -18.7 | 0 | 0 | 0 | 119.5 | ||||
| 66 | P | 37.9 | Very low | 34.3 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -147.2 | 169.5 | 100.8 | 36.8 | -21.1 | 0 | 0 | 0 | 116.7 | |||||
| 67 | Y | 35.3 | Very low | 33.9 | Very low | 224 Ų | 224 | 140 Ų | 140 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -45 | 145.2 | 160.6 | -91.3 | -115.4 | 0 | 0 | 0 | 113.3 | P69 | Y67-P69 VanDerWaalsContact O-CD 3.25Å; Y67-P69 WeakPolarHBondContact O-CD 3.25Å | ||
| 68 | C | 33.8 | Very low | 34 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.9 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 69 | P | 35.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 168.5 | 163.2 | 7.1 | 16.6 | 0 | 0 | 0 | 111.7 | Y67 | Y67-P69 VanDerWaalsContact O-CD 3.25Å; Y67-P69 WeakPolarHBondContact O-CD 3.25Å |
| 70 | P | 34 | Very low | 33.4 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 149.6 | -171.8 | 32.5 | -35.8 | 0 | 0 | 0 | 114.2 | ||
| 71 | I | 36.6 | Very low | 33.3 | Very low | 171 Ų | 171 | 144 Ų | 144 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129.5 | 179.1 | -64.4 | 175.1 | 0 | 0 | 0 | 110.9 | ||
| 72 | T | 33.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | -111.8 | 156.8 | 171.5 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 73 | L | 30.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -46.2 | 149.8 | -175.8 | -63.2 | 155.4 | 0 | 0 | 0 | 116.7 | ||||
| 74 | T | 33 | Very low | 33.1 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -147.6 | 150.1 | 149 | 27.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 75 | N | 29.9 | Very low | 33.2 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 158.5 | -168.6 | -64.2 | -21.5 | 0 | 0 | 0 | 115 | ||||
| 76 | G | 34.7 | Very low | 33.3 | Very low | 80 Ų | 80 | 149.1 Ų | 149.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -148.9 | 112.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 77 | Y | 28.8 | Very low | 32.9 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 144.3 | 177.2 | -78.7 | -106.6 | 0 | 0 | 0 | 111.6 | ||||
| 78 | Y | 34.3 | Very low | 32.8 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -159.1 | 141.2 | 136.2 | -98.3 | -69.1 | 0 | 0 | 0 | 110.1 | ||||
| 79 | T | 29.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -109.4 | 144.9 | -173 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 80 | N | 30.4 | Very low | 32.5 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -152 | 156.3 | 149.3 | -146.3 | -29.6 | 0 | 0 | 0 | 110.7 | ||||
| 81 | V | 33.1 | Very low | 32.2 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 65% | 0.648 | 80% | 0.801 | S | S | * | * | trans | -129.5 | 157.4 | -153.5 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 82 | N | 33.9 | Very low | 32 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 95.7 | 116.9 | 173.5 | -54.6 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 83 | Y | 33 | Very low | 32 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | cis | -146.6 | 162.2 | 36 | -101.4 | -92.6 | 0 | 0 | 0 | 112.4 | ||||
| 84 | P | 34.2 | Very low | 32.1 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | trans | -108.8 | 144 | -170.6 | 37.5 | -26.9 | 0 | 0 | 0 | 114.6 | ||||
| 85 | H | 34.9 | Very low | 32.4 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | -171.1 | 153.8 | 124 | -121.1 | -88 | 0 | 0 | 0 | 112.5 | |||||
| 86 | N | 32.5 | Very low | 32.6 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 71.9 | 75.7 | 164.3 | -51.9 | -14.2 | 0 | 0 | 0 | 116.7 | ||||
| 87 | A | 30.8 | Very low | 32.5 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -101.6 | 125.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | E | 32.4 | Very low | 32.8 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -140.7 | 123.1 | 138 | -81.5 | -159.8 | 163.5 | 0 | 0 | 107.9 | ||||
| 89 | S | 29.7 | Very low | 32.8 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -155.1 | 104.4 | 179.5 | -72.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 90 | F | 33.1 | Very low | 33 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -92.2 | 112.3 | 173.2 | -88.7 | -84.1 | 0 | 0 | 0 | 110.4 | ||||
| 91 | C | 28.7 | Very low | 33.1 | Very low | 115 Ų | 115 | 146 Ų | 146 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -68.4 | 150.9 | 161.1 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 92 | Y | 31.3 | Very low | 33 | Very low | 231 Ų | 231 | 147.7 Ų | 147.7 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -123.4 | 132.2 | 161.4 | -140.7 | -89.3 | 0 | 0 | 0 | 109.4 | ||||
| 93 | V | 33 | Very low | 32.9 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 141.5 | -177 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 94 | Q | 32.4 | Very low | 32.8 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 127.5 | 177.9 | -170.8 | 175.6 | 3.4 | 0 | 0 | 109.9 | ||
| 95 | P | 39.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 137.5 | 169.7 | 7 | 10 | 0 | 0 | 0 | 110.6 | ||
| 96 | N | 34.3 | Very low | 32.5 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 149.2 | 173.6 | -76.7 | -26 | 0 | 0 | 0 | 111.7 | ||
| 97 | D | 32.6 | Very low | 32.5 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.2 | 171.2 | -63.7 | -63.3 | 0 | 0 | 0 | 112.7 | ||
| 98 | A | 35.8 | Very low | 32.2 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -153.9 | 98.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 99 | N | 33.2 | Very low | 32.4 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 125.6 | 160.7 | -79 | -55.7 | 0 | 0 | 0 | 109 | ||||
| 100 | S | 34.5 | Very low | 32.5 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 170 | 151 | 130.8 | -81.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 101 | I | 33.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 74.4 | 92.6 | 161.4 | -50.7 | 130.2 | 0 | 0 | 0 | 116.8 | ||||
| 102 | L | 31.1 | Very low | 32.7 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | 53.8 | 129 | 117.6 | -119.9 | 83.6 | 0 | 0 | 0 | 121.4 | |||||
| 103 | N | 30.6 | Very low | 32.7 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | 79.6 | 139.2 | 145.2 | -75.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 104 | A | 30.9 | Very low | 32.7 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | 83.9 | 94.6 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 105 | Y | 30.5 | Very low | 32.9 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | 75.1 | 120.7 | 126 | -67 | -61.8 | 0 | 0 | 0 | 122.3 | |||||
| 106 | H | 32.8 | Very low | 32.5 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 73% | 0.731 | 78% | 0.775 | S | S | * | * | trans | 73.4 | 112.8 | 131.7 | -83.3 | -58 | 0 | 0 | 0 | 122.6 | ||||
| 107 | T | 32.7 | Very low | 32.5 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | 87.9 | 114.4 | 123.2 | -54.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 108 | Y | 23.3 | Very low | 32.4 | Very low | 216 Ų | 216 | 139 Ų | 139 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -62.6 | 156.9 | 163.4 | -66.8 | -91 | 0 | 0 | 0 | 112.3 | ||||
| 109 | P | 36.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -133.9 | 157.4 | 125.6 | 36.2 | -26.6 | 0 | 0 | 0 | 114.6 | |||||
| 110 | T | 32.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -94.3 | 152.8 | -176.6 | 45.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 111 | S | 29.8 | Very low | 32.3 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 57.7 | 126.9 | 140.8 | 62.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 112 | I | 35.8 | Very low | 32.3 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | 170.8 | 145.5 | 147.7 | -94.6 | 150.8 | 0 | 0 | 0 | 107.2 | ||||
| 113 | N | 31.7 | Very low | 32.3 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -161.5 | 172.3 | -31.5 | -155.2 | -21 | 0 | 0 | 0 | 108.1 | ||||
| 114 | L | 33.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 141 Ų | 141 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | -72.6 | 169.9 | -175.6 | -74.5 | 63.7 | 0 | 0 | 0 | 113.9 | ||||
| 115 | P | 36.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | -140.1 | 144.2 | 95 | 29.3 | -11 | 0 | 0 | 0 | 113.8 | |||||
| 116 | L | 31.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | 86.1 | 105.1 | 49.4 | -84.8 | 166.9 | 0 | 0 | 0 | 116.2 | ||||
| 117 | Q | 33.2 | Very low | 32.7 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -179.7 | 113 | 143.6 | -104.5 | 170.1 | -22.2 | 0 | 0 | 107.7 | ||||
| 118 | A | 30.1 | Very low | 32.8 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | 96.6 | 103.4 | 26.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 119 | T | 35.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -153.9 | 119.7 | 153 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | H | 32.5 | Very low | 33.3 | Very low | 183 Ų | 183 | 141 Ų | 141 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | 50.3 | 128.8 | 152.2 | -91.2 | -116.3 | 0 | 0 | 0 | 119.3 | ||||
| 121 | I | 35.4 | Very low | 33.5 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | cis | -150.6 | 147.6 | 46.1 | -69.5 | 173 | 0 | 0 | 0 | 111.3 | ||||
| 122 | S | 33.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 139.5 | 176.3 | -50.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 123 | C | 29.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | 52.6 | 117.6 | 74.2 | -77.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 124 | D | 34.6 | Very low | 33.9 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | -169.8 | 160 | 120.9 | -121.9 | -27.4 | 0 | 0 | 0 | 116.7 | |||||
| 125 | K | 34.4 | Very low | 34.1 | Very low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | trans | 72 | 103.6 | 174.2 | -57.9 | 178.6 | -175.8 | 178.9 | 0 | 117 | ||||
| 126 | L | 32.2 | Very low | 34.1 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 69.3 | 112.4 | 54.2 | -60 | 171.8 | 0 | 0 | 0 | 115.5 | |||||
| 127 | Y | 32.1 | Very low | 34.3 | Very low | 230 Ų | 230 | 140.9 Ų | 140.9 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | -156.8 | 150.3 | 110.2 | -122.1 | -85.3 | 0 | 0 | 0 | 111.9 | |||||
| 128 | T | 36.2 | Very low | 34.6 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | trans | -136 | 144.7 | -167.9 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 129 | S | 35.5 | Very low | 35.1 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 179.6 | 116 | 139.5 | 53.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 130 | N | 34.9 | Very low | 35.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | 76.2 | 141.8 | 54.7 | -76.4 | -5 | 0 | 0 | 0 | 116 | |||||
| 131 | N | 36.7 | Very low | 35.7 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 98.5 | 138.3 | 161.7 | -62.5 | -12.2 | 0 | 0 | 0 | 118 | ||||
| 132 | H | 37.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -174.9 | 160 | -20.7 | -144.6 | -60.1 | 0 | 0 | 0 | 109.8 | ||||
| 133 | I | 36.2 | Very low | 36.1 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | trans | 71.4 | 127.9 | 158.3 | -51.9 | 172.9 | 0 | 0 | 0 | 116.2 | ||||
| 134 | S | 31.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | cis | 96.8 | 138.6 | 12.2 | -159.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 135 | N | 37.1 | Very low | 36.5 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 66.5 | 157.5 | 168.8 | -81.7 | -20.4 | 0 | 0 | 0 | 119.1 | ||||
| 136 | N | 36.3 | Very low | 36.8 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | cis | -171.2 | 156.2 | -37.6 | -133.3 | -24.7 | 0 | 0 | 0 | 109.5 | ||||
| 137 | N | 36.7 | Very low | 37 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | trans | 47.3 | 123.3 | 153.8 | -57.3 | -30.5 | 0 | 0 | 0 | 121.5 | ||||
| 138 | N | 38.4 | Very low | 37 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | 165.2 | 150 | 86.4 | -110.6 | -33.1 | 0 | 0 | 0 | 116.5 | |||||
| 139 | H | 41.1 | Very low | 37 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | 83.3 | 112.4 | 142 | -86.5 | 29.1 | 0 | 0 | 0 | 124.2 | ||||
| 140 | N | 39 | Very low | 36.9 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | 97 | 102.5 | 120.9 | -69.6 | 3.2 | 0 | 0 | 0 | 123.3 | |||||
| 141 | H | 41 | Very low | 36.6 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | 109 | 127.5 | 110.4 | -95.8 | 19.8 | 0 | 0 | 0 | 121.4 | |||||
| 142 | N | 38.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | 85.2 | 130.2 | 140.6 | -64.6 | -10.5 | 0 | 0 | 0 | 121.8 | ||||
| 143 | H | 37.6 | Very low | 36 | Very low | 167 Ų | 167 | 126 Ų | 126 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | 118.3 | 67.2 | 114.9 | -61.9 | -33.8 | 0 | 0 | 0 | 123.8 | |||||
| 144 | I | 36.6 | Very low | 35.8 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | 74.6 | 162.5 | 153.5 | -61.4 | -177.6 | 0 | 0 | 0 | 115.9 | ||||
| 145 | T | 36.7 | Very low | 35.7 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | -170.3 | 152.6 | -50.4 | -71.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 146 | A | 39.6 | Very low | 35.5 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | trans | 80.8 | 125.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 147 | Q | 37.9 | Very low | 35.3 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 89% | 0.888 | 69% | 0.688 | S | S | * | * | trans | 80.5 | 135.3 | 137.6 | -68.3 | 170.8 | -7.8 | 0 | 0 | 122 | ||||
| 148 | N | 32 | Very low | 35.2 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -64.4 | -172.4 | 175.3 | -54.4 | -32 | 0 | 0 | 0 | 112.7 | G194 | N148-G194 CarbonylContact C-O 3.58Š| ||
| 149 | P | 36.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 44% | 0.435 | 69% | 0.69 | S | S | . | * | cis | -146.7 | 175.6 | 6.4 | 45.2 | -26.7 | 0 | 0 | 0 | 118.7 | Q193 G194 | P149-Q193 CarbonylContact O-C 3.55Å; P149-G194 CarbonylContact C-O 3.59Å; P149-G194 WeakPolarHBondContact CA-O 3.34Å; P149-G194 VanDerWaalsContact N-O 3.09Å; P149-G194 CarbonylContact O-C 3.57Å; P149-G194 WeakPolarHBondContact O-CA 3.2Å; P149-G194 PolarHBondContact O-N 3.34Å | ||
| 150 | L | 32.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | trans | 79.8 | -172.8 | 150.2 | -74.5 | 165.1 | 0 | 0 | 0 | 122 | S192 G194 | L150-S192 WeakPolarHBondContact CB-O 3Å; L150-G194 VanDerWaalsContact C-N 3.28Å; L150-G194 PolarHBondContact O-N 3.04Å | ||
| 151 | L | 29.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | -121.4 | 165.4 | -129.5 | -159.3 | 81 | 0 | 0 | 0 | 115.2 | Q193 | L151-Q193 PolarHBondContact O-N 3.48Å; L151-Q193 PolarHBondContact O-NE2 3.37Å; L151-Q193 PolarHBondContact O-OE1 3.24Å | |||
| 152 | S | 30.2 | Very low | 34.1 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 50% | 0.503 | 70% | 0.703 | S | S | . | * | trans | 96.5 | 164.7 | 159.9 | 93.9 | 0 | 0 | 0 | 0 | 118.3 | Q193 | S152-Q193 PolarHBondContact O-NE2 2.78Å; S152-Q193 PolarHBondContact OG-OE1 3.32Å | ||
| 153 | T | 29.9 | Very low | 34 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | cis | -168.1 | -178.5 | -40 | -76.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 154 | I | 31.9 | Very low | 34 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | 91.6 | 87.9 | 161.5 | -51.3 | -174.5 | 0 | 0 | 0 | 118.8 | ||||
| 155 | N | 30.2 | Very low | 34 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | 84.8 | 132.9 | 109.2 | -144 | 26 | 0 | 0 | 0 | 124.6 | |||||
| 156 | T | 33.2 | Very low | 34 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | trans | 81.1 | 131.9 | 141.9 | 27 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 157 | N | 32.8 | Very low | 33.8 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | 74.9 | 132.6 | 148 | -56.3 | -24 | 0 | 0 | 0 | 117.8 | ||||
| 158 | H | 33.1 | Very low | 33.9 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | cis | -176.2 | 159.2 | 27.8 | -154.6 | -145.2 | 0 | 0 | 0 | 111.7 | ||||
| 159 | I | 33.4 | Very low | 34.5 | Very low | 131 Ų | 131 | 133 Ų | 133 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | trans | 64.3 | 128.4 | 162.8 | -40.7 | -169.5 | 0 | 0 | 0 | 117.3 | ||||
| 160 | T | 32.4 | Very low | 34.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | cis | 124.6 | 146.7 | 4.7 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 161 | M | 37.4 | Very low | 34.6 | Very low | 168 Ų | 168 | 140 Ų | 140 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | trans | 95.9 | 133.7 | 177.9 | -58.1 | -60.4 | -176 | 0 | 0 | 115.9 | ||||
| 162 | N | 34 | Very low | 35.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | cis | -158 | 153.8 | -17.9 | -169.2 | 13.1 | 0 | 0 | 0 | 110.1 | ||||
| 163 | N | 35.8 | Very low | 35.6 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -96.5 | 168.1 | -178.9 | -64.4 | -40.2 | 0 | 0 | 0 | 112.5 | ||||
| 164 | N | 37.6 | Very low | 36.3 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | 168.5 | 153.8 | 104.4 | -85.7 | -36.4 | 0 | 0 | 0 | 116.2 | |||||
| 165 | N | 37.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | 68.7 | 136.2 | 165.5 | -63.6 | -14.2 | 0 | 0 | 0 | 118 | ||||
| 166 | Y | 36.5 | Very low | 36.8 | Very low | 221 Ų | 221 | 152.9 Ų | 152.9 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | cis | -113.7 | 142.8 | 16 | -96.3 | -103.4 | 0 | 0 | 0 | 114.8 | ||||
| 167 | N | 35.4 | Very low | 37 | Very low | 105 Ų | 105 | 157.4 Ų | 157.4 | 56% | 0.561 | 79% | 0.788 | S | S | * | * | trans | -98.5 | 150.6 | 162 | -75.3 | -66.3 | 0 | 0 | 0 | 109.4 | ||||
| 168 | D | 41.3 | Very low | 37 | Very low | 174 Ų | 174 | 159.5 Ų | 159.5 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | -147 | 103.6 | 126.2 | -102.2 | -30.4 | 0 | 0 | 0 | 108.5 | |||||
| 169 | K | 43 | Very low | 37.3 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -116.7 | 148.2 | 171.7 | -68.1 | 178.6 | 176.5 | 175.4 | 0 | 107.6 | ||||
| 170 | N | 35.6 | Very low | 37.2 | Very low | 144 Ų | 144 | 155.9 Ų | 155.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 153.9 | 105 | 120.5 | -76.3 | -27.7 | 0 | 0 | 0 | 109.8 | |||||
| 171 | E | 37.2 | Very low | 37.4 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -168.6 | 31.2 | 144.7 | -152 | 56.6 | -142.6 | 0 | 0 | 111.9 | ||
| 172 | L | 39.9 | Very low | 37.1 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -140.2 | 65.1 | -177.7 | -99.1 | 168.2 | 0 | 0 | 0 | 110.7 | ||||
| 173 | G | 39.7 | Very low | 37.1 | Very low | 72 Ų | 72 | 158.2 Ų | 158.2 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -140.6 | 13.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 174 | K | 44 | Very low | 37 | Very low | 208 Ų | 208 | 157.8 Ų | 157.8 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -136.2 | 16.1 | -173.4 | -93.1 | -174 | 176.6 | 178.2 | 0 | 116.9 | ||
| 175 | R | 37.9 | Very low | 36.6 | Very low | 249 Ų | 249 | 157.9 Ų | 157.9 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | -133.9 | 66.2 | 170.3 | -64.1 | -172.7 | 83.7 | -168.5 | 6.9 | 111.3 | ||||
| 176 | L | 36.3 | Very low | 36.3 | Very low | 175 Ų | 175 | 157.5 Ų | 157.5 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -138.4 | 47.7 | 177.4 | -103.4 | 166.8 | 0 | 0 | 0 | 111.5 | ||||
| 177 | E | 37.2 | Very low | 36.1 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -155.6 | 72.1 | 168.6 | -144.8 | 171.8 | -142.2 | 0 | 0 | 111.2 | ||||
| 178 | M | 32.8 | Very low | 36 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -174.3 | 56.6 | 157.6 | -109.1 | -161.7 | -57.5 | 0 | 0 | 112 | ||||
| 179 | I | 38.4 | Very low | 35.5 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | trans | -129.8 | 94.9 | 148.6 | -61.5 | -176 | 0 | 0 | 0 | 106.1 | V181 | I179-V181 HydrophobicContact CG2-CG2 4.35Å; I179-V181 PolarHBondContact O-N 2.8Å | ||
| 180 | G | 31.9 | Very low | 35.1 | Very low | 75 Ų | 75 | 154.9 Ų | 154.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -67.6 | 94.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E182 | G180-E182 PolarHBondContact O-N 3.03Š| ||
| 181 | V | 35.6 | Very low | 35 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 98.4 | 157.7 | 177.2 | 0 | 0 | 0 | 0 | 106 | I179 K183 | I179-V181 HydrophobicContact CG2-CG2 4.35Å; I179-V181 PolarHBondContact O-N 2.8Å; V181-K183 PolarHBondContact O-N 2.82Å | ||
| 182 | E | 32.3 | Very low | 35 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 97 | 173.7 | -72.9 | -170.4 | 142.1 | 0 | 0 | 110.1 | G180 | G180-E182 PolarHBondContact O-N 3.03Š| ||
| 183 | K | 33.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -91.6 | 92.1 | 151.7 | -77.9 | -175.6 | 174.5 | -180 | 0 | 107.6 | V181 N185 | V181-K183 PolarHBondContact O-N 2.82Å; K183-N185 PolarHBondContact O-N 2.91Å | ||
| 184 | S | 33.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -68.2 | 80.8 | 165.6 | 29.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 185 | N | 29.5 | Very low | 34 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -90.3 | 163.4 | 166 | -93.4 | -12.7 | 0 | 0 | 0 | 110.7 | K183 | K183-N185 PolarHBondContact O-N 2.91Š| ||
| 186 | S | 31.2 | Very low | 34.1 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 72.1 | 107.7 | 165.7 | 66.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 187 | L | 32.2 | Very low | 34.1 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | -145.6 | 128.8 | 126 | -147.5 | 84.3 | 0 | 0 | 0 | 109.5 | |||||
| 188 | L | 34.2 | Very low | 34.1 | Very low | 131 Ų | 131 | 129 Ų | 129 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | trans | 71.8 | 105.1 | 165.9 | -43.6 | -175.8 | 0 | 0 | 0 | 118.8 | ||||
| 189 | D | 31 | Very low | 34.2 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | 43.5 | 140.1 | 102.1 | -44 | -27.3 | 0 | 0 | 0 | 118.3 | |||||
| 190 | E | 33.6 | Very low | 34 | Very low | 173 Ų | 173 | 124 Ų | 124 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | cis | -160.2 | 162.1 | 9.3 | -141.7 | -169.6 | 145.6 | 0 | 0 | 111.6 | ||||
| 191 | S | 33.6 | Very low | 34.1 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | 69.8 | 114.6 | 151 | 67.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 192 | S | 37.4 | Very low | 34 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | 94.5 | 94.9 | 127 | -58.4 | 0 | 0 | 0 | 0 | 124.2 | L150 | L150-S192 WeakPolarHBondContact CB-O 3Š| |||
| 193 | Q | 33.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 51% | 0.505 | 69% | 0.69 | S | S | . | * | 63.5 | 115.2 | 114.7 | -134.6 | 71.3 | 47.4 | 0 | 0 | 125.8 | P149 L151 S152 | P149-Q193 CarbonylContact O-C 3.55Å; L151-Q193 PolarHBondContact O-N 3.48Å; L151-Q193 PolarHBondContact O-NE2 3.37Å; L151-Q193 PolarHBondContact O-OE1 3.24Å; S152-Q193 PolarHBondContact O-NE2 2.78Å; S152-Q193 PolarHBondContact OG-OE1 3.32Å | |||
| 194 | G | 33.5 | Very low | 33.7 | Very low | 20 Ų | 20 | 121.4 Ų | 121.4 | 21% | 0.206 | 69% | 0.689 | C | S | . | * | trans | 128.9 | 84.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 122 | N148 P149 L150 | N148-G194 CarbonylContact C-O 3.58Å; P149-G194 CarbonylContact C-O 3.59Å; P149-G194 WeakPolarHBondContact CA-O 3.34Å; P149-G194 VanDerWaalsContact N-O 3.09Å; P149-G194 CarbonylContact O-C 3.57Å; P149-G194 WeakPolarHBondContact O-CA 3.2Å; P149-G194 PolarHBondContact O-N 3.34Å; L150-G194 VanDerWaalsContact C-N 3.28Å; L150-G194 PolarHBondContact O-N 3.04Å | ||
| 195 | I | 35.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 68% | 0.677 | 69% | 0.691 | S | S | * | * | 72.1 | 150.5 | 128.1 | -68.3 | 164.4 | 0 | 0 | 0 | 118.9 | |||||
| 196 | I | 40 | Very low | 33.7 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | cis | -157.2 | 164.3 | -28.3 | -107.2 | 174.7 | 0 | 0 | 0 | 110.6 | ||||
| 197 | D | 36.1 | Very low | 33.7 | Very low | 109 Ų | 109 | 122 Ų | 122 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | 0.1 | 130.1 | 162.7 | -65.9 | -48.9 | 0 | 0 | 0 | 123.8 | ||||
| 198 | K | 37.2 | Very low | 33.5 | Very low | 186 Ų | 186 | 120.1 Ų | 120.1 | 81% | 0.809 | 69% | 0.685 | S | S | * | * | 60.7 | 139.7 | 91 | -69.5 | 174.8 | -175.9 | 153.3 | 0 | 116.1 | |||||
| 199 | S | 34.5 | Very low | 33.3 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | cis | -173.9 | -179.5 | -1.5 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 200 | T | 35.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | 103.2 | 141.2 | 148.6 | -18.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 201 | I | 34 | Very low | 33.1 | Very low | 142 Ų | 142 | 114.5 Ų | 114.5 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | trans | 94.8 | 92.7 | 155.8 | -52.9 | -167.6 | 0 | 0 | 0 | 119.7 | ||||
| 202 | L | 31.8 | Very low | 33.1 | Very low | 148 Ų | 148 | 117.6 Ų | 117.6 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | 56.1 | 113.2 | 127 | -86.1 | 72.7 | 0 | 0 | 0 | 122.7 | |||||
| 203 | S | 28.7 | Very low | 32.5 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | 56.4 | 139.8 | 119.2 | 71.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 204 | S | 30.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | trans | 82.6 | 106.2 | 155.6 | 80.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 205 | L | 33.8 | Very low | 32.5 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | -170.4 | 155.5 | 100.3 | -119.9 | 64.9 | 0 | 0 | 0 | 110.6 | |||||
| 206 | S | 28.8 | Very low | 32.7 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -104.9 | 168.1 | -177.4 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 207 | S | 31.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 71.2 | 146.4 | 175.3 | 75 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 208 | T | 29 | Very low | 32.3 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | cis | -155.1 | 152.2 | 18.9 | -33.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 209 | S | 29.9 | Very low | 32.2 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | 36.7 | 137.7 | 145.5 | 64.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 210 | T | 31.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | cis | -170.4 | 154.4 | 47.8 | -41.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 211 | S | 28.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -36.1 | 138.8 | 172.7 | -34.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 212 | T | 33.1 | Very low | 32.2 | Very low | 152 Ų | 152 | 131 Ų | 131 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | -159.8 | 142.2 | 124.4 | 12.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 213 | T | 26.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -78.2 | 147.5 | -175.1 | -42.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 214 | T | 33.5 | Very low | 33 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | 170.6 | 111.1 | 120.1 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 215 | T | 31.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | 24.1 | 116.2 | 145.6 | -33 | 0 | 0 | 0 | 0 | 121 | ||||
| 216 | I | 40.3 | Very low | 34.1 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | -168.2 | 142.7 | 125.5 | -94.8 | 150.5 | 0 | 0 | 0 | 108.9 | |||||
| 217 | N | 33.7 | Very low | 35.2 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -75.8 | 123.9 | -171.6 | -59.3 | -27 | 0 | 0 | 0 | 113.1 | ||||
| 218 | T | 34.4 | Very low | 36.4 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -164.6 | 86.2 | 148.3 | 27.7 | 0 | 0 | 0 | 0 | 109.4 | G220 | T218-G220 PolarHBondContact O-N 3.32Å; T218-G220 VanDerWaalsContact O-N 3.1Å | ||
| 219 | H | 34.6 | Very low | 38.4 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -79.5 | 92.3 | 171.7 | -92.2 | -72.4 | 0 | 0 | 0 | 110.3 | ||||
| 220 | G | 33.9 | Very low | 41 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -81 | 121.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T218 N222 | T218-G220 PolarHBondContact O-N 3.32Å; T218-G220 VanDerWaalsContact O-N 3.1Å; G220-N222 PolarHBondContact O-N 3.44Å | ||
| 221 | E | 34.2 | Very low | 43.7 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -77 | 88.3 | 174.2 | -66.6 | -173.8 | 140.9 | 0 | 0 | 109.6 | E223 | E221-E223 PolarHBondContact O-N 3.02Š| ||
| 222 | N | 36.5 | Very low | 46.8 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | trans | -68.1 | 119.1 | 163.4 | -93.1 | -34.5 | 0 | 0 | 0 | 108.7 | G220 N224 | G220-N222 PolarHBondContact O-N 3.44Å; N222-N224 PolarHBondContact O-N 2.94Å | ||
| 223 | E | 42.2 | Very low | 49.6 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -58 | 126.3 | -174.6 | -62.5 | -163.8 | 152.7 | 0 | 0 | 112.4 | E221 I225 | E221-E223 PolarHBondContact O-N 3.02Å; E223-I225 VanDerWaalsContact C-N 3.28Å; E223-I225 HydrophobicContact CB-CG1 3.84Å; E223-I225 PolarHBondContact O-N 3.1Å | ||
| 224 | N | 34.4 | Very low | 52.8 | Low | 149 Ų | 149 | 120.8 Ų | 120.8 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -74.2 | 90.2 | 157 | -116.2 | -95.6 | 0 | 0 | 0 | 107.6 | N222 Q226 | N222-N224 PolarHBondContact O-N 2.94Å; N224-Q226 PolarHBondContact O-N 3.39Å | ||
| 225 | I | 43.2 | Very low | 55.7 | Low | 122 Ų | 122 | 116.4 Ų | 116.4 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | trans | -72.9 | 66 | 173.4 | -51.7 | 178 | 0 | 0 | 0 | 109.2 | E223 Q227 | E223-I225 VanDerWaalsContact C-N 3.28Å; E223-I225 HydrophobicContact CB-CG1 3.84Å; E223-I225 PolarHBondContact O-N 3.1Å; I225-Q227 HydrophobicContact CG2-CG 3.91Å; I225-Q227 PolarHBondContact O-N 3.08Å | ||
| 226 | Q | 44.4 | Very low | 58.7 | Low | 152 Ų | 152 | 111 Ų | 111 | 71% | 0.71 | 59% | 0.591 | S | S | * | * | trans | -88.2 | 92.2 | 154.6 | -171 | 134.3 | 2 | 0 | 0 | 105.7 | N224 N228 | N224-Q226 PolarHBondContact O-N 3.39Å; Q226-N228 PolarHBondContact O-N 3.09Å | ||
| 227 | Q | 53.4 | Low | 61.3 | Low | 151 Ų | 151 | 103.3 Ų | 103.3 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | trans | -55.4 | 111.4 | 178.6 | -72.4 | -179 | -10.2 | 0 | 0 | 108.7 | I225 T229 | I225-Q227 HydrophobicContact CG2-CG 3.91Å; I225-Q227 PolarHBondContact O-N 3.08Å; Q227-T229 PolarHBondContact O-N 3.28Å | ||
| 228 | N | 55.3 | Low | 64 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 57% | 0.572 | 52% | 0.515 | S | S | * | . | trans | -68.7 | 84.1 | 176.9 | -79.3 | -32.1 | 0 | 0 | 0 | 109 | Q226 S230 L387 | Q226-N228 PolarHBondContact O-N 3.09Å; N228-S230 PolarHBondContact O-N 3.06Å; N228-L387 HydrophobicContact CB-CD1 4.35Å | ||
| 229 | T | 72 | Confident | 66.7 | Low | 106 Ų | 106 | 91.4 Ų | 91.4 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | trans | -72.6 | 15.8 | 173 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | Q227 L231 | Q227-T229 PolarHBondContact O-N 3.28Å; T229-L231 PolarHBondContact O-N 3.38Å | ||
| 230 | S | 84.6 | Confident | 69.2 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 40% | 0.399 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 121.7 | 174.1 | -62 | 0 | 0 | 0 | 0 | 110.2 | N228 L232 L387 | N228-S230 PolarHBondContact O-N 3.06Å; S230-L232 PolarHBondContact O-N 2.72Å; S230-L387 VanDerWaalsContact CB-CD2 3.41Å |
| 231 | L | 88.9 | Confident | 71.8 | Confident | 122 Ų | 122 | 87.9 Ų | 87.9 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 121.2 | 175.9 | -63.3 | 176.7 | 0 | 0 | 0 | 109.6 | T229 T282 | T229-L231 PolarHBondContact O-N 3.38Å; L231-T282 HydrophobicContact CD2-CG2 4.23Å |
| 232 | L | 92 | Very high | 74.5 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 149.8 | 172.5 | -69.6 | 173.3 | 0 | 0 | 0 | 110.1 | S230 T280 G281 I286 C383 F386 L387 | S230-L232 PolarHBondContact O-N 2.72Å; L232-T280 WeakPolarHBondContact O-CA 3.3Å; L232-G281 PolarHBondContact N-O 2.75Å; L232-G281 PolarHBondContact O-N 2.69Å; L232-G281 VanDerWaalsContact O-N 3.13Å; L232-I286 HydrophobicContact CB-CD1 3.63Å; L232-C383 HydrophobicContact CD1-CB 3.56Å; L232-F386 HydrophobicContact CD2-CB 4.16Å; L232-L387 HydrophobicContact CD1-CD1 4.33Å; L232-L387 HydrophobicContact CD1-CD2 4.29Å; L232-L387 HydrophobicContact CD1-CG 4.07Å; L232-L387 HydrophobicContact CD2-CD2 3.66Å; L232-L387 HydrophobicContact CD2-CG 4.05Å; L232-L387 HydrophobicContact CG-CD2 3.98Å; L232-L387 HydrophobicContact CG-CG 4.3Å |
| 233 | V | 93 | Very high | 77.1 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 53% | 0.527 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 103.8 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 108 | R235 T278 T280 | V233-R235 HydrophobicContact CG1-CG 4.41Å; V233-T278 HydrophobicContact CG1-CG2 3.69Å; V233-T280 HydrophobicContact CG2-CG2 3.87Å |
| 234 | L | 93.7 | Very high | 79.4 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.2 | 172.6 | -63.8 | -171.9 | 0 | 0 | 0 | 110 | T278 I279 I286 F290 L322 I379 F386 | L234-T278 CarbonylContact O-C 3.56Å; L234-T278 WeakPolarHBondContact O-CA 3.36Å; L234-I279 PolarHBondContact N-O 2.99Å; L234-I279 PolarHBondContact O-N 3.15Å; L234-I286 HydrophobicContact CD1-CD1 4.5Å; L234-I286 HydrophobicContact CD1-CG2 3.61Å; L234-I286 HydrophobicContact CG-CD1 4.34Å; L234-I286 HydrophobicContact CG-CG2 4.49Å; L234-F290 HydrophobicContact CD1-CE2 3.84Å; L234-F290 HydrophobicContact CD1-CZ 4.32Å; L234-L322 HydrophobicContact CB-CD1 4.11Å; L234-L322 HydrophobicContact CD1-CD1 4.45Å; L234-L322 HydrophobicContact CD2-CD1 4.34Å; L234-I379 HydrophobicContact CD1-CG2 4.18Å; L234-F386 HydrophobicContact CD2-CD2 3.8Å; L234-F386 HydrophobicContact CD2-CE2 3.68Å |
| 235 | R | 94.3 | Very high | 82.1 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | 178.1 | -62.8 | -178.3 | 73.8 | -132.3 | 0.9 | 108.7 | V233 I276 V277 T278 L322 L323 E363 Y398 | V233-R235 HydrophobicContact CG1-CG 4.41Å; R235-I276 HydrophobicContact CB-CG2 4.14Å; R235-I276 VanDerWaalsContact NH2-CD1 3.28Å; R235-V277 CarbonylContact C-O 3.01Å; R235-T278 HydrophobicContact CG-CG2 3.98Å; R235-L322 WeakPolarHBondContact O-CD1 3.46Å; R235-L323 HydrophobicContact CB-CB 4.02Å; R235-L323 HydrophobicContact CB-CD1 4.16Å; R235-L323 WeakPolarHBondContact O-CB 3.34Å; R235-L323 PolarHBondContact O-N 3.25Å; R235-E363 IonicContact CZ-OE1 3.56Å; R235-E363 IonicContact CZ-OE2 2.69Å; R235-E363 IonicContact NH1-OE1 3.85Å; R235-E363 PolarHBondContact NH1-OE1 3.49Å; R235-E363 IonicContact NH1-OE2 2.61Å; R235-E363 PolarHBondContact NH1-OE2 3.16Å; R235-Y398 PolarHBondContact NH2-O 3.46Å |
| 236 | L | 94.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 117.7 | -168.5 | 180 | 59.1 | 0 | 0 | 0 | 108.3 | M238 I276 V277 F290 L320 | L236-M238 HydrophobicContact CD1-CE 4.37Å; L236-M238 HydrophobicContact CD2-CE 3.39Å; L236-M238 HydrophobicContact CD2-SD 4.13Å; L236-M238 HydrophobicContact CG-CE 3.78Å; L236-M238 HydrophobicContact CG-CG 4.18Å; L236-M238 HydrophobicContact CG-SD 4.2Å; L236-I276 CarbonylContact O-C 3.54Å; L236-I276 WeakPolarHBondContact O-CA 3.21Å; L236-V277 HydrophobicContact CB-CB 4.32Å; L236-V277 PolarHBondContact N-O 3.42Å; L236-V277 PolarHBondContact O-N 3.49Å; L236-F290 HydrophobicContact CD2-CE1 3.93Å; L236-F290 HydrophobicContact CD2-CZ 4.15Å; L236-L320 HydrophobicContact CD1-CB 4.05Å |
| 237 | L | 93.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.1 | 178.7 | -174.8 | 66.9 | 0 | 0 | 0 | 109.1 | E274 I276 R321 L323 L358 T365 Y398 | L237-E274 HydrophobicContact CD1-CB 3.97Å; L237-I276 HydrophobicContact CD1-CG1 4Å; L237-R321 HydrophobicContact CB-CB 4.3Å; L237-R321 PolarHBondContact N-O 3.07Å; L237-L323 HydrophobicContact CB-CD1 4.32Å; L237-L323 HydrophobicContact CB-CD2 3.95Å; L237-L323 HydrophobicContact CB-CG 4.03Å; L237-L323 HydrophobicContact CD2-CD2 4.28Å; L237-L358 HydrophobicContact CD2-CD1 4.33Å; L237-T365 HydrophobicContact CD2-CG2 3.94Å; L237-Y398 HydrophobicContact CD1-CD1 4.29Å; L237-Y398 HydrophobicContact CD1-CE1 4.06Å |
| 238 | M | 91.7 | Very high | 88.5 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.6 | -176.6 | -76.7 | 176.9 | 160.5 | 0 | 0 | 110.7 | L236 E242 V243 E274 R275 V277 F297 L320 | L236-M238 HydrophobicContact CD1-CE 4.37Å; L236-M238 HydrophobicContact CD2-CE 3.39Å; L236-M238 HydrophobicContact CD2-SD 4.13Å; L236-M238 HydrophobicContact CG-CE 3.78Å; L236-M238 HydrophobicContact CG-CG 4.18Å; L236-M238 HydrophobicContact CG-SD 4.2Å; M238-E242 HydrophobicContact CB-CB 4.24Å; M238-E242 HydrophobicContact CG-CB 4.43Å; M238-V243 HydrophobicContact CB-CG2 3.37Å; M238-V243 HydrophobicContact CG-CG2 4.32Å; M238-V243 HydrophobicContact SD-CG2 4.09Å; M238-E274 CarbonylContact O-C 3.57Å; M238-E274 WeakPolarHBondContact O-CA 3.32Å; M238-R275 PolarHBondContact N-O 3.32Å; M238-R275 PolarHBondContact O-N 3.34Å; M238-R275 VanDerWaalsContact O-O 3.09Å; M238-V277 HydrophobicContact SD-CG2 3.92Å; M238-F297 HydrophobicContact CE-CE2 3.48Å; M238-F297 VanDerWaalsContact CE-CE2 3.48Å; M238-F297 HydrophobicContact CE-CZ 3.41Å; M238-F297 VanDerWaalsContact CE-CZ 3.41Å; M238-F297 HydrophobicContact SD-CZ 4.17Å; M238-L320 HydrophobicContact CE-CD2 3.59Å |
| 239 | S | 90.3 | Very high | 90.2 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 158.3 | 170 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | K241 E242 V243 | S239-K241 PolarHBondContact O-N 2.82Å; S239-K241 VanDerWaalsContact O-N 3.1Å; S239-K241 VanDerWaalsContact OG-CE 3.26Å; S239-K241 WeakPolarHBondContact OG-CE 3.3Å; S239-K241 WeakPolarHBondContact OG-CG 3.45Å; S239-E242 WeakPolarHBondContact CB-OE2 3.43Å; S239-E242 PolarHBondContact N-OE2 2.97Å; S239-E242 PolarHBondContact O-N 3.41Å; S239-E242 VanDerWaalsContact O-N 3.08Å; S239-E242 PolarHBondContact OG-OE1 3.2Å; S239-E242 PolarHBondContact OG-OE2 2.93Å; S239-V243 PolarHBondContact O-N 3.13Å |
| 240 | G | 88.2 | Confident | 91.2 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.7 | -29.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G244 P273 | G240-G244 PolarHBondContact O-N 2.84Å; G240-P273 PolarHBondContact N-O 3.19Å |
| 241 | K | 87.6 | Confident | 91.5 | Very high | 157 Ų | 157 | 53.9 Ų | 53.9 | 68% | 0.683 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.8 | -47.3 | 174.5 | 52.9 | 167.7 | -172.5 | 168.9 | 0 | 112.2 | S239 G244 S245 | S239-K241 PolarHBondContact O-N 2.82Å; S239-K241 VanDerWaalsContact O-N 3.1Å; S239-K241 VanDerWaalsContact OG-CE 3.26Å; S239-K241 WeakPolarHBondContact OG-CE 3.3Å; S239-K241 WeakPolarHBondContact OG-CG 3.45Å; K241-G244 PolarHBondContact O-N 3Å; K241-S245 PolarHBondContact O-N 3.14Å |
| 242 | E | 89.9 | Confident | 91.8 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | -179.9 | -72.7 | 137.1 | -165.5 | 0 | 0 | 110.9 | M238 S239 G244 S245 I246 F297 | M238-E242 HydrophobicContact CB-CB 4.24Å; M238-E242 HydrophobicContact CG-CB 4.43Å; S239-E242 WeakPolarHBondContact CB-OE2 3.43Å; S239-E242 PolarHBondContact N-OE2 2.97Å; S239-E242 PolarHBondContact O-N 3.41Å; S239-E242 VanDerWaalsContact O-N 3.08Å; S239-E242 PolarHBondContact OG-OE1 3.2Å; S239-E242 PolarHBondContact OG-OE2 2.93Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 3.25Å; E242-S245 WeakPolarHBondContact O-CB 3.41Å; E242-S245 PolarHBondContact O-N 3.46Å; E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 3.46Å; E242-I246 VanDerWaalsContact O-N 3.15Å; E242-F297 HydrophobicContact CB-CE1 3.81Å; E242-F297 HydrophobicContact CB-CZ 4.12Å; E242-F297 HydrophobicContact CG-CE1 4.06Å |
| 243 | V | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -32.3 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | M238 S239 I246 I247 I267 R275 V277 | M238-V243 HydrophobicContact CB-CG2 3.37Å; M238-V243 HydrophobicContact CG-CG2 4.32Å; M238-V243 HydrophobicContact SD-CG2 4.09Å; S239-V243 PolarHBondContact O-N 3.13Å; V243-I246 PolarHBondContact O-N 2.89Å; V243-I247 HydrophobicContact CG1-CD1 3.71Å; V243-I247 HydrophobicContact CG1-CG1 4.08Å; V243-I247 WeakPolarHBondContact O-CB 3.33Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.49Å; V243-I247 PolarHBondContact O-N 3.47Å; V243-I267 HydrophobicContact CG1-CD1 4.42Å; V243-I267 HydrophobicContact CG1-CG2 3.64Å; V243-R275 HydrophobicContact CG2-CB 3.98Å; V243-V277 HydrophobicContact CG2-CG2 4.11Å |
| 244 | G | 90.8 | Very high | 92 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G240 K241 E242 I247 G248 | G240-G244 PolarHBondContact O-N 2.84Å; K241-G244 PolarHBondContact O-N 3Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 3.25Å; G244-I247 PolarHBondContact O-N 2.99Å; G244-G248 PolarHBondContact O-N 3.02Å |
| 245 | S | 90.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 172.2 | -85.3 | 0 | 0 | 0 | 0 | 113.2 | K241 E242 G248 N253 D300 | K241-S245 PolarHBondContact O-N 3.14Å; E242-S245 WeakPolarHBondContact O-CB 3.41Å; E242-S245 PolarHBondContact O-N 3.46Å; S245-G248 PolarHBondContact O-N 3.09Å; S245-N253 PolarHBondContact O-ND2 2.91Å; S245-D300 WeakPolarHBondContact CB-OD2 3.46Å; S245-D300 PolarHBondContact OG-OD2 2.78Å |
| 246 | I | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -34.9 | -179.6 | -66.8 | -54.7 | 0 | 0 | 0 | 112.6 | E242 V243 N253 V254 Y257 M293 F297 | E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 3.46Å; E242-I246 VanDerWaalsContact O-N 3.15Å; V243-I246 PolarHBondContact O-N 2.89Å; I246-N253 WeakPolarHBondContact O-CB 3.45Å; I246-V254 PolarHBondContact O-N 2.92Å; I246-Y257 HydrophobicContact CB-CE2 4.48Å; I246-Y257 HydrophobicContact CD1-CE2 4.12Å; I246-Y257 HydrophobicContact CG2-CD2 4.23Å; I246-Y257 HydrophobicContact CG2-CE2 3.92Å; I246-Y257 VanDerWaalsContact O-CE2 3.3Å; I246-Y257 WeakPolarHBondContact O-CE2 3.34Å; I246-M293 HydrophobicContact CD1-CB 3.85Å; I246-M293 HydrophobicContact CD1-CG 3.93Å; I246-M293 HydrophobicContact CG2-CE 4.47Å; I246-M293 HydrophobicContact CG2-SD 4.38Å; I246-F297 HydrophobicContact CD1-CD2 4.26Å; I246-F297 HydrophobicContact CD1-CE1 4.23Å; I246-F297 HydrophobicContact CD1-CE2 3.63Å; I246-F297 HydrophobicContact CD1-CZ 3.61Å; I246-F297 HydrophobicContact CG1-CE1 4.04Å; I246-F297 HydrophobicContact CG1-CE2 3.85Å; I246-F297 HydrophobicContact CG1-CZ 3.36Å |
| 247 | I | 92.9 | Very high | 92.2 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 170.7 | -67.6 | 170.1 | 0 | 0 | 0 | 110 | V243 G244 G251 N253 V254 I267 | V243-I247 HydrophobicContact CG1-CD1 3.71Å; V243-I247 HydrophobicContact CG1-CG1 4.08Å; V243-I247 WeakPolarHBondContact O-CB 3.33Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.49Å; V243-I247 PolarHBondContact O-N 3.47Å; G244-I247 PolarHBondContact O-N 2.99Å; I247-G251 CarbonylContact O-C 3.55Å; I247-G251 VanDerWaalsContact O-C 3.25Å; I247-G251 WeakPolarHBondContact O-CA 3.2Å; I247-N253 PolarHBondContact O-N 3.19Å; I247-V254 HydrophobicContact CG2-CG1 4.3Å; I247-V254 PolarHBondContact O-N 3.07Å; I247-I267 HydrophobicContact CD1-CD1 4.16Å; I247-I267 HydrophobicContact CG1-CD1 3.57Å |
| 248 | G | 90.7 | Very high | 92.3 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | trans | 72.6 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G244 S245 R250 G251 | G244-G248 PolarHBondContact O-N 3.02Å; S245-G248 PolarHBondContact O-N 3.09Å; G248-R250 PolarHBondContact O-N 3.3Å; G248-G251 PolarHBondContact O-N 3.36Å | ||
| 249 | K | 90.8 | Very high | 92.5 | Very high | 187 Ų | 187 | 74.8 Ų | 74.8 | 81% | 0.813 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -59.6 | 136.2 | 173.8 | -63.8 | 176.4 | -175.7 | 173.3 | 0 | 108.8 | G251 E252 | K249-G251 PolarHBondContact O-N 3.32Å; K249-E252 WeakPolarHBondContact O-CB 3.43Å; K249-E252 PolarHBondContact O-N 2.82Å; K249-E252 VanDerWaalsContact O-N 3.12Å |
| 250 | R | 92.9 | Very high | 92.8 | Very high | 245 Ų | 245 | 78 Ų | 78 | 93% | 0.925 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | 56.2 | 12.8 | -177.4 | -58.6 | 177.4 | 172.4 | 175.5 | -3.4 | 116 | G248 E252 | G248-R250 PolarHBondContact O-N 3.3Å; R250-E252 VanDerWaalsContact C-N 3.28Å |
| 251 | G | 92.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 76.8 Ų | 76.8 | 19% | 0.186 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | 73.3 | 18.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I247 G248 K249 V254 R255 | I247-G251 CarbonylContact O-C 3.55Å; I247-G251 VanDerWaalsContact O-C 3.25Å; I247-G251 WeakPolarHBondContact O-CA 3.2Å; G248-G251 PolarHBondContact O-N 3.36Å; K249-G251 PolarHBondContact O-N 3.32Å; G251-V254 WeakPolarHBondContact O-CG1 3.41Å; G251-R255 WeakPolarHBondContact O-CB 3.33Å; G251-R255 PolarHBondContact O-N 3.34Å; G251-R255 VanDerWaalsContact O-N 3.07Å |
| 252 | E | 94.5 | Very high | 93.5 | Very high | 133 Ų | 133 | 71.5 Ų | 71.5 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.3 | -46.9 | -175.3 | -172.7 | 173.5 | 175.2 | 0 | 0 | 112.4 | K249 R250 V254 R255 K256 | K249-E252 WeakPolarHBondContact O-CB 3.43Å; K249-E252 PolarHBondContact O-N 2.82Å; K249-E252 VanDerWaalsContact O-N 3.12Å; R250-E252 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 3.22Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.85Å; E252-K256 PolarHBondContact O-N 3.28Å |
| 253 | N | 94.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 178.6 | -74.1 | -9.6 | 0 | 0 | 0 | 111.3 | S245 I246 I247 R255 K256 Y257 | S245-N253 PolarHBondContact O-ND2 2.91Å; I246-N253 WeakPolarHBondContact O-CB 3.45Å; I247-N253 PolarHBondContact O-N 3.19Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.12Å; N253-K256 WeakPolarHBondContact O-CB 2.74Å; N253-K256 PolarHBondContact O-N 3.34Å; N253-Y257 HydrophobicContact CB-CE2 3.96Å; N253-Y257 WeakPolarHBondContact O-CD1 3.47Å; N253-Y257 VanDerWaalsContact O-CD2 3.29Å; N253-Y257 WeakPolarHBondContact O-CD2 3.29Å; N253-Y257 PolarHBondContact O-N 3.42Å |
| 254 | V | 94.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 77.6 Ų | 77.6 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.1 | -26.5 | 179.6 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | I246 I247 G251 E252 R258 I265 I267 | I246-V254 PolarHBondContact O-N 2.92Å; I247-V254 HydrophobicContact CG2-CG1 4.3Å; I247-V254 PolarHBondContact O-N 3.07Å; G251-V254 WeakPolarHBondContact O-CG1 3.41Å; E252-V254 PolarHBondContact O-N 3.22Å; V254-R258 WeakPolarHBondContact O-CD 3.45Å; V254-R258 VanDerWaalsContact O-CG 3.29Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 3.02Å; V254-I265 HydrophobicContact CG2-CG2 4.2Å; V254-I267 HydrophobicContact CG2-CD1 3.84Å |
| 255 | R | 95.2 | Very high | 94.1 | Very high | 166 Ų | 166 | 76 Ų | 76 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66 | -52 | 169.4 | -173.7 | -174.5 | -57.8 | -178.2 | 2 | 110.3 | G251 E252 N253 Y257 R258 E259 | G251-R255 WeakPolarHBondContact O-CB 3.33Å; G251-R255 PolarHBondContact O-N 3.34Å; G251-R255 VanDerWaalsContact O-N 3.07Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.85Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.12Å; R255-Y257 VanDerWaalsContact C-N 3.31Å; R255-Y257 PolarHBondContact O-N 3.24Å; R255-R258 PolarHBondContact O-N 3.47Å; R255-R258 VanDerWaalsContact O-N 3.12Å; R255-E259 PolarHBondContact O-N 2.83Å; R255-E259 VanDerWaalsContact O-N 3.08Å |
| 256 | K | 95.5 | Very high | 94.3 | Very high | 108 Ų | 108 | 78.5 Ų | 78.5 | 47% | 0.47 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.5 | -46.8 | 176.4 | 176.6 | 175.1 | 173 | 173.8 | 0 | 111.6 | E252 N253 R258 E259 E260 | E252-K256 PolarHBondContact O-N 3.28Å; N253-K256 WeakPolarHBondContact O-CB 2.74Å; N253-K256 PolarHBondContact O-N 3.34Å; K256-R258 VanDerWaalsContact C-N 3.33Å; K256-R258 PolarHBondContact O-N 2.91Å; K256-E259 PolarHBondContact O-N 2.57Å; K256-E260 WeakPolarHBondContact CE-OE2 3.39Å; K256-E260 IonicContact NZ-OE2 2.69Å; K256-E260 WeakPolarHBondContact O-CB 3.41Å; K256-E260 PolarHBondContact O-N 3.12Å |
| 257 | Y | 95.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 79.8 Ų | 79.8 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.3 | -38 | 179.9 | -53.5 | -31.1 | 0 | 0 | 0 | 112.9 | I246 N253 R255 S261 L292 M293 K296 | I246-Y257 HydrophobicContact CB-CE2 4.48Å; I246-Y257 HydrophobicContact CD1-CE2 4.12Å; I246-Y257 HydrophobicContact CG2-CD2 4.23Å; I246-Y257 HydrophobicContact CG2-CE2 3.92Å; I246-Y257 VanDerWaalsContact O-CE2 3.3Å; I246-Y257 WeakPolarHBondContact O-CE2 3.34Å; N253-Y257 HydrophobicContact CB-CE2 3.96Å; N253-Y257 WeakPolarHBondContact O-CD1 3.47Å; N253-Y257 VanDerWaalsContact O-CD2 3.29Å; N253-Y257 WeakPolarHBondContact O-CD2 3.29Å; N253-Y257 PolarHBondContact O-N 3.42Å; R255-Y257 VanDerWaalsContact C-N 3.31Å; R255-Y257 PolarHBondContact O-N 3.24Å; Y257-S261 VanDerWaalsContact O-CB 3.24Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 2.85Å; Y257-S261 VanDerWaalsContact O-N 3.12Å; Y257-S261 PolarHBondContact O-OG 3.27Å; Y257-L292 HydrophobicContact CD1-CB 3.66Å; Y257-L292 HydrophobicContact CD1-CD1 4.21Å; Y257-L292 HydrophobicContact CE1-CB 3.88Å; Y257-M293 HydrophobicContact CD2-CE 4.15Å; Y257-M293 HydrophobicContact CD2-CG 4.08Å; Y257-M293 HydrophobicContact CE2-CG 4.13Å; Y257-K296 HydrophobicContact CE1-CG 4.32Å; Y257-K296 VanDerWaalsContact OH-CB 3.26Å; Y257-K296 WeakPolarHBondContact OH-CB 3.24Å; Y257-K296 WeakPolarHBondContact OH-CD 3.45Å; Y257-K296 WeakPolarHBondContact OH-CG 3.45Å |
| 258 | R | 95.5 | Very high | 94.2 | Very high | 105 Ų | 105 | 79.4 Ų | 79.4 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.1 | -71.4 | 167.7 | 180 | 138 | -2 | 112.2 | V254 R255 K256 G262 I265 | V254-R258 WeakPolarHBondContact O-CD 3.45Å; V254-R258 VanDerWaalsContact O-CG 3.29Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 3.02Å; R255-R258 PolarHBondContact O-N 3.47Å; R255-R258 VanDerWaalsContact O-N 3.12Å; K256-R258 VanDerWaalsContact C-N 3.33Å; K256-R258 PolarHBondContact O-N 2.91Å; R258-G262 WeakPolarHBondContact O-CA 3.39Å; R258-G262 PolarHBondContact O-N 3.04Å; R258-I265 HydrophobicContact CG-CB 3.91Å; R258-I265 HydrophobicContact CG-CD1 4.07Å; R258-I265 HydrophobicContact CG-CG1 4.28Å; R258-I265 VanDerWaalsContact CZ-O 3.27Å; R258-I265 PolarHBondContact NE-O 2.81Å; R258-I265 PolarHBondContact NH2-O 2.79Å |
| 259 | E | 96.2 | Very high | 93.9 | Very high | 157 Ų | 157 | 85.5 Ų | 85.5 | 73% | 0.734 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.7 | -49.7 | -179.8 | -174.1 | 170.3 | -172.1 | 0 | 0 | 111.9 | R255 K256 | R255-E259 PolarHBondContact O-N 2.83Å; R255-E259 VanDerWaalsContact O-N 3.08Å; K256-E259 PolarHBondContact O-N 2.57Å |
| 260 | E | 96.2 | Very high | 93.3 | Very high | 97 Ų | 97 | 78.7 Ų | 78.7 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.7 | -33.5 | -174.9 | -170.2 | 174.8 | 178.1 | 0 | 0 | 113.2 | K256 L292 | K256-E260 WeakPolarHBondContact CE-OE2 3.39Å; K256-E260 IonicContact NZ-OE2 2.69Å; K256-E260 WeakPolarHBondContact O-CB 3.41Å; K256-E260 PolarHBondContact O-N 3.12Å; E260-L292 HydrophobicContact CB-CD1 3.8Å; E260-L292 HydrophobicContact CG-CD1 3.75Å; E260-L292 WeakPolarHBondContact OE2-CD1 3.48Å; E260-L292 WeakPolarHBondContact OE2-CD2 3.42Å |
| 261 | S | 95.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -88.2 | -19.7 | 176.9 | 71.7 | 0 | 0 | 0 | 0 | 114.4 | Y257 A263 Q285 | Y257-S261 VanDerWaalsContact O-CB 3.24Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 2.85Å; Y257-S261 VanDerWaalsContact O-N 3.12Å; Y257-S261 PolarHBondContact O-OG 3.27Å; S261-A263 PolarHBondContact O-N 2.9Å; S261-A263 VanDerWaalsContact O-N 3.09Å; S261-A263 WeakPolarHBondContact OG-CB 3.3Å; S261-A263 PolarHBondContact OG-N 2.92Å; S261-Q285 WeakPolarHBondContact CB-O 3.42Å; S261-Q285 WeakPolarHBondContact O-CA 3.43Å; S261-Q285 VanDerWaalsContact O-CB 3.3Å; S261-Q285 WeakPolarHBondContact O-CB 3.34Å; S261-Q285 WeakPolarHBondContact O-CG 3Å |
| 262 | G | 94.9 | Very high | 91.9 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 47% | 0.474 | 36% | 0.362 | S | S | . | . | trans | 62.8 | 3.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R258 | R258-G262 WeakPolarHBondContact O-CA 3.39Å; R258-G262 PolarHBondContact O-N 3.04Å | ||
| 263 | A | 94.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | trans | -82.2 | 141.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S261 I265 I279 Q285 A289 | S261-A263 PolarHBondContact O-N 2.9Å; S261-A263 VanDerWaalsContact O-N 3.09Å; S261-A263 WeakPolarHBondContact OG-CB 3.3Å; S261-A263 PolarHBondContact OG-N 2.92Å; A263-I265 PolarHBondContact O-N 2.79Å; A263-I279 HydrophobicContact CB-CG2 3.92Å; A263-Q285 HydrophobicContact CB-CB 4.17Å; A263-A289 HydrophobicContact CB-CB 4.37Å | ||
| 264 | R | 95.3 | Very high | 91.2 | Very high | 178 Ų | 178 | 69.1 Ų | 69.1 | 67% | 0.672 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 95.2 | 173.8 | -178.8 | 173.6 | 177.2 | -110 | 4 | 109.8 | T280 | R264-T280 PolarHBondContact N-O 3.44Å; R264-T280 PolarHBondContact O-N 2.91Å |
| 265 | I | 95.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 112 | 177.6 | -57 | 161.9 | 0 | 0 | 0 | 110 | V254 R258 A263 V277 T278 I279 M293 | V254-I265 HydrophobicContact CG2-CG2 4.2Å; R258-I265 HydrophobicContact CG-CB 3.91Å; R258-I265 HydrophobicContact CG-CD1 4.07Å; R258-I265 HydrophobicContact CG-CG1 4.28Å; R258-I265 VanDerWaalsContact CZ-O 3.27Å; R258-I265 PolarHBondContact NE-O 2.81Å; R258-I265 PolarHBondContact NH2-O 2.79Å; A263-I265 PolarHBondContact O-N 2.79Å; I265-V277 HydrophobicContact CG2-CG1 3.85Å; I265-T278 CarbonylContact C-O 3.16Å; I265-T278 WeakPolarHBondContact CA-O 3.37Å; I265-I279 HydrophobicContact CG1-CG1 4.31Å; I265-I279 HydrophobicContact CG1-CG2 4.25Å; I265-M293 HydrophobicContact CD1-CE 3.62Å; I265-M293 HydrophobicContact CG1-CE 4.16Å; I265-M293 HydrophobicContact CG2-CE 4.14Å |
| 266 | N | 94.5 | Very high | 90.9 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 47% | 0.465 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.7 | 172 | -166.6 | 7.9 | 0 | 0 | 0 | 110.4 | V277 T278 | N266-V277 CarbonylContact O-C 2.76Å; N266-V277 WeakPolarHBondContact O-CA 3.2Å; N266-T278 PolarHBondContact N-O 3.33Å; N266-T278 PolarHBondContact O-N 3.13Å |
| 267 | I | 93 | Very high | 90.9 | Very high | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.2 | -180 | -58 | -179.8 | 0 | 0 | 0 | 107.5 | V243 I247 V254 V277 | V243-I267 HydrophobicContact CG1-CD1 4.42Å; V243-I267 HydrophobicContact CG1-CG2 3.64Å; I247-I267 HydrophobicContact CD1-CD1 4.16Å; I247-I267 HydrophobicContact CG1-CD1 3.57Å; V254-I267 HydrophobicContact CG2-CD1 3.84Å; I267-V277 HydrophobicContact CG1-CG1 4.35Å; I267-V277 HydrophobicContact CG1-CG2 4.29Å |
| 268 | S | 89.6 | Confident | 90.9 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | trans | -64.5 | 155 | 179.2 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | R275 I276 | S268-R275 WeakPolarHBondContact OG-CA 3.47Å; S268-I276 PolarHBondContact N-O 3.13Å; S268-I276 PolarHBondContact OG-N 2.98Å | ||
| 269 | D | 84.6 | Confident | 90.9 | Very high | 144 Ų | 144 | 55.3 Ų | 55.3 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | trans | -56.4 | 152.6 | -177.5 | -58.8 | -59.9 | 0 | 0 | 0 | 114.4 | S271 | D269-S271 VanDerWaalsContact C-N 3.26Å; D269-S271 PolarHBondContact O-N 3.08Å; D269-S271 VanDerWaalsContact O-N 3.16Å | ||
| 270 | G | 77.1 | Confident | 90.8 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | S272 R275 | G270-S272 VanDerWaalsContact C-N 3.27Å; G270-S272 PolarHBondContact O-N 3.31Å; G270-R275 PolarHBondContact O-NH2 3.39Å; G270-R275 VanDerWaalsContact O-NH2 3.17Å |
| 271 | S | 77.7 | Confident | 90.7 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 64% | 0.643 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.2 | -171.9 | -169 | 0 | 0 | 0 | 0 | 114.8 | D269 P402 | D269-S271 VanDerWaalsContact C-N 3.26Å; D269-S271 PolarHBondContact O-N 3.08Å; D269-S271 VanDerWaalsContact O-N 3.16Å; S271-P402 WeakPolarHBondContact OG-CB 3.31Å |
| 272 | S | 78.8 | Confident | 90.7 | Very high | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -114.5 | 145.3 | -178.1 | -61 | 0 | 0 | 0 | 0 | 110.7 | G270 E274 P400 K401 P402 | G270-S272 VanDerWaalsContact C-N 3.27Å; G270-S272 PolarHBondContact O-N 3.31Å; S272-E274 VanDerWaalsContact C-N 3.27Å; S272-E274 CarbonylContact C-O 3.48Å; S272-E274 WeakPolarHBondContact CB-O 3.37Å; S272-E274 PolarHBondContact O-N 2.92Å; S272-P400 PolarHBondContact OG-O 2.87Å; S272-K401 PolarHBondContact OG-O 2.75Å; S272-P402 WeakPolarHBondContact OG-CA 3.28Å |
| 273 | P | 85.6 | Confident | 90.6 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -68.6 | -28.7 | 179.5 | 28.7 | -35.5 | 0 | 0 | 0 | 112.3 | G240 V403 | G240-P273 PolarHBondContact N-O 3.19Å; P273-V403 HydrophobicContact CG-CG2 3.82Å |
| 274 | E | 88.1 | Confident | 90.5 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.7 | 163.3 | -62.6 | -169.8 | 137.6 | 0 | 0 | 109.6 | L237 M238 S272 R321 P400 | L237-E274 HydrophobicContact CD1-CB 3.97Å; M238-E274 CarbonylContact O-C 3.57Å; M238-E274 WeakPolarHBondContact O-CA 3.32Å; S272-E274 VanDerWaalsContact C-N 3.27Å; S272-E274 CarbonylContact C-O 3.48Å; S272-E274 WeakPolarHBondContact CB-O 3.37Å; S272-E274 PolarHBondContact O-N 2.92Å; E274-R321 IonicContact OE1-CZ 3.51Å; E274-R321 IonicContact OE1-NH1 3.38Å; E274-R321 PolarHBondContact OE1-NH1 3.21Å; E274-P400 HydrophobicContact CB-CB 4.45Å; E274-P400 WeakPolarHBondContact O-CG 3.47Å |
| 275 | R | 92.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 43 Ų | 43 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.7 | 177.8 | -64.1 | -179.5 | -170.4 | -168.6 | -2.8 | 109.5 | M238 V243 S268 G270 | M238-R275 PolarHBondContact N-O 3.32Å; M238-R275 PolarHBondContact O-N 3.34Å; M238-R275 VanDerWaalsContact O-O 3.09Å; V243-R275 HydrophobicContact CG2-CB 3.98Å; S268-R275 WeakPolarHBondContact OG-CA 3.47Å; G270-R275 PolarHBondContact O-NH2 3.39Å; G270-R275 VanDerWaalsContact O-NH2 3.17Å |
| 276 | I | 92.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.2 | -179.4 | -56.3 | 177.8 | 0 | 0 | 0 | 109.2 | R235 L236 L237 S268 L323 Y398 | R235-I276 HydrophobicContact CB-CG2 4.14Å; R235-I276 VanDerWaalsContact NH2-CD1 3.28Å; L236-I276 CarbonylContact O-C 3.54Å; L236-I276 WeakPolarHBondContact O-CA 3.21Å; L237-I276 HydrophobicContact CD1-CG1 4Å; S268-I276 PolarHBondContact N-O 3.13Å; S268-I276 PolarHBondContact OG-N 2.98Å; I276-L323 HydrophobicContact CD1-CD1 3.87Å; I276-L323 HydrophobicContact CG1-CD1 4.21Å; I276-L323 HydrophobicContact CG2-CD1 4.07Å; I276-Y398 HydrophobicContact CD1-CD1 3.95Å; I276-Y398 WeakPolarHBondContact CD1-O 3.46Å |
| 277 | V | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.1 | 168.3 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | R235 L236 M238 V243 I265 N266 I267 I279 | R235-V277 CarbonylContact C-O 3.01Å; L236-V277 HydrophobicContact CB-CB 4.32Å; L236-V277 PolarHBondContact N-O 3.42Å; L236-V277 PolarHBondContact O-N 3.49Å; M238-V277 HydrophobicContact SD-CG2 3.92Å; V243-V277 HydrophobicContact CG2-CG2 4.11Å; I265-V277 HydrophobicContact CG2-CG1 3.85Å; N266-V277 CarbonylContact O-C 2.76Å; N266-V277 WeakPolarHBondContact O-CA 3.2Å; I267-V277 HydrophobicContact CG1-CG1 4.35Å; I267-V277 HydrophobicContact CG1-CG2 4.29Å; V277-I279 HydrophobicContact CG1-CG1 4.12Å |
| 278 | T | 94.7 | Very high | 90.6 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.7 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | V233 L234 R235 I265 N266 | V233-T278 HydrophobicContact CG1-CG2 3.69Å; L234-T278 CarbonylContact O-C 3.56Å; L234-T278 WeakPolarHBondContact O-CA 3.36Å; R235-T278 HydrophobicContact CG-CG2 3.98Å; I265-T278 CarbonylContact C-O 3.16Å; I265-T278 WeakPolarHBondContact CA-O 3.37Å; N266-T278 PolarHBondContact N-O 3.33Å; N266-T278 PolarHBondContact O-N 3.13Å |
| 279 | I | 95.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.5 | -178.9 | -52.7 | 177.8 | 0 | 0 | 0 | 107.4 | L234 A263 I265 V277 I286 A289 F290 M293 | L234-I279 PolarHBondContact N-O 2.99Å; L234-I279 PolarHBondContact O-N 3.15Å; A263-I279 HydrophobicContact CB-CG2 3.92Å; I265-I279 HydrophobicContact CG1-CG1 4.31Å; I265-I279 HydrophobicContact CG1-CG2 4.25Å; V277-I279 HydrophobicContact CG1-CG1 4.12Å; I279-I286 HydrophobicContact CG2-CG1 4.15Å; I279-A289 HydrophobicContact CG2-CB 4.32Å; I279-F290 HydrophobicContact CD1-CD2 4.14Å; I279-F290 HydrophobicContact CD1-CE2 3.65Å; I279-F290 HydrophobicContact CD1-CZ 4.05Å; I279-M293 HydrophobicContact CD1-CE 3.72Å; I279-M293 HydrophobicContact CD1-SD 3.92Å; I279-M293 HydrophobicContact CG1-CE 4.42Å |
| 280 | T | 94.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 35 Ų | 35 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.6 | 178 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | L232 V233 R264 | L232-T280 WeakPolarHBondContact O-CA 3.3Å; V233-T280 HydrophobicContact CG2-CG2 3.87Å; R264-T280 PolarHBondContact N-O 3.44Å; R264-T280 PolarHBondContact O-N 2.91Å |
| 281 | G | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | -174.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L232 I286 | L232-G281 PolarHBondContact N-O 2.75Å; L232-G281 PolarHBondContact O-N 2.69Å; L232-G281 VanDerWaalsContact O-N 3.13Å; G281-I286 WeakPolarHBondContact O-CD1 3.39Å |
| 282 | T | 95.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | trans | -73.5 | 166.4 | 167.8 | 66.9 | 0 | 0 | 0 | 0 | 111 | L231 E284 Q285 I286 | L231-T282 HydrophobicContact CD2-CG2 4.23Å; T282-E284 PolarHBondContact O-N 2.69Å; T282-Q285 PolarHBondContact O-N 3.15Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.37Å; T282-Q285 PolarHBondContact OG1-N 2.88Å; T282-I286 WeakPolarHBondContact O-CB 3.29Å; T282-I286 WeakPolarHBondContact O-CG1 3.44Å; T282-I286 PolarHBondContact O-N 3.13Å | ||
| 283 | T | 92.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51 | -39.8 | 175 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | Y287 R380 C383 | T283-Y287 VanDerWaalsContact O-CB 3.29Å; T283-Y287 WeakPolarHBondContact O-CB 3.26Å; T283-Y287 PolarHBondContact O-N 3.03Å; T283-R380 HydrophobicContact CG2-CG 4.26Å; T283-C383 HydrophobicContact CG2-CB 3.67Å |
| 284 | E | 94 | Very high | 93.8 | Very high | 88 Ų | 88 | 26 Ų | 26 | 41% | 0.411 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -72.3 | -43.2 | -179.2 | -162.7 | 62.1 | -149 | 0 | 0 | 112.4 | T282 I286 Y287 I288 R380 | T282-E284 PolarHBondContact O-N 2.69Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.39Å; E284-Y287 WeakPolarHBondContact O-CB 3.33Å; E284-Y287 PolarHBondContact O-N 3.38Å; E284-I288 WeakPolarHBondContact O-CG1 3.28Å; E284-I288 PolarHBondContact O-N 3.47Å; E284-R380 IonicContact OE1-NH1 3.8Å; E284-R380 IonicContact OE2-CZ 3.94Å; E284-R380 IonicContact OE2-NH1 3.32Å; E284-R380 PolarHBondContact OE2-NH1 3.04Å; E284-R380 IonicContact OE2-NH2 3.61Å; E284-R380 PolarHBondContact OE2-NH2 3.02Å |
| 285 | Q | 95.3 | Very high | 94 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 29% | 0.285 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.8 | -67.6 | 176.6 | -33.2 | 0 | 0 | 111.2 | S261 A263 T282 A289 | S261-Q285 WeakPolarHBondContact CB-O 3.42Å; S261-Q285 WeakPolarHBondContact O-CA 3.43Å; S261-Q285 VanDerWaalsContact O-CB 3.3Å; S261-Q285 WeakPolarHBondContact O-CB 3.34Å; S261-Q285 WeakPolarHBondContact O-CG 3Å; A263-Q285 HydrophobicContact CB-CB 4.17Å; T282-Q285 PolarHBondContact O-N 3.15Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.37Å; T282-Q285 PolarHBondContact OG1-N 2.88Å; Q285-A289 WeakPolarHBondContact O-CB 3.31Å; Q285-A289 PolarHBondContact O-N 3.4Å |
| 286 | I | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.1 | -72.4 | 170.6 | 0 | 0 | 0 | 110.7 | L232 L234 I279 G281 T282 E284 I288 A289 F290 I379 | L232-I286 HydrophobicContact CB-CD1 3.63Å; L234-I286 HydrophobicContact CD1-CD1 4.5Å; L234-I286 HydrophobicContact CD1-CG2 3.61Å; L234-I286 HydrophobicContact CG-CD1 4.34Å; L234-I286 HydrophobicContact CG-CG2 4.49Å; I279-I286 HydrophobicContact CG2-CG1 4.15Å; G281-I286 WeakPolarHBondContact O-CD1 3.39Å; T282-I286 WeakPolarHBondContact O-CB 3.29Å; T282-I286 WeakPolarHBondContact O-CG1 3.44Å; T282-I286 PolarHBondContact O-N 3.13Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.39Å; I286-I288 PolarHBondContact O-N 3.42Å; I286-A289 PolarHBondContact O-N 3.14Å; I286-F290 HydrophobicContact CG2-CD2 3.73Å; I286-F290 HydrophobicContact CG2-CE2 3.9Å; I286-F290 WeakPolarHBondContact O-CD2 3.26Å; I286-F290 PolarHBondContact O-N 2.86Å; I286-I379 HydrophobicContact CG2-CG2 3.91Å |
| 287 | Y | 94.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -55.7 | -51.2 | 177.1 | 174.7 | -106.8 | 0 | 0 | 0 | 111.5 | T283 E284 A289 F290 T291 S376 R380 | T283-Y287 VanDerWaalsContact O-CB 3.29Å; T283-Y287 WeakPolarHBondContact O-CB 3.26Å; T283-Y287 PolarHBondContact O-N 3.03Å; E284-Y287 WeakPolarHBondContact O-CB 3.33Å; E284-Y287 PolarHBondContact O-N 3.38Å; Y287-A289 PolarHBondContact O-N 3.42Å; Y287-F290 PolarHBondContact O-N 2.86Å; Y287-T291 PolarHBondContact O-N 3.35Å; Y287-T291 PolarHBondContact O-OG1 3.21Å; Y287-S376 WeakPolarHBondContact CD2-O 3.46Å; Y287-S376 WeakPolarHBondContact CE2-O 3.49Å; Y287-R380 HydrophobicContact CD2-CB 4.18Å |
| 288 | I | 95.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 32.5 Ų | 32.5 | 30% | 0.303 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.8 | -62.7 | 164.1 | 0 | 0 | 0 | 111 | E284 I286 F290 T291 L292 | E284-I288 WeakPolarHBondContact O-CG1 3.28Å; E284-I288 PolarHBondContact O-N 3.47Å; I286-I288 PolarHBondContact O-N 3.42Å; I288-F290 PolarHBondContact O-N 3.23Å; I288-T291 PolarHBondContact O-N 2.99Å; I288-L292 HydrophobicContact CG2-CD1 4.07Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.21Å; I288-L292 VanDerWaalsContact O-N 3.1Å |
| 289 | A | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A263 I279 Q285 I286 Y287 L292 M293 | A263-A289 HydrophobicContact CB-CB 4.37Å; I279-A289 HydrophobicContact CG2-CB 4.32Å; Q285-A289 WeakPolarHBondContact O-CB 3.31Å; Q285-A289 PolarHBondContact O-N 3.4Å; I286-A289 PolarHBondContact O-N 3.14Å; Y287-A289 PolarHBondContact O-N 3.42Å; A289-L292 PolarHBondContact O-N 3.29Å; A289-M293 VanDerWaalsContact O-CG 3.28Å; A289-M293 WeakPolarHBondContact O-CG 3.34Å; A289-M293 PolarHBondContact O-N 3.07Å; A289-M293 VanDerWaalsContact O-N 3.07Å |
| 290 | F | 93.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 179.4 | -90.3 | -88.6 | 0 | 0 | 0 | 112.8 | L234 L236 I279 I286 Y287 I288 L292 M293 S294 L320 I379 | L234-F290 HydrophobicContact CD1-CE2 3.84Å; L234-F290 HydrophobicContact CD1-CZ 4.32Å; L236-F290 HydrophobicContact CD2-CE1 3.93Å; L236-F290 HydrophobicContact CD2-CZ 4.15Å; I279-F290 HydrophobicContact CD1-CD2 4.14Å; I279-F290 HydrophobicContact CD1-CE2 3.65Å; I279-F290 HydrophobicContact CD1-CZ 4.05Å; I286-F290 HydrophobicContact CG2-CD2 3.73Å; I286-F290 HydrophobicContact CG2-CE2 3.9Å; I286-F290 WeakPolarHBondContact O-CD2 3.26Å; I286-F290 PolarHBondContact O-N 2.86Å; Y287-F290 PolarHBondContact O-N 2.86Å; I288-F290 PolarHBondContact O-N 3.23Å; F290-L292 VanDerWaalsContact C-N 3.34Å; F290-L292 PolarHBondContact O-N 3.22Å; F290-M293 PolarHBondContact O-N 3.36Å; F290-S294 VanDerWaalsContact O-CB 3.31Å; F290-S294 WeakPolarHBondContact O-CB 3.47Å; F290-S294 PolarHBondContact O-N 3Å; F290-S294 PolarHBondContact O-OG 3.12Å; F290-S294 VanDerWaalsContact O-OG 3.05Å; F290-L320 HydrophobicContact CD1-CD1 4.01Å; F290-L320 HydrophobicContact CE1-CD1 4.03Å; F290-I379 HydrophobicContact CB-CG1 4.44Å; F290-I379 HydrophobicContact CB-CG2 4.41Å; F290-I379 HydrophobicContact CD1-CD1 4.09Å; F290-I379 HydrophobicContact CD1-CG1 3.77Å; F290-I379 HydrophobicContact CD2-CG1 4.45Å; F290-I379 HydrophobicContact CD2-CG2 3.76Å; F290-I379 HydrophobicContact CE1-CD1 3.82Å; F290-I379 HydrophobicContact CE1-CG1 4.05Å; F290-I379 HydrophobicContact CE2-CG2 4.09Å; F290-I379 HydrophobicContact CG-CB 4.4Å; F290-I379 HydrophobicContact CG-CG1 3.98Å; F290-I379 HydrophobicContact CG-CG2 4Å; F290-I379 HydrophobicContact CZ-CD1 4.05Å |
| 291 | T | 94.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 175.1 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | Y287 I288 S294 R295 S376 | Y287-T291 PolarHBondContact O-N 3.35Å; Y287-T291 PolarHBondContact O-OG1 3.21Å; I288-T291 PolarHBondContact O-N 2.99Å; T291-S294 PolarHBondContact O-OG 3.49Å; T291-R295 WeakPolarHBondContact O-CB 3.47Å; T291-R295 VanDerWaalsContact O-CG 3.3Å; T291-R295 WeakPolarHBondContact O-CG 3.24Å; T291-R295 PolarHBondContact O-N 3.19Å; T291-S376 WeakPolarHBondContact CA-OG 3.37Å; T291-S376 VanDerWaalsContact OG1-CB 3.26Å; T291-S376 WeakPolarHBondContact OG1-CB 3.32Å; T291-S376 PolarHBondContact OG1-OG 2.86Å |
| 292 | L | 93.2 | Very high | 91 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -41.9 | 175.6 | -65 | 169.5 | 0 | 0 | 0 | 111.9 | Y257 E260 I288 A289 F290 K296 | Y257-L292 HydrophobicContact CD1-CB 3.66Å; Y257-L292 HydrophobicContact CD1-CD1 4.21Å; Y257-L292 HydrophobicContact CE1-CB 3.88Å; E260-L292 HydrophobicContact CB-CD1 3.8Å; E260-L292 HydrophobicContact CG-CD1 3.75Å; E260-L292 WeakPolarHBondContact OE2-CD1 3.48Å; E260-L292 WeakPolarHBondContact OE2-CD2 3.42Å; I288-L292 HydrophobicContact CG2-CD1 4.07Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.21Å; I288-L292 VanDerWaalsContact O-N 3.1Å; A289-L292 PolarHBondContact O-N 3.29Å; F290-L292 VanDerWaalsContact C-N 3.34Å; F290-L292 PolarHBondContact O-N 3.22Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 WeakPolarHBondContact O-CG 3.37Å; L292-K296 PolarHBondContact O-N 2.84Å |
| 293 | M | 93.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | 177.4 | -67.8 | -177.1 | -167.2 | 0 | 0 | 112.4 | I246 Y257 I265 I279 A289 F290 K296 F297 | I246-M293 HydrophobicContact CD1-CB 3.85Å; I246-M293 HydrophobicContact CD1-CG 3.93Å; I246-M293 HydrophobicContact CG2-CE 4.47Å; I246-M293 HydrophobicContact CG2-SD 4.38Å; Y257-M293 HydrophobicContact CD2-CE 4.15Å; Y257-M293 HydrophobicContact CD2-CG 4.08Å; Y257-M293 HydrophobicContact CE2-CG 4.13Å; I265-M293 HydrophobicContact CD1-CE 3.62Å; I265-M293 HydrophobicContact CG1-CE 4.16Å; I265-M293 HydrophobicContact CG2-CE 4.14Å; I279-M293 HydrophobicContact CD1-CE 3.72Å; I279-M293 HydrophobicContact CD1-SD 3.92Å; I279-M293 HydrophobicContact CG1-CE 4.42Å; A289-M293 VanDerWaalsContact O-CG 3.28Å; A289-M293 WeakPolarHBondContact O-CG 3.34Å; A289-M293 PolarHBondContact O-N 3.07Å; A289-M293 VanDerWaalsContact O-N 3.07Å; F290-M293 PolarHBondContact O-N 3.36Å; M293-K296 PolarHBondContact O-N 3.31Å; M293-F297 WeakPolarHBondContact O-CD2 3.46Å; M293-F297 PolarHBondContact O-N 3.05Å |
| 294 | S | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | F290 T291 K296 F297 E298 A372 | F290-S294 VanDerWaalsContact O-CB 3.31Å; F290-S294 WeakPolarHBondContact O-CB 3.47Å; F290-S294 PolarHBondContact O-N 3Å; F290-S294 PolarHBondContact O-OG 3.12Å; F290-S294 VanDerWaalsContact O-OG 3.05Å; T291-S294 PolarHBondContact O-OG 3.49Å; S294-K296 VanDerWaalsContact C-N 3.26Å; S294-K296 PolarHBondContact O-N 3.41Å; S294-F297 PolarHBondContact O-N 3.1Å; S294-F297 VanDerWaalsContact O-N 3.14Å; S294-E298 PolarHBondContact O-N 3.49Å; S294-E298 VanDerWaalsContact O-N 3.13Å; S294-A372 WeakPolarHBondContact OG-CA 3.48Å; S294-A372 VanDerWaalsContact OG-CB 3.32Å; S294-A372 WeakPolarHBondContact OG-CB 3.2Å; S294-A372 PolarHBondContact OG-O 3.42Å |
| 295 | R | 91 | Very high | 88 | Confident | 127 Ų | 127 | 42.9 Ų | 42.9 | 48% | 0.479 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 170.8 | -73.4 | 177.1 | 178.5 | 174.7 | 1.5 | 112.1 | T291 F297 E298 D299 A372 | T291-R295 WeakPolarHBondContact O-CB 3.47Å; T291-R295 VanDerWaalsContact O-CG 3.3Å; T291-R295 WeakPolarHBondContact O-CG 3.24Å; T291-R295 PolarHBondContact O-N 3.19Å; R295-F297 VanDerWaalsContact C-N 3.35Å; R295-F297 PolarHBondContact O-N 2.84Å; R295-E298 PolarHBondContact O-N 2.95Å; R295-D299 VanDerWaalsContact O-CG 3.26Å; R295-D299 PolarHBondContact O-N 2.67Å; R295-A372 HydrophobicContact CG-CB 3.97Å |
| 296 | K | 90.4 | Very high | 86.6 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.8 | -26.6 | 177.7 | -82.9 | -99.3 | 165.4 | -89.8 | 0 | 114 | Y257 L292 M293 S294 D299 D300 | Y257-K296 HydrophobicContact CE1-CG 4.32Å; Y257-K296 VanDerWaalsContact OH-CB 3.26Å; Y257-K296 WeakPolarHBondContact OH-CB 3.24Å; Y257-K296 WeakPolarHBondContact OH-CD 3.45Å; Y257-K296 WeakPolarHBondContact OH-CG 3.45Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 WeakPolarHBondContact O-CG 3.37Å; L292-K296 PolarHBondContact O-N 2.84Å; M293-K296 PolarHBondContact O-N 3.31Å; S294-K296 VanDerWaalsContact C-N 3.26Å; S294-K296 PolarHBondContact O-N 3.41Å; K296-D299 IonicContact NZ-OD2 2.72Å; K296-D299 PolarHBondContact NZ-OD2 2.98Å; K296-D300 VanDerWaalsContact O-CB 3.29Å; K296-D300 WeakPolarHBondContact O-CB 3.49Å; K296-D300 VanDerWaalsContact O-CG 3.3Å; K296-D300 PolarHBondContact O-N 3.3Å |
| 297 | F | 89.7 | Confident | 85.2 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.9 | -36.3 | 167.1 | -73.8 | -60.3 | 0 | 0 | 0 | 112.7 | M238 E242 I246 M293 S294 R295 F301 V318 L320 | M238-F297 HydrophobicContact CE-CE2 3.48Å; M238-F297 VanDerWaalsContact CE-CE2 3.48Å; M238-F297 HydrophobicContact CE-CZ 3.41Å; M238-F297 VanDerWaalsContact CE-CZ 3.41Å; M238-F297 HydrophobicContact SD-CZ 4.17Å; E242-F297 HydrophobicContact CB-CE1 3.81Å; E242-F297 HydrophobicContact CB-CZ 4.12Å; E242-F297 HydrophobicContact CG-CE1 4.06Å; I246-F297 HydrophobicContact CD1-CD2 4.26Å; I246-F297 HydrophobicContact CD1-CE1 4.23Å; I246-F297 HydrophobicContact CD1-CE2 3.63Å; I246-F297 HydrophobicContact CD1-CZ 3.61Å; I246-F297 HydrophobicContact CG1-CE1 4.04Å; I246-F297 HydrophobicContact CG1-CE2 3.85Å; I246-F297 HydrophobicContact CG1-CZ 3.36Å; M293-F297 WeakPolarHBondContact O-CD2 3.46Å; M293-F297 PolarHBondContact O-N 3.05Å; S294-F297 PolarHBondContact O-N 3.1Å; S294-F297 VanDerWaalsContact O-N 3.14Å; R295-F297 VanDerWaalsContact C-N 3.35Å; R295-F297 PolarHBondContact O-N 2.84Å; F297-F301 VanDerWaalsContact O-CB 3.3Å; F297-F301 WeakPolarHBondContact O-CB 3.44Å; F297-F301 PolarHBondContact O-N 3.26Å; F297-V318 HydrophobicContact CB-CB 4.32Å; F297-V318 HydrophobicContact CB-CG1 3.6Å; F297-V318 HydrophobicContact CB-CG2 3.69Å; F297-V318 HydrophobicContact CD2-CG1 3.94Å; F297-V318 HydrophobicContact CG-CG1 3.97Å; F297-L320 HydrophobicContact CD2-CD2 4.03Å; F297-L320 HydrophobicContact CE2-CD2 3.71Å |
| 298 | E | 86.8 | Confident | 83.7 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 171.5 | -66.5 | -178.6 | 159 | 0 | 0 | 111.4 | S294 R295 D300 F301 T302 V318 T371 A372 | S294-E298 PolarHBondContact O-N 3.49Å; S294-E298 VanDerWaalsContact O-N 3.13Å; R295-E298 PolarHBondContact O-N 2.95Å; E298-D300 PolarHBondContact O-N 3.46Å; E298-F301 PolarHBondContact O-N 2.85Å; E298-T302 WeakPolarHBondContact O-CB 3.36Å; E298-T302 VanDerWaalsContact O-CG2 3.31Å; E298-T302 WeakPolarHBondContact O-CG2 3.12Å; E298-T302 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-OG1 2.96Å; E298-V318 HydrophobicContact CG-CG2 3.66Å; E298-T371 WeakPolarHBondContact OE1-CA 3.26Å; E298-A372 VanDerWaalsContact CD-CB 3.45Å; E298-A372 HydrophobicContact CG-CB 4.33Å; E298-A372 PolarHBondContact OE1-N 3.44Å; E298-A372 WeakPolarHBondContact OE2-CB 3.46Å |
| 299 | D | 86.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.7 | -69.6 | -27.6 | 0 | 0 | 0 | 112.1 | R295 K296 T302 Q303 | R295-D299 VanDerWaalsContact O-CG 3.26Å; R295-D299 PolarHBondContact O-N 2.67Å; K296-D299 IonicContact NZ-OD2 2.72Å; K296-D299 PolarHBondContact NZ-OD2 2.98Å; D299-T302 WeakPolarHBondContact CA-OG1 3.36Å; D299-T302 PolarHBondContact O-OG1 3.16Å; D299-T302 VanDerWaalsContact O-OG1 3.05Å; D299-Q303 VanDerWaalsContact O-CB 3.27Å; D299-Q303 WeakPolarHBondContact O-CB 3.26Å; D299-Q303 WeakPolarHBondContact O-CG 3.39Å; D299-Q303 PolarHBondContact O-N 2.88Å; D299-Q303 PolarHBondContact O-NE2 2.76Å |
| 300 | D | 84.6 | Confident | 80.3 | Confident | 46 Ų | 46 | 62.5 Ų | 62.5 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.1 | -32.2 | -177.4 | -76.7 | -5.9 | 0 | 0 | 0 | 111.6 | S245 K296 E298 Q303 G304 | S245-D300 WeakPolarHBondContact CB-OD2 3.46Å; S245-D300 PolarHBondContact OG-OD2 2.78Å; K296-D300 VanDerWaalsContact O-CB 3.29Å; K296-D300 WeakPolarHBondContact O-CB 3.49Å; K296-D300 VanDerWaalsContact O-CG 3.3Å; K296-D300 PolarHBondContact O-N 3.3Å; E298-D300 PolarHBondContact O-N 3.46Å; D300-Q303 PolarHBondContact OD1-NE2 2.79Å; D300-G304 PolarHBondContact O-N 3.4Å |
| 301 | F | 80 | Confident | 78.7 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 170.3 | -168.4 | -79.8 | 0 | 0 | 0 | 111.1 | F297 E298 Q303 G304 L305 P316 | F297-F301 VanDerWaalsContact O-CB 3.3Å; F297-F301 WeakPolarHBondContact O-CB 3.44Å; F297-F301 PolarHBondContact O-N 3.26Å; E298-F301 PolarHBondContact O-N 2.85Å; F301-Q303 PolarHBondContact O-N 2.84Å; F301-G304 CarbonylContact O-C 3.57Å; F301-G304 WeakPolarHBondContact O-CA 3.5Å; F301-G304 PolarHBondContact O-N 2.95Å; F301-L305 HydrophobicContact CD1-CB 4.43Å; F301-L305 HydrophobicContact CE1-CB 4.14Å; F301-L305 HydrophobicContact CE1-CD1 4.12Å; F301-L305 HydrophobicContact CE1-CD2 4.09Å; F301-L305 HydrophobicContact CE1-CG 4.37Å; F301-L305 WeakPolarHBondContact O-CB 3.37Å; F301-L305 PolarHBondContact O-N 3.42Å; F301-P316 HydrophobicContact CD1-CG 3.81Å; F301-P316 HydrophobicContact CD2-CG 3.81Å; F301-P316 HydrophobicContact CE1-CG 3.47Å; F301-P316 VanDerWaalsContact CE1-CG 3.47Å; F301-P316 HydrophobicContact CE2-CG 3.46Å; F301-P316 VanDerWaalsContact CE2-CG 3.46Å; F301-P316 HydrophobicContact CG-CG 3.99Å; F301-P316 HydrophobicContact CZ-CG 3.3Å |
| 302 | T | 78.2 | Confident | 77 | Confident | 51 Ų | 51 | 74.6 Ų | 74.6 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | E298 D299 G304 L305 L306 | E298-T302 WeakPolarHBondContact O-CB 3.36Å; E298-T302 VanDerWaalsContact O-CG2 3.31Å; E298-T302 WeakPolarHBondContact O-CG2 3.12Å; E298-T302 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-OG1 2.96Å; D299-T302 WeakPolarHBondContact CA-OG1 3.36Å; D299-T302 PolarHBondContact O-OG1 3.16Å; D299-T302 VanDerWaalsContact O-OG1 3.05Å; T302-G304 VanDerWaalsContact C-N 3.26Å; T302-G304 PolarHBondContact O-N 2.94Å; T302-L305 WeakPolarHBondContact O-CB 3.33Å; T302-L305 PolarHBondContact O-N 3Å; T302-L306 WeakPolarHBondContact O-CB 3.18Å; T302-L306 VanDerWaalsContact O-CG 3.26Å; T302-L306 WeakPolarHBondContact O-CG 3.4Å; T302-L306 PolarHBondContact O-N 3.18Å |
| 303 | Q | 79 | Confident | 75.1 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -32.9 | 170.5 | -77.1 | 169.8 | 82.7 | 0 | 0 | 113.3 | D299 D300 F301 R307 | D299-Q303 VanDerWaalsContact O-CB 3.27Å; D299-Q303 WeakPolarHBondContact O-CB 3.26Å; D299-Q303 WeakPolarHBondContact O-CG 3.39Å; D299-Q303 PolarHBondContact O-N 2.88Å; D299-Q303 PolarHBondContact O-NE2 2.76Å; D300-Q303 PolarHBondContact OD1-NE2 2.79Å; F301-Q303 PolarHBondContact O-N 2.84Å; Q303-R307 WeakPolarHBondContact O-CG 3.44Å |
| 304 | G | 72.1 | Confident | 73.6 | Confident | 38 Ų | 38 | 82.7 Ų | 82.7 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D300 F301 T302 R307 | D300-G304 PolarHBondContact O-N 3.4Å; F301-G304 CarbonylContact O-C 3.57Å; F301-G304 WeakPolarHBondContact O-CA 3.5Å; F301-G304 PolarHBondContact O-N 2.95Å; T302-G304 VanDerWaalsContact C-N 3.26Å; T302-G304 PolarHBondContact O-N 2.94Å; G304-R307 PolarHBondContact O-N 3.21Å |
| 305 | L | 67.6 | Low | 72.4 | Confident | 36 Ų | 36 | 86 Ų | 86 | 19% | 0.188 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -74.6 | -41 | -178.6 | -165.9 | 66.6 | 0 | 0 | 0 | 112.9 | F301 T302 R307 M308 G309 A313 | F301-L305 HydrophobicContact CD1-CB 4.43Å; F301-L305 HydrophobicContact CE1-CB 4.14Å; F301-L305 HydrophobicContact CE1-CD1 4.12Å; F301-L305 HydrophobicContact CE1-CD2 4.09Å; F301-L305 HydrophobicContact CE1-CG 4.37Å; F301-L305 WeakPolarHBondContact O-CB 3.37Å; F301-L305 PolarHBondContact O-N 3.42Å; T302-L305 WeakPolarHBondContact O-CB 3.33Å; T302-L305 PolarHBondContact O-N 3Å; L305-R307 PolarHBondContact O-N 3.21Å; L305-M308 CarbonylContact O-C 3.25Å; L305-M308 WeakPolarHBondContact O-CA 3.16Å; L305-M308 WeakPolarHBondContact O-CB 3.32Å; L305-M308 PolarHBondContact O-N 2.79Å; L305-G309 PolarHBondContact O-N 3.35Å; L305-A313 HydrophobicContact CD1-CB 3.92Å; L305-A313 HydrophobicContact CD2-CB 3.8Å; L305-A313 WeakPolarHBondContact CD2-O 3.3Å; L305-A313 HydrophobicContact CG-CB 4.24Å |
| 306 | L | 66.4 | Low | 71.6 | Confident | 99 Ų | 99 | 82.6 Ų | 82.6 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.4 | -29.8 | 173.2 | -69.5 | 172.8 | 0 | 0 | 0 | 111.8 | T302 M308 G309 E311 | T302-L306 WeakPolarHBondContact O-CB 3.18Å; T302-L306 VanDerWaalsContact O-CG 3.26Å; T302-L306 WeakPolarHBondContact O-CG 3.4Å; T302-L306 PolarHBondContact O-N 3.18Å; L306-M308 VanDerWaalsContact C-N 3.26Å; L306-M308 PolarHBondContact O-N 3.41Å; L306-G309 PolarHBondContact O-N 3.08Å; L306-E311 WeakPolarHBondContact CD2-OE1 3.43Å |
| 307 | R | 66.2 | Low | 71.3 | Confident | 209 Ų | 209 | 83.7 Ų | 83.7 | 79% | 0.789 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -13.7 | 172.5 | -69.6 | 172.8 | -175.9 | -173.8 | 5.4 | 114 | Q303 G304 L305 | Q303-R307 WeakPolarHBondContact O-CG 3.44Å; G304-R307 PolarHBondContact O-N 3.21Å; L305-R307 PolarHBondContact O-N 3.21Å |
| 308 | M | 62.6 | Low | 71.2 | Confident | 156 Ų | 156 | 83.2 Ų | 83.2 | 77% | 0.768 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -4.2 | 175.8 | -64.2 | -61.2 | -60.9 | 0 | 0 | 112.8 | L305 L306 D310 | L305-M308 CarbonylContact O-C 3.25Å; L305-M308 WeakPolarHBondContact O-CA 3.16Å; L305-M308 WeakPolarHBondContact O-CB 3.32Å; L305-M308 PolarHBondContact O-N 2.79Å; L306-M308 VanDerWaalsContact C-N 3.26Å; L306-M308 PolarHBondContact O-N 3.41Å; M308-D310 PolarHBondContact O-N 3.16Å |
| 309 | G | 58.3 | Low | 71.5 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 20.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L305 L306 | L305-G309 PolarHBondContact O-N 3.35Å; L306-G309 PolarHBondContact O-N 3.08Å |
| 310 | D | 61.8 | Low | 71.8 | Confident | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | trans | -115.6 | 91.4 | 175.9 | -171.6 | -1.9 | 0 | 0 | 0 | 111.4 | M308 T312 | M308-D310 PolarHBondContact O-N 3.16Å; D310-T312 PolarHBondContact O-N 3.28Å; D310-T312 WeakPolarHBondContact OD1-CB 3.48Å; D310-T312 PolarHBondContact OD1-N 3.28Å; D310-T312 PolarHBondContact OD1-OG1 2.95Å | ||
| 311 | E | 59.7 | Low | 72.3 | Confident | 152 Ų | 152 | 83.6 Ų | 83.6 | 71% | 0.71 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.4 | 176.1 | -60.2 | -64.1 | 136.6 | 0 | 0 | 113.5 | L306 | L306-E311 WeakPolarHBondContact CD2-OE1 3.43Š|
| 312 | T | 57.4 | Low | 73 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 74% | 0.736 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -4.7 | -176.3 | 70.5 | 0 | 0 | 0 | 0 | 114 | D310 N314 | D310-T312 PolarHBondContact O-N 3.28Å; D310-T312 WeakPolarHBondContact OD1-CB 3.48Å; D310-T312 PolarHBondContact OD1-N 3.28Å; D310-T312 PolarHBondContact OD1-OG1 2.95Å; T312-N314 PolarHBondContact O-N 2.8Å |
| 313 | A | 54.5 | Low | 73.8 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 116 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L305 C315 | L305-A313 HydrophobicContact CD1-CB 3.92Å; L305-A313 HydrophobicContact CD2-CB 3.8Å; L305-A313 WeakPolarHBondContact CD2-O 3.3Å; L305-A313 HydrophobicContact CG-CB 4.24Å; A313-C315 PolarHBondContact O-N 2.81Å |
| 314 | N | 60.8 | Low | 74.5 | Confident | 156 Ų | 156 | 73.1 Ų | 73.1 | 83% | 0.834 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 130.4 | 169.9 | -73.7 | -34.9 | 0 | 0 | 0 | 110.6 | T312 P316 | T312-N314 PolarHBondContact O-N 2.8Å; N314-P316 WeakPolarHBondContact O-CD 3.4Å |
| 315 | C | 67 | Low | 75.5 | Confident | 70 Ų | 70 | 72 Ų | 72 | 47% | 0.473 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 120.2 | 173.3 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | A313 | A313-C315 PolarHBondContact O-N 2.81Š|
| 316 | P | 73.4 | Confident | 76.6 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 152 | 178.5 | 29.6 | -33.5 | 0 | 0 | 0 | 109.9 | F301 N314 V318 | F301-P316 HydrophobicContact CD1-CG 3.81Å; F301-P316 HydrophobicContact CD2-CG 3.81Å; F301-P316 HydrophobicContact CE1-CG 3.47Å; F301-P316 VanDerWaalsContact CE1-CG 3.47Å; F301-P316 HydrophobicContact CE2-CG 3.46Å; F301-P316 VanDerWaalsContact CE2-CG 3.46Å; F301-P316 HydrophobicContact CG-CG 3.99Å; F301-P316 HydrophobicContact CZ-CG 3.3Å; N314-P316 WeakPolarHBondContact O-CD 3.4Å; P316-V318 PolarHBondContact O-N 3.35Å |
| 317 | P | 83.6 | Confident | 77.7 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 130.7 | -179.3 | 25.6 | -34.3 | 0 | 0 | 0 | 110.7 | G370 | P317-G370 CarbonylContact C-O 3.55Å; P317-G370 WeakPolarHBondContact CA-O 3.26Å |
| 318 | V | 89.1 | Confident | 78.9 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 9% | 0.085 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 139 | 170.7 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | F297 E298 P316 L320 S369 G370 I375 | F297-V318 HydrophobicContact CB-CB 4.32Å; F297-V318 HydrophobicContact CB-CG1 3.6Å; F297-V318 HydrophobicContact CB-CG2 3.69Å; F297-V318 HydrophobicContact CD2-CG1 3.94Å; F297-V318 HydrophobicContact CG-CG1 3.97Å; E298-V318 HydrophobicContact CG-CG2 3.66Å; P316-V318 PolarHBondContact O-N 3.35Å; V318-L320 HydrophobicContact CG1-CD2 4.22Å; V318-L320 HydrophobicContact CG1-CG 4.33Å; V318-S369 WeakPolarHBondContact O-CA 3.34Å; V318-G370 PolarHBondContact N-O 3.05Å; V318-G370 PolarHBondContact O-N 3.08Å; V318-G370 VanDerWaalsContact O-N 3.16Å; V318-I375 HydrophobicContact CB-CD1 3.73Å; V318-I375 HydrophobicContact CG1-CD1 3.93Å |
| 319 | T | 92.1 | Very high | 80.3 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.9 | 179.6 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | I368 | T319-I368 WeakPolarHBondContact CA-O 3.15Å |
| 320 | L | 93.1 | Very high | 81.9 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.3 | -178.6 | -62.9 | -173.7 | 0 | 0 | 0 | 110.1 | L236 M238 F290 F297 V318 T367 I368 I375 | L236-L320 HydrophobicContact CD1-CB 4.05Å; M238-L320 HydrophobicContact CE-CD2 3.59Å; F290-L320 HydrophobicContact CD1-CD1 4.01Å; F290-L320 HydrophobicContact CE1-CD1 4.03Å; F297-L320 HydrophobicContact CD2-CD2 4.03Å; F297-L320 HydrophobicContact CE2-CD2 3.71Å; V318-L320 HydrophobicContact CG1-CD2 4.22Å; V318-L320 HydrophobicContact CG1-CG 4.33Å; L320-T367 CarbonylContact O-C 3.55Å; L320-T367 VanDerWaalsContact O-CA 3.3Å; L320-T367 WeakPolarHBondContact O-CA 3.43Å; L320-I368 PolarHBondContact N-O 3.11Å; L320-I368 PolarHBondContact O-N 3.16Å; L320-I375 HydrophobicContact CD1-CG2 3.61Å |
| 321 | R | 94.5 | Very high | 83.3 | Confident | 80 Ų | 80 | 53 Ų | 53 | 30% | 0.302 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 89.9 | 180 | -63.9 | 170.7 | 69.6 | -155.5 | 2.1 | 111.2 | L237 E274 T367 | L237-R321 HydrophobicContact CB-CB 4.3Å; L237-R321 PolarHBondContact N-O 3.07Å; E274-R321 IonicContact OE1-CZ 3.51Å; E274-R321 IonicContact OE1-NH1 3.38Å; E274-R321 PolarHBondContact OE1-NH1 3.21Å; R321-T367 HydrophobicContact CG-CG2 4.3Å |
| 322 | L | 95.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 137.3 | 175.8 | -173.3 | 71.7 | 0 | 0 | 0 | 110.5 | L234 R235 V324 T365 V366 L382 F386 | L234-L322 HydrophobicContact CB-CD1 4.11Å; L234-L322 HydrophobicContact CD1-CD1 4.45Å; L234-L322 HydrophobicContact CD2-CD1 4.34Å; R235-L322 WeakPolarHBondContact O-CD1 3.46Å; L322-V324 HydrophobicContact CD2-CG2 3.74Å; L322-V324 HydrophobicContact CG-CG2 3.91Å; L322-T365 CarbonylContact O-C 3.11Å; L322-T365 WeakPolarHBondContact O-CA 3.46Å; L322-V366 HydrophobicContact CB-CB 4.41Å; L322-V366 PolarHBondContact N-O 2.89Å; L322-V366 PolarHBondContact O-N 3.49Å; L322-L382 HydrophobicContact CD2-CD1 4.47Å; L322-F386 HydrophobicContact CD2-CE2 4.08Å; L322-F386 HydrophobicContact CD2-CZ 4.07Å |
| 323 | L | 94.6 | Very high | 86.7 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.7 | 171.1 | -62.8 | 178.5 | 0 | 0 | 0 | 109.2 | R235 L237 I276 L358 T365 | R235-L323 HydrophobicContact CB-CB 4.02Å; R235-L323 HydrophobicContact CB-CD1 4.16Å; R235-L323 WeakPolarHBondContact O-CB 3.34Å; R235-L323 PolarHBondContact O-N 3.25Å; L237-L323 HydrophobicContact CB-CD1 4.32Å; L237-L323 HydrophobicContact CB-CD2 3.95Å; L237-L323 HydrophobicContact CB-CG 4.03Å; L237-L323 HydrophobicContact CD2-CD2 4.28Å; I276-L323 HydrophobicContact CD1-CD1 3.87Å; I276-L323 HydrophobicContact CG1-CD1 4.21Å; I276-L323 HydrophobicContact CG2-CD1 4.07Å; L323-L358 HydrophobicContact CD2-CD1 3.4Å; L323-T365 HydrophobicContact CD2-CG2 3.79Å |
| 324 | V | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.1 | -179.3 | -176 | 0 | 0 | 0 | 0 | 109.7 | L322 V326 Q328 I332 E363 R364 V366 F386 | L322-V324 HydrophobicContact CD2-CG2 3.74Å; L322-V324 HydrophobicContact CG-CG2 3.91Å; V324-V326 PolarHBondContact O-N 3.08Å; V324-Q328 HydrophobicContact CG1-CB 3.95Å; V324-I332 HydrophobicContact CB-CD1 4.46Å; V324-I332 HydrophobicContact CG1-CD1 3.88Å; V324-I332 HydrophobicContact CG2-CD1 4.06Å; V324-E363 CarbonylContact O-C 3.57Å; V324-E363 WeakPolarHBondContact O-CA 3.08Å; V324-R364 PolarHBondContact N-O 3.42Å; V324-R364 PolarHBondContact O-N 2.92Å; V324-V366 HydrophobicContact CB-CG2 4.21Å; V324-V366 HydrophobicContact CG2-CB 4.38Å; V324-V366 HydrophobicContact CG2-CG2 3.74Å; V324-F386 HydrophobicContact CG1-CE1 3.7Å; V324-F386 HydrophobicContact CG1-CZ 4.08Å; V324-F386 HydrophobicContact CG2-CE1 4.31Å; V324-F386 HydrophobicContact CG2-CZ 3.81Å |
| 325 | P | 93.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 136.2 | 172.1 | -24.2 | 34.6 | 0 | 0 | 0 | 111.6 | A327 Q328 C329 V395 | P325-A327 PolarHBondContact O-N 3.4Å; P325-Q328 PolarHBondContact O-N 2.61Å; P325-C329 PolarHBondContact O-N 3.16Å; P325-C329 PolarHBondContact O-SG 3.4Å; P325-V395 HydrophobicContact CB-CG1 4.16Å; P325-V395 HydrophobicContact CB-CG2 4Å; P325-V395 HydrophobicContact CG-CG1 3.81Å; P325-V395 HydrophobicContact CG-CG2 3.98Å |
| 326 | V | 91 | Very high | 91.3 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -52.5 | -34.1 | -178.5 | 168.3 | 0 | 0 | 0 | 0 | 112.5 | V324 Q328 C329 A357 T362 R364 | V324-V326 PolarHBondContact O-N 3.08Å; V326-Q328 VanDerWaalsContact C-N 3.32Å; V326-Q328 PolarHBondContact O-N 2.98Å; V326-C329 PolarHBondContact O-N 3.48Å; V326-A357 HydrophobicContact CG2-CB 4.02Å; V326-T362 WeakPolarHBondContact CG2-O 3.39Å; V326-T362 PolarHBondContact N-O 2.77Å; V326-R364 HydrophobicContact CG2-CB 4.03Å |
| 327 | A | 90.5 | Very high | 92.3 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -31.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | P325 | P325-A327 PolarHBondContact O-N 3.4Å |
| 328 | Q | 91.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 43 Ų | 43 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -90.6 | -23.3 | 178.1 | -73.1 | -176.2 | -51.8 | 0 | 0 | 113.1 | V324 P325 V326 G330 S331 I332 F386 C389 N391 | V324-Q328 HydrophobicContact CG1-CB 3.95Å; P325-Q328 PolarHBondContact O-N 2.61Å; V326-Q328 VanDerWaalsContact C-N 3.32Å; V326-Q328 PolarHBondContact O-N 2.98Å; Q328-G330 PolarHBondContact O-N 3.26Å; Q328-G330 VanDerWaalsContact O-N 3.14Å; Q328-S331 PolarHBondContact O-N 3Å; Q328-I332 PolarHBondContact O-N 3.2Å; Q328-F386 HydrophobicContact CB-CD1 4.44Å; Q328-F386 HydrophobicContact CB-CE1 4.38Å; Q328-C389 PolarHBondContact NE2-O 3.2Å; Q328-N391 HydrophobicContact CG-CB 4.08Å |
| 329 | C | 91.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.4 | -32.6 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 113.1 | P325 V326 S331 I332 I333 | P325-C329 PolarHBondContact O-N 3.16Å; P325-C329 PolarHBondContact O-SG 3.4Å; V326-C329 PolarHBondContact O-N 3.48Å; C329-S331 VanDerWaalsContact C-N 3.3Å; C329-S331 PolarHBondContact O-N 3.35Å; C329-I332 PolarHBondContact O-N 3.27Å; C329-I333 WeakPolarHBondContact O-CG1 3.46Å; C329-I333 PolarHBondContact O-N 2.92Å; C329-I333 VanDerWaalsContact O-N 3.08Å |
| 330 | G | 92 | Very high | 93.3 | Very high | 48 Ų | 48 | 43 Ų | 43 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61 | -35 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q328 G334 | Q328-G330 PolarHBondContact O-N 3.26Å; Q328-G330 VanDerWaalsContact O-N 3.14Å; G330-G334 PolarHBondContact O-N 3.14Å |
| 331 | S | 91.8 | Very high | 93.4 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.3 | -35.6 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | Q328 C329 C389 | Q328-S331 PolarHBondContact O-N 3Å; C329-S331 VanDerWaalsContact C-N 3.3Å; C329-S331 PolarHBondContact O-N 3.35Å; S331-C389 WeakPolarHBondContact OG-CB 3.3Å; S331-C389 PolarHBondContact OG-SG 3.5Å |
| 332 | I | 93.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 171.7 | -58.9 | 174.7 | 0 | 0 | 0 | 110.3 | V324 Q328 C329 K339 I340 V366 L382 I385 F386 | V324-I332 HydrophobicContact CB-CD1 4.46Å; V324-I332 HydrophobicContact CG1-CD1 3.88Å; V324-I332 HydrophobicContact CG2-CD1 4.06Å; Q328-I332 PolarHBondContact O-N 3.2Å; C329-I332 PolarHBondContact O-N 3.27Å; I332-K339 CarbonylContact O-C 3.51Å; I332-K339 WeakPolarHBondContact O-CB 3.12Å; I332-I340 WeakPolarHBondContact O-CB 3.42Å; I332-I340 PolarHBondContact O-N 3.22Å; I332-I340 VanDerWaalsContact O-N 3.08Å; I332-V366 HydrophobicContact CD1-CG2 4.41Å; I332-L382 HydrophobicContact CD1-CD2 4.33Å; I332-L382 HydrophobicContact CG1-CD2 4.2Å; I332-L382 HydrophobicContact CG2-CD2 3.73Å; I332-I385 HydrophobicContact CG1-CG2 4.39Å; I332-F386 HydrophobicContact CD1-CE1 3.73Å; I332-F386 HydrophobicContact CD1-CZ 3.78Å; I332-F386 HydrophobicContact CG1-CE1 4.11Å; I332-F386 HydrophobicContact CG1-CZ 4.43Å |
| 333 | I | 94.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 48 Ų | 48 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.5 | -45.8 | -178.4 | -63.5 | 166.5 | 0 | 0 | 0 | 110.3 | C329 G337 S338 K339 I340 V353 | C329-I333 WeakPolarHBondContact O-CG1 3.46Å; C329-I333 PolarHBondContact O-N 2.92Å; C329-I333 VanDerWaalsContact O-N 3.08Å; I333-G337 CarbonylContact O-C 3.45Å; I333-G337 WeakPolarHBondContact O-CA 3.26Å; I333-S338 PolarHBondContact O-N 3.13Å; I333-K339 PolarHBondContact O-N 2.85Å; I333-I340 HydrophobicContact CB-CG2 4.44Å; I333-I340 HydrophobicContact CG2-CG2 4.23Å; I333-I340 PolarHBondContact O-N 3.35Å; I333-V353 HydrophobicContact CD1-CG1 4.27Å; I333-V353 HydrophobicContact CG1-CG2 4.41Å |
| 334 | G | 92.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | trans | 72.8 | 171.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G330 G336 G337 | G330-G334 PolarHBondContact O-N 3.14Å; G334-G336 PolarHBondContact O-N 3.22Å; G334-G337 PolarHBondContact O-N 3.27Å; G334-G337 VanDerWaalsContact O-N 3.11Å | ||
| 335 | K | 93.8 | Very high | 93.6 | Very high | 205 Ų | 205 | 58.9 Ų | 58.9 | 89% | 0.891 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -60.1 | 123.2 | 178.2 | -63.3 | 175.5 | -175.8 | 173.4 | 0 | 109.3 | G337 S338 | K335-G337 PolarHBondContact O-N 3.24Å; K335-G337 VanDerWaalsContact O-N 3.16Å; K335-S338 PolarHBondContact O-N 3.47Å |
| 336 | G | 93.6 | Very high | 93.7 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 96% | 0.959 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | 64.3 | 12.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G334 | G334-G336 PolarHBondContact O-N 3.22Š|
| 337 | G | 93.7 | Very high | 93.9 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | 81.5 | 11.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I333 G334 K335 I340 K341 | I333-G337 CarbonylContact O-C 3.45Å; I333-G337 WeakPolarHBondContact O-CA 3.26Å; G334-G337 PolarHBondContact O-N 3.27Å; G334-G337 VanDerWaalsContact O-N 3.11Å; K335-G337 PolarHBondContact O-N 3.24Å; K335-G337 VanDerWaalsContact O-N 3.16Å; G337-I340 VanDerWaalsContact O-CG2 3.28Å; G337-I340 WeakPolarHBondContact O-CG2 3.33Å; G337-K341 WeakPolarHBondContact O-CB 3.41Å; G337-K341 PolarHBondContact O-N 3Å |
| 338 | S | 95.4 | Very high | 94 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.8 | -58.8 | -179.1 | -165 | 0 | 0 | 0 | 0 | 111.7 | I333 K335 I340 K341 D342 | I333-S338 PolarHBondContact O-N 3.13Å; K335-S338 PolarHBondContact O-N 3.47Å; S338-I340 VanDerWaalsContact C-N 3.32Å; S338-I340 PolarHBondContact O-N 3.18Å; S338-K341 CarbonylContact O-C 3.56Å; S338-K341 WeakPolarHBondContact O-CA 3.39Å; S338-K341 VanDerWaalsContact O-CB 3.3Å; S338-K341 WeakPolarHBondContact O-CB 3.18Å; S338-K341 PolarHBondContact O-N 3.45Å; S338-D342 VanDerWaalsContact C-OD2 3.23Å; S338-D342 PolarHBondContact O-N 3.31Å; S338-D342 PolarHBondContact OG-OD2 3.28Å |
| 339 | K | 94.9 | Very high | 94.2 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.5 | -42.7 | -174.7 | -73.1 | -85.4 | -170.6 | 154.6 | 0 | 112.2 | I332 I333 D342 V343 E388 | I332-K339 CarbonylContact O-C 3.51Å; I332-K339 WeakPolarHBondContact O-CB 3.12Å; I333-K339 PolarHBondContact O-N 2.85Å; K339-D342 PolarHBondContact O-N 3.15Å; K339-V343 VanDerWaalsContact O-CG2 3.26Å; K339-V343 WeakPolarHBondContact O-CG2 3.44Å; K339-V343 PolarHBondContact O-N 3.29Å; K339-E388 IonicContact NZ-OE1 3.92Å; K339-E388 IonicContact NZ-OE2 3.87Å; K339-E388 PolarHBondContact NZ-OE2 2.76Å |
| 340 | I | 95 | Very high | 94.3 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 5% | 0.046 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.6 | -31.7 | 176.5 | -171 | 168.7 | 0 | 0 | 0 | 112.7 | I332 I333 G337 S338 R344 I351 V353 | I332-I340 WeakPolarHBondContact O-CB 3.42Å; I332-I340 PolarHBondContact O-N 3.22Å; I332-I340 VanDerWaalsContact O-N 3.08Å; I333-I340 HydrophobicContact CB-CG2 4.44Å; I333-I340 HydrophobicContact CG2-CG2 4.23Å; I333-I340 PolarHBondContact O-N 3.35Å; G337-I340 VanDerWaalsContact O-CG2 3.28Å; G337-I340 WeakPolarHBondContact O-CG2 3.33Å; S338-I340 VanDerWaalsContact C-N 3.32Å; S338-I340 PolarHBondContact O-N 3.18Å; I340-R344 WeakPolarHBondContact O-CB 3.3Å; I340-R344 WeakPolarHBondContact O-CD 3.44Å; I340-R344 WeakPolarHBondContact O-CG 3.2Å; I340-R344 PolarHBondContact O-N 3.5Å; I340-R344 VanDerWaalsContact O-N 3.07Å; I340-I351 HydrophobicContact CD1-CB 4.41Å; I340-I351 HydrophobicContact CD1-CG2 3.96Å; I340-I351 HydrophobicContact CG1-CB 4.46Å; I340-I351 HydrophobicContact CG1-CG2 4.33Å; I340-V353 HydrophobicContact CD1-CG2 3.6Å |
| 341 | K | 95.2 | Very high | 94.5 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -49.2 | 171.7 | -170.7 | -161.1 | 170.2 | -140.7 | 0 | 110.1 | G337 S338 V343 R344 E345 | G337-K341 WeakPolarHBondContact O-CB 3.41Å; G337-K341 PolarHBondContact O-N 3Å; S338-K341 CarbonylContact O-C 3.56Å; S338-K341 WeakPolarHBondContact O-CA 3.39Å; S338-K341 VanDerWaalsContact O-CB 3.3Å; S338-K341 WeakPolarHBondContact O-CB 3.18Å; S338-K341 PolarHBondContact O-N 3.45Å; K341-V343 PolarHBondContact O-N 3Å; K341-R344 WeakPolarHBondContact O-CB 3.36Å; K341-R344 PolarHBondContact O-N 2.93Å; K341-R344 VanDerWaalsContact O-N 3.16Å; K341-E345 IonicContact NZ-OE2 2.78Å; K341-E345 WeakPolarHBondContact O-CB 3.49Å; K341-E345 PolarHBondContact O-N 3.2Å |
| 342 | D | 95.3 | Very high | 94.6 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | -179.7 | -50.7 | -30.2 | 0 | 0 | 0 | 110.5 | S338 K339 R344 E345 L346 | S338-D342 VanDerWaalsContact C-OD2 3.23Å; S338-D342 PolarHBondContact O-N 3.31Å; S338-D342 PolarHBondContact OG-OD2 3.28Å; K339-D342 PolarHBondContact O-N 3.15Å; D342-R344 PolarHBondContact O-N 3.4Å; D342-E345 PolarHBondContact O-N 3.17Å; D342-L346 WeakPolarHBondContact O-CB 3.4Å; D342-L346 VanDerWaalsContact O-CG 3.24Å; D342-L346 WeakPolarHBondContact O-CG 3.49Å; D342-L346 PolarHBondContact O-N 3.05Å |
| 343 | V | 95.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 66.1 Ų | 66.1 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 112.3 | K339 K341 T347 I351 L381 I385 | K339-V343 VanDerWaalsContact O-CG2 3.26Å; K339-V343 WeakPolarHBondContact O-CG2 3.44Å; K339-V343 PolarHBondContact O-N 3.29Å; K341-V343 PolarHBondContact O-N 3Å; V343-T347 HydrophobicContact CG1-CG2 4.24Å; V343-T347 WeakPolarHBondContact O-CB 3.36Å; V343-T347 WeakPolarHBondContact O-CG2 3.42Å; V343-T347 PolarHBondContact O-N 3.08Å; V343-T347 PolarHBondContact O-OG1 3.28Å; V343-I351 HydrophobicContact CB-CD1 4.3Å; V343-I351 HydrophobicContact CG1-CD1 3.61Å; V343-L381 HydrophobicContact CG1-CB 4.29Å; V343-L381 HydrophobicContact CG1-CD1 4.23Å; V343-L381 HydrophobicContact CG2-CB 4.4Å; V343-L381 HydrophobicContact CG2-CD1 4.49Å; V343-I385 HydrophobicContact CG2-CD1 3.89Å |
| 344 | R | 95.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 65 Ų | 65 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 173.6 | -72.7 | 166.8 | -177.6 | 154.5 | -2.4 | 111.3 | I340 K341 D342 T347 G348 I351 | I340-R344 WeakPolarHBondContact O-CB 3.3Å; I340-R344 WeakPolarHBondContact O-CD 3.44Å; I340-R344 WeakPolarHBondContact O-CG 3.2Å; I340-R344 PolarHBondContact O-N 3.5Å; I340-R344 VanDerWaalsContact O-N 3.07Å; K341-R344 WeakPolarHBondContact O-CB 3.36Å; K341-R344 PolarHBondContact O-N 2.93Å; K341-R344 VanDerWaalsContact O-N 3.16Å; D342-R344 PolarHBondContact O-N 3.4Å; R344-T347 PolarHBondContact O-N 3.1Å; R344-G348 WeakPolarHBondContact O-CA 3.28Å; R344-G348 PolarHBondContact O-N 3.22Å; R344-I351 HydrophobicContact CG-CB 3.98Å; R344-I351 HydrophobicContact CG-CD1 3.96Å; R344-I351 HydrophobicContact CG-CG1 3.98Å; R344-I351 PolarHBondContact NE-O 2.9Å; R344-I351 PolarHBondContact NH2-O 3.45Å |
| 345 | E | 95.5 | Very high | 94.6 | Very high | 138 Ų | 138 | 69.2 Ų | 69.2 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | -178.8 | -167 | 165.2 | 164.9 | 0 | 0 | 111.7 | K341 D342 T347 | K341-E345 IonicContact NZ-OE2 2.78Å; K341-E345 WeakPolarHBondContact O-CB 3.49Å; K341-E345 PolarHBondContact O-N 3.2Å; D342-E345 PolarHBondContact O-N 3.17Å; E345-T347 VanDerWaalsContact C-N 3.33Å; E345-T347 PolarHBondContact O-N 3.15Å |
| 346 | L | 95.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 64.3 Ų | 64.3 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.2 | -25.8 | 178 | -70.5 | 170.2 | 0 | 0 | 0 | 114.4 | D342 L381 | D342-L346 WeakPolarHBondContact O-CB 3.4Å; D342-L346 VanDerWaalsContact O-CG 3.24Å; D342-L346 WeakPolarHBondContact O-CG 3.49Å; D342-L346 PolarHBondContact O-N 3.05Å; L346-L381 HydrophobicContact CB-CD1 4.11Å; L346-L381 HydrophobicContact CD1-CD1 4.2Å |
| 347 | T | 95.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.043 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -106.2 | -22.9 | -172.3 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | V343 R344 E345 A349 S374 K377 C378 L381 | V343-T347 HydrophobicContact CG1-CG2 4.24Å; V343-T347 WeakPolarHBondContact O-CB 3.36Å; V343-T347 WeakPolarHBondContact O-CG2 3.42Å; V343-T347 PolarHBondContact O-N 3.08Å; V343-T347 PolarHBondContact O-OG1 3.28Å; R344-T347 PolarHBondContact O-N 3.1Å; E345-T347 VanDerWaalsContact C-N 3.33Å; E345-T347 PolarHBondContact O-N 3.15Å; T347-A349 PolarHBondContact O-N 2.66Å; T347-A349 WeakPolarHBondContact OG1-CB 3.3Å; T347-A349 PolarHBondContact OG1-N 3.49Å; T347-A349 VanDerWaalsContact OG1-N 3.15Å; T347-S374 VanDerWaalsContact O-CB 3.24Å; T347-S374 WeakPolarHBondContact O-CB 3.42Å; T347-S374 PolarHBondContact O-OG 3.37Å; T347-K377 HydrophobicContact CG2-CB 4.3Å; T347-C378 HydrophobicContact CG2-CB 3.83Å; T347-L381 HydrophobicContact CG2-CD1 3.72Å |
| 348 | G | 93.3 | Very high | 94.2 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 63% | 0.629 | 35% | 0.348 | S | S | * | . | trans | 67.5 | 6.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114 | R344 | R344-G348 WeakPolarHBondContact O-CA 3.28Å; R344-G348 PolarHBondContact O-N 3.22Å | ||
| 349 | A | 94 | Very high | 93.9 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | trans | -86.4 | 139.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T347 I351 I368 C378 | T347-A349 PolarHBondContact O-N 2.66Å; T347-A349 WeakPolarHBondContact OG1-CB 3.3Å; T347-A349 PolarHBondContact OG1-N 3.49Å; T347-A349 VanDerWaalsContact OG1-N 3.15Å; A349-I351 HydrophobicContact CB-CG1 4.5Å; A349-I351 PolarHBondContact O-N 3.4Å; A349-I368 HydrophobicContact CB-CG2 4.24Å; A349-C378 HydrophobicContact CB-CB 4.17Å | ||
| 350 | S | 94.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 107.2 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | S369 | S350-S369 WeakPolarHBondContact CB-OG 3.1Å; S350-S369 PolarHBondContact N-O 2.99Å; S350-S369 PolarHBondContact O-N 2.77Å; S350-S369 PolarHBondContact O-OG 2.9Å |
| 351 | I | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.4 | -178.6 | -51.7 | 170.7 | 0 | 0 | 0 | 108.9 | I340 V343 R344 A349 V366 T367 I368 C378 | I340-I351 HydrophobicContact CD1-CB 4.41Å; I340-I351 HydrophobicContact CD1-CG2 3.96Å; I340-I351 HydrophobicContact CG1-CB 4.46Å; I340-I351 HydrophobicContact CG1-CG2 4.33Å; V343-I351 HydrophobicContact CB-CD1 4.3Å; V343-I351 HydrophobicContact CG1-CD1 3.61Å; R344-I351 HydrophobicContact CG-CB 3.98Å; R344-I351 HydrophobicContact CG-CD1 3.96Å; R344-I351 HydrophobicContact CG-CG1 3.98Å; R344-I351 PolarHBondContact NE-O 2.9Å; R344-I351 PolarHBondContact NH2-O 3.45Å; A349-I351 HydrophobicContact CB-CG1 4.5Å; A349-I351 PolarHBondContact O-N 3.4Å; I351-V366 HydrophobicContact CG2-CG1 3.72Å; I351-T367 CarbonylContact C-O 3.6Å; I351-T367 WeakPolarHBondContact CA-O 3.24Å; I351-I368 HydrophobicContact CG2-CG1 4.45Å; I351-C378 WeakPolarHBondContact CD1-SG 3.26Å |
| 352 | Q | 94.7 | Very high | 93.2 | Very high | 115 Ų | 115 | 60.6 Ų | 60.6 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.8 | 179.1 | -58.3 | 179.6 | 3.3 | 0 | 0 | 109.8 | V366 T367 | Q352-V366 CarbonylContact O-C 3.59Å; Q352-V366 WeakPolarHBondContact O-CA 3.34Å; Q352-T367 PolarHBondContact N-O 3.45Å; Q352-T367 PolarHBondContact O-N 3.36Å |
| 353 | V | 94.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.3 | 178 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | I333 I340 R364 V366 | I333-V353 HydrophobicContact CD1-CG1 4.27Å; I333-V353 HydrophobicContact CG1-CG2 4.41Å; I340-V353 HydrophobicContact CD1-CG2 3.6Å; V353-R364 HydrophobicContact CG1-CG 4.31Å; V353-V366 HydrophobicContact CG1-CG2 4.37Å; V353-V366 HydrophobicContact CG2-CG1 4.11Å; V353-V366 HydrophobicContact CG2-CG2 4.12Å |
| 354 | A | 94.3 | Very high | 93 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | trans | -61.9 | 146.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R364 T365 | A354-R364 HydrophobicContact CB-CG 4.2Å; A354-R364 WeakPolarHBondContact O-CD 2.96Å; A354-R364 WeakPolarHBondContact O-CG 3.36Å; A354-R364 VanDerWaalsContact O-CZ 3.27Å; A354-R364 PolarHBondContact O-NE 2.94Å; A354-R364 PolarHBondContact O-NH1 3.35Å; A354-T365 WeakPolarHBondContact CB-O 3.29Å; A354-T365 WeakPolarHBondContact CB-OG1 3.3Å; A354-T365 PolarHBondContact N-O 2.87Å | ||
| 355 | S | 91.3 | Very high | 93 | Very high | 107 Ų | 107 | 55.5 Ų | 55.5 | 75% | 0.748 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -74.5 | -25.3 | -179.1 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | R364 | S355-R364 PolarHBondContact O-NH1 2.83Å; S355-R364 PolarHBondContact O-NH2 3.39Å |
| 356 | E | 92 | Very high | 93 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 48% | 0.477 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -114.4 | 160.9 | -175.7 | -65 | -177.1 | -161.9 | 0 | 0 | 111.6 | H534 | E356-H534 IonicContact OE2-CE1 3.63Å; E356-H534 IonicContact OE2-ND1 3.88Å |
| 357 | A | 90.9 | Very high | 93 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 156.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V326 | V326-A357 HydrophobicContact CG2-CB 4.02Š|
| 358 | L | 90.5 | Very high | 93 | Very high | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 145.6 | 172.6 | -71.2 | 177.7 | 0 | 0 | 0 | 110.7 | L237 L323 T360 S361 E363 T365 Y398 | L237-L358 HydrophobicContact CD2-CD1 4.33Å; L323-L358 HydrophobicContact CD2-CD1 3.4Å; L358-T360 PolarHBondContact O-N 2.8Å; L358-S361 PolarHBondContact O-N 2.83Å; L358-S361 VanDerWaalsContact O-N 3.08Å; L358-E363 PolarHBondContact N-O 3.07Å; L358-T365 HydrophobicContact CD1-CG2 3.96Å; L358-T365 HydrophobicContact CD2-CG2 3.98Å; L358-T365 HydrophobicContact CG-CG2 4.15Å; L358-Y398 HydrophobicContact CB-CD2 3.73Å; L358-Y398 HydrophobicContact CB-CE2 4.08Å; L358-Y398 HydrophobicContact CB-CG 4.19Å; L358-Y398 HydrophobicContact CD1-CD1 3.67Å; L358-Y398 HydrophobicContact CD1-CD2 3.97Å; L358-Y398 HydrophobicContact CD1-CE1 4.13Å; L358-Y398 HydrophobicContact CD1-CE2 4.39Å; L358-Y398 HydrophobicContact CD1-CG 3.6Å; L358-Y398 HydrophobicContact CG-CD2 4.48Å |
| 359 | P | 88.1 | Confident | 93 | Very high | 89 Ų | 89 | 42 Ų | 42 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.8 | -179 | 24.7 | -34.1 | 0 | 0 | 0 | 110.6 | S361 Y398 | P359-S361 PolarHBondContact O-N 2.94Å; P359-Y398 HydrophobicContact CG-CE2 4.37Å |
| 360 | T | 88.6 | Confident | 93 | Very high | 94 Ų | 94 | 42.4 Ų | 42.4 | 58% | 0.577 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 22.4 | -176.3 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | L358 | L358-T360 PolarHBondContact O-N 2.8Š|
| 361 | S | 90.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -138.3 | 155.3 | -179.2 | -178 | 0 | 0 | 0 | 0 | 112.2 | L358 P359 E363 I396 Y398 | L358-S361 PolarHBondContact O-N 2.83Å; L358-S361 VanDerWaalsContact O-N 3.08Å; P359-S361 PolarHBondContact O-N 2.94Å; S361-E363 VanDerWaalsContact C-N 3.33Å; S361-E363 WeakPolarHBondContact OG-CB 3.38Å; S361-E363 PolarHBondContact OG-N 2.81Å; S361-I396 PolarHBondContact OG-O 3.24Å; S361-Y398 WeakPolarHBondContact OG-CA 3.37Å; S361-Y398 PolarHBondContact OG-N 2.71Å; S361-Y398 VanDerWaalsContact OG-N 3.13Å |
| 362 | T | 91.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -92.8 | 6.4 | 166.3 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | V326 I396 | V326-T362 WeakPolarHBondContact CG2-O 3.39Å; V326-T362 PolarHBondContact N-O 2.77Å; T362-I396 HydrophobicContact CG2-CB 4.02Å; T362-I396 HydrophobicContact CG2-CD1 4.22Å; T362-I396 HydrophobicContact CG2-CG1 4.07Å; T362-I396 PolarHBondContact N-O 3.23Å; T362-I396 PolarHBondContact OG1-N 3.22Å; T362-I396 PolarHBondContact OG1-O 3.36Å |
| 363 | E | 93.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 149.5 | 177.9 | -61.1 | 171 | 138 | 0 | 0 | 111.7 | R235 V324 L358 S361 V395 L397 Y398 | R235-E363 IonicContact CZ-OE1 3.56Å; R235-E363 IonicContact CZ-OE2 2.69Å; R235-E363 IonicContact NH1-OE1 3.85Å; R235-E363 PolarHBondContact NH1-OE1 3.49Å; R235-E363 IonicContact NH1-OE2 2.61Å; R235-E363 PolarHBondContact NH1-OE2 3.16Å; V324-E363 CarbonylContact O-C 3.57Å; V324-E363 WeakPolarHBondContact O-CA 3.08Å; L358-E363 PolarHBondContact N-O 3.07Å; S361-E363 VanDerWaalsContact C-N 3.33Å; S361-E363 WeakPolarHBondContact OG-CB 3.38Å; S361-E363 PolarHBondContact OG-N 2.81Å; E363-V395 HydrophobicContact CG-CG1 4.38Å; E363-L397 WeakPolarHBondContact OE1-CD2 3.49Å; E363-Y398 VanDerWaalsContact OE2-CB 3.31Å; E363-Y398 WeakPolarHBondContact OE2-CB 3.47Å; E363-Y398 PolarHBondContact OE2-N 3.28Å |
| 364 | R | 94.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.4 | -179.2 | 171.3 | 179.3 | -70 | -137.5 | 5.2 | 108.2 | V324 V326 V353 A354 S355 | V324-R364 PolarHBondContact N-O 3.42Å; V324-R364 PolarHBondContact O-N 2.92Å; V326-R364 HydrophobicContact CG2-CB 4.03Å; V353-R364 HydrophobicContact CG1-CG 4.31Å; A354-R364 HydrophobicContact CB-CG 4.2Å; A354-R364 WeakPolarHBondContact O-CD 2.96Å; A354-R364 WeakPolarHBondContact O-CG 3.36Å; A354-R364 VanDerWaalsContact O-CZ 3.27Å; A354-R364 PolarHBondContact O-NE 2.94Å; A354-R364 PolarHBondContact O-NH1 3.35Å; S355-R364 PolarHBondContact O-NH1 2.83Å; S355-R364 PolarHBondContact O-NH2 3.39Å |
| 365 | T | 94.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.3 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | L237 L322 L323 A354 L358 | L237-T365 HydrophobicContact CD2-CG2 3.94Å; L322-T365 CarbonylContact O-C 3.11Å; L322-T365 WeakPolarHBondContact O-CA 3.46Å; L323-T365 HydrophobicContact CD2-CG2 3.79Å; A354-T365 WeakPolarHBondContact CB-O 3.29Å; A354-T365 WeakPolarHBondContact CB-OG1 3.3Å; A354-T365 PolarHBondContact N-O 2.87Å; L358-T365 HydrophobicContact CD1-CG2 3.96Å; L358-T365 HydrophobicContact CD2-CG2 3.98Å; L358-T365 HydrophobicContact CG-CG2 4.15Å |
| 366 | V | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.2 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | L322 V324 I332 I351 Q352 V353 I368 | L322-V366 HydrophobicContact CB-CB 4.41Å; L322-V366 PolarHBondContact N-O 2.89Å; L322-V366 PolarHBondContact O-N 3.49Å; V324-V366 HydrophobicContact CB-CG2 4.21Å; V324-V366 HydrophobicContact CG2-CB 4.38Å; V324-V366 HydrophobicContact CG2-CG2 3.74Å; I332-V366 HydrophobicContact CD1-CG2 4.41Å; I351-V366 HydrophobicContact CG2-CG1 3.72Å; Q352-V366 CarbonylContact O-C 3.59Å; Q352-V366 WeakPolarHBondContact O-CA 3.34Å; V353-V366 HydrophobicContact CG1-CG2 4.37Å; V353-V366 HydrophobicContact CG2-CG1 4.11Å; V353-V366 HydrophobicContact CG2-CG2 4.12Å; V366-I368 HydrophobicContact CG1-CG1 4.41Å |
| 367 | T | 95.1 | Very high | 92.9 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.8 | 176.9 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | L320 R321 I351 Q352 | L320-T367 CarbonylContact O-C 3.55Å; L320-T367 VanDerWaalsContact O-CA 3.3Å; L320-T367 WeakPolarHBondContact O-CA 3.43Å; R321-T367 HydrophobicContact CG-CG2 4.3Å; I351-T367 CarbonylContact C-O 3.6Å; I351-T367 WeakPolarHBondContact CA-O 3.24Å; Q352-T367 PolarHBondContact N-O 3.45Å; Q352-T367 PolarHBondContact O-N 3.36Å |
| 368 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.4 | 176.4 | -54.9 | 167.5 | 0 | 0 | 0 | 106.9 | T319 L320 A349 I351 V366 I375 C378 I379 L382 | T319-I368 WeakPolarHBondContact CA-O 3.15Å; L320-I368 PolarHBondContact N-O 3.11Å; L320-I368 PolarHBondContact O-N 3.16Å; A349-I368 HydrophobicContact CB-CG2 4.24Å; I351-I368 HydrophobicContact CG2-CG1 4.45Å; V366-I368 HydrophobicContact CG1-CG1 4.41Å; I368-I375 HydrophobicContact CG2-CG1 4.28Å; I368-C378 HydrophobicContact CG2-CB 4.31Å; I368-I379 HydrophobicContact CD1-CD1 3.73Å; I368-L382 HydrophobicContact CD1-CD1 3.57Å |
| 369 | S | 93.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.1 | 177.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | V318 S350 | V318-S369 WeakPolarHBondContact O-CA 3.34Å; S350-S369 WeakPolarHBondContact CB-OG 3.1Å; S350-S369 PolarHBondContact N-O 2.99Å; S350-S369 PolarHBondContact O-N 2.77Å; S350-S369 PolarHBondContact O-OG 2.9Å |
| 370 | G | 93.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -163.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P317 V318 | P317-G370 CarbonylContact C-O 3.55Å; P317-G370 WeakPolarHBondContact CA-O 3.26Å; V318-G370 PolarHBondContact N-O 3.05Å; V318-G370 PolarHBondContact O-N 3.08Å; V318-G370 VanDerWaalsContact O-N 3.16Å |
| 371 | T | 93 | Very high | 93.8 | Very high | 70 Ų | 70 | 29.9 Ų | 29.9 | 43% | 0.429 | 16% | 0.156 | S | C | . | . | trans | -75.9 | 163.8 | 168.9 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | E298 D373 S374 I375 | E298-T371 WeakPolarHBondContact OE1-CA 3.26Å; T371-D373 VanDerWaalsContact C-N 3.25Å; T371-D373 PolarHBondContact O-N 2.79Å; T371-S374 PolarHBondContact O-N 3.07Å; T371-S374 PolarHBondContact OG1-N 3.07Å; T371-S374 PolarHBondContact OG1-OG 2.75Å; T371-I375 WeakPolarHBondContact O-CG1 3.37Å; T371-I375 PolarHBondContact O-N 2.87Å | ||
| 372 | A | 92.1 | Very high | 94 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.8 | -39.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | S294 R295 E298 S376 | S294-A372 WeakPolarHBondContact OG-CA 3.48Å; S294-A372 VanDerWaalsContact OG-CB 3.32Å; S294-A372 WeakPolarHBondContact OG-CB 3.2Å; S294-A372 PolarHBondContact OG-O 3.42Å; R295-A372 HydrophobicContact CG-CB 3.97Å; E298-A372 VanDerWaalsContact CD-CB 3.45Å; E298-A372 HydrophobicContact CG-CB 4.33Å; E298-A372 PolarHBondContact OE1-N 3.44Å; E298-A372 WeakPolarHBondContact OE2-CB 3.46Å; A372-S376 WeakPolarHBondContact O-CB 3.49Å; A372-S376 PolarHBondContact O-N 3.22Å; A372-S376 PolarHBondContact O-OG 2.94Å |
| 373 | D | 93.3 | Very high | 94 | Very high | 70 Ų | 70 | 27.2 Ų | 27.2 | 37% | 0.374 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -72.6 | -42.6 | 178.7 | -67.8 | -29.6 | 0 | 0 | 0 | 112.2 | T371 I375 S376 K377 | T371-D373 VanDerWaalsContact C-N 3.25Å; T371-D373 PolarHBondContact O-N 2.79Å; D373-I375 PolarHBondContact O-N 3.5Å; D373-S376 PolarHBondContact O-N 2.92Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 PolarHBondContact O-N 2.8Å |
| 374 | S | 94.5 | Very high | 94 | Very high | 23 Ų | 23 | 30.4 Ų | 30.4 | 16% | 0.161 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.8 | -78 | 0 | 0 | 0 | 0 | 112 | T347 T371 C378 | T347-S374 VanDerWaalsContact O-CB 3.24Å; T347-S374 WeakPolarHBondContact O-CB 3.42Å; T347-S374 PolarHBondContact O-OG 3.37Å; T371-S374 PolarHBondContact O-N 3.07Å; T371-S374 PolarHBondContact OG1-N 3.07Å; T371-S374 PolarHBondContact OG1-OG 2.75Å; S374-C378 VanDerWaalsContact O-CB 3.26Å; S374-C378 WeakPolarHBondContact O-CB 3.33Å; S374-C378 PolarHBondContact O-N 2.96Å |
| 375 | I | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 174 | -68.7 | 169.2 | 0 | 0 | 0 | 110.6 | V318 L320 I368 T371 D373 K377 C378 I379 | V318-I375 HydrophobicContact CB-CD1 3.73Å; V318-I375 HydrophobicContact CG1-CD1 3.93Å; L320-I375 HydrophobicContact CD1-CG2 3.61Å; I368-I375 HydrophobicContact CG2-CG1 4.28Å; T371-I375 WeakPolarHBondContact O-CG1 3.37Å; T371-I375 PolarHBondContact O-N 2.87Å; D373-I375 PolarHBondContact O-N 3.5Å; I375-K377 PolarHBondContact O-N 3.18Å; I375-C378 WeakPolarHBondContact O-CB 3.46Å; I375-C378 PolarHBondContact O-N 3.48Å; I375-I379 HydrophobicContact CG2-CG1 4.46Å; I375-I379 WeakPolarHBondContact O-CG1 3.47Å; I375-I379 PolarHBondContact O-N 2.76Å |
| 376 | S | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 179.9 | -58 | 0 | 0 | 0 | 0 | 111.8 | Y287 T291 A372 D373 I379 R380 | Y287-S376 WeakPolarHBondContact CD2-O 3.46Å; Y287-S376 WeakPolarHBondContact CE2-O 3.49Å; T291-S376 WeakPolarHBondContact CA-OG 3.37Å; T291-S376 VanDerWaalsContact OG1-CB 3.26Å; T291-S376 WeakPolarHBondContact OG1-CB 3.32Å; T291-S376 PolarHBondContact OG1-OG 2.86Å; A372-S376 WeakPolarHBondContact O-CB 3.49Å; A372-S376 PolarHBondContact O-N 3.22Å; A372-S376 PolarHBondContact O-OG 2.94Å; D373-S376 PolarHBondContact O-N 2.92Å; S376-I379 PolarHBondContact O-N 2.58Å; S376-R380 PolarHBondContact O-N 3.49Å |
| 377 | K | 94.2 | Very high | 93.4 | Very high | 119 Ų | 119 | 31 Ų | 31 | 52% | 0.517 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.4 | -70.4 | 171.8 | -177.8 | 179 | 0 | 111.9 | T347 D373 I375 R380 L381 | T347-K377 HydrophobicContact CG2-CB 4.3Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 PolarHBondContact O-N 2.8Å; I375-K377 PolarHBondContact O-N 3.18Å; K377-R380 PolarHBondContact O-N 3.33Å; K377-L381 PolarHBondContact O-N 2.86Å |
| 378 | C | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | T347 A349 I351 I368 S374 I375 R380 L381 L382 | T347-C378 HydrophobicContact CG2-CB 3.83Å; A349-C378 HydrophobicContact CB-CB 4.17Å; I351-C378 WeakPolarHBondContact CD1-SG 3.26Å; I368-C378 HydrophobicContact CG2-CB 4.31Å; S374-C378 VanDerWaalsContact O-CB 3.26Å; S374-C378 WeakPolarHBondContact O-CB 3.33Å; S374-C378 PolarHBondContact O-N 2.96Å; I375-C378 WeakPolarHBondContact O-CB 3.46Å; I375-C378 PolarHBondContact O-N 3.48Å; C378-R380 VanDerWaalsContact C-N 3.32Å; C378-R380 PolarHBondContact O-N 3.44Å; C378-L381 PolarHBondContact O-N 2.63Å; C378-L382 WeakPolarHBondContact O-CG 3.27Å; C378-L382 PolarHBondContact O-N 3.05Å |
| 379 | I | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | 178 | -67 | -67.3 | 0 | 0 | 0 | 111.6 | L234 I286 F290 I368 I375 S376 L382 C383 | L234-I379 HydrophobicContact CD1-CG2 4.18Å; I286-I379 HydrophobicContact CG2-CG2 3.91Å; F290-I379 HydrophobicContact CB-CG1 4.44Å; F290-I379 HydrophobicContact CB-CG2 4.41Å; F290-I379 HydrophobicContact CD1-CD1 4.09Å; F290-I379 HydrophobicContact CD1-CG1 3.77Å; F290-I379 HydrophobicContact CD2-CG1 4.45Å; F290-I379 HydrophobicContact CD2-CG2 3.76Å; F290-I379 HydrophobicContact CE1-CD1 3.82Å; F290-I379 HydrophobicContact CE1-CG1 4.05Å; F290-I379 HydrophobicContact CE2-CG2 4.09Å; F290-I379 HydrophobicContact CG-CB 4.4Å; F290-I379 HydrophobicContact CG-CG1 3.98Å; F290-I379 HydrophobicContact CG-CG2 4Å; F290-I379 HydrophobicContact CZ-CD1 4.05Å; I368-I379 HydrophobicContact CD1-CD1 3.73Å; I375-I379 HydrophobicContact CG2-CG1 4.46Å; I375-I379 WeakPolarHBondContact O-CG1 3.47Å; I375-I379 PolarHBondContact O-N 2.76Å; S376-I379 PolarHBondContact O-N 2.58Å; I379-L382 PolarHBondContact O-N 3.2Å; I379-C383 PolarHBondContact O-N 2.94Å; I379-C383 PolarHBondContact O-SG 2.85Å |
| 380 | R | 93.9 | Very high | 92 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 38% | 0.377 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.9 | -54.4 | 175.8 | -167.9 | -180 | -174.4 | 94.1 | 4 | 111.3 | T283 E284 Y287 S376 K377 C378 L382 C383 D384 | T283-R380 HydrophobicContact CG2-CG 4.26Å; E284-R380 IonicContact OE1-NH1 3.8Å; E284-R380 IonicContact OE2-CZ 3.94Å; E284-R380 IonicContact OE2-NH1 3.32Å; E284-R380 PolarHBondContact OE2-NH1 3.04Å; E284-R380 IonicContact OE2-NH2 3.61Å; E284-R380 PolarHBondContact OE2-NH2 3.02Å; Y287-R380 HydrophobicContact CD2-CB 4.18Å; S376-R380 PolarHBondContact O-N 3.49Å; K377-R380 PolarHBondContact O-N 3.33Å; C378-R380 VanDerWaalsContact C-N 3.32Å; C378-R380 PolarHBondContact O-N 3.44Å; R380-L382 VanDerWaalsContact C-N 3.3Å; R380-L382 PolarHBondContact O-N 2.77Å; R380-C383 WeakPolarHBondContact O-CB 3.47Å; R380-C383 PolarHBondContact O-N 2.83Å; R380-C383 VanDerWaalsContact O-N 3.08Å; R380-D384 PolarHBondContact O-N 2.97Å; R380-D384 VanDerWaalsContact O-N 3.13Å |
| 381 | L | 93.8 | Very high | 91.3 | Very high | 54 Ų | 54 | 44 Ų | 44 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -36.1 | 178.6 | -63.2 | 179 | 0 | 0 | 0 | 113 | V343 L346 T347 K377 C378 D384 I385 | V343-L381 HydrophobicContact CG1-CB 4.29Å; V343-L381 HydrophobicContact CG1-CD1 4.23Å; V343-L381 HydrophobicContact CG2-CB 4.4Å; V343-L381 HydrophobicContact CG2-CD1 4.49Å; L346-L381 HydrophobicContact CB-CD1 4.11Å; L346-L381 HydrophobicContact CD1-CD1 4.2Å; T347-L381 HydrophobicContact CG2-CD1 3.72Å; K377-L381 PolarHBondContact O-N 2.86Å; C378-L381 PolarHBondContact O-N 2.63Å; L381-D384 PolarHBondContact O-N 3.16Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.04Å; L381-I385 VanDerWaalsContact O-N 3.15Å |
| 382 | L | 94.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.1 | -71.7 | 173.3 | 0 | 0 | 0 | 112.2 | L322 I332 I368 C378 I379 R380 D384 I385 F386 | L322-L382 HydrophobicContact CD2-CD1 4.47Å; I332-L382 HydrophobicContact CD1-CD2 4.33Å; I332-L382 HydrophobicContact CG1-CD2 4.2Å; I332-L382 HydrophobicContact CG2-CD2 3.73Å; I368-L382 HydrophobicContact CD1-CD1 3.57Å; C378-L382 WeakPolarHBondContact O-CG 3.27Å; C378-L382 PolarHBondContact O-N 3.05Å; I379-L382 PolarHBondContact O-N 3.2Å; R380-L382 VanDerWaalsContact C-N 3.3Å; R380-L382 PolarHBondContact O-N 2.77Å; L382-D384 VanDerWaalsContact C-N 3.32Å; L382-D384 PolarHBondContact O-N 2.82Å; L382-I385 PolarHBondContact O-N 3.26Å; L382-F386 HydrophobicContact CB-CE2 4.14Å; L382-F386 WeakPolarHBondContact O-CD2 3.45Å; L382-F386 VanDerWaalsContact O-CG 3.3Å; L382-F386 WeakPolarHBondContact O-CG 3.31Å; L382-F386 PolarHBondContact O-N 3.27Å |
| 383 | C | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | L232 T283 I379 R380 I385 F386 L387 | L232-C383 HydrophobicContact CD1-CB 3.56Å; T283-C383 HydrophobicContact CG2-CB 3.67Å; I379-C383 PolarHBondContact O-N 2.94Å; I379-C383 PolarHBondContact O-SG 2.85Å; R380-C383 WeakPolarHBondContact O-CB 3.47Å; R380-C383 PolarHBondContact O-N 2.83Å; R380-C383 VanDerWaalsContact O-N 3.08Å; C383-I385 VanDerWaalsContact C-N 3.34Å; C383-I385 PolarHBondContact O-N 2.8Å; C383-F386 PolarHBondContact O-N 2.86Å; C383-F386 VanDerWaalsContact O-N 3.14Å; C383-L387 WeakPolarHBondContact O-CG 3.39Å; C383-L387 PolarHBondContact O-N 3.35Å |
| 384 | D | 92.2 | Very high | 89.3 | Confident | 72 Ų | 72 | 54.2 Ų | 54.2 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 178.7 | -57.4 | -32.7 | 0 | 0 | 0 | 111.2 | R380 L381 L382 F386 L387 E388 | R380-D384 PolarHBondContact O-N 2.97Å; R380-D384 VanDerWaalsContact O-N 3.13Å; L381-D384 PolarHBondContact O-N 3.16Å; L382-D384 VanDerWaalsContact C-N 3.32Å; L382-D384 PolarHBondContact O-N 2.82Å; D384-F386 PolarHBondContact O-N 2.95Å; D384-L387 PolarHBondContact O-N 2.86Å; D384-E388 PolarHBondContact O-N 2.72Å |
| 385 | I | 92.1 | Very high | 89 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 173.1 | -66.1 | 165.5 | 0 | 0 | 0 | 112.1 | I332 V343 L381 L382 C383 L387 E388 C389 | I332-I385 HydrophobicContact CG1-CG2 4.39Å; V343-I385 HydrophobicContact CG2-CD1 3.89Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.04Å; L381-I385 VanDerWaalsContact O-N 3.15Å; L382-I385 PolarHBondContact O-N 3.26Å; C383-I385 VanDerWaalsContact C-N 3.34Å; C383-I385 PolarHBondContact O-N 2.8Å; I385-L387 VanDerWaalsContact C-N 3.33Å; I385-E388 PolarHBondContact O-N 2.91Å; I385-C389 PolarHBondContact O-N 3.38Å |
| 386 | F | 91.2 | Very high | 88.7 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.4 | -29.9 | 175.5 | -66.2 | -47.1 | 0 | 0 | 0 | 113.1 | L232 L234 L322 V324 Q328 I332 L382 C383 D384 C389 | L232-F386 HydrophobicContact CD2-CB 4.16Å; L234-F386 HydrophobicContact CD2-CD2 3.8Å; L234-F386 HydrophobicContact CD2-CE2 3.68Å; L322-F386 HydrophobicContact CD2-CE2 4.08Å; L322-F386 HydrophobicContact CD2-CZ 4.07Å; V324-F386 HydrophobicContact CG1-CE1 3.7Å; V324-F386 HydrophobicContact CG1-CZ 4.08Å; V324-F386 HydrophobicContact CG2-CE1 4.31Å; V324-F386 HydrophobicContact CG2-CZ 3.81Å; Q328-F386 HydrophobicContact CB-CD1 4.44Å; Q328-F386 HydrophobicContact CB-CE1 4.38Å; I332-F386 HydrophobicContact CD1-CE1 3.73Å; I332-F386 HydrophobicContact CD1-CZ 3.78Å; I332-F386 HydrophobicContact CG1-CE1 4.11Å; I332-F386 HydrophobicContact CG1-CZ 4.43Å; L382-F386 HydrophobicContact CB-CE2 4.14Å; L382-F386 WeakPolarHBondContact O-CD2 3.45Å; L382-F386 VanDerWaalsContact O-CG 3.3Å; L382-F386 WeakPolarHBondContact O-CG 3.31Å; L382-F386 PolarHBondContact O-N 3.27Å; C383-F386 PolarHBondContact O-N 2.86Å; C383-F386 VanDerWaalsContact O-N 3.14Å; D384-F386 PolarHBondContact O-N 2.95Å; F386-C389 CarbonylContact O-C 3.56Å |
| 387 | L | 90.2 | Very high | 88.6 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.8 | -41 | 172.4 | -67.9 | 171.8 | 0 | 0 | 0 | 111.9 | N228 S230 L232 C383 D384 I385 C389 | N228-L387 HydrophobicContact CB-CD1 4.35Å; S230-L387 VanDerWaalsContact CB-CD2 3.41Å; L232-L387 HydrophobicContact CD1-CD1 4.33Å; L232-L387 HydrophobicContact CD1-CD2 4.29Å; L232-L387 HydrophobicContact CD1-CG 4.07Å; L232-L387 HydrophobicContact CD2-CD2 3.66Å; L232-L387 HydrophobicContact CD2-CG 4.05Å; L232-L387 HydrophobicContact CG-CD2 3.98Å; L232-L387 HydrophobicContact CG-CG 4.3Å; C383-L387 WeakPolarHBondContact O-CG 3.39Å; C383-L387 PolarHBondContact O-N 3.35Å; D384-L387 PolarHBondContact O-N 2.86Å; I385-L387 VanDerWaalsContact C-N 3.33Å; L387-C389 VanDerWaalsContact C-N 3.26Å; L387-C389 PolarHBondContact O-N 2.78Å |
| 388 | E | 89.5 | Confident | 88.4 | Confident | 126 Ų | 126 | 59.9 Ų | 59.9 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.2 | -35.4 | 174.7 | -171.1 | -177.3 | -174 | 0 | 0 | 111.4 | K339 D384 I385 | K339-E388 IonicContact NZ-OE1 3.92Å; K339-E388 IonicContact NZ-OE2 3.87Å; K339-E388 PolarHBondContact NZ-OE2 2.76Å; D384-E388 PolarHBondContact O-N 2.72Å; I385-E388 PolarHBondContact O-N 2.91Å |
| 389 | C | 84.5 | Confident | 87.8 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -126.3 | 85.5 | -175 | -72.6 | 0 | 0 | 0 | 0 | 113 | Q328 S331 I385 F386 L387 | Q328-C389 PolarHBondContact NE2-O 3.2Å; S331-C389 WeakPolarHBondContact OG-CB 3.3Å; S331-C389 PolarHBondContact OG-SG 3.5Å; I385-C389 PolarHBondContact O-N 3.38Å; F386-C389 CarbonylContact O-C 3.56Å; L387-C389 VanDerWaalsContact C-N 3.26Å; L387-C389 PolarHBondContact O-N 2.78Å |
| 390 | P | 80.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | trans | -60.5 | 152.4 | 173.4 | 25.4 | -34.6 | 0 | 0 | 0 | 112 | K392 | P390-K392 PolarHBondContact O-N 3.15Š| ||
| 391 | N | 79 | Confident | 86.2 | Confident | 90 Ų | 90 | 72.8 Ų | 72.8 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | trans | -66.3 | 118.7 | -178 | 55.8 | -32.5 | 0 | 0 | 0 | 111.8 | Q328 V395 | Q328-N391 HydrophobicContact CG-CB 4.08Å; N391-V395 HydrophobicContact CB-CG2 4.47Å | ||
| 392 | K | 77.2 | Confident | 85 | Confident | 181 Ų | 181 | 73.1 Ų | 73.1 | 79% | 0.787 | 38% | 0.384 | S | S | * | . | trans | -96.1 | 104.8 | 177.6 | -58.6 | -174.2 | -176.1 | -175.7 | 0 | 110 | P390 | P390-K392 PolarHBondContact O-N 3.15Š| ||
| 393 | G | 75.9 | Confident | 83.5 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 109.1 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 394 | P | 82.7 | Confident | 81.8 | Confident | 123 Ų | 123 | 84.6 Ų | 84.6 | 80% | 0.799 | 45% | 0.448 | S | S | * | . | trans | -67.3 | 135 | -177.2 | 28.2 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 395 | V | 87.4 | Confident | 79.8 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | trans | -109.1 | 112.1 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | P325 E363 N391 L397 | P325-V395 HydrophobicContact CB-CG1 4.16Å; P325-V395 HydrophobicContact CB-CG2 4Å; P325-V395 HydrophobicContact CG-CG1 3.81Å; P325-V395 HydrophobicContact CG-CG2 3.98Å; E363-V395 HydrophobicContact CG-CG1 4.38Å; N391-V395 HydrophobicContact CB-CG2 4.47Å; V395-L397 HydrophobicContact CG1-CD2 3.98Å | ||
| 396 | I | 89.6 | Confident | 77.4 | Confident | 102 Ų | 102 | 90.5 Ų | 90.5 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | trans | -85.8 | 112.3 | 168.1 | -54.9 | 177.4 | 0 | 0 | 0 | 107.6 | S361 T362 | S361-I396 PolarHBondContact OG-O 3.24Å; T362-I396 HydrophobicContact CG2-CB 4.02Å; T362-I396 HydrophobicContact CG2-CD1 4.22Å; T362-I396 HydrophobicContact CG2-CG1 4.07Å; T362-I396 PolarHBondContact N-O 3.23Å; T362-I396 PolarHBondContact OG1-N 3.22Å; T362-I396 PolarHBondContact OG1-O 3.36Å | ||
| 397 | L | 89.7 | Confident | 75 | Confident | 87 Ų | 87 | 94.9 Ų | 94.9 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | trans | -73.5 | 133.1 | -179.1 | -60 | 178.1 | 0 | 0 | 0 | 111.3 | E363 V395 R399 | E363-L397 WeakPolarHBondContact OE1-CD2 3.49Å; V395-L397 HydrophobicContact CG1-CD2 3.98Å; L397-R399 PolarHBondContact O-N 3.49Å | ||
| 398 | Y | 89.7 | Confident | 72.5 | Confident | 25 Ų | 25 | 95.5 Ų | 95.5 | 10% | 0.098 | 54% | 0.54 | C | S | . | . | trans | -60.3 | 132.2 | 171.3 | -175.1 | -117.7 | 0 | 0 | 0 | 110.5 | R235 L237 I276 L358 P359 S361 E363 P400 | R235-Y398 PolarHBondContact NH2-O 3.46Å; L237-Y398 HydrophobicContact CD1-CD1 4.29Å; L237-Y398 HydrophobicContact CD1-CE1 4.06Å; I276-Y398 HydrophobicContact CD1-CD1 3.95Å; I276-Y398 WeakPolarHBondContact CD1-O 3.46Å; L358-Y398 HydrophobicContact CB-CD2 3.73Å; L358-Y398 HydrophobicContact CB-CE2 4.08Å; L358-Y398 HydrophobicContact CB-CG 4.19Å; L358-Y398 HydrophobicContact CD1-CD1 3.67Å; L358-Y398 HydrophobicContact CD1-CD2 3.97Å; L358-Y398 HydrophobicContact CD1-CE1 4.13Å; L358-Y398 HydrophobicContact CD1-CE2 4.39Å; L358-Y398 HydrophobicContact CD1-CG 3.6Å; L358-Y398 HydrophobicContact CG-CD2 4.48Å; P359-Y398 HydrophobicContact CG-CE2 4.37Å; S361-Y398 WeakPolarHBondContact OG-CA 3.37Å; S361-Y398 PolarHBondContact OG-N 2.71Å; S361-Y398 VanDerWaalsContact OG-N 3.13Å; E363-Y398 VanDerWaalsContact OE2-CB 3.31Å; E363-Y398 WeakPolarHBondContact OE2-CB 3.47Å; E363-Y398 PolarHBondContact OE2-N 3.28Å; Y398-P400 HydrophobicContact CE1-CB 3.93Å | ||
| 399 | R | 84.2 | Confident | 70.1 | Confident | 204 Ų | 204 | 97 Ų | 97 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | trans | -122.7 | 113.1 | 171 | -66.3 | -174.4 | 179.2 | -170.5 | -0.6 | 107.4 | L397 K401 | L397-R399 PolarHBondContact O-N 3.49Å; R399-K401 PolarHBondContact O-N 3.05Å; R399-K401 VanDerWaalsContact O-N 3.16Å | ||
| 400 | P | 79.6 | Confident | 68 | Low | 22 Ų | 22 | 101.9 Ų | 101.9 | 14% | 0.143 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -68.3 | 116.8 | -179.2 | 28.3 | -32.6 | 0 | 0 | 0 | 108.2 | S272 E274 Y398 | S272-P400 PolarHBondContact OG-O 2.87Å; E274-P400 HydrophobicContact CB-CB 4.45Å; E274-P400 WeakPolarHBondContact O-CG 3.47Å; Y398-P400 HydrophobicContact CE1-CB 3.93Å |
| 401 | K | 74.1 | Confident | 65.6 | Low | 146 Ų | 146 | 102.5 Ų | 102.5 | 64% | 0.635 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.9 | 179.7 | -65.7 | -179.2 | -177.9 | 178.5 | 0 | 108.9 | S272 R399 V403 | S272-K401 PolarHBondContact OG-O 2.75Å; R399-K401 PolarHBondContact O-N 3.05Å; R399-K401 VanDerWaalsContact O-N 3.16Å; K401-V403 PolarHBondContact O-N 2.81Å |
| 402 | P | 69.9 | Low | 63.7 | Low | 62 Ų | 62 | 103.2 Ų | 103.2 | 40% | 0.403 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -60 | 135 | 171.7 | 27.3 | -33.8 | 0 | 0 | 0 | 108 | S271 S272 I404 | S271-P402 WeakPolarHBondContact OG-CB 3.31Å; S272-P402 WeakPolarHBondContact OG-CA 3.28Å; P402-I404 HydrophobicContact CG-CG1 4.47Å; P402-I404 PolarHBondContact O-N 3.06Å |
| 403 | V | 62.1 | Low | 61.9 | Low | 110 Ų | 110 | 99.1 Ų | 99.1 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | trans | -73 | 90.3 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | P273 K401 G405 | P273-V403 HydrophobicContact CG-CG2 3.82Å; K401-V403 PolarHBondContact O-N 2.81Å; V403-G405 PolarHBondContact O-N 3.33Å | ||
| 404 | I | 57.5 | Low | 60.2 | Low | 134 Ų | 134 | 101.5 Ų | 101.5 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | trans | -66.8 | 90.8 | 166.7 | -57.5 | 173.1 | 0 | 0 | 0 | 105.4 | P402 N406 | P402-I404 HydrophobicContact CG-CG1 4.47Å; P402-I404 PolarHBondContact O-N 3.06Å; I404-N406 PolarHBondContact O-N 3.03Å | ||
| 405 | G | 49.6 | Very low | 58.1 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 58% | 0.577 | 59% | 0.592 | S | S | * | * | trans | -55.2 | 132.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | V403 P407 | V403-G405 PolarHBondContact O-N 3.33Å; G405-P407 WeakPolarHBondContact O-CD 3.4Å; G405-P407 VanDerWaalsContact O-N 3.15Å | ||
| 406 | N | 42.5 | Very low | 55.7 | Low | 150 Ų | 150 | 108.3 Ų | 108.3 | 80% | 0.802 | 62% | 0.617 | S | S | * | * | trans | -46.4 | 123.9 | -175.4 | -79.2 | -2.1 | 0 | 0 | 0 | 110.6 | I404 G408 | I404-N406 PolarHBondContact O-N 3.03Å; N406-G408 PolarHBondContact O-N 3.04Å | ||
| 407 | P | 39.7 | Very low | 53.3 | Low | 108 Ų | 108 | 107.8 Ų | 107.8 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 72.2 | 169.6 | 31.2 | -33.7 | 0 | 0 | 0 | 108.7 | G405 | G405-P407 WeakPolarHBondContact O-CD 3.4Å; G405-P407 VanDerWaalsContact O-N 3.15Å |
| 408 | G | 38.7 | Very low | 50.8 | Low | 60 Ų | 60 | 109.3 Ų | 109.3 | 62% | 0.619 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | -2.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N406 | N406-G408 PolarHBondContact O-N 3.04Š|
| 409 | L | 37.9 | Very low | 48.4 | Very low | 156 Ų | 156 | 111.4 Ų | 111.4 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -146.1 | 52.8 | 169.2 | -129.2 | 112.2 | 0 | 0 | 0 | 111.5 | C411 | L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 2.84Å; L409-C411 VanDerWaalsContact O-N 3.13Å | ||
| 410 | I | 40 | Very low | 46.1 | Very low | 142 Ų | 142 | 109.2 Ų | 109.2 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | trans | -79.3 | 88.6 | 164.7 | -52.8 | 175.4 | 0 | 0 | 0 | 106.9 | ||||
| 411 | C | 31.4 | Very low | 44 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -58.7 | 125.8 | 158.5 | -60.5 | 0 | 0 | 0 | 0 | 107 | L409 A413 | L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 2.84Å; L409-C411 VanDerWaalsContact O-N 3.13Å; C411-A413 PolarHBondContact O-N 2.86Å | ||
| 412 | P | 38.2 | Very low | 42.1 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -64.5 | 115.7 | 173.3 | 26.8 | -31.9 | 0 | 0 | 0 | 107.6 | T414 | P412-T414 PolarHBondContact O-N 3.44Š| ||
| 413 | A | 40.2 | Very low | 40.4 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | trans | -62.9 | 91.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | C411 T415 | C411-A413 PolarHBondContact O-N 2.86Å; A413-T415 PolarHBondContact O-N 2.81Å | ||
| 414 | T | 39.6 | Very low | 39.1 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 61% | 0.613 | 72% | 0.72 | S | S | * | * | trans | -67.2 | 105.4 | 178.5 | 36.6 | 0 | 0 | 0 | 0 | 107.8 | P412 F416 | P412-T414 PolarHBondContact O-N 3.44Å; T414-F416 HydrophobicContact CG2-CE2 4.37Å; T414-F416 PolarHBondContact O-N 3.13Å | ||
| 415 | T | 39.2 | Very low | 38 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -69.3 | 81.5 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | A413 S417 | A413-T415 PolarHBondContact O-N 2.81Å; T415-S417 VanDerWaalsContact C-N 3.32Å; T415-S417 PolarHBondContact O-N 3.39Å | ||
| 416 | F | 35.9 | Very low | 37.5 | Very low | 188 Ų | 188 | 121.7 Ų | 121.7 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -86.1 | 80.7 | 167.9 | -86.3 | -72.9 | 0 | 0 | 0 | 109.7 | T414 | T414-F416 HydrophobicContact CG2-CE2 4.37Å; T414-F416 PolarHBondContact O-N 3.13Å | ||
| 417 | S | 39.6 | Very low | 37.2 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | -87.2 | 140.2 | 156.7 | -64 | 0 | 0 | 0 | 0 | 109.3 | T415 | T415-S417 VanDerWaalsContact C-N 3.32Å; T415-S417 PolarHBondContact O-N 3.39Å | ||
| 418 | S | 37.9 | Very low | 36.9 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | 68.2 | 97.2 | 157.4 | -52.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 419 | G | 38 | Very low | 36.7 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | 60.6 | 112.2 | 107.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 420 | L | 36.8 | Very low | 36.7 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 115.3 | 135.7 | -95.1 | 82.4 | 0 | 0 | 0 | 120.9 | ||||
| 421 | L | 35.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | trans | 99.8 | 140.3 | 137.4 | -60.1 | 167.2 | 0 | 0 | 0 | 121 | ||||
| 422 | H | 34.9 | Very low | 36.3 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 79.3 | 76.6 | 158.7 | -55.1 | 125.1 | 0 | 0 | 0 | 121.4 | ||||
| 423 | S | 34.1 | Very low | 36 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | 47.5 | 137.6 | 110.1 | 65.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 424 | N | 33.8 | Very low | 35.5 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 77.7 | 134.5 | 153.8 | -58 | -30 | 0 | 0 | 0 | 116.4 | ||||
| 425 | L | 35.4 | Very low | 35 | Very low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -170.7 | 141.8 | 22.5 | -159.6 | 63.8 | 0 | 0 | 0 | 111.1 | ||||
| 426 | S | 38.4 | Very low | 34.8 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 53.5 | 137.8 | 145.8 | 63.8 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 427 | G | 36.8 | Very low | 34.7 | Very low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 139.1 | 49.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 428 | L | 34 | Very low | 34.4 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | 68.1 | 129.2 | 117.3 | -71.3 | 176.8 | 0 | 0 | 0 | 120 | |||||
| 429 | P | 34.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -111.6 | 152.7 | 178.6 | 40.5 | -32.2 | 0 | 0 | 0 | 115.3 | ||||
| 430 | L | 36.3 | Very low | 33.9 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | trans | -157.7 | 161.3 | 165.5 | -71.3 | 178.2 | 0 | 0 | 0 | 108.4 | ||||
| 431 | S | 34.4 | Very low | 33.6 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | cis | 167.8 | 114.8 | -43.9 | 55.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 432 | V | 30.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 68.9 | 156.2 | 147.5 | -163.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 433 | C | 31.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 81.4 | 141.7 | 172.1 | -59.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 434 | E | 28.7 | Very low | 33.5 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | cis | 172 | 156.3 | -36.1 | -119.7 | -175.9 | 117.2 | 0 | 0 | 105.8 | ||||
| 435 | N | 30.6 | Very low | 33.5 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | 73.5 | 95.2 | 155 | -62.6 | -23.5 | 0 | 0 | 0 | 121.5 | ||||
| 436 | S | 33.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | 104 | 151.8 | 98.1 | 76.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 437 | H | 35.1 | Very low | 32.7 | Very low | 156 Ų | 156 | 133 Ų | 133 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 74.8 | 84.4 | 170.8 | -74.5 | -75.9 | 0 | 0 | 0 | 122.1 | ||||
| 438 | E | 32.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | 67 | 133 | 100.1 | -152.2 | -178.6 | 178.9 | 0 | 0 | 122.4 | |||||
| 439 | S | 33.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 79.9 | 142.3 | 155.7 | 78.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 440 | G | 31.7 | Very low | 32.1 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 129.4 | 83.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 441 | Y | 30.6 | Very low | 31.8 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -52.8 | 140 | 164.3 | -60.6 | -98.2 | 0 | 0 | 0 | 112.1 | ||||
| 442 | T | 34 | Very low | 31.8 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | -178.9 | 159.6 | 129.1 | 35.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 443 | T | 33.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -71.5 | 141.1 | -177.1 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | I445 | T443-I445 PolarHBondContact O-N 3.34Š| ||
| 444 | P | 35.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 134 Ų | 134 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -85.5 | 103.5 | 162.6 | 32.4 | -28.9 | 0 | 0 | 0 | 110.7 | ||||
| 445 | I | 32.7 | Very low | 31.8 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 149.7 | 154.5 | -74.3 | 175 | 0 | 0 | 0 | 107.9 | T443 | T443-I445 PolarHBondContact O-N 3.34Š| ||
| 446 | L | 27.4 | Very low | 32 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | -54.9 | 153.7 | -179.6 | -63 | 90.2 | 0 | 0 | 0 | 112.8 | ||||
| 447 | T | 30.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 162.2 | 152.6 | 103.3 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 448 | S | 31.4 | Very low | 32.1 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 111.7 | 165.1 | 38.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 449 | A | 30.5 | Very low | 32.1 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | 71.8 | 126.1 | 83.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 450 | S | 31.4 | Very low | 32.1 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | -169.8 | 146.4 | 73.1 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 451 | L | 30.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | 40.8 | 120 | 136.9 | -49.8 | 168 | 0 | 0 | 0 | 119.6 | ||||
| 452 | L | 33.1 | Very low | 32.8 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | -163.9 | 148.7 | 96.9 | -123.1 | 83 | 0 | 0 | 0 | 111.9 | |||||
| 453 | S | 27.3 | Very low | 32.9 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -91.8 | 156.4 | -176.7 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 454 | N | 34.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -160.2 | 138.7 | 131.6 | -99.8 | -12.7 | 0 | 0 | 0 | 111.9 | ||||
| 455 | E | 30.4 | Very low | 32.7 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -76.6 | 159.6 | 177 | -57.5 | 155.5 | 97.4 | 0 | 0 | 111.7 | ||||
| 456 | V | 35 | Very low | 32.6 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | -160.9 | 122 | 114.2 | -144.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 457 | N | 35 | Very low | 32.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | 30.6 | 117.9 | 144.6 | -58.9 | -19.6 | 0 | 0 | 0 | 121.4 | ||||
| 458 | S | 34.2 | Very low | 33.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 114.5 | 157.1 | 84.2 | 67.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 459 | V | 33.9 | Very low | 33.4 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | cis | -143.6 | 153.7 | 18 | 173.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 460 | S | 32 | Very low | 33.6 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -94.8 | 174.2 | 176.5 | -45 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 461 | P | 40.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | -142.4 | 142.9 | 88.1 | 30.4 | -11.2 | 0 | 0 | 0 | 114 | |||||
| 462 | T | 36.3 | Very low | 34.1 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | 79.4 | 114.3 | 55.6 | -48.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 463 | L | 36.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | 168.1 | 162.4 | 127.7 | -90.3 | 175.4 | 0 | 0 | 0 | 111.1 | |||||
| 464 | N | 32.4 | Very low | 34.9 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | -143.4 | 170.5 | -81.1 | -156.1 | -1.8 | 0 | 0 | 0 | 109.8 | |||||
| 465 | R | 32.5 | Very low | 35 | Very low | 216 Ų | 216 | 137.5 Ų | 137.5 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -104.2 | 156.4 | -172.3 | -167.4 | -155.7 | -82.8 | -131.3 | -6.4 | 112.7 | ||||
| 466 | T | 31.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | 93 | 124.7 | 145.7 | -17.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 467 | Y | 33.2 | Very low | 35.4 | Very low | 229 Ų | 229 | 133.8 Ų | 133.8 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -127.5 | 157.4 | 139.9 | -86.5 | -100.8 | 0 | 0 | 0 | 105.9 | ||||
| 468 | A | 35 | Very low | 35.3 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 55% | 0.554 | 77% | 0.765 | S | S | * | * | cis | -170.7 | 164.2 | -27.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 469 | N | 36.6 | Very low | 35.3 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 71.3 | 146.6 | 170.6 | -53.6 | -32 | 0 | 0 | 0 | 117.1 | ||||
| 470 | Q | 36.6 | Very low | 35.5 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -164.4 | 152.3 | -14.9 | -118 | 179.9 | 31.7 | 0 | 0 | 110.7 | ||||
| 471 | F | 35 | Very low | 35.7 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | 56 | 131.1 | 158.2 | -76.9 | -80.2 | 0 | 0 | 0 | 123.1 | ||||
| 472 | G | 35.3 | Very low | 35.3 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 148.8 | 102.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 473 | I | 38.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -143.8 | 143.7 | -173.7 | -66.1 | 174.9 | 0 | 0 | 0 | 107.4 | ||||
| 474 | P | 40 | Very low | 35.3 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -118 | -175.5 | 38.7 | 12.3 | 14.2 | 0 | 0 | 0 | 114.7 | ||||
| 475 | S | 35.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | 99.4 | 129.4 | 17.4 | -42.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 476 | G | 37.3 | Very low | 35.4 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 157.4 | 101.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 477 | I | 35.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 121 Ų | 121 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | cis | 99.7 | 145.5 | 42.7 | -63.5 | 167 | 0 | 0 | 0 | 111.9 | ||||
| 478 | L | 34.3 | Very low | 35.2 | Very low | 157 Ų | 157 | 115.6 Ų | 115.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 79.7 | 116.9 | -173.4 | -101.2 | 66.5 | 0 | 0 | 0 | 115.7 | ||||
| 479 | S | 34.4 | Very low | 35 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | cis | 87.1 | 129.8 | 12.1 | -157.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 480 | G | 37.1 | Very low | 34.6 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 109.2 | 134.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 481 | G | 36.6 | Very low | 34.3 | Very low | 66 Ų | 66 | 113.4 Ų | 113.4 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | -176.8 | 129.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 482 | T | 32.4 | Very low | 34 | Very low | 152 Ų | 152 | 110.2 Ų | 110.2 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | 24 | 130.7 | 136.3 | 57.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 483 | G | 36 | Very low | 33.9 | Very low | 62 Ų | 62 | 110.1 Ų | 110.1 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | trans | 169.8 | 105.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 484 | V | 35.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 108.8 Ų | 108.8 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | 49.7 | 140.6 | 90.9 | -47.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 485 | S | 33 | Very low | 33.5 | Very low | 114 Ų | 114 | 109.6 Ų | 109.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | cis | -178.6 | 153.1 | -14 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 486 | G | 34.5 | Very low | 33.5 | Very low | 71 Ų | 71 | 111.2 Ų | 111.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 78 | 162 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 487 | S | 33.2 | Very low | 33.6 | Very low | 105 Ų | 105 | 113.8 Ų | 113.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | 163.4 | 133.1 | -22.8 | 44.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 488 | C | 26 | Very low | 33.6 | Very low | 114 Ų | 114 | 110.7 Ų | 110.7 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 63.8 | 137.7 | 152.8 | 78.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 489 | S | 30.8 | Very low | 33.7 | Very low | 99 Ų | 99 | 110.5 Ų | 110.5 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 98.6 | 110.3 | 132.4 | -65 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 490 | V | 29.3 | Very low | 33.7 | Very low | 143 Ų | 143 | 111.5 Ų | 111.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | 72.7 | 118.5 | 124.5 | -177.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 491 | G | 29.4 | Very low | 33.6 | Very low | 67 Ų | 67 | 112.8 Ų | 112.8 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 83.1 | 164.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 492 | C | 28.7 | Very low | 33.5 | Very low | 131 Ų | 131 | 116.2 Ų | 116.2 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | cis | -174.1 | 147.1 | -17.1 | 43 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 493 | G | 33.7 | Very low | 33.7 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 79.3 | 166.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 494 | V | 38.6 | Very low | 33.8 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | cis | -157 | 142.1 | -8.6 | -106.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 495 | N | 31.8 | Very low | 33.5 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 41.2 | 126.8 | 140.4 | -53.4 | -13.3 | 0 | 0 | 0 | 121.2 | ||||
| 496 | N | 35.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 115.5 Ų | 115.5 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | -161 | 124.4 | 98 | -103.5 | -11.1 | 0 | 0 | 0 | 114.2 | |||||
| 497 | T | 38.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 45.9 | 132.6 | 137.7 | 56 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 498 | S | 36.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | cis | -171.1 | 143.8 | 17.7 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 499 | I | 35.2 | Very low | 33.3 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | 63.5 | 131.6 | 128.7 | -64.4 | 172 | 0 | 0 | 0 | 118.5 | |||||
| 500 | I | 35.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | -155.6 | 153 | -5.5 | -108.5 | 173.2 | 0 | 0 | 0 | 108.5 | ||||
| 501 | P | 35.9 | Very low | 33.3 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -105 | 165.9 | 176.9 | 40 | -34.4 | 0 | 0 | 0 | 114.6 | ||||
| 502 | N | 34.3 | Very low | 33.6 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 167.4 | 121.2 | 143.4 | -93.4 | -39.5 | 0 | 0 | 0 | 112.4 | ||||
| 503 | L | 35.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | 90.4 | 162.8 | 97.1 | -117.1 | 62 | 0 | 0 | 0 | 112.8 | |||||
| 504 | P | 37.8 | Very low | 33.5 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | -138.3 | -163.9 | -114.7 | 36.2 | -12.6 | 0 | 0 | 0 | 115.7 | |||||
| 505 | T | 30.4 | Very low | 33 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | trans | 95.5 | 147.8 | 151.1 | -23.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 506 | A | 34.4 | Very low | 33 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | trans | 82.1 | 95.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 507 | N | 28.8 | Very low | 32.8 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | 52.8 | 140.5 | 118.2 | -53.8 | -11 | 0 | 0 | 0 | 121.7 | |||||
| 508 | T | 30 | Very low | 32.6 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 115.2 | 103.6 | 136.9 | -42.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 509 | M | 28.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | 67.7 | 129.5 | 143.5 | -64.4 | -68.4 | 116.3 | 0 | 0 | 122.4 | ||||
| 510 | Q | 30.6 | Very low | 32.4 | Very low | 162 Ų | 162 | 130 Ų | 130 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | 67.5 | 107.2 | 132.9 | -66.4 | 163.4 | -15.5 | 0 | 0 | 119.8 | ||||
| 511 | S | 29.6 | Very low | 32.2 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 12.8 | 155.6 | 127 | 61.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 512 | P | 36.2 | Very low | 32 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | cis | -137.7 | -179 | -4 | 33.5 | -11.4 | 0 | 0 | 0 | 115.6 | ||||
| 513 | L | 27.6 | Very low | 31.8 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 50.7 | 116.9 | 149.2 | -73.8 | 160.8 | 0 | 0 | 0 | 120.1 | ||||
| 514 | T | 31.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | -158.3 | 144.4 | 121.9 | -77.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 515 | V | 28.3 | Very low | 31.2 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -86.5 | 126.1 | -176.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 516 | I | 32.7 | Very low | 31.1 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -138.6 | 125.1 | 149.1 | -60.4 | -175.5 | 0 | 0 | 0 | 107.7 | ||||
| 517 | G | 30.8 | Very low | 31 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -94.7 | 158.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 518 | S | 34.2 | Very low | 31.2 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -149.1 | 140.5 | 151.7 | 52.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 519 | G | 30.5 | Very low | 31.4 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -93.3 | 173.4 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 520 | R | 37 | Very low | 31.7 | Very low | 239 Ų | 239 | 135.8 Ų | 135.8 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -139.7 | 151.5 | 155.6 | -94.1 | 176.5 | -172.3 | -157.2 | -0.3 | 109.5 | ||||
| 521 | P | 31.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -80.2 | 145.9 | -157.6 | 31.1 | -36.1 | 0 | 0 | 0 | 113.4 | ||||
| 522 | V | 30.9 | Very low | 31.8 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -93.4 | 109.3 | 172.7 | -167.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 523 | N | 31.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -150.7 | 146.5 | 166.1 | -91.7 | -35.3 | 0 | 0 | 0 | 107.8 | ||||
| 524 | Q | 31.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 72 | 61.9 | -174.4 | -51.4 | -177.4 | 2.7 | 0 | 0 | 116.2 | ||
| 525 | M | 28.4 | Very low | 31.9 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -150.6 | 64.4 | 154.8 | -155.2 | 157.7 | -169.8 | 0 | 0 | 112.6 | ||||
| 526 | S | 29.5 | Very low | 32 | Very low | 89 Ų | 89 | 138 Ų | 138 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -120.8 | -16.9 | 177.1 | 43.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 527 | D | 31.7 | Very low | 32.1 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -110.3 | 20.8 | -168.1 | -58 | -63.3 | 0 | 0 | 0 | 114.8 | ||
| 528 | L | 33.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -118.8 | 15.8 | -179.1 | -82.2 | 166.5 | 0 | 0 | 0 | 114.3 | ||
| 529 | I | 33.2 | Very low | 31.9 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.1 | -6.5 | -175.3 | -64.8 | 177.2 | 0 | 0 | 0 | 113.1 | ||
| 530 | S | 34.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -89.7 | -17.3 | 172.1 | -85.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 531 | D | 30.7 | Very low | 32 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 4.4 | -169.4 | -100.6 | -11.1 | 0 | 0 | 0 | 115.8 | ||
| 532 | Q | 33 | Very low | 32 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -0 | 179.7 | -88.3 | -166.7 | -0.2 | 0 | 0 | 116.1 | ||
| 533 | V | 33.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -81.4 | -19.4 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | L535 | V533-L535 PolarHBondContact O-N 3.42Š|
| 534 | H | 32.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -90.4 | 7.1 | -172.3 | -104.2 | -65.2 | 0 | 0 | 0 | 116.6 | E356 | E356-H534 IonicContact OE2-CE1 3.63Å; E356-H534 IonicContact OE2-ND1 3.88Å |
| 535 | L | 32 | Very low | 32.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -96.5 | 8.3 | -174.5 | -105.3 | 168.8 | 0 | 0 | 0 | 115.8 | V533 | V533-L535 PolarHBondContact O-N 3.42Š|
| 536 | F | 28.9 | Very low | 32.5 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 61% | 0.614 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -113.7 | 10.5 | -172 | -102.7 | -86.1 | 0 | 0 | 0 | 117.1 | W801 | F536-W801 HydrophobicContact CD1-CZ3 4.31Å; F536-W801 HydrophobicContact CD2-CH2 4.41Å; F536-W801 HydrophobicContact CD2-CZ3 4.07Å; F536-W801 AromaticContact CE1-CE3 3.97Å; F536-W801 HydrophobicContact CE1-CE3 3.97Å; F536-W801 AromaticContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE2-CE3 4.36Å; F536-W801 AromaticContact CE2-CH2 3.58Å; F536-W801 HydrophobicContact CE2-CH2 3.58Å; F536-W801 AromaticContact CE2-CZ3 3.34Å; F536-W801 HydrophobicContact CE2-CZ3 3.34Å; F536-W801 AromaticContact CZ-CE3 3.69Å; F536-W801 HydrophobicContact CZ-CE3 3.69Å; F536-W801 AromaticContact CZ-CH2 3.72Å; F536-W801 HydrophobicContact CZ-CH2 3.72Å; F536-W801 AromaticContact CZ-CZ3 3.08Å; F536-W801 HydrophobicContact CZ-CZ3 3.08Å |
| 537 | A | 34.9 | Very low | 32.6 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 55% | 0.554 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -93.3 | -21.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L539 | A537-L539 PolarHBondContact O-N 2.73Š|
| 538 | T | 30.6 | Very low | 32.7 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 76 | -175.3 | 41.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 539 | L | 30.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 52% | 0.518 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -152.9 | 14.2 | 155.2 | -110.1 | 172.4 | 0 | 0 | 0 | 114.8 | A537 Q541 | A537-L539 PolarHBondContact O-N 2.73Å; L539-Q541 VanDerWaalsContact C-N 3.34Å; L539-Q541 PolarHBondContact O-N 3.45Å |
| 540 | N | 35.5 | Very low | 32.6 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 90% | 0.898 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 40.2 | 173.6 | -86.9 | -9.7 | 0 | 0 | 0 | 113 | ||
| 541 | Q | 33.8 | Very low | 32.3 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.4 | 25.5 | 176.3 | -130 | 159.2 | 13.1 | 0 | 0 | 118.3 | L539 | L539-Q541 VanDerWaalsContact C-N 3.34Å; L539-Q541 PolarHBondContact O-N 3.45Å |
| 542 | L | 31.5 | Very low | 32.1 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 81% | 0.806 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -142.5 | 111.9 | 151.5 | -68.9 | 92.8 | 0 | 0 | 0 | 103.8 | ||
| 543 | D | 29.5 | Very low | 31.8 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 43% | 0.433 | 69% | 0.691 | S | S | . | * | S | Bend | -166.2 | 39.9 | 57.5 | -169.9 | 19.2 | 0 | 0 | 0 | 111.7 | A545 | D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 2.98Å | |
| 544 | L | 34.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -15.9 | -168.6 | -163.9 | 58.8 | 0 | 0 | 0 | 114.6 | ||
| 545 | A | 35.2 | Very low | 31.4 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -16.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | D543 | D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 2.98Å |
| 546 | N | 34.4 | Very low | 31.3 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -12.4 | 178.5 | -74.4 | -33.7 | 0 | 0 | 0 | 113.9 | ||
| 547 | F | 30 | Very low | 31.4 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 39% | 0.386 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -87.6 | -13.9 | 178.4 | -97.4 | -85.3 | 0 | 0 | 0 | 114.4 | S549 F788 | F547-S549 VanDerWaalsContact C-N 3.29Å; F547-S549 PolarHBondContact O-N 3.27Å; F547-F788 AromaticContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CE2 4.06Å; F547-F788 HydrophobicContact CZ-CD2 4.38Å |
| 548 | Q | 34.3 | Very low | 31.3 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -0.8 | -171.1 | -131.3 | 167.3 | -4.7 | 0 | 0 | 114.8 | ||
| 549 | S | 33.5 | Very low | 31.3 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 5.6 | -179.3 | 70.4 | 0 | 0 | 0 | 0 | 115.6 | F547 | F547-S549 VanDerWaalsContact C-N 3.29Å; F547-S549 PolarHBondContact O-N 3.27Å |
| 550 | Y | 30.8 | Very low | 31.4 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -126.1 | 8.8 | -170.3 | -81.4 | -75.9 | 0 | 0 | 0 | 116.4 | ||
| 551 | F | 28.9 | Very low | 31.3 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | -118.6 | 46.7 | 178.6 | -98.6 | -79.5 | 0 | 0 | 0 | 113.6 | F788 | F551-F788 HydrophobicContact CE2-CE2 4.13Å; F551-F788 HydrophobicContact CE2-CZ 4.2Å; F551-F788 HydrophobicContact CZ-CE2 4.46Å; F551-F788 HydrophobicContact CZ-CZ 4.08Å | ||
| 552 | S | 27.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -137.7 | 59.1 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 553 | S | 27.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | -164.3 | 154.4 | 163.1 | -81.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 554 | I | 28.1 | Very low | 31.3 | Very low | 158 Ų | 158 | 133 Ų | 133 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | 75.8 | 71.2 | 174.6 | -42.2 | 168.5 | 0 | 0 | 0 | 115.2 | ||||
| 555 | L | 28.9 | Very low | 31 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | -172.1 | 123.4 | 110.1 | -130 | 66 | 0 | 0 | 0 | 111.8 | |||||
| 556 | A | 29.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | trans | -102.4 | 162.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 557 | P | 30.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | -141.3 | 173 | 114.5 | 30.2 | -12.1 | 0 | 0 | 0 | 115.3 | |||||
| 558 | L | 32.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 161.1 | -160.1 | -84.5 | 71.4 | 0 | 0 | 0 | 116.1 | ||||
| 559 | P | 31.3 | Very low | 30 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -90.2 | 168.5 | 173.4 | 38.5 | -36.3 | 0 | 0 | 0 | 113.2 | ||||
| 560 | N | 33.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -153 | 116.5 | 149.3 | -106 | -16.6 | 0 | 0 | 0 | 112.7 | ||||
| 561 | T | 32.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 37.5 | 113.8 | 144 | 61 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 562 | N | 31.6 | Very low | 29.6 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | 57.3 | 152.6 | 74.3 | -83 | 7.6 | 0 | 0 | 0 | 116 | |||||
| 563 | P | 36.8 | Very low | 29.7 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -140.8 | -177.1 | -0.9 | 35.1 | -13.3 | 0 | 0 | 0 | 117.1 | ||||
| 564 | L | 27.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 77.6 | 115.4 | 140.5 | -123.4 | 68.7 | 0 | 0 | 0 | 120.9 | ||||
| 565 | A | 26.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -137.6 | 107.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 566 | T | 30.9 | Very low | 30.3 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -84.8 | 129.9 | 142.4 | 46.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 567 | G | 25.3 | Very low | 30.4 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | cis | 102.2 | 127 | 44.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 568 | M | 28.5 | Very low | 30.5 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 99.4 | 131 | 178.4 | -57.5 | -73.9 | 85.5 | 0 | 0 | 118.7 | ||||
| 569 | H | 29.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 51.6 | 113.5 | 147.6 | -72.6 | -62.9 | 0 | 0 | 0 | 119.5 | ||||
| 570 | S | 25.7 | Very low | 30.1 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | 99.9 | 143.8 | 65 | -78.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 571 | I | 27.9 | Very low | 29.8 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 89% | 0.892 | 75% | 0.751 | S | S | * | * | trans | 79.6 | 125 | 163.8 | -58.2 | 145.3 | 0 | 0 | 0 | 117 | ||||
| 572 | G | 30.1 | Very low | 29.6 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | 109.3 | 71.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 573 | Q | 30.4 | Very low | 29.7 | Very low | 198 Ų | 198 | 130 Ų | 130 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | 48 | 160.2 | 129.2 | -82.6 | -166.3 | -40 | 0 | 0 | 123.2 | |||||
| 574 | P | 34.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -113 | 164 | -152.2 | 41.8 | -34 | 0 | 0 | 0 | 115.3 | ||||
| 575 | L | 31.5 | Very low | 29.5 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | -147.1 | 124.7 | 157.3 | -75.6 | -178.7 | 0 | 0 | 0 | 113.6 | ||||
| 576 | N | 29.1 | Very low | 29.6 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 34.7 | 109.1 | 152.5 | -72.8 | -10.2 | 0 | 0 | 0 | 123.2 | ||||
| 577 | I | 32.5 | Very low | 29.5 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | 44.7 | 137.9 | 88.7 | -61.2 | 172.8 | 0 | 0 | 0 | 116.7 | |||||
| 578 | P | 33.2 | Very low | 29.5 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -130.1 | 161 | 23.2 | 17.2 | 8.6 | 0 | 0 | 0 | 119.2 | ||||
| 579 | E | 27.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | 42.1 | 133.4 | 137.9 | -63 | 179.1 | 102.3 | 0 | 0 | 122 | ||||
| 580 | I | 27.3 | Very low | 29.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 62% | 0.621 | 76% | 0.762 | S | S | * | * | cis | -145.1 | 148.1 | -0.7 | -94.9 | 148.4 | 0 | 0 | 0 | 109.2 | ||||
| 581 | A | 27.2 | Very low | 29.8 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | -67.3 | 140 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 582 | L | 28.4 | Very low | 30 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | 87.9 | 129.3 | 55.5 | -73.5 | 172.4 | 0 | 0 | 0 | 116.3 | |||||
| 583 | T | 34 | Very low | 30.2 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -58.5 | 162.3 | 172.9 | -7.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 584 | P | 32.3 | Very low | 30.3 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -141.6 | 159.8 | 77.7 | 30.4 | -9 | 0 | 0 | 0 | 114.1 | |||||
| 585 | G | 28.2 | Very low | 30.2 | Very low | 60 Ų | 60 | 129.3 Ų | 129.3 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | 92.4 | 101.8 | 66.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 586 | I | 28.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | S | Bend | 56.7 | 118.4 | 91.7 | -66.4 | 179.9 | 0 | 0 | 0 | 114 | |||
| 587 | L | 27.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 53.5 | 106 | 162.7 | -104 | 59.7 | 0 | 0 | 0 | 118.4 | C589 | L587-C589 PolarHBondContact O-N 2.91Š| ||
| 588 | G | 25.6 | Very low | 30.4 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 119.7 | 167 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 589 | C | 27.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 125 Ų | 125 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 136.9 | 172.6 | -82.1 | 0 | 0 | 0 | 0 | 110.2 | L587 | L587-C589 PolarHBondContact O-N 2.91Š| ||
| 590 | Y | 28 | Very low | 30.9 | Very low | 215 Ų | 215 | 124.2 Ų | 124.2 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | 22.9 | 138.9 | 159.4 | -57.4 | -82.2 | 0 | 0 | 0 | 122.2 | ||||
| 591 | P | 33.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | trans | -114.9 | 126.3 | 136 | 33.7 | -25.6 | 0 | 0 | 0 | 112 | ||||
| 592 | T | 33 | Very low | 31.5 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 156.9 | 170.6 | 32.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 593 | P | 33.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 151.4 | -179.2 | 35.2 | -35.1 | 0 | 0 | 0 | 113 | ||
| 594 | T | 32.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 123.1 | 165.3 | -55 | 0 | 0 | 0 | 0 | 109.7 | ||
| 595 | A | 33 | Very low | 32.3 | Very low | 95 Ų | 95 | 120.9 Ų | 120.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 149.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 596 | A | 31.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -153.8 | 139.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 597 | A | 30.6 | Very low | 32.7 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -169.2 | 127.8 | -20.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 598 | L | 36.7 | Very low | 32.6 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -8.7 | 151.2 | 138.7 | -67.7 | 174.5 | 0 | 0 | 0 | 116.1 | ||||
| 599 | P | 38.1 | Very low | 32.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | -154.4 | 147.2 | 81.4 | 39.8 | -19.4 | 0 | 0 | 0 | 120.5 | |||||
| 600 | I | 32.2 | Very low | 33.2 | Very low | 146 Ų | 146 | 135 Ų | 135 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | 71.1 | 106.9 | 128.9 | -67.1 | 171.9 | 0 | 0 | 0 | 117.2 | |||||
| 601 | V | 33.1 | Very low | 33.5 | Very low | 130 Ų | 130 | 130 Ų | 130 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | 86.7 | 121.4 | 67.9 | 163 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 602 | G | 33.5 | Very low | 33.8 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -152.9 | 116.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 603 | S | 40.5 | Very low | 33.9 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -98.4 | -159.4 | -177.3 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 604 | P | 40 | Very low | 33.8 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | -133.4 | -171.1 | -74 | 39.3 | -22.9 | 0 | 0 | 0 | 114.1 | |||||
| 605 | N | 32.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 77.1 | 134.4 | 146.8 | -67.4 | -17.3 | 0 | 0 | 0 | 122.6 | ||||
| 606 | N | 30.6 | Very low | 33.6 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 55.1 | 98.9 | 139.1 | -62.4 | -10.8 | 0 | 0 | 0 | 120.9 | ||||
| 607 | Y | 32.5 | Very low | 33.6 | Very low | 238 Ų | 238 | 135.7 Ų | 135.7 | 93% | 0.933 | 79% | 0.786 | S | S | * | * | trans | -149.2 | 103.6 | 131.2 | -84.1 | -70.8 | 0 | 0 | 0 | 111.8 | ||||
| 608 | M | 26.8 | Very low | 33.7 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -140.3 | 108.7 | 147.5 | -94.8 | -152.1 | 76.4 | 0 | 0 | 108.5 | ||||
| 609 | F | 32 | Very low | 33.3 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -147.2 | 149.3 | 169.6 | -123.2 | -85.1 | 0 | 0 | 0 | 108.8 | ||||
| 610 | S | 34.1 | Very low | 33.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 66.6 | 120.5 | -176.3 | 63.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 611 | S | 34 | Very low | 33 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | cis | 86.3 | 143.7 | 27.9 | -166.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 612 | P | 39.9 | Very low | 33.1 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -143.5 | -171.9 | -16.2 | 31.7 | -8.9 | 0 | 0 | 0 | 116.5 | ||||
| 613 | A | 33.7 | Very low | 33.1 | Very low | 87 Ų | 87 | 142 Ų | 142 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | 101 | 129.6 | 125.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 614 | A | 32.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 61 | 126.2 | 156 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 615 | L | 29.8 | Very low | 32.2 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | -160.9 | 131.5 | 56.2 | -82.4 | 162.5 | 0 | 0 | 0 | 110.4 | |||||
| 616 | L | 30.7 | Very low | 32.2 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -161 | 84 | 150.8 | -111.5 | 176.2 | 0 | 0 | 0 | 109.6 | ||||
| 617 | K | 32.6 | Very low | 32.2 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -156.8 | 132.7 | 157.8 | -120.9 | -176.9 | 179.9 | 176.1 | 0 | 111.8 | ||||
| 618 | I | 32.2 | Very low | 32.1 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 77.6 | 113.3 | 156.2 | -59.2 | 156.5 | 0 | 0 | 0 | 116.1 | ||||
| 619 | S | 29.1 | Very low | 32.2 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -37.9 | 138.4 | 159.3 | -43.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 620 | N | 32.6 | Very low | 32 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | -172.6 | 135.6 | 103.2 | -95.5 | -32.5 | 0 | 0 | 0 | 113.6 | |||||
| 621 | R | 31.7 | Very low | 31.7 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | 56.1 | 124 | 140.4 | -76.4 | -174 | 165.7 | -130.9 | -2.2 | 121.7 | ||||
| 622 | L | 34.1 | Very low | 31.5 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 90.4 | 144.4 | 137 | -96.9 | 68.8 | 0 | 0 | 0 | 118.3 | ||||
| 623 | P | 33.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -118.3 | -154.7 | -168 | 28.5 | -3 | 0 | 0 | 0 | 110.9 | ||||
| 624 | E | 32.1 | Very low | 30.7 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 93.6 | 113.7 | 155.8 | -66 | 179.3 | 170.4 | 0 | 0 | 118.5 | ||||
| 625 | D | 30.1 | Very low | 30.7 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | 86.8 | 148.8 | 130.3 | -65.1 | -4.6 | 0 | 0 | 0 | 122.1 | ||||
| 626 | Q | 32.4 | Very low | 30.8 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 74.1 | 135.1 | 161.5 | -43.2 | -151.4 | 39.8 | 0 | 0 | 114 | ||||
| 627 | F | 30.1 | Very low | 30.9 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | 165.6 | 151.3 | -7.4 | -122.1 | -68.6 | 0 | 0 | 0 | 101.8 | ||||
| 628 | T | 29.5 | Very low | 31 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | 59.3 | 170.7 | 153.9 | 62 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 629 | T | 29.3 | Very low | 31.1 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | cis | -164.5 | 145.4 | -40 | 35.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 630 | S | 27.1 | Very low | 31.4 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 57.8 | 155.6 | 138.2 | 75.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 631 | S | 29.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | 84.4 | 96.4 | 141.9 | -55.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 632 | S | 28.9 | Very low | 31.6 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | 53.3 | 136.9 | 113 | 72.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 633 | N | 28.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 77.7 | 108.7 | 139.1 | -62.7 | -6.6 | 0 | 0 | 0 | 121.2 | ||||
| 634 | S | 29.6 | Very low | 31.5 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | 86.3 | 152.3 | 115.8 | 78.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 635 | L | 31.6 | Very low | 31.5 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | trans | 62.8 | 137.1 | -179.7 | -69.5 | 89 | 0 | 0 | 0 | 115.5 | ||||
| 636 | G | 32.9 | Very low | 31.6 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | cis | 176.9 | 175.9 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 637 | D | 32.9 | Very low | 31.6 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | 66.8 | 139 | 160.6 | -59.1 | -21.8 | 0 | 0 | 0 | 117.2 | ||||
| 638 | I | 34 | Very low | 31.7 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | cis | -160.9 | 139.4 | 15.7 | -123.2 | 160.3 | 0 | 0 | 0 | 108.9 | ||||
| 639 | V | 33.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | 56.5 | 130.5 | 136 | 169.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 640 | V | 35.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | cis | -169.8 | 152.8 | 10.5 | 102.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 641 | N | 33.5 | Very low | 32 | Very low | 127 Ų | 127 | 123 Ų | 123 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | trans | 55.6 | 151.6 | 151.1 | -65.6 | 1.3 | 0 | 0 | 0 | 123.4 | ||||
| 642 | Q | 34.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | cis | -173.8 | 131.8 | -20.6 | 179.5 | 156.6 | 17 | 0 | 0 | 109.5 | ||||
| 643 | S | 31.4 | Very low | 32.4 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | 54.5 | 168.4 | 151.9 | 84.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 644 | D | 34.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | cis | -149.2 | 132.4 | 7 | -99 | -51.8 | 0 | 0 | 0 | 107.5 | ||||
| 645 | M | 32.9 | Very low | 32.8 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | 81.3 | 144.1 | 84.1 | -79.1 | -76.2 | -72.8 | 0 | 0 | 117.5 | |||||
| 646 | C | 32.2 | Very low | 33.1 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | trans | 71.8 | 120.8 | 168.8 | -52.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 647 | I | 31.4 | Very low | 33.1 | Very low | 149 Ų | 149 | 125 Ų | 125 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | cis | 87 | 126.9 | 32 | -56.1 | 177 | 0 | 0 | 0 | 115.7 | ||||
| 648 | N | 31.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | trans | 90.3 | 105.8 | 156 | -93.8 | 1.7 | 0 | 0 | 0 | 122.9 | ||||
| 649 | N | 30.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | 58.1 | 127.9 | 109.6 | -70.6 | 3.4 | 0 | 0 | 0 | 122 | |||||
| 650 | N | 29.3 | Very low | 32.9 | Very low | 145 Ų | 145 | 121.7 Ų | 121.7 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | 65.8 | 138.4 | 144.7 | -59.5 | -8.1 | 0 | 0 | 0 | 115.3 | ||||
| 651 | S | 32.3 | Very low | 32.8 | Very low | 90 Ų | 90 | 123 Ų | 123 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | cis | -169.6 | 174.3 | 25 | -148 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 652 | N | 34.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | trans | 78.7 | 112.2 | 147.8 | -57.7 | -14.3 | 0 | 0 | 0 | 120.1 | ||||
| 653 | N | 31.9 | Very low | 32.4 | Very low | 151 Ų | 151 | 121 Ų | 121 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | 84.5 | 144.7 | 122.8 | -60.7 | -10.6 | 0 | 0 | 0 | 122 | |||||
| 654 | A | 36.3 | Very low | 32.4 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 78% | 0.777 | 71% | 0.711 | S | S | * | * | trans | 74.3 | 83.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 655 | S | 30.3 | Very low | 32.5 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | 0.1 | 156.7 | 108.6 | -164.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 656 | P | 38.7 | Very low | 32.6 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 62% | 0.617 | 72% | 0.715 | S | S | * | * | cis | -128 | -133.4 | -45.2 | 39.4 | -22.5 | 0 | 0 | 0 | 108.6 | ||||
| 657 | N | 33.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | 81.3 | 144.1 | 173.1 | -53 | -42.1 | 0 | 0 | 0 | 114.6 | ||||
| 658 | N | 31.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | cis | -174.1 | 170.7 | -17.3 | -125.2 | -44.2 | 0 | 0 | 0 | 109.2 | ||||
| 659 | L | 34.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 123 Ų | 123 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | trans | 60.4 | 122.6 | 166.9 | -79 | 70.7 | 0 | 0 | 0 | 115.7 | I661 | L659-I661 HydrophobicContact CD2-CD1 4.18Š| ||
| 660 | S | 29.4 | Very low | 33 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | cis | 72.2 | 157 | 49.7 | 89.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 661 | I | 34 | Very low | 33.3 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | 116.2 | 98.1 | 165.5 | -63.9 | 164.8 | 0 | 0 | 0 | 116.5 | L659 | L659-I661 HydrophobicContact CD2-CD1 4.18Š| ||
| 662 | C | 31.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | trans | 75.3 | 117.3 | 134.7 | -64.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 663 | N | 28 | Very low | 33.4 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | 29.6 | 124.6 | 107.2 | -51.6 | -12.1 | 0 | 0 | 0 | 117.8 | |||||
| 664 | N | 32.1 | Very low | 33.6 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | 179.2 | 147.1 | 108 | -91.4 | -22.1 | 0 | 0 | 0 | 114.8 | |||||
| 665 | S | 36.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | 77.1 | 121.7 | 146.4 | -59.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 666 | L | 35.4 | Very low | 33.7 | Very low | 154 Ų | 154 | 125 Ų | 125 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | trans | -38.2 | -179.8 | 143.9 | -71 | 83.8 | 0 | 0 | 0 | 115.4 | ||||
| 667 | P | 36.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | cis | -138.8 | 172.1 | 3.5 | 15.9 | 12.5 | 0 | 0 | 0 | 118.1 | ||||
| 668 | I | 31.2 | Very low | 33.3 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | 31.8 | 121.8 | 129.5 | -47.2 | 159 | 0 | 0 | 0 | 118.6 | |||||
| 669 | D | 31.8 | Very low | 33.8 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | -171.3 | 160 | 101 | -127.1 | -36.8 | 0 | 0 | 0 | 117.4 | |||||
| 670 | S | 34.9 | Very low | 34 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | trans | -64.9 | 161.6 | -176 | -41.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 671 | N | 34.1 | Very low | 34.3 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | 170.9 | 136.1 | 116.3 | -89.9 | -38.1 | 0 | 0 | 0 | 117.1 | |||||
| 672 | N | 36.7 | Very low | 34.5 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | trans | 66.8 | 127.7 | 133.8 | -64.3 | -12.6 | 0 | 0 | 0 | 120.8 | ||||
| 673 | N | 34 | Very low | 34.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | -174.8 | 147.6 | 52.3 | -103.5 | -25.1 | 0 | 0 | 0 | 115 | |||||
| 674 | Y | 35.9 | Very low | 35.1 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 53 | 145 | 143.8 | -54.5 | -42.4 | 0 | 0 | 0 | 121.7 | ||||
| 675 | T | 35.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | cis | -167.3 | 141.7 | 2.6 | 12.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 676 | S | 32 | Very low | 35.2 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | 44.8 | 149.6 | 141 | 73.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 677 | L | 31.2 | Very low | 35.2 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | cis | -167.1 | 152.9 | 19.9 | -159.6 | 68.1 | 0 | 0 | 0 | 112 | ||||
| 678 | S | 33.5 | Very low | 34.9 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | 55 | 140.2 | 148 | 53 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 679 | T | 41.7 | Very low | 35 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | cis | -164.4 | 172 | 12.7 | 7.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 680 | P | 37.3 | Very low | 35 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | -131.3 | -154.6 | -128.6 | 35 | -10.5 | 0 | 0 | 0 | 115.8 | |||||
| 681 | I | 37.1 | Very low | 35 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | 92 | 125.7 | 165.3 | -53 | 155.7 | 0 | 0 | 0 | 115 | ||||
| 682 | D | 37.8 | Very low | 34.8 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | cis | -157 | 164.8 | -18.4 | -106.9 | -17.6 | 0 | 0 | 0 | 111.2 | ||||
| 683 | P | 37.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | -122.3 | 158.8 | -163.7 | 41.2 | -29.5 | 0 | 0 | 0 | 116.4 | ||||
| 684 | I | 35.1 | Very low | 34.4 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -139.4 | 117.7 | 164.7 | -63.8 | -172.6 | 0 | 0 | 0 | 113.3 | ||||
| 685 | K | 38 | Very low | 34.2 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | trans | 59.8 | 112.8 | 157.8 | -64.1 | 166.9 | -173.6 | 176.2 | 0 | 118.2 | ||||
| 686 | S | 31.6 | Very low | 34.1 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 68.8 | 130.5 | 51.6 | 91.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 687 | I | 36.6 | Very low | 34.2 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -153.3 | 126.4 | 42.3 | -84.4 | 144 | 0 | 0 | 0 | 107.5 | ||||
| 688 | R | 30.1 | Very low | 34.1 | Very low | 246 Ų | 246 | 136.5 Ų | 136.5 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | 57.8 | 107 | 79.3 | -86.7 | -165.7 | -177 | -174 | 3 | 116.8 | |||||
| 689 | G | 31.7 | Very low | 34.6 | Very low | 60 Ų | 60 | 139.9 Ų | 139.9 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | 164.7 | 112.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 690 | L | 32.9 | Very low | 34.3 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | 68.2 | 118.5 | 80.2 | -69.4 | 161.2 | 0 | 0 | 0 | 110 | |||||
| 691 | Q | 35.9 | Very low | 33.9 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | -154.8 | 159.7 | 12.8 | -53 | -174.2 | -1.3 | 0 | 0 | 112.8 | ||||
| 692 | N | 28.6 | Very low | 33.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -28.5 | 121.9 | 166.5 | -49.6 | -29.2 | 0 | 0 | 0 | 118 | ||||
| 693 | T | 33.3 | Very low | 33.7 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -141.8 | 147.9 | 130.7 | 45.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 694 | A | 29.9 | Very low | 33.3 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -108.3 | 164.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 695 | S | 31.2 | Very low | 33 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 64.5 | 93.8 | 150 | -54.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 696 | L | 32.4 | Very low | 32.6 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | -168.4 | 154.1 | 127.3 | -124 | 69.5 | 0 | 0 | 0 | 108.5 | |||||
| 697 | L | 34.7 | Very low | 32.6 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 76.6 | 86.4 | -173.2 | -52 | 168.2 | 0 | 0 | 0 | 114.6 | L699 | L697-L699 PolarHBondContact O-N 2.98Š|
| 698 | G | 30.3 | Very low | 32.4 | Very low | 82 Ų | 82 | 138 Ų | 138 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -78.3 | 96.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 699 | L | 43.4 | Very low | 32.4 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -110.9 | 118.5 | 160.5 | -70.2 | 175.5 | 0 | 0 | 0 | 109.3 | L697 S701 | L697-L699 PolarHBondContact O-N 2.98Å; L699-S701 PolarHBondContact O-N 3.32Å; L699-S701 VanDerWaalsContact O-N 3.17Å | ||
| 700 | P | 34.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 98.4 | 161.9 | 31.2 | -29.4 | 0 | 0 | 0 | 108.3 | ||||
| 701 | S | 29.5 | Very low | 32.4 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 150.3 | 141.5 | 63 | 0 | 0 | 0 | 0 | 107.9 | L699 | L699-S701 PolarHBondContact O-N 3.32Å; L699-S701 VanDerWaalsContact O-N 3.17Å | ||
| 702 | L | 35.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 173.3 | 131.9 | 130.4 | -91.2 | 163.5 | 0 | 0 | 0 | 111.7 | ||||
| 703 | S | 33.9 | Very low | 32.5 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | 69.4 | 90.2 | 139.8 | -53.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 704 | I | 29.9 | Very low | 32.4 | Very low | 153 Ų | 153 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -46.9 | 159.7 | 134.6 | -63.5 | 157.8 | 0 | 0 | 0 | 110.9 | ||||
| 705 | N | 29.4 | Very low | 32.7 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 88.1 | 114.6 | -174.7 | -51.6 | -40.9 | 0 | 0 | 0 | 110.9 | ||||
| 706 | T | 29.6 | Very low | 32.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 158.1 | 146.7 | 61.2 | -101.2 | 0 | 0 | 0 | 0 | 104.4 | |||||
| 707 | I | 31.6 | Very low | 32.8 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -161.8 | 155.2 | -0.9 | -121.1 | 177.7 | 0 | 0 | 0 | 108.7 | ||||
| 708 | L | 31.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 33.8 | 119.2 | 161.7 | -77.1 | 66.6 | 0 | 0 | 0 | 121 | ||||
| 709 | N | 30.5 | Very low | 32.8 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | -144.1 | 110.7 | 116.5 | -164 | 9.4 | 0 | 0 | 0 | 110.4 | Q711 | N709-Q711 PolarHBondContact O-N 3.41Š| |||
| 710 | P | 31 | Very low | 32.4 | Very low | 78 Ų | 78 | 137 Ų | 137 | 51% | 0.506 | 76% | 0.759 | S | S | . | * | trans | -97.1 | 53.3 | -162 | 38.8 | -37.7 | 0 | 0 | 0 | 114.3 | ||||
| 711 | Q | 34.3 | Very low | 32.3 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -144.5 | 44.4 | 179.2 | -78 | -62 | -78.3 | 0 | 0 | 114.6 | N709 | N709-Q711 PolarHBondContact O-N 3.41Š|
| 712 | Q | 35.7 | Very low | 32.8 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -162.4 | 39.5 | 158.5 | -116 | 166.3 | 12.9 | 0 | 0 | 113.6 | N714 | Q712-N714 VanDerWaalsContact C-N 3.3Å; Q712-N714 PolarHBondContact O-N 3.02Å | ||
| 713 | Q | 30.3 | Very low | 33.4 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -77.3 | 78.8 | 170.3 | -72 | 175.9 | -37.7 | 0 | 0 | 110.2 | ||||
| 714 | N | 31.6 | Very low | 34.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -160.5 | 73.6 | 171.5 | -96.7 | -25.9 | 0 | 0 | 0 | 111.2 | Q712 | Q712-N714 VanDerWaalsContact C-N 3.3Å; Q712-N714 PolarHBondContact O-N 3.02Å |
| 715 | S | 35.8 | Very low | 36.2 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 178.7 | -17.5 | 161.3 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 716 | L | 33.9 | Very low | 38.8 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -112 | 9.4 | -171 | -94.4 | 163.4 | 0 | 0 | 0 | 116 | ||
| 717 | F | 31.2 | Very low | 41.6 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | trans | -129.7 | 96.3 | 170.6 | -86.7 | -90.7 | 0 | 0 | 0 | 110.3 | ||||
| 718 | S | 31.9 | Very low | 44.4 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | trans | -126 | 36 | 164.4 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | T722 | S718-T722 PolarHBondContact OG-OG1 3.07Š| ||
| 719 | L | 34.1 | Very low | 47.3 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -86.3 | 129.7 | 163.4 | -77 | 86.1 | 0 | 0 | 0 | 107.8 | ||||
| 720 | A | 34.5 | Very low | 50.2 | Low | 85 Ų | 85 | 128.6 Ų | 128.6 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 71.3 | 112.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 721 | N | 32.9 | Very low | 53 | Low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | trans | 75.3 | 73.9 | 162.9 | -50.9 | -20.7 | 0 | 0 | 0 | 117.9 | ||||
| 722 | T | 40.2 | Very low | 55.7 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | trans | -137.7 | 141.4 | 151.9 | 29.6 | 0 | 0 | 0 | 0 | 108.6 | S718 | S718-T722 PolarHBondContact OG-OG1 3.07Š| ||
| 723 | E | 47.4 | Very low | 58.3 | Low | 190 Ų | 190 | 115.3 Ų | 115.3 | 89% | 0.888 | 62% | 0.618 | S | S | * | * | trans | -52.7 | 134.2 | -165 | -60.4 | 171.4 | 158.9 | 0 | 0 | 113.2 | S725 | E723-S725 VanDerWaalsContact C-N 3.27Å; E723-S725 PolarHBondContact O-N 3.02Å | ||
| 724 | E | 54 | Low | 61.2 | Low | 140 Ų | 140 | 109 Ų | 109 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | trans | -69.3 | 82.9 | 178.1 | -66.3 | -161.9 | 158.3 | 0 | 0 | 110.7 | I726 K779 | E724-I726 PolarHBondContact O-N 3.3Å; E724-K779 WeakPolarHBondContact OE1-CE 3.4Å; E724-K779 IonicContact OE1-NZ 2.59Å; E724-K779 PolarHBondContact OE1-NZ 2.95Å; E724-K779 WeakPolarHBondContact OE2-CE 3.37Å; E724-K779 IonicContact OE2-NZ 2.94Å; E724-K779 PolarHBondContact OE2-NZ 3.46Å | ||
| 725 | S | 69.5 | Low | 63.8 | Low | 91 Ų | 91 | 103.1 Ų | 103.1 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | trans | -61.6 | 107.8 | 178.1 | 63.9 | 0 | 0 | 0 | 0 | 110 | E723 I727 | E723-S725 VanDerWaalsContact C-N 3.27Å; E723-S725 PolarHBondContact O-N 3.02Å; S725-I727 PolarHBondContact O-N 2.93Å; S725-I727 VanDerWaalsContact O-N 3.12Å | ||
| 726 | I | 83.4 | Confident | 66.3 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 65% | 0.651 | 56% | 0.56 | S | S | * | * | trans | -66.2 | 111.2 | 174.8 | -59.8 | 172.7 | 0 | 0 | 0 | 107.7 | E724 | E724-I726 PolarHBondContact O-N 3.3Š| ||
| 727 | I | 88.5 | Confident | 69 | Low | 54 Ų | 54 | 98 Ų | 98 | 28% | 0.277 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.9 | 176.1 | -61 | -180 | 0 | 0 | 0 | 108 | S725 S777 G778 L780 | S725-I727 PolarHBondContact O-N 2.93Å; S725-I727 VanDerWaalsContact O-N 3.12Å; I727-S777 CarbonylContact O-C 3.58Å; I727-S777 VanDerWaalsContact O-CA 3.28Å; I727-S777 WeakPolarHBondContact O-CA 3.43Å; I727-G778 PolarHBondContact N-O 3.11Å; I727-G778 PolarHBondContact O-N 3.37Å; I727-L780 HydrophobicContact CD1-CB 3.78Å; I727-L780 HydrophobicContact CD1-CD1 3.77Å; I727-L780 HydrophobicContact CD1-CG 4.26Å |
| 728 | V | 91 | Very high | 71.8 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.6 | 174 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | T775 V776 | V728-T775 HydrophobicContact CG1-CG2 3.46Å; V728-T775 VanDerWaalsContact CG1-CG2 3.46Å; V728-V776 WeakPolarHBondContact CA-O 3.48Å |
| 729 | R | 92 | Very high | 74.5 | Confident | 87 Ų | 87 | 87.4 Ų | 87.4 | 33% | 0.328 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.6 | 173.3 | 179.7 | 169.7 | -78.7 | 141.6 | 3.1 | 110.1 | V776 V783 N784 | R729-V776 PolarHBondContact N-O 3.28Å; R729-V776 PolarHBondContact O-N 3.05Å; R729-V783 HydrophobicContact CB-CG1 3.71Å; R729-N784 PolarHBondContact NH1-OD1 2.82Å |
| 730 | E | 91.1 | Very high | 77.1 | Confident | 109 Ų | 109 | 81.4 Ų | 81.4 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.6 | -177.8 | -53.3 | -171 | 132.9 | 0 | 0 | 110.1 | K773 I774 | E730-K773 WeakPolarHBondContact OE1-CE 3.44Å; E730-K773 IonicContact OE1-NZ 2.76Å; E730-K773 PolarHBondContact OE1-NZ 3.41Å; E730-K773 WeakPolarHBondContact OE2-CE 3.37Å; E730-K773 IonicContact OE2-NZ 2.72Å; E730-K773 PolarHBondContact OE2-NZ 3.32Å; E730-I774 CarbonylContact C-O 3.59Å; E730-I774 WeakPolarHBondContact CA-O 3.49Å |
| 731 | M | 90.5 | Very high | 79.9 | Confident | 23 Ų | 23 | 77.3 Ų | 77.3 | 11% | 0.113 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.4 | -179.8 | -60.6 | 173.7 | 69.1 | 0 | 0 | 108.8 | K773 I774 Q787 I790 N791 | M731-K773 CarbonylContact O-C 3.59Å; M731-K773 WeakPolarHBondContact O-CA 3.5Å; M731-I774 HydrophobicContact CB-CB 4.48Å; M731-I774 PolarHBondContact N-O 3.5Å; M731-I774 PolarHBondContact O-N 3.34Å; M731-Q787 HydrophobicContact CE-CG 3.99Å; M731-Q787 HydrophobicContact SD-CB 4.28Å; M731-Q787 HydrophobicContact SD-CG 3.93Å; M731-I790 HydrophobicContact CE-CB 4.38Å; M731-I790 HydrophobicContact CE-CG2 3.81Å; M731-I790 HydrophobicContact SD-CD1 4.3Å; M731-I790 HydrophobicContact SD-CG2 4.46Å; M731-N791 VanDerWaalsContact CE-OD1 3.27Å; M731-N791 WeakPolarHBondContact CE-OD1 3.4Å |
| 732 | I | 91.2 | Very high | 82.7 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129 | 177.4 | -58.5 | 173.9 | 0 | 0 | 0 | 108.2 | E771 | I732-E771 HydrophobicContact CG2-CB 3.82Å; I732-E771 HydrophobicContact CG2-CG 4.45Å; I732-E771 VanDerWaalsContact CG2-OE2 3.3Å; I732-E771 WeakPolarHBondContact CG2-OE2 3.46Å |
| 733 | I | 90.4 | Very high | 85.1 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.5 | -170.5 | -57 | -173.8 | 0 | 0 | 0 | 110.2 | V737 I738 I741 E771 R772 I774 I790 I794 | I733-V737 HydrophobicContact CG2-CG2 3.46Å; I733-V737 VanDerWaalsContact CG2-CG2 3.46Å; I733-I738 HydrophobicContact CG2-CD1 4.43Å; I733-I741 HydrophobicContact CD1-CD1 3.58Å; I733-I741 HydrophobicContact CG2-CD1 3.94Å; I733-E771 CarbonylContact O-C 3.57Å; I733-E771 WeakPolarHBondContact O-CA 3.33Å; I733-R772 PolarHBondContact N-O 3.29Å; I733-R772 PolarHBondContact O-N 3.32Å; I733-I774 HydrophobicContact CD1-CD1 3.6Å; I733-I774 HydrophobicContact CD1-CG1 4.1Å; I733-I790 HydrophobicContact CD1-CG2 3.84Å; I733-I794 HydrophobicContact CD1-CD1 4.04Å |
| 734 | S | 89.4 | Confident | 87 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 145 | 179.7 | -39.1 | 0 | 0 | 0 | 0 | 112.8 | D736 V737 I738 | S734-D736 PolarHBondContact O-N 3.31Å; S734-D736 VanDerWaalsContact O-N 3.14Å; S734-V737 PolarHBondContact O-N 3.23Å; S734-I738 PolarHBondContact O-N 3.49Å |
| 735 | N | 87.1 | Confident | 88.7 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.8 | -27.6 | 178.2 | -85.4 | -83.5 | 0 | 0 | 0 | 113.2 | V737 I738 A769 K770 E771 R772 | N735-V737 VanDerWaalsContact C-N 3.25Å; N735-V737 PolarHBondContact O-N 3.25Å; N735-I738 WeakPolarHBondContact O-CG2 3.36Å; N735-A769 PolarHBondContact ND2-O 3.12Å; N735-K770 PolarHBondContact N-O 2.84Å; N735-K770 PolarHBondContact ND2-O 2.79Å; N735-E771 PolarHBondContact ND2-N 3.11Å; N735-R772 PolarHBondContact OD1-NE 3.45Å; N735-R772 PolarHBondContact OD1-NH2 3.46Å |
| 736 | D | 88 | Confident | 89.7 | Confident | 144 Ų | 144 | 59 Ų | 59 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.5 | -24.7 | -178.4 | -51.7 | -46.3 | 0 | 0 | 0 | 113.2 | S734 | S734-D736 PolarHBondContact O-N 3.31Å; S734-D736 VanDerWaalsContact O-N 3.14Å |
| 737 | V | 90.5 | Very high | 90.2 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -111.6 | -11.3 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | I733 S734 N735 G739 C740 | I733-V737 HydrophobicContact CG2-CG2 3.46Å; I733-V737 VanDerWaalsContact CG2-CG2 3.46Å; S734-V737 PolarHBondContact O-N 3.23Å; N735-V737 VanDerWaalsContact C-N 3.25Å; N735-V737 PolarHBondContact O-N 3.25Å; V737-G739 PolarHBondContact O-N 2.84Å; V737-G739 VanDerWaalsContact O-N 3.11Å; V737-C740 PolarHBondContact O-N 3.35Å; V737-C740 VanDerWaalsContact O-N 3.11Å; V737-C740 PolarHBondContact O-SG 3.39Å |
| 738 | I | 90.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -28.7 | 178.8 | -159.8 | 62.1 | 0 | 0 | 0 | 112.5 | I733 S734 N735 C740 I741 I742 I762 I774 | I733-I738 HydrophobicContact CG2-CD1 4.43Å; S734-I738 PolarHBondContact O-N 3.49Å; N735-I738 WeakPolarHBondContact O-CG2 3.36Å; I738-C740 VanDerWaalsContact C-N 3.33Å; I738-C740 PolarHBondContact O-N 3.35Å; I738-I741 HydrophobicContact CD1-CD1 4.19Å; I738-I741 PolarHBondContact O-N 2.77Å; I738-I742 HydrophobicContact CG1-CD1 3.98Å; I738-I742 HydrophobicContact CG1-CG1 4.45Å; I738-I742 WeakPolarHBondContact O-CG1 3.45Å; I738-I742 PolarHBondContact O-N 2.98Å; I738-I742 VanDerWaalsContact O-N 3.07Å; I738-I762 HydrophobicContact CD1-CG2 4.17Å; I738-I762 HydrophobicContact CG1-CG2 4.39Å; I738-I774 HydrophobicContact CD1-CD1 3.76Å; I738-I774 HydrophobicContact CD1-CG1 4.18Å |
| 739 | G | 89.4 | Confident | 90.6 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -32 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V737 G743 | V737-G739 PolarHBondContact O-N 2.84Å; V737-G739 VanDerWaalsContact O-N 3.11Å; G739-G743 PolarHBondContact O-N 3.11Å |
| 740 | C | 88.6 | Confident | 90.7 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 14% | 0.142 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -77.4 | -29 | 178.7 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | V737 I738 S793 H797 | V737-C740 PolarHBondContact O-N 3.35Å; V737-C740 VanDerWaalsContact O-N 3.11Å; V737-C740 PolarHBondContact O-SG 3.39Å; I738-C740 VanDerWaalsContact C-N 3.33Å; I738-C740 PolarHBondContact O-N 3.35Å; C740-S793 PolarHBondContact O-OG 3.26Å; C740-H797 HydrophobicContact CB-CB 3.64Å; C740-H797 VanDerWaalsContact CB-CD2 3.49Å; C740-H797 WeakPolarHBondContact CB-CD2 3.24Å; C740-H797 VanDerWaalsContact CB-CG 3.45Å; C740-H797 VanDerWaalsContact SG-CB 3.52Å |
| 741 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.3 | -40.1 | 175.8 | -58.5 | 163.5 | 0 | 0 | 0 | 110.2 | I733 I738 T748 I749 I752 I774 I790 I794 | I733-I741 HydrophobicContact CD1-CD1 3.58Å; I733-I741 HydrophobicContact CG2-CD1 3.94Å; I738-I741 HydrophobicContact CD1-CD1 4.19Å; I738-I741 PolarHBondContact O-N 2.77Å; I741-T748 CarbonylContact O-C 3.59Å; I741-I749 HydrophobicContact CG2-CD1 4.4Å; I741-I749 WeakPolarHBondContact O-CA 3.43Å; I741-I749 WeakPolarHBondContact O-CB 3.35Å; I741-I749 PolarHBondContact O-N 3.17Å; I741-I749 VanDerWaalsContact O-N 3.09Å; I741-I752 HydrophobicContact CG2-CD1 4.45Å; I741-I774 HydrophobicContact CD1-CD1 4.28Å; I741-I774 HydrophobicContact CG2-CD1 4.29Å; I741-I790 HydrophobicContact CD1-CG2 4.04Å; I741-I790 HydrophobicContact CG1-CG2 4.5Å; I741-I790 HydrophobicContact CG2-CG1 4.35Å; I741-I794 HydrophobicContact CD1-CD1 3.99Å; I741-I794 HydrophobicContact CD1-CG1 3.84Å; I741-I794 HydrophobicContact CG1-CG1 4.09Å |
| 742 | I | 92.1 | Very high | 91 | Very high | 49 Ų | 49 | 51.7 Ų | 51.7 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.1 | -47.3 | 176.7 | -63.8 | 170.3 | 0 | 0 | 0 | 110.6 | I738 G746 T748 I749 I762 | I738-I742 HydrophobicContact CG1-CD1 3.98Å; I738-I742 HydrophobicContact CG1-CG1 4.45Å; I738-I742 WeakPolarHBondContact O-CG1 3.45Å; I738-I742 PolarHBondContact O-N 2.98Å; I738-I742 VanDerWaalsContact O-N 3.07Å; I742-G746 CarbonylContact O-C 3.21Å; I742-G746 WeakPolarHBondContact O-CA 3.26Å; I742-T748 PolarHBondContact O-N 2.9Å; I742-I749 HydrophobicContact CG2-CG2 4.35Å; I742-I749 PolarHBondContact O-N 3.14Å; I742-I762 HydrophobicContact CD1-CD1 4.26Å; I742-I762 HydrophobicContact CG1-CD1 3.77Å |
| 743 | G | 89.5 | Confident | 91.2 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 19% | 0.186 | 29% | 0.294 | C | S | . | . | trans | 76.7 | 167.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G739 G745 G746 T748 | G739-G743 PolarHBondContact O-N 3.11Å; G743-G745 PolarHBondContact O-N 2.91Å; G743-G745 VanDerWaalsContact O-N 3.08Å; G743-G746 PolarHBondContact O-N 3.43Å; G743-G746 VanDerWaalsContact O-N 3.13Å; G743-T748 WeakPolarHBondContact CA-OG1 3.38Å | ||
| 744 | R | 88.5 | Confident | 91.4 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -65.7 | 111.2 | 179.2 | -70 | -173.2 | 178.7 | 168 | 3.1 | 109.8 | G746 T747 Y920 | R744-G746 VanDerWaalsContact C-N 3.34Å; R744-T747 PolarHBondContact O-OG1 3.37Å; R744-Y920 HydrophobicContact CG-CE1 4.49Å; R744-Y920 VanDerWaalsContact NH1-CD1 3.34Å; R744-Y920 PolarHBondContact NH2-OXT 2.81Å |
| 745 | G | 89.3 | Confident | 91.6 | Very high | 85 Ų | 85 | 57 Ų | 57 | 88% | 0.876 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | 76.4 | 15.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G743 | G743-G745 PolarHBondContact O-N 2.91Å; G743-G745 VanDerWaalsContact O-N 3.08Å |
| 746 | G | 90.8 | Very high | 92 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 80.9 | 11.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I742 G743 R744 I749 N750 | I742-G746 CarbonylContact O-C 3.21Å; I742-G746 WeakPolarHBondContact O-CA 3.26Å; G743-G746 PolarHBondContact O-N 3.43Å; G743-G746 VanDerWaalsContact O-N 3.13Å; R744-G746 VanDerWaalsContact C-N 3.34Å; G746-I749 VanDerWaalsContact O-CG2 3.23Å; G746-I749 WeakPolarHBondContact O-CG2 3.4Å; G746-N750 WeakPolarHBondContact O-CB 3.33Å; G746-N750 PolarHBondContact O-N 3.39Å; G746-N750 VanDerWaalsContact O-N 3.08Å; G746-N750 PolarHBondContact O-ND2 3.12Å |
| 747 | T | 93.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.1 | -52.6 | -178.6 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | R744 I749 N750 E751 | R744-T747 PolarHBondContact O-OG1 3.37Å; T747-I749 PolarHBondContact O-N 3.22Å; T747-N750 PolarHBondContact O-N 2.91Å; T747-N750 VanDerWaalsContact O-N 3.11Å; T747-E751 WeakPolarHBondContact O-CG 3.39Å; T747-E751 PolarHBondContact O-N 3.23Å |
| 748 | T | 93.2 | Very high | 92.3 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 23% | 0.233 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | -175.9 | -48 | 0 | 0 | 0 | 0 | 112 | I741 I742 G743 N750 E751 I752 | I741-T748 CarbonylContact O-C 3.59Å; I742-T748 PolarHBondContact O-N 2.9Å; G743-T748 WeakPolarHBondContact CA-OG1 3.38Å; T748-N750 VanDerWaalsContact C-N 3.29Å; T748-N750 PolarHBondContact O-N 3.02Å; T748-E751 PolarHBondContact O-N 3.22Å; T748-I752 HydrophobicContact CG2-CD1 4.21Å; T748-I752 VanDerWaalsContact O-CG1 3.25Å; T748-I752 WeakPolarHBondContact O-CG1 3.32Å; T748-I752 PolarHBondContact O-N 2.9Å |
| 749 | I | 94 | Very high | 92.4 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 175.7 | -174.6 | 60.5 | 0 | 0 | 0 | 112.2 | I741 I742 G746 T747 R753 I760 I762 | I741-I749 HydrophobicContact CG2-CD1 4.4Å; I741-I749 WeakPolarHBondContact O-CA 3.43Å; I741-I749 WeakPolarHBondContact O-CB 3.35Å; I741-I749 PolarHBondContact O-N 3.17Å; I741-I749 VanDerWaalsContact O-N 3.09Å; I742-I749 HydrophobicContact CG2-CG2 4.35Å; I742-I749 PolarHBondContact O-N 3.14Å; G746-I749 VanDerWaalsContact O-CG2 3.23Å; G746-I749 WeakPolarHBondContact O-CG2 3.4Å; T747-I749 PolarHBondContact O-N 3.22Å; I749-R753 WeakPolarHBondContact O-CB 3.14Å; I749-R753 VanDerWaalsContact O-CG 3.23Å; I749-R753 WeakPolarHBondContact O-CG 3.45Å; I749-R753 PolarHBondContact O-N 3.38Å; I749-I760 HydrophobicContact CD1-CB 4.27Å; I749-I760 HydrophobicContact CD1-CD1 4.31Å; I749-I760 HydrophobicContact CD1-CG2 3.82Å; I749-I762 HydrophobicContact CD1-CD1 4.24Å; I749-I762 HydrophobicContact CG1-CD1 4.18Å |
| 750 | N | 93.9 | Very high | 92.6 | Very high | 84 Ų | 84 | 60.6 Ų | 60.6 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.9 | -36.8 | 176 | -70.6 | -15.9 | 0 | 0 | 0 | 112 | G746 T747 T748 R753 N754 | G746-N750 WeakPolarHBondContact O-CB 3.33Å; G746-N750 PolarHBondContact O-N 3.39Å; G746-N750 VanDerWaalsContact O-N 3.08Å; G746-N750 PolarHBondContact O-ND2 3.12Å; T747-N750 PolarHBondContact O-N 2.91Å; T747-N750 VanDerWaalsContact O-N 3.11Å; T748-N750 VanDerWaalsContact C-N 3.29Å; T748-N750 PolarHBondContact O-N 3.02Å; N750-R753 PolarHBondContact O-N 2.89Å; N750-R753 PolarHBondContact OD1-NH1 3.47Å; N750-N754 VanDerWaalsContact O-CB 3.32Å; N750-N754 WeakPolarHBondContact O-CB 2.98Å; N750-N754 PolarHBondContact O-N 2.91Å |
| 751 | E | 94.2 | Very high | 92.8 | Very high | 122 Ų | 122 | 66.9 Ų | 66.9 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.2 | -47.2 | 169.7 | -73.4 | 164.9 | -159.6 | 0 | 0 | 111.3 | T747 T748 R753 N754 A755 | T747-E751 WeakPolarHBondContact O-CG 3.39Å; T747-E751 PolarHBondContact O-N 3.23Å; T748-E751 PolarHBondContact O-N 3.22Å; E751-R753 PolarHBondContact O-N 3.36Å; E751-N754 PolarHBondContact O-N 2.84Å; E751-A755 WeakPolarHBondContact O-CB 3.38Å; E751-A755 PolarHBondContact O-N 2.74Å |
| 752 | I | 94.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 177.8 | -64.6 | 168.3 | 0 | 0 | 0 | 111.1 | I741 T748 S756 I760 L789 I790 | I741-I752 HydrophobicContact CG2-CD1 4.45Å; T748-I752 HydrophobicContact CG2-CD1 4.21Å; T748-I752 VanDerWaalsContact O-CG1 3.25Å; T748-I752 WeakPolarHBondContact O-CG1 3.32Å; T748-I752 PolarHBondContact O-N 2.9Å; I752-S756 VanDerWaalsContact O-CB 3.28Å; I752-S756 WeakPolarHBondContact O-CB 3.27Å; I752-S756 PolarHBondContact O-N 2.94Å; I752-S756 PolarHBondContact O-OG 3.45Å; I752-I760 HydrophobicContact CG2-CD1 3.6Å; I752-L789 HydrophobicContact CG1-CB 4.16Å; I752-L789 HydrophobicContact CG2-CB 3.93Å; I752-L789 HydrophobicContact CG2-CD1 4.22Å; I752-I790 HydrophobicContact CG2-CG1 4.33Å |
| 753 | R | 94.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 68.2 Ų | 68.2 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174 | -75.7 | 168 | 177.4 | 150.6 | -3 | 112 | I749 N750 E751 K757 I760 | I749-R753 WeakPolarHBondContact O-CB 3.14Å; I749-R753 VanDerWaalsContact O-CG 3.23Å; I749-R753 WeakPolarHBondContact O-CG 3.45Å; I749-R753 PolarHBondContact O-N 3.38Å; N750-R753 PolarHBondContact O-N 2.89Å; N750-R753 PolarHBondContact OD1-NH1 3.47Å; E751-R753 PolarHBondContact O-N 3.36Å; R753-K757 WeakPolarHBondContact O-CA 3.05Å; R753-K757 PolarHBondContact O-N 2.89Å; R753-I760 HydrophobicContact CG-CB 4.07Å; R753-I760 HydrophobicContact CG-CD1 4.03Å; R753-I760 HydrophobicContact CG-CG1 4.19Å; R753-I760 PolarHBondContact NE-O 3.3Å; R753-I760 PolarHBondContact NH2-O 3.48Å |
| 754 | N | 94.9 | Very high | 92.2 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 71% | 0.711 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.3 | -41.8 | 180 | -171.7 | 45.7 | 0 | 0 | 0 | 112.3 | N750 E751 | N750-N754 VanDerWaalsContact O-CB 3.32Å; N750-N754 WeakPolarHBondContact O-CB 2.98Å; N750-N754 PolarHBondContact O-N 2.91Å; E751-N754 PolarHBondContact O-N 2.84Å |
| 755 | A | 94.4 | Very high | 91.4 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.2 | -46.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E751 L789 | E751-A755 WeakPolarHBondContact O-CB 3.38Å; E751-A755 PolarHBondContact O-N 2.74Å; A755-L789 HydrophobicContact CB-CD1 3.8Å |
| 756 | S | 94.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.9 | -28 | -179 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | I752 A758 S782 | I752-S756 VanDerWaalsContact O-CB 3.28Å; I752-S756 WeakPolarHBondContact O-CB 3.27Å; I752-S756 PolarHBondContact O-N 2.94Å; I752-S756 PolarHBondContact O-OG 3.45Å; S756-A758 PolarHBondContact O-N 3.38Å; S756-A758 VanDerWaalsContact O-N 3.15Å; S756-A758 PolarHBondContact OG-N 2.94Å; S756-S782 WeakPolarHBondContact O-CA 3.36Å; S756-S782 WeakPolarHBondContact O-CB 3.46Å; S756-S782 PolarHBondContact O-OG 3.32Å |
| 757 | K | 92.6 | Very high | 89.7 | Confident | 178 Ų | 178 | 81.3 Ų | 81.3 | 77% | 0.774 | 42% | 0.418 | S | S | * | . | trans | 57 | 15.6 | -165.9 | -53.2 | 177.3 | -177.5 | 175 | 0 | 113.6 | R753 | R753-K757 WeakPolarHBondContact O-CA 3.05Å; R753-K757 PolarHBondContact O-N 2.89Å | ||
| 758 | A | 91.7 | Very high | 88.8 | Confident | 6 Ų | 6 | 81.6 Ų | 81.6 | 5% | 0.05 | 44% | 0.435 | C | S | . | . | trans | -85.3 | 147.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | S756 I760 V776 A786 | S756-A758 PolarHBondContact O-N 3.38Å; S756-A758 VanDerWaalsContact O-N 3.15Å; S756-A758 PolarHBondContact OG-N 2.94Å; A758-I760 HydrophobicContact CB-CG1 4.32Å; A758-I760 PolarHBondContact O-N 2.87Å; A758-V776 HydrophobicContact CB-CG1 3.88Å; A758-A786 HydrophobicContact CB-CB 3.88Å | ||
| 759 | Q | 93 | Very high | 88 | Confident | 139 Ų | 139 | 81.6 Ų | 81.6 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 107.6 | 169.7 | 176 | -176.3 | 45.7 | 0 | 0 | 108.6 | S777 | Q759-S777 WeakPolarHBondContact CB-OG 3.49Å; Q759-S777 PolarHBondContact N-O 3.47Å; Q759-S777 PolarHBondContact O-N 2.91Å; Q759-S777 PolarHBondContact O-OG 2.99Å; Q759-S777 PolarHBondContact OE1-OG 2.76Å |
| 760 | I | 94.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 90 Ų | 90 | 3% | 0.031 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.4 | -178.8 | -52.4 | 172 | 0 | 0 | 0 | 109.8 | I749 I752 R753 A758 I774 V776 A786 | I749-I760 HydrophobicContact CD1-CB 4.27Å; I749-I760 HydrophobicContact CD1-CD1 4.31Å; I749-I760 HydrophobicContact CD1-CG2 3.82Å; I752-I760 HydrophobicContact CG2-CD1 3.6Å; R753-I760 HydrophobicContact CG-CB 4.07Å; R753-I760 HydrophobicContact CG-CD1 4.03Å; R753-I760 HydrophobicContact CG-CG1 4.19Å; R753-I760 PolarHBondContact NE-O 3.3Å; R753-I760 PolarHBondContact NH2-O 3.48Å; A758-I760 HydrophobicContact CB-CG1 4.32Å; A758-I760 PolarHBondContact O-N 2.87Å; I760-I774 HydrophobicContact CG2-CG2 3.56Å; I760-V776 HydrophobicContact CG1-CG1 4.35Å; I760-V776 HydrophobicContact CG1-CG2 4.43Å; I760-V776 HydrophobicContact CG2-CG2 4.35Å; I760-A786 HydrophobicContact CD1-CB 3.9Å; I760-A786 HydrophobicContact CG1-CB 4.37Å |
| 761 | K | 92.4 | Very high | 87.3 | Confident | 153 Ų | 153 | 91 Ų | 91 | 67% | 0.665 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.2 | 177.5 | -172.2 | 177.5 | -178 | -178.1 | 0 | 109.5 | T775 | K761-T775 PolarHBondContact N-O 3.44Å; K761-T775 PolarHBondContact O-N 2.96Å |
| 762 | I | 91.9 | Very high | 87 | Confident | 32 Ų | 32 | 88.3 Ų | 88.3 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.2 | 175.3 | -55.9 | 175.4 | 0 | 0 | 0 | 106.9 | I738 I742 I749 I774 | I738-I762 HydrophobicContact CD1-CG2 4.17Å; I738-I762 HydrophobicContact CG1-CG2 4.39Å; I742-I762 HydrophobicContact CD1-CD1 4.26Å; I742-I762 HydrophobicContact CG1-CD1 3.77Å; I749-I762 HydrophobicContact CD1-CD1 4.24Å; I749-I762 HydrophobicContact CG1-CD1 4.18Å; I762-I774 HydrophobicContact CD1-CD1 4.46Å; I762-I774 HydrophobicContact CG1-CD1 4.2Å; I762-I774 HydrophobicContact CG1-CG1 4.18Å; I762-I774 HydrophobicContact CG1-CG2 4.4Å; I762-I774 HydrophobicContact CG2-CG1 4.43Å |
| 763 | S | 86.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 91.6 Ų | 91.6 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.9 | 173.7 | 75.5 | 0 | 0 | 0 | 0 | 110.4 | K773 | S763-K773 WeakPolarHBondContact CB-O 3.49Å; S763-K773 PolarHBondContact N-O 3Å; S763-K773 PolarHBondContact OG-N 3.17Å; S763-K773 PolarHBondContact OG-O 3.47Å |
| 764 | N | 83.2 | Confident | 86.7 | Confident | 146 Ų | 146 | 87.2 Ų | 87.2 | 78% | 0.781 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 158.8 | 163.7 | -72.8 | -4.2 | 0 | 0 | 0 | 109.3 | E766 | N764-E766 PolarHBondContact O-N 2.95Š|
| 765 | C | 70.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 126.5 | 166.2 | -151.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 766 | E | 76.7 | Confident | 86.7 | Confident | 160 Ų | 160 | 79.8 Ų | 79.8 | 75% | 0.748 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 141.7 | 159.5 | -67.8 | 175.6 | 171.5 | 0 | 0 | 107.7 | N764 G768 A769 | N764-E766 PolarHBondContact O-N 2.95Å; E766-G768 PolarHBondContact O-N 2.63Å; E766-A769 HydrophobicContact CB-CB 4.24Å; E766-A769 WeakPolarHBondContact O-CB 3.35Å; E766-A769 PolarHBondContact O-N 2.72Å |
| 767 | D | 69.4 | Low | 86.6 | Confident | 177 Ų | 177 | 80.2 Ų | 80.2 | 95% | 0.947 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 109.5 | -172.4 | -74.3 | -47.9 | 0 | 0 | 0 | 111.1 | ||
| 768 | G | 72.9 | Confident | 86.6 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 81% | 0.814 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.5 | -8.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E766 K770 | E766-G768 PolarHBondContact O-N 2.63Å; G768-K770 PolarHBondContact O-N 2.76Å |
| 769 | A | 76.6 | Confident | 86.6 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 31% | 0.314 | 41% | 0.407 | S | S | . | . | trans | -69.8 | 127.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N735 E766 E771 | N735-A769 PolarHBondContact ND2-O 3.12Å; E766-A769 HydrophobicContact CB-CB 4.24Å; E766-A769 WeakPolarHBondContact O-CB 3.35Å; E766-A769 PolarHBondContact O-N 2.72Å; A769-E771 VanDerWaalsContact C-N 3.26Å; A769-E771 PolarHBondContact O-N 2.99Å | ||
| 770 | K | 85.1 | Confident | 86.5 | Confident | 182 Ų | 182 | 74.7 Ų | 74.7 | 79% | 0.791 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -75.1 | -13.5 | 175.5 | -70.2 | -172.5 | 178.7 | -177.9 | 0 | 113.6 | N735 G768 | N735-K770 PolarHBondContact N-O 2.84Å; N735-K770 PolarHBondContact ND2-O 2.79Å; G768-K770 PolarHBondContact O-N 2.76Å |
| 771 | E | 87.6 | Confident | 86.4 | Confident | 104 Ų | 104 | 80.5 Ų | 80.5 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 156.3 | -174.4 | -51.9 | -172.3 | 139 | 0 | 0 | 111.3 | I732 I733 N735 A769 | I732-E771 HydrophobicContact CG2-CB 3.82Å; I732-E771 HydrophobicContact CG2-CG 4.45Å; I732-E771 VanDerWaalsContact CG2-OE2 3.3Å; I732-E771 WeakPolarHBondContact CG2-OE2 3.46Å; I733-E771 CarbonylContact O-C 3.57Å; I733-E771 WeakPolarHBondContact O-CA 3.33Å; N735-E771 PolarHBondContact ND2-N 3.11Å; A769-E771 VanDerWaalsContact C-N 3.26Å; A769-E771 PolarHBondContact O-N 2.99Å |
| 772 | R | 89.2 | Confident | 86.5 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 25% | 0.249 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.3 | 173.2 | -61.9 | -169.5 | -160.7 | 174 | 6.8 | 110.6 | I733 N735 | I733-R772 PolarHBondContact N-O 3.29Å; I733-R772 PolarHBondContact O-N 3.32Å; N735-R772 PolarHBondContact OD1-NE 3.45Å; N735-R772 PolarHBondContact OD1-NH2 3.46Å |
| 773 | K | 89.7 | Confident | 86.7 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 35% | 0.348 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.1 | -179.1 | -169.8 | 175.9 | -176.5 | -177.6 | 0 | 110 | E730 M731 S763 | E730-K773 WeakPolarHBondContact OE1-CE 3.44Å; E730-K773 IonicContact OE1-NZ 2.76Å; E730-K773 PolarHBondContact OE1-NZ 3.41Å; E730-K773 WeakPolarHBondContact OE2-CE 3.37Å; E730-K773 IonicContact OE2-NZ 2.72Å; E730-K773 PolarHBondContact OE2-NZ 3.32Å; M731-K773 CarbonylContact O-C 3.59Å; M731-K773 WeakPolarHBondContact O-CA 3.5Å; S763-K773 WeakPolarHBondContact CB-O 3.49Å; S763-K773 PolarHBondContact N-O 3Å; S763-K773 PolarHBondContact OG-N 3.17Å; S763-K773 PolarHBondContact OG-O 3.47Å |
| 774 | I | 93 | Very high | 87 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.8 | 167.9 | -53.4 | -165.2 | 0 | 0 | 0 | 108.3 | E730 M731 I733 I738 I741 I760 I762 V776 I790 | E730-I774 CarbonylContact C-O 3.59Å; E730-I774 WeakPolarHBondContact CA-O 3.49Å; M731-I774 HydrophobicContact CB-CB 4.48Å; M731-I774 PolarHBondContact N-O 3.5Å; M731-I774 PolarHBondContact O-N 3.34Å; I733-I774 HydrophobicContact CD1-CD1 3.6Å; I733-I774 HydrophobicContact CD1-CG1 4.1Å; I738-I774 HydrophobicContact CD1-CD1 3.76Å; I738-I774 HydrophobicContact CD1-CG1 4.18Å; I741-I774 HydrophobicContact CD1-CD1 4.28Å; I741-I774 HydrophobicContact CG2-CD1 4.29Å; I760-I774 HydrophobicContact CG2-CG2 3.56Å; I762-I774 HydrophobicContact CD1-CD1 4.46Å; I762-I774 HydrophobicContact CG1-CD1 4.2Å; I762-I774 HydrophobicContact CG1-CG1 4.18Å; I762-I774 HydrophobicContact CG1-CG2 4.4Å; I762-I774 HydrophobicContact CG2-CG1 4.43Å; I774-V776 HydrophobicContact CG2-CG2 4.05Å; I774-I790 HydrophobicContact CG2-CD1 4.34Å |
| 775 | T | 93.8 | Very high | 87.6 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 20% | 0.202 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.9 | 173.3 | -49.3 | 0 | 0 | 0 | 0 | 108.3 | V728 K761 | V728-T775 HydrophobicContact CG1-CG2 3.46Å; V728-T775 VanDerWaalsContact CG1-CG2 3.46Å; K761-T775 PolarHBondContact N-O 3.44Å; K761-T775 PolarHBondContact O-N 2.96Å |
| 776 | V | 95 | Very high | 88.8 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114 | 179.9 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | V728 R729 A758 I760 I774 V783 A786 I790 | V728-V776 WeakPolarHBondContact CA-O 3.48Å; R729-V776 PolarHBondContact N-O 3.28Å; R729-V776 PolarHBondContact O-N 3.05Å; A758-V776 HydrophobicContact CB-CG1 3.88Å; I760-V776 HydrophobicContact CG1-CG1 4.35Å; I760-V776 HydrophobicContact CG1-CG2 4.43Å; I760-V776 HydrophobicContact CG2-CG2 4.35Å; I774-V776 HydrophobicContact CG2-CG2 4.05Å; V776-V783 HydrophobicContact CB-CG1 4.45Å; V776-V783 HydrophobicContact CG1-CB 4.25Å; V776-V783 HydrophobicContact CG1-CG1 4Å; V776-V783 HydrophobicContact CG1-CG2 4.2Å; V776-A786 HydrophobicContact CG1-CB 3.59Å; V776-I790 HydrophobicContact CG2-CD1 4.14Å |
| 777 | S | 92.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.1 | -179.6 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | I727 Q759 | I727-S777 CarbonylContact O-C 3.58Å; I727-S777 VanDerWaalsContact O-CA 3.28Å; I727-S777 WeakPolarHBondContact O-CA 3.43Å; Q759-S777 WeakPolarHBondContact CB-OG 3.49Å; Q759-S777 PolarHBondContact N-O 3.47Å; Q759-S777 PolarHBondContact O-N 2.91Å; Q759-S777 PolarHBondContact O-OG 2.99Å; Q759-S777 PolarHBondContact OE1-OG 2.76Å |
| 778 | G | 92.2 | Very high | 90.8 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.1 | -158.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I727 | I727-G778 PolarHBondContact N-O 3.11Å; I727-G778 PolarHBondContact O-N 3.37Å |
| 779 | K | 91.9 | Very high | 91.9 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | trans | -68.6 | 153.3 | 171.2 | -55.1 | -169.3 | -174.3 | -161.3 | 0 | 110.2 | E724 D781 S782 V783 | E724-K779 WeakPolarHBondContact OE1-CE 3.4Å; E724-K779 IonicContact OE1-NZ 2.59Å; E724-K779 PolarHBondContact OE1-NZ 2.95Å; E724-K779 WeakPolarHBondContact OE2-CE 3.37Å; E724-K779 IonicContact OE2-NZ 2.94Å; E724-K779 PolarHBondContact OE2-NZ 3.46Å; K779-D781 VanDerWaalsContact C-N 3.3Å; K779-D781 PolarHBondContact O-N 3.02Å; K779-S782 WeakPolarHBondContact O-CB 3.17Å; K779-S782 PolarHBondContact O-N 2.82Å; K779-S782 VanDerWaalsContact O-N 3.07Å; K779-V783 WeakPolarHBondContact O-CG2 3.45Å; K779-V783 PolarHBondContact O-N 3.11Å | ||
| 780 | L | 91.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 54.8 Ų | 54.8 | 45% | 0.445 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -50.6 | -48.8 | -178 | -178.5 | 56.4 | 0 | 0 | 0 | 112.5 | I727 S782 V783 N784 | I727-L780 HydrophobicContact CD1-CB 3.78Å; I727-L780 HydrophobicContact CD1-CD1 3.77Å; I727-L780 HydrophobicContact CD1-CG 4.26Å; L780-S782 PolarHBondContact O-N 3.11Å; L780-V783 PolarHBondContact O-N 2.87Å; L780-N784 WeakPolarHBondContact CD1-ND2 3.39Å; L780-N784 WeakPolarHBondContact O-CB 3.44Å; L780-N784 VanDerWaalsContact O-CG 3.22Å; L780-N784 PolarHBondContact O-N 3.42Å; L780-N784 PolarHBondContact O-ND2 2.84Å |
| 781 | D | 93.1 | Very high | 93.2 | Very high | 127 Ų | 127 | 49 Ų | 49 | 68% | 0.679 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.8 | -42.1 | -179.6 | -51.6 | -39.3 | 0 | 0 | 0 | 112 | K779 N784 L785 | K779-D781 VanDerWaalsContact C-N 3.3Å; K779-D781 PolarHBondContact O-N 3.02Å; D781-N784 PolarHBondContact O-N 3.42Å; D781-L785 VanDerWaalsContact O-CB 3.25Å; D781-L785 WeakPolarHBondContact O-CB 3.43Å; D781-L785 PolarHBondContact O-N 3.48Å |
| 782 | S | 94.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 175.5 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | S756 K779 L780 A786 | S756-S782 WeakPolarHBondContact O-CA 3.36Å; S756-S782 WeakPolarHBondContact O-CB 3.46Å; S756-S782 PolarHBondContact O-OG 3.32Å; K779-S782 WeakPolarHBondContact O-CB 3.17Å; K779-S782 PolarHBondContact O-N 2.82Å; K779-S782 VanDerWaalsContact O-N 3.07Å; L780-S782 PolarHBondContact O-N 3.11Å; S782-A786 WeakPolarHBondContact O-CB 3.49Å; S782-A786 PolarHBondContact O-N 3.11Å |
| 783 | V | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 178.9 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | R729 V776 K779 L780 A786 Q787 | R729-V783 HydrophobicContact CB-CG1 3.71Å; V776-V783 HydrophobicContact CB-CG1 4.45Å; V776-V783 HydrophobicContact CG1-CB 4.25Å; V776-V783 HydrophobicContact CG1-CG1 4Å; V776-V783 HydrophobicContact CG1-CG2 4.2Å; K779-V783 WeakPolarHBondContact O-CG2 3.45Å; K779-V783 PolarHBondContact O-N 3.11Å; L780-V783 PolarHBondContact O-N 2.87Å; V783-A786 PolarHBondContact O-N 2.93Å; V783-Q787 WeakPolarHBondContact O-CB 3.38Å; V783-Q787 PolarHBondContact O-N 3.43Å |
| 784 | N | 94.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.1 | -69.1 | -21.6 | 0 | 0 | 0 | 111.6 | R729 L780 D781 Q787 F788 | R729-N784 PolarHBondContact NH1-OD1 2.82Å; L780-N784 WeakPolarHBondContact CD1-ND2 3.39Å; L780-N784 WeakPolarHBondContact O-CB 3.44Å; L780-N784 VanDerWaalsContact O-CG 3.22Å; L780-N784 PolarHBondContact O-N 3.42Å; L780-N784 PolarHBondContact O-ND2 2.84Å; D781-N784 PolarHBondContact O-N 3.42Å; N784-Q787 PolarHBondContact O-N 3.31Å; N784-F788 WeakPolarHBondContact O-CB 3.43Å; N784-F788 PolarHBondContact O-N 2.85Å |
| 785 | L | 95.5 | Very high | 93.5 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 38% | 0.382 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.8 | 179.4 | 54.8 | 0 | 0 | 0 | 112 | D781 F788 L789 | D781-L785 VanDerWaalsContact O-CB 3.25Å; D781-L785 WeakPolarHBondContact O-CB 3.43Å; D781-L785 PolarHBondContact O-N 3.48Å; L785-F788 PolarHBondContact O-N 3.49Å; L785-L789 HydrophobicContact CD1-CD1 4.13Å; L785-L789 HydrophobicContact CD1-CG 4.18Å; L785-L789 HydrophobicContact CG-CD1 4.18Å; L785-L789 VanDerWaalsContact O-CG 3.29Å; L785-L789 WeakPolarHBondContact O-CG 3.47Å; L785-L789 PolarHBondContact O-N 3.39Å |
| 786 | A | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A758 I760 V776 S782 V783 F788 L789 I790 | A758-A786 HydrophobicContact CB-CB 3.88Å; I760-A786 HydrophobicContact CD1-CB 3.9Å; I760-A786 HydrophobicContact CG1-CB 4.37Å; V776-A786 HydrophobicContact CG1-CB 3.59Å; S782-A786 WeakPolarHBondContact O-CB 3.49Å; S782-A786 PolarHBondContact O-N 3.11Å; V783-A786 PolarHBondContact O-N 2.93Å; A786-F788 PolarHBondContact O-N 3.44Å; A786-L789 PolarHBondContact O-N 2.99Å; A786-I790 WeakPolarHBondContact O-CB 3.31Å; A786-I790 WeakPolarHBondContact O-CD1 3.32Å; A786-I790 VanDerWaalsContact O-CG1 3.24Å; A786-I790 WeakPolarHBondContact O-CG1 3.41Å; A786-I790 PolarHBondContact O-N 3.3Å |
| 787 | Q | 93.9 | Very high | 92.9 | Very high | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.5 | -179.3 | 175.9 | 2.2 | 0 | 0 | 112.1 | M731 V783 N784 I790 N791 | M731-Q787 HydrophobicContact CE-CG 3.99Å; M731-Q787 HydrophobicContact SD-CB 4.28Å; M731-Q787 HydrophobicContact SD-CG 3.93Å; V783-Q787 WeakPolarHBondContact O-CB 3.38Å; V783-Q787 PolarHBondContact O-N 3.43Å; N784-Q787 PolarHBondContact O-N 3.31Å; Q787-I790 PolarHBondContact O-N 3.48Å; Q787-N791 WeakPolarHBondContact O-CB 3.47Å; Q787-N791 PolarHBondContact O-N 2.88Å |
| 788 | F | 95.3 | Very high | 92.7 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 175 | 175.3 | -102.8 | 0 | 0 | 0 | 112 | F547 F551 N784 L785 A786 I790 N791 S792 | F547-F788 AromaticContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CE2 4.06Å; F547-F788 HydrophobicContact CZ-CD2 4.38Å; F551-F788 HydrophobicContact CE2-CE2 4.13Å; F551-F788 HydrophobicContact CE2-CZ 4.2Å; F551-F788 HydrophobicContact CZ-CE2 4.46Å; F551-F788 HydrophobicContact CZ-CZ 4.08Å; N784-F788 WeakPolarHBondContact O-CB 3.43Å; N784-F788 PolarHBondContact O-N 2.85Å; L785-F788 PolarHBondContact O-N 3.49Å; A786-F788 PolarHBondContact O-N 3.44Å; F788-I790 PolarHBondContact O-N 3.01Å; F788-N791 PolarHBondContact O-N 3.3Å; F788-S792 WeakPolarHBondContact O-CB 3.49Å; F788-S792 PolarHBondContact O-N 2.84Å |
| 789 | L | 94.6 | Very high | 92.5 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -39 | 179.8 | -69 | 171.2 | 0 | 0 | 0 | 112.6 | I752 A755 L785 A786 S792 S793 | I752-L789 HydrophobicContact CG1-CB 4.16Å; I752-L789 HydrophobicContact CG2-CB 3.93Å; I752-L789 HydrophobicContact CG2-CD1 4.22Å; A755-L789 HydrophobicContact CB-CD1 3.8Å; L785-L789 HydrophobicContact CD1-CD1 4.13Å; L785-L789 HydrophobicContact CD1-CG 4.18Å; L785-L789 HydrophobicContact CG-CD1 4.18Å; L785-L789 VanDerWaalsContact O-CG 3.29Å; L785-L789 WeakPolarHBondContact O-CG 3.47Å; L785-L789 PolarHBondContact O-N 3.39Å; A786-L789 PolarHBondContact O-N 2.99Å; L789-S792 PolarHBondContact O-N 2.8Å; L789-S793 WeakPolarHBondContact O-CB 3.42Å; L789-S793 PolarHBondContact O-N 3.47Å |
| 790 | I | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 174.2 | -70.8 | 165.1 | 0 | 0 | 0 | 110.5 | M731 I733 I741 I752 I774 V776 A786 Q787 F788 S792 S793 I794 | M731-I790 HydrophobicContact CE-CB 4.38Å; M731-I790 HydrophobicContact CE-CG2 3.81Å; M731-I790 HydrophobicContact SD-CD1 4.3Å; M731-I790 HydrophobicContact SD-CG2 4.46Å; I733-I790 HydrophobicContact CD1-CG2 3.84Å; I741-I790 HydrophobicContact CD1-CG2 4.04Å; I741-I790 HydrophobicContact CG1-CG2 4.5Å; I741-I790 HydrophobicContact CG2-CG1 4.35Å; I752-I790 HydrophobicContact CG2-CG1 4.33Å; I774-I790 HydrophobicContact CG2-CD1 4.34Å; V776-I790 HydrophobicContact CG2-CD1 4.14Å; A786-I790 WeakPolarHBondContact O-CB 3.31Å; A786-I790 WeakPolarHBondContact O-CD1 3.32Å; A786-I790 VanDerWaalsContact O-CG1 3.24Å; A786-I790 WeakPolarHBondContact O-CG1 3.41Å; A786-I790 PolarHBondContact O-N 3.3Å; Q787-I790 PolarHBondContact O-N 3.48Å; F788-I790 PolarHBondContact O-N 3.01Å; I790-S792 VanDerWaalsContact C-N 3.34Å; I790-S792 PolarHBondContact O-N 3.16Å; I790-S793 WeakPolarHBondContact O-CB 3.42Å; I790-S793 PolarHBondContact O-N 3.28Å; I790-I794 HydrophobicContact CG2-CD1 4.08Å; I790-I794 WeakPolarHBondContact O-CG1 3.28Å; I790-I794 PolarHBondContact O-N 2.99Å; I790-I794 VanDerWaalsContact O-N 3.16Å |
| 791 | N | 94 | Very high | 91.9 | Very high | 60 Ų | 60 | 60.8 Ų | 60.8 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 179.2 | -74.6 | -5 | 0 | 0 | 0 | 112.1 | M731 Q787 F788 I794 A795 | M731-N791 VanDerWaalsContact CE-OD1 3.27Å; M731-N791 WeakPolarHBondContact CE-OD1 3.4Å; Q787-N791 WeakPolarHBondContact O-CB 3.47Å; Q787-N791 PolarHBondContact O-N 2.88Å; F788-N791 PolarHBondContact O-N 3.3Å; N791-I794 PolarHBondContact O-N 3.46Å; N791-A795 PolarHBondContact O-N 2.95Å |
| 792 | S | 92 | Very high | 91.5 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.5 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | F788 L789 I790 I794 A795 I796 | F788-S792 WeakPolarHBondContact O-CB 3.49Å; F788-S792 PolarHBondContact O-N 2.84Å; L789-S792 PolarHBondContact O-N 2.8Å; I790-S792 VanDerWaalsContact C-N 3.34Å; I790-S792 PolarHBondContact O-N 3.16Å; S792-I794 VanDerWaalsContact C-N 3.34Å; S792-I794 PolarHBondContact O-N 3.06Å; S792-A795 PolarHBondContact O-N 3.07Å; S792-I796 VanDerWaalsContact O-CG1 3.31Å; S792-I796 WeakPolarHBondContact O-CG1 3.48Å; S792-I796 PolarHBondContact O-N 2.92Å |
| 793 | S | 90.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 112 | C740 L789 I790 H797 | C740-S793 PolarHBondContact O-OG 3.26Å; L789-S793 WeakPolarHBondContact O-CB 3.42Å; L789-S793 PolarHBondContact O-N 3.47Å; I790-S793 WeakPolarHBondContact O-CB 3.42Å; I790-S793 PolarHBondContact O-N 3.28Å; S793-H797 WeakPolarHBondContact O-CB 3.49Å; S793-H797 PolarHBondContact O-N 2.65Å |
| 794 | I | 92.1 | Very high | 90.7 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 177.9 | -61.1 | 162.3 | 0 | 0 | 0 | 111.2 | I733 I741 I790 N791 S792 H797 R798 | I733-I794 HydrophobicContact CD1-CD1 4.04Å; I741-I794 HydrophobicContact CD1-CD1 3.99Å; I741-I794 HydrophobicContact CD1-CG1 3.84Å; I741-I794 HydrophobicContact CG1-CG1 4.09Å; I790-I794 HydrophobicContact CG2-CD1 4.08Å; I790-I794 WeakPolarHBondContact O-CG1 3.28Å; I790-I794 PolarHBondContact O-N 2.99Å; I790-I794 VanDerWaalsContact O-N 3.16Å; N791-I794 PolarHBondContact O-N 3.46Å; S792-I794 VanDerWaalsContact C-N 3.34Å; S792-I794 PolarHBondContact O-N 3.06Å; I794-H797 PolarHBondContact O-N 3.05Å; I794-R798 HydrophobicContact CG2-CG 4.47Å; I794-R798 WeakPolarHBondContact O-CB 3.47Å; I794-R798 WeakPolarHBondContact O-CG 3.29Å; I794-R798 PolarHBondContact O-N 3.37Å |
| 795 | A | 91.1 | Very high | 90.5 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -53.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N791 S792 H797 R798 E799 | N791-A795 PolarHBondContact O-N 2.95Å; S792-A795 PolarHBondContact O-N 3.07Å; A795-H797 VanDerWaalsContact C-N 3.3Å; A795-H797 PolarHBondContact O-N 3.32Å; A795-R798 PolarHBondContact O-N 3.49Å; A795-R798 VanDerWaalsContact O-N 3.11Å; A795-E799 PolarHBondContact O-N 3.4Å |
| 796 | I | 88.6 | Confident | 90.2 | Very high | 100 Ų | 100 | 69.6 Ų | 69.6 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 179 | -66 | 164.9 | 0 | 0 | 0 | 111 | S792 E799 M800 | S792-I796 VanDerWaalsContact O-CG1 3.31Å; S792-I796 WeakPolarHBondContact O-CG1 3.48Å; S792-I796 PolarHBondContact O-N 2.92Å; I796-E799 PolarHBondContact O-N 3.31Å; I796-M800 WeakPolarHBondContact O-CB 3.35Å; I796-M800 PolarHBondContact O-N 3.07Å |
| 797 | H | 88 | Confident | 89.7 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.8 | -176.4 | -99.7 | 0 | 0 | 0 | 112.7 | C740 S793 I794 A795 W801 | C740-H797 HydrophobicContact CB-CB 3.64Å; C740-H797 VanDerWaalsContact CB-CD2 3.49Å; C740-H797 WeakPolarHBondContact CB-CD2 3.24Å; C740-H797 VanDerWaalsContact CB-CG 3.45Å; C740-H797 VanDerWaalsContact SG-CB 3.52Å; S793-H797 WeakPolarHBondContact O-CB 3.49Å; S793-H797 PolarHBondContact O-N 2.65Å; I794-H797 PolarHBondContact O-N 3.05Å; A795-H797 VanDerWaalsContact C-N 3.3Å; A795-H797 PolarHBondContact O-N 3.32Å; H797-W801 WeakPolarHBondContact O-CB 3.23Å; H797-W801 PolarHBondContact O-N 3.25Å |
| 798 | R | 89.1 | Confident | 89.2 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 42% | 0.415 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.5 | -78.2 | 174.8 | 171.7 | 169.4 | -2.6 | 112 | I794 A795 A802 | I794-R798 HydrophobicContact CG2-CG 4.47Å; I794-R798 WeakPolarHBondContact O-CB 3.47Å; I794-R798 WeakPolarHBondContact O-CG 3.29Å; I794-R798 PolarHBondContact O-N 3.37Å; A795-R798 PolarHBondContact O-N 3.49Å; A795-R798 VanDerWaalsContact O-N 3.11Å; R798-A802 WeakPolarHBondContact O-CB 3.49Å; R798-A802 PolarHBondContact O-N 3.34Å |
| 799 | E | 87.8 | Confident | 88.7 | Confident | 140 Ų | 140 | 74.2 Ų | 74.2 | 65% | 0.654 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.6 | -48.8 | 176.4 | -70.5 | 178.3 | 176.6 | 0 | 0 | 111.8 | A795 I796 W801 A802 F803 | A795-E799 PolarHBondContact O-N 3.4Å; I796-E799 PolarHBondContact O-N 3.31Å; E799-W801 VanDerWaalsContact C-N 3.34Å; E799-W801 PolarHBondContact O-N 3.12Å; E799-A802 PolarHBondContact O-N 2.87Å; E799-F803 WeakPolarHBondContact O-CB 3.39Å; E799-F803 PolarHBondContact O-N 2.99Å |
| 800 | M | 85.2 | Confident | 88.1 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 51% | 0.507 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 178.6 | -170.9 | -178.2 | 71.7 | 0 | 0 | 112.1 | I796 F803 N804 | I796-M800 WeakPolarHBondContact O-CB 3.35Å; I796-M800 PolarHBondContact O-N 3.07Å; M800-F803 PolarHBondContact O-N 3.32Å; M800-N804 WeakPolarHBondContact O-CB 3.25Å; M800-N804 VanDerWaalsContact O-CG 3.31Å; M800-N804 PolarHBondContact O-N 2.9Å |
| 801 | W | 85.4 | Confident | 87.4 | Confident | 115 Ų | 115 | 76.2 Ų | 76.2 | 44% | 0.436 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 174.9 | -175.6 | 93.7 | 0 | 0 | 0 | 111.4 | F536 H797 E799 F803 N804 V805 | F536-W801 HydrophobicContact CD1-CZ3 4.31Å; F536-W801 HydrophobicContact CD2-CH2 4.41Å; F536-W801 HydrophobicContact CD2-CZ3 4.07Å; F536-W801 AromaticContact CE1-CE3 3.97Å; F536-W801 HydrophobicContact CE1-CE3 3.97Å; F536-W801 AromaticContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE2-CE3 4.36Å; F536-W801 AromaticContact CE2-CH2 3.58Å; F536-W801 HydrophobicContact CE2-CH2 3.58Å; F536-W801 AromaticContact CE2-CZ3 3.34Å; F536-W801 HydrophobicContact CE2-CZ3 3.34Å; F536-W801 AromaticContact CZ-CE3 3.69Å; F536-W801 HydrophobicContact CZ-CE3 3.69Å; F536-W801 AromaticContact CZ-CH2 3.72Å; F536-W801 HydrophobicContact CZ-CH2 3.72Å; F536-W801 AromaticContact CZ-CZ3 3.08Å; F536-W801 HydrophobicContact CZ-CZ3 3.08Å; H797-W801 WeakPolarHBondContact O-CB 3.23Å; H797-W801 PolarHBondContact O-N 3.25Å; E799-W801 VanDerWaalsContact C-N 3.34Å; E799-W801 PolarHBondContact O-N 3.12Å; W801-F803 VanDerWaalsContact C-N 3.3Å; W801-F803 PolarHBondContact O-N 2.89Å; W801-N804 PolarHBondContact O-N 2.94Å; W801-V805 HydrophobicContact CD2-CG2 3.91Å; W801-V805 HydrophobicContact CE3-CG2 3.95Å; W801-V805 HydrophobicContact CH2-CG2 3.86Å; W801-V805 HydrophobicContact CZ2-CG2 3.82Å; W801-V805 HydrophobicContact CZ3-CG2 3.9Å; W801-V805 WeakPolarHBondContact O-CG2 3.48Å; W801-V805 PolarHBondContact O-N 3.49Å |
| 802 | A | 84.8 | Confident | 86.9 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R798 E799 R806 | R798-A802 WeakPolarHBondContact O-CB 3.49Å; R798-A802 PolarHBondContact O-N 3.34Å; E799-A802 PolarHBondContact O-N 2.87Å; A802-R806 WeakPolarHBondContact O-CD 3.25Å; A802-R806 VanDerWaalsContact O-CG 3.26Å; A802-R806 WeakPolarHBondContact O-CG 3.32Å; A802-R806 PolarHBondContact O-N 2.81Å; A802-R806 VanDerWaalsContact O-N 3.12Å |
| 803 | F | 86.7 | Confident | 86.1 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 172.7 | -178.5 | -96.6 | 0 | 0 | 0 | 112 | E799 M800 W801 V805 R806 L807 | E799-F803 WeakPolarHBondContact O-CB 3.39Å; E799-F803 PolarHBondContact O-N 2.99Å; M800-F803 PolarHBondContact O-N 3.32Å; W801-F803 VanDerWaalsContact C-N 3.3Å; W801-F803 PolarHBondContact O-N 2.89Å; F803-V805 PolarHBondContact O-N 3.48Å; F803-R806 PolarHBondContact O-N 2.86Å; F803-L807 HydrophobicContact CE1-CD1 3.82Å; F803-L807 HydrophobicContact CZ-CD1 4.14Å; F803-L807 WeakPolarHBondContact O-CB 3.46Å; F803-L807 PolarHBondContact O-N 2.93Å |
| 804 | N | 86.5 | Confident | 85.5 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 40% | 0.401 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 179.5 | -75.2 | -11.4 | 0 | 0 | 0 | 112.6 | M800 W801 L807 A808 | M800-N804 WeakPolarHBondContact O-CB 3.25Å; M800-N804 VanDerWaalsContact O-CG 3.31Å; M800-N804 PolarHBondContact O-N 2.9Å; W801-N804 PolarHBondContact O-N 2.94Å; N804-L807 PolarHBondContact O-N 3.36Å; N804-A808 WeakPolarHBondContact O-CB 3.32Å; N804-A808 PolarHBondContact O-N 3.35Å |
| 805 | V | 88.2 | Confident | 84.6 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | W801 F803 A808 S809 | W801-V805 HydrophobicContact CD2-CG2 3.91Å; W801-V805 HydrophobicContact CE3-CG2 3.95Å; W801-V805 HydrophobicContact CH2-CG2 3.86Å; W801-V805 HydrophobicContact CZ2-CG2 3.82Å; W801-V805 HydrophobicContact CZ3-CG2 3.9Å; W801-V805 WeakPolarHBondContact O-CG2 3.48Å; W801-V805 PolarHBondContact O-N 3.49Å; F803-V805 PolarHBondContact O-N 3.48Å; V805-A808 PolarHBondContact O-N 2.94Å; V805-S809 WeakPolarHBondContact O-CB 3.35Å; V805-S809 PolarHBondContact O-N 2.97Å |
| 806 | R | 89.2 | Confident | 83.7 | Confident | 186 Ų | 186 | 86.9 Ų | 86.9 | 70% | 0.702 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 175.1 | -72.8 | 169.1 | -178.6 | 168.6 | 1.6 | 111.7 | A802 F803 S809 A810 | A802-R806 WeakPolarHBondContact O-CD 3.25Å; A802-R806 VanDerWaalsContact O-CG 3.26Å; A802-R806 WeakPolarHBondContact O-CG 3.32Å; A802-R806 PolarHBondContact O-N 2.81Å; A802-R806 VanDerWaalsContact O-N 3.12Å; F803-R806 PolarHBondContact O-N 2.86Å; R806-S809 PolarHBondContact O-N 2.98Å; R806-A810 WeakPolarHBondContact O-CB 3.15Å; R806-A810 PolarHBondContact O-N 3.44Å |
| 807 | L | 85.7 | Confident | 82.1 | Confident | 98 Ų | 98 | 88.1 Ų | 88.1 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 178.5 | -168.1 | 154.8 | 0 | 0 | 0 | 111.5 | F803 N804 A810 A811 | F803-L807 HydrophobicContact CE1-CD1 3.82Å; F803-L807 HydrophobicContact CZ-CD1 4.14Å; F803-L807 WeakPolarHBondContact O-CB 3.46Å; F803-L807 PolarHBondContact O-N 2.93Å; N804-L807 PolarHBondContact O-N 3.36Å; L807-A810 PolarHBondContact O-N 3.17Å; L807-A811 WeakPolarHBondContact O-CB 3.1Å; L807-A811 PolarHBondContact O-N 3.01Å |
| 808 | A | 83.6 | Confident | 80.2 | Confident | 53 Ų | 53 | 90.8 Ų | 90.8 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N804 V805 T812 | N804-A808 WeakPolarHBondContact O-CB 3.32Å; N804-A808 PolarHBondContact O-N 3.35Å; V805-A808 PolarHBondContact O-N 2.94Å; A808-T812 WeakPolarHBondContact O-CB 3.28Å; A808-T812 PolarHBondContact O-N 2.75Å; A808-T812 PolarHBondContact O-OG1 3.24Å |
| 809 | S | 85 | Confident | 78.4 | Confident | 77 Ų | 77 | 88.7 Ų | 88.7 | 54% | 0.538 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | V805 R806 T812 A813 | V805-S809 WeakPolarHBondContact O-CB 3.35Å; V805-S809 PolarHBondContact O-N 2.97Å; R806-S809 PolarHBondContact O-N 2.98Å; S809-T812 PolarHBondContact O-N 3.3Å; S809-A813 WeakPolarHBondContact O-CB 3.43Å; S809-A813 PolarHBondContact O-N 2.82Å |
| 810 | A | 82.4 | Confident | 76.3 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R806 L807 T812 A813 L814 | R806-A810 WeakPolarHBondContact O-CB 3.15Å; R806-A810 PolarHBondContact O-N 3.44Å; L807-A810 PolarHBondContact O-N 3.17Å; A810-T812 VanDerWaalsContact C-N 3.34Å; A810-T812 PolarHBondContact O-N 3.03Å; A810-A813 PolarHBondContact O-N 3.46Å; A810-L814 WeakPolarHBondContact O-CG 3.23Å; A810-L814 PolarHBondContact O-N 3.09Å |
| 811 | A | 80 | Confident | 74.4 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L807 L814 M815 | L807-A811 WeakPolarHBondContact O-CB 3.1Å; L807-A811 PolarHBondContact O-N 3.01Å; A811-L814 PolarHBondContact O-N 3.32Å; A811-M815 WeakPolarHBondContact O-CG 3.02Å; A811-M815 PolarHBondContact O-N 3.36Å |
| 812 | T | 82.2 | Confident | 72.4 | Confident | 73 Ų | 73 | 89.2 Ų | 89.2 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | A808 S809 A810 L814 M815 T816 | A808-T812 WeakPolarHBondContact O-CB 3.28Å; A808-T812 PolarHBondContact O-N 2.75Å; A808-T812 PolarHBondContact O-OG1 3.24Å; S809-T812 PolarHBondContact O-N 3.3Å; A810-T812 VanDerWaalsContact C-N 3.34Å; A810-T812 PolarHBondContact O-N 3.03Å; T812-L814 VanDerWaalsContact C-N 3.33Å; T812-L814 PolarHBondContact O-N 3.4Å; T812-M815 PolarHBondContact O-N 3.13Å; T812-T816 PolarHBondContact O-N 3.08Å; T812-T816 PolarHBondContact O-OG1 2.86Å |
| 813 | A | 76.8 | Confident | 70.3 | Confident | 42 Ų | 42 | 95.2 Ų | 95.2 | 35% | 0.347 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S809 A810 T816 K817 | S809-A813 WeakPolarHBondContact O-CB 3.43Å; S809-A813 PolarHBondContact O-N 2.82Å; A810-A813 PolarHBondContact O-N 3.46Å; A813-T816 WeakPolarHBondContact CA-OG1 3.34Å; A813-T816 PolarHBondContact O-OG1 3.15Å; A813-T816 VanDerWaalsContact O-OG1 3.07Å; A813-K817 WeakPolarHBondContact O-CB 3.48Å; A813-K817 VanDerWaalsContact O-CG 3.28Å; A813-K817 WeakPolarHBondContact O-CG 3.49Å; A813-K817 PolarHBondContact O-N 3.22Å; A813-K817 VanDerWaalsContact O-N 3.11Å |
| 814 | L | 77.2 | Confident | 67.9 | Low | 116 Ų | 116 | 93.9 Ų | 93.9 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.4 | -45.3 | 174.1 | -72.9 | 168.7 | 0 | 0 | 0 | 111.9 | A810 A811 T812 T816 K817 N818 | A810-L814 WeakPolarHBondContact O-CG 3.23Å; A810-L814 PolarHBondContact O-N 3.09Å; A811-L814 PolarHBondContact O-N 3.32Å; T812-L814 VanDerWaalsContact C-N 3.33Å; T812-L814 PolarHBondContact O-N 3.4Å; L814-T816 PolarHBondContact O-N 3.2Å; L814-K817 PolarHBondContact O-N 3.21Å; L814-N818 PolarHBondContact O-N 2.94Å |
| 815 | M | 72.4 | Confident | 65.4 | Low | 119 Ų | 119 | 95.5 Ų | 95.5 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 177.3 | -71.7 | 178.8 | -175.8 | 0 | 0 | 112 | M1 A811 T812 S819 | M1-M815 HydrophobicContact CE-SD 4.33Å; A811-M815 WeakPolarHBondContact O-CG 3.02Å; A811-M815 PolarHBondContact O-N 3.36Å; T812-M815 PolarHBondContact O-N 3.13Å; M815-S819 PolarHBondContact O-N 2.85Å |
| 816 | T | 72.7 | Confident | 62.7 | Low | 66 Ų | 66 | 97.1 Ų | 97.1 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.4 | -39.6 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | T812 A813 L814 S819 L820 | T812-T816 PolarHBondContact O-N 3.08Å; T812-T816 PolarHBondContact O-OG1 2.86Å; A813-T816 WeakPolarHBondContact CA-OG1 3.34Å; A813-T816 PolarHBondContact O-OG1 3.15Å; A813-T816 VanDerWaalsContact O-OG1 3.07Å; L814-T816 PolarHBondContact O-N 3.2Å; T816-S819 PolarHBondContact O-N 3Å; T816-S819 PolarHBondContact O-OG 3.22Å; T816-L820 PolarHBondContact O-N 2.78Å |
| 817 | K | 55.7 | Low | 60.1 | Low | 125 Ų | 125 | 96.8 Ų | 96.8 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.2 | -39.7 | 178.3 | -78.9 | 177.2 | 178 | -177.7 | 0 | 112.7 | A813 L814 S819 L820 | A813-K817 WeakPolarHBondContact O-CB 3.48Å; A813-K817 VanDerWaalsContact O-CG 3.28Å; A813-K817 WeakPolarHBondContact O-CG 3.49Å; A813-K817 PolarHBondContact O-N 3.22Å; A813-K817 VanDerWaalsContact O-N 3.11Å; L814-K817 PolarHBondContact O-N 3.21Å; K817-S819 VanDerWaalsContact C-N 3.3Å; K817-S819 PolarHBondContact O-N 2.93Å; K817-L820 PolarHBondContact O-N 2.66Å |
| 818 | N | 48.4 | Very low | 57.6 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -31.9 | 174.7 | -85.7 | 4.9 | 0 | 0 | 0 | 112.9 | L814 L820 | L814-N818 PolarHBondContact O-N 2.94Å; N818-L820 VanDerWaalsContact C-N 3.34Å; N818-L820 PolarHBondContact O-N 3.21Å |
| 819 | S | 51 | Low | 55.2 | Low | 65 Ų | 65 | 102.8 Ų | 102.8 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.7 | -29.1 | 176.9 | 73.1 | 0 | 0 | 0 | 0 | 114 | M815 T816 K817 | M815-S819 PolarHBondContact O-N 2.85Å; T816-S819 PolarHBondContact O-N 3Å; T816-S819 PolarHBondContact O-OG 3.22Å; K817-S819 VanDerWaalsContact C-N 3.3Å; K817-S819 PolarHBondContact O-N 2.93Å |
| 820 | L | 43.4 | Very low | 52.6 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.1 | -26 | 180 | -74.6 | 159.4 | 0 | 0 | 0 | 113.1 | T816 K817 N818 S824 | T816-L820 PolarHBondContact O-N 2.78Å; K817-L820 PolarHBondContact O-N 2.66Å; N818-L820 VanDerWaalsContact C-N 3.34Å; N818-L820 PolarHBondContact O-N 3.21Å; L820-S824 PolarHBondContact O-OG 3.45Å |
| 821 | I | 44.9 | Very low | 50.2 | Low | 120 Ų | 120 | 112 Ų | 112 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.7 | -28.4 | 178.4 | -65 | 171.1 | 0 | 0 | 0 | 111.4 | ||
| 822 | I | 44.2 | Very low | 48.2 | Very low | 130 Ų | 130 | 116 Ų | 116 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -81.6 | -27.9 | -173.6 | -65 | 171 | 0 | 0 | 0 | 112.8 | ||
| 823 | N | 39.3 | Very low | 45.9 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 78% | 0.781 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 7.9 | -174.9 | -73 | -9.3 | 0 | 0 | 0 | 115.2 | ||
| 824 | S | 38.1 | Very low | 44 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -104.2 | -1.4 | -174.3 | -57.4 | 0 | 0 | 0 | 0 | 114.5 | L820 S826 | L820-S824 PolarHBondContact O-OG 3.45Å; S824-S826 PolarHBondContact O-N 2.94Å | ||
| 825 | S | 33.6 | Very low | 41.8 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | trans | -101.2 | 75.8 | -173.6 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 826 | S | 31.1 | Very low | 39.8 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | trans | -158.3 | 125.5 | 161.3 | -140.9 | 0 | 0 | 0 | 0 | 115 | S824 | S824-S826 PolarHBondContact O-N 2.94Š| ||
| 827 | K | 34.2 | Very low | 38 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | trans | 91.9 | 120 | 156 | -57 | -172.4 | -179.5 | -178.1 | 0 | 120.7 | ||||
| 828 | H | 34.4 | Very low | 36.7 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | 65.7 | 141.6 | 155.7 | -64.8 | -66 | 0 | 0 | 0 | 119.2 | ||||
| 829 | S | 31.8 | Very low | 35.8 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | cis | -157.8 | 169.6 | -14.9 | 54 | 0 | 0 | 0 | 0 | 110.2 | N831 | S829-N831 PolarHBondContact O-N 3.47Š| ||
| 830 | E | 30.2 | Very low | 34.9 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -54.2 | 131 | 175.7 | -64.4 | 142.1 | 116.9 | 0 | 0 | 113 | ||||
| 831 | N | 31.7 | Very low | 34.2 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | -172 | 152.3 | 106.7 | -98.7 | -11.4 | 0 | 0 | 0 | 113.2 | S829 | S829-N831 PolarHBondContact O-N 3.47Š| |||
| 832 | D | 38.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | trans | 58.9 | 93.3 | 157.4 | -64.7 | -50.7 | 0 | 0 | 0 | 121 | N834 | D832-N834 PolarHBondContact O-N 2.96Š| ||
| 833 | N | 33.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 55.7 | 63.6 | 112.2 | -63.8 | -47.7 | 0 | 0 | 0 | 117.4 | |||||
| 834 | N | 37 | Very low | 32.5 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -148 | 143.5 | 143.4 | -108.5 | -44.2 | 0 | 0 | 0 | 115 | D832 I836 | D832-N834 PolarHBondContact O-N 2.96Å; N834-I836 PolarHBondContact O-N 2.95Å; N834-I836 VanDerWaalsContact O-N 3.07Å | ||
| 835 | K | 31.6 | Very low | 32 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -85 | 78.7 | -159.2 | -165.8 | 178.7 | -175 | -179.1 | 0 | 112.2 | Y837 | K835-Y837 HydrophobicContact CD-CE2 4.08Å; K835-Y837 HydrophobicContact CG-CD2 4.44Å; K835-Y837 HydrophobicContact CG-CE2 4.1Å; K835-Y837 PolarHBondContact O-N 3.08Å | ||
| 836 | I | 29.8 | Very low | 31.9 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -76.5 | 105.7 | 176.2 | -58.5 | 178.9 | 0 | 0 | 0 | 109.9 | N834 L838 | N834-I836 PolarHBondContact O-N 2.95Å; N834-I836 VanDerWaalsContact O-N 3.07Å; I836-L838 PolarHBondContact O-N 2.88Å | ||
| 837 | Y | 35.2 | Very low | 32 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 111.4 | 169.2 | -85 | -98.1 | 0 | 0 | 0 | 110.3 | K835 S839 | K835-Y837 HydrophobicContact CD-CE2 4.08Å; K835-Y837 HydrophobicContact CG-CD2 4.44Å; K835-Y837 HydrophobicContact CG-CE2 4.1Å; K835-Y837 PolarHBondContact O-N 3.08Å; Y837-S839 PolarHBondContact O-N 3.11Å; Y837-S839 VanDerWaalsContact O-N 3.15Å | ||
| 838 | L | 28.4 | Very low | 31.8 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | -62.8 | 112.5 | 156.5 | -90.2 | 73.2 | 0 | 0 | 0 | 108 | I836 | I836-L838 PolarHBondContact O-N 2.88Š| ||
| 839 | S | 29.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -111.3 | 139.4 | 161.1 | 53 | 0 | 0 | 0 | 0 | 108.6 | Y837 | Y837-S839 PolarHBondContact O-N 3.11Å; Y837-S839 VanDerWaalsContact O-N 3.15Å | ||
| 840 | P | 33.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -67 | 149.1 | -174 | -18.6 | 31.5 | 0 | 0 | 0 | 112 | K842 | P840-K842 VanDerWaalsContact C-N 3.26Å; P840-K842 PolarHBondContact O-N 3.22Å | ||
| 841 | L | 28.6 | Very low | 31.6 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 76% | 0.76 | S | S | * | * | trans | -59.4 | 76.6 | 175.8 | -82.6 | 151 | 0 | 0 | 0 | 113.4 | N843 | L841-N843 PolarHBondContact O-N 3.42Š| ||
| 842 | K | 30.1 | Very low | 31.4 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -85 | 86.6 | 153.9 | -73.7 | -176.4 | 175.8 | -177.2 | 0 | 108 | P840 | P840-K842 VanDerWaalsContact C-N 3.26Å; P840-K842 PolarHBondContact O-N 3.22Å | ||
| 843 | N | 29.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 176.5 | 63.2 | 156.2 | -91.4 | -14.6 | 0 | 0 | 0 | 111.9 | L841 | L841-N843 PolarHBondContact O-N 3.42Š| ||
| 844 | T | 32 | Very low | 30.7 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -150.4 | 43.6 | 160.4 | -36.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 845 | F | 27.5 | Very low | 30.2 | Very low | 210 Ų | 210 | 147 Ų | 147 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -142.3 | 97.9 | 166.3 | -102.9 | -87.1 | 0 | 0 | 0 | 107.7 | ||||
| 846 | G | 31.4 | Very low | 30.1 | Very low | 70 Ų | 70 | 145.9 Ų | 145.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -126.7 | 115.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 847 | H | 32.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 53.9 | 89.7 | 174.1 | -84.1 | -91.5 | 0 | 0 | 0 | 117.7 | D849 | H847-D849 IonicContact CE1-OD1 3.11Å; H847-D849 PolarHBondContact CE1-OD1 3.2Å; H847-D849 IonicContact CE1-OD2 3.61Å; H847-D849 IonicContact CG-OD2 3.83Å; H847-D849 IonicContact ND1-OD1 2.98Å; H847-D849 PolarHBondContact ND1-OD1 3.11Å; H847-D849 IonicContact ND1-OD2 2.77Å; H847-D849 PolarHBondContact ND1-OD2 3.24Å | ||
| 848 | I | 31.2 | Very low | 30 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -114.7 | 108.8 | 133 | -60.5 | 175.2 | 0 | 0 | 0 | 105.2 | Y850 | I848-Y850 HydrophobicContact CG2-CD2 3.85Å; I848-Y850 HydrophobicContact CG2-CE2 3.85Å; I848-Y850 PolarHBondContact O-N 3.27Å; I848-Y850 VanDerWaalsContact O-N 3.12Å | ||
| 849 | D | 32.4 | Very low | 30 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | -72.9 | 102 | -179.7 | -69.2 | -68.5 | 0 | 0 | 0 | 111.2 | H847 | H847-D849 IonicContact CE1-OD1 3.11Å; H847-D849 PolarHBondContact CE1-OD1 3.2Å; H847-D849 IonicContact CE1-OD2 3.61Å; H847-D849 IonicContact CG-OD2 3.83Å; H847-D849 IonicContact ND1-OD1 2.98Å; H847-D849 PolarHBondContact ND1-OD1 3.11Å; H847-D849 IonicContact ND1-OD2 2.77Å; H847-D849 PolarHBondContact ND1-OD2 3.24Å | ||
| 850 | Y | 29 | Very low | 29.8 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -105.8 | 88.9 | 160.5 | -86.7 | -83.9 | 0 | 0 | 0 | 108.7 | I848 | I848-Y850 HydrophobicContact CG2-CD2 3.85Å; I848-Y850 HydrophobicContact CG2-CE2 3.85Å; I848-Y850 PolarHBondContact O-N 3.27Å; I848-Y850 VanDerWaalsContact O-N 3.12Å | ||
| 851 | S | 29.9 | Very low | 29.4 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -158.1 | 64.5 | 173.5 | 50 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 852 | L | 27.1 | Very low | 29.2 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -98.6 | 142 | 141.7 | -85.6 | 165.2 | 0 | 0 | 0 | 107.3 | ||||
| 853 | F | 28.3 | Very low | 28.9 | Very low | 188 Ų | 188 | 138 Ų | 138 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 69.1 | 118.5 | -165.5 | -58.9 | -90.7 | 0 | 0 | 0 | 112.9 | ||||
| 854 | Q | 30.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -157.4 | 152.1 | 34.3 | -160.7 | 85.3 | 8.8 | 0 | 0 | 110.3 | ||||
| 855 | S | 26.3 | Very low | 28.3 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -91.6 | 168.4 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 856 | N | 29.3 | Very low | 28.3 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | 83.4 | 138 | 169.1 | -55.1 | -18.6 | 0 | 0 | 0 | 115.8 | ||||
| 857 | I | 28.9 | Very low | 28.1 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | cis | -150.9 | 149.7 | -1.8 | -101.4 | 151.8 | 0 | 0 | 0 | 108.2 | ||||
| 858 | P | 33.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -95.1 | 149.8 | 179 | 36.8 | -33.6 | 0 | 0 | 0 | 113.5 | ||||
| 859 | I | 28.9 | Very low | 27.4 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | -137.5 | 131.4 | 161.2 | -53.3 | -176.8 | 0 | 0 | 0 | 110.3 | ||||
| 860 | N | 24.1 | Very low | 27.2 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -53.8 | 174.7 | 168.5 | -83.9 | -35.9 | 0 | 0 | 0 | 112 | ||||
| 861 | T | 26.5 | Very low | 27.1 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 63% | 0.632 | 73% | 0.731 | S | S | * | * | cis | -175.6 | 149 | 42 | -22.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 862 | T | 24.5 | Very low | 26.9 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | trans | 59.1 | 147.7 | 147 | 54.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 863 | N | 23.7 | Very low | 26.8 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | -164.8 | 167 | -0.4 | -115.5 | -10.4 | 0 | 0 | 0 | 110.2 | ||||
| 864 | T | 25.9 | Very low | 26.7 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | trans | 48.2 | 104.9 | 148.2 | 56.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 865 | S | 23.3 | Very low | 26.6 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | 79.7 | 134.6 | 70.4 | 75.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 866 | H | 25.9 | Very low | 26.7 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | trans | 91.7 | 137.2 | 155.7 | -77.2 | -73.8 | 0 | 0 | 0 | 122.8 | ||||
| 867 | V | 27.4 | Very low | 26.7 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | 66.4 | 106.5 | 153.3 | -66.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 868 | N | 23.7 | Very low | 26.6 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 44.1 | 122 | 118.3 | -70 | -3.7 | 0 | 0 | 0 | 121.1 | |||||
| 869 | S | 26.9 | Very low | 26.6 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 69.5 | 106 | 128.2 | -56.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 870 | S | 26.4 | Very low | 26.6 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | 84.1 | 136.5 | 133.4 | -53.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 871 | S | 26.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 90.7 | 116.2 | 147.7 | -51.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 872 | I | 26.9 | Very low | 27.4 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | 79.4 | 101.8 | 124 | -71.2 | 175.8 | 0 | 0 | 0 | 118.4 | |||||
| 873 | L | 25.5 | Very low | 27.8 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | 58.5 | 111.1 | 124.2 | -67.7 | 167.4 | 0 | 0 | 0 | 121 | |||||
| 874 | L | 24.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | 82.9 | 159.6 | 112.7 | -148.4 | 141.5 | 0 | 0 | 0 | 117.7 | |||||
| 875 | V | 29.7 | Very low | 28.1 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | 75.4 | 96 | -173.7 | -163.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 876 | K | 27.7 | Very low | 28.2 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | cis | 77.6 | 151.1 | 45.3 | -156.8 | -173 | 175.8 | -156.2 | 0 | 112.6 | ||||
| 877 | E | 29.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 134 Ų | 134 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | trans | 72 | 102.8 | -177.2 | -83.8 | 125.2 | -131.1 | 0 | 0 | 114.1 | ||||
| 878 | N | 27.4 | Very low | 28.2 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 82.3 | 118.6 | 74.4 | -75.2 | -13.9 | 0 | 0 | 0 | 110.6 | |||||
| 879 | L | 33.3 | Very low | 28.3 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | -165.1 | 107.1 | 104.6 | -121 | 82 | 0 | 0 | 0 | 111 | |||||
| 880 | S | 29.6 | Very low | 28.1 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | 66.6 | 157.9 | 126.5 | -78 | 0 | 0 | 0 | 0 | 122 | |||||
| 881 | P | 39.1 | Very low | 28.1 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -121 | -161.4 | -144.6 | 35.6 | -15.5 | 0 | 0 | 0 | 111.3 | ||||
| 882 | D | 28.1 | Very low | 28.1 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | -178.7 | 152.9 | 114.8 | -98.7 | -21.1 | 0 | 0 | 0 | 115.7 | |||||
| 883 | L | 32 | Very low | 27.9 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 56.6 | 107.6 | 164.9 | -83.4 | 67.9 | 0 | 0 | 0 | 118.3 | ||||
| 884 | H | 27 | Very low | 28 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | 68.3 | 117.7 | 74.6 | -85.1 | 29.6 | 0 | 0 | 0 | 113.2 | |||||
| 885 | E | 28.8 | Very low | 28.1 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | 101.4 | 159.3 | 53.9 | -177 | 171 | 155.7 | 0 | 0 | 110.3 | |||||
| 886 | Q | 25.9 | Very low | 28 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 85.4 | 128.8 | -174.2 | -57.1 | 174.2 | -4.7 | 0 | 0 | 113.8 | ||||
| 887 | T | 26.7 | Very low | 28 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 63% | 0.632 | 76% | 0.759 | S | S | * | * | cis | -154.5 | 130.7 | -3.4 | 13.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 888 | M | 25.7 | Very low | 27.9 | Very low | 150 Ų | 150 | 148 Ų | 148 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | 62.4 | 131.4 | 73.3 | -71.3 | -70.1 | 101.8 | 0 | 0 | 116.1 | |||||
| 889 | D | 26.2 | Very low | 27.9 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 66.6 | 105.3 | 156.9 | -58.1 | -38.6 | 0 | 0 | 0 | 122.3 | ||||
| 890 | C | 24.4 | Very low | 27.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | S | Bend | -165 | 94 | 104.4 | -162.8 | 0 | 0 | 0 | 0 | 113.1 | |||
| 891 | F | 25.1 | Very low | 27.6 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | S | Bend | -177.9 | 126.2 | 119.5 | -107.6 | -73.8 | 0 | 0 | 0 | 109.6 | |||
| 892 | Q | 26.3 | Very low | 26.9 | Very low | 170 Ų | 170 | 151 Ų | 151 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -81.8 | 152.3 | -154.7 | -66.9 | -176.8 | -50.7 | 0 | 0 | 115.5 | ||||
| 893 | P | 24.2 | Very low | 26.9 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -72.9 | 151.6 | 153.6 | 34.7 | -33 | 0 | 0 | 0 | 110 | ||||
| 894 | I | 25.9 | Very low | 26.7 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | trans | -122.5 | 89.4 | 162.5 | -55.6 | 179.4 | 0 | 0 | 0 | 108.3 | ||||
| 895 | Y | 28.6 | Very low | 26.7 | Very low | 221 Ų | 221 | 154.1 Ų | 154.1 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -126 | 109.5 | 145.1 | -114.1 | -85.8 | 0 | 0 | 0 | 104.4 | ||||
| 896 | E | 27.8 | Very low | 26.7 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -140.9 | 147.7 | 161 | -109.6 | -166 | 169.1 | 0 | 0 | 109.3 | ||||
| 897 | D | 26.6 | Very low | 26.8 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 176.4 | -164.7 | -70.3 | -65.1 | 0 | 0 | 0 | 112.9 | ||||
| 898 | D | 27.4 | Very low | 26.9 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 74.5 | 116.8 | 143.2 | -81.3 | -5.7 | 0 | 0 | 0 | 122.3 | ||||
| 899 | N | 26.9 | Very low | 27.3 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | 102.3 | 131.7 | 126.9 | -85.2 | -46.7 | 0 | 0 | 0 | 121.1 | |||||
| 900 | Q | 27.9 | Very low | 27.4 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 68.7 | 82.1 | 155.3 | -55.9 | -88.4 | 28.3 | 0 | 0 | 117.9 | ||||
| 901 | L | 29.1 | Very low | 27.7 | Very low | 170 Ų | 170 | 161 Ų | 161 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | -159.1 | 120.7 | 120.7 | -108.6 | 153.3 | 0 | 0 | 0 | 112.3 | |||||
| 902 | S | 25.2 | Very low | 28.1 | Very low | 99 Ų | 99 | 157.5 Ų | 157.5 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 134.4 | 176.3 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 903 | L | 28.3 | Very low | 28.5 | Very low | 163 Ų | 163 | 161.1 Ų | 161.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | -173.8 | 144.2 | 118.3 | -97.8 | 157.7 | 0 | 0 | 0 | 112.2 | |||||
| 904 | K | 26.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 165.6 Ų | 165.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -54.6 | 141.8 | 173 | -59.2 | 159.7 | 178.5 | 171.2 | 0 | 110 | ||||
| 905 | F | 27.9 | Very low | 29.2 | Very low | 176 Ų | 176 | 163.3 Ų | 163.3 | 77% | 0.772 | 80% | 0.798 | S | S | * | * | 175.1 | 127.7 | 101.3 | -102.6 | -81.2 | 0 | 0 | 0 | 113.7 | |||||
| 906 | K | 28.3 | Very low | 29.4 | Very low | 187 Ų | 187 | 162.4 Ų | 162.4 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 18.5 | 136.3 | 147.8 | -70.5 | -178.9 | 172.2 | 179.9 | 0 | 121.4 | ||||
| 907 | S | 28.4 | Very low | 29.8 | Very low | 103 Ų | 103 | 160.9 Ų | 160.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 91.2 | 130.2 | 136.4 | -159.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 908 | S | 28.4 | Very low | 30.3 | Very low | 95 Ų | 95 | 159.7 Ų | 159.7 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | 52.1 | 105.5 | 149.1 | -53.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 909 | H | 32.9 | Very low | 30.5 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | -168.6 | 150.8 | 94.9 | -108.6 | -87.3 | 0 | 0 | 0 | 113.7 | |||||
| 910 | R | 28.5 | Very low | 30.8 | Very low | 226 Ų | 226 | 162.3 Ų | 162.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -90.3 | 117.2 | -170.7 | 178 | -167.5 | -163.6 | -179.5 | 8 | 111.2 | ||||
| 911 | L | 31.7 | Very low | 30.9 | Very low | 165 Ų | 165 | 162 Ų | 162 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -147.3 | 72.3 | 173.7 | -108.9 | 156.8 | 0 | 0 | 0 | 113 | R913 | L911-R913 PolarHBondContact O-N 3.48Š| ||
| 912 | T | 34 | Very low | 31 | Very low | 125 Ų | 125 | 161.5 Ų | 161.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 108.5 | 172 | -33.9 | 0 | 0 | 0 | 0 | 110 | R914 | T912-R914 PolarHBondContact O-N 2.94Š| ||
| 913 | R | 34.3 | Very low | 31.4 | Very low | 246 Ų | 246 | 165 Ų | 165 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 89.1 | -179.2 | -136.1 | -177.9 | -171.5 | -165.8 | 3.9 | 110.6 | L911 S915 | L911-R913 PolarHBondContact O-N 3.48Å; R913-S915 PolarHBondContact O-N 2.59Å | ||
| 914 | R | 29.9 | Very low | 31.6 | Very low | 212 Ų | 212 | 165.1 Ų | 165.1 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -71.1 | 104.7 | 173.2 | -91.4 | -179.9 | 161.5 | 175.6 | -7 | 110.9 | T912 R916 | T912-R914 PolarHBondContact O-N 2.94Å; R914-R916 PolarHBondContact O-N 2.94Å | ||
| 915 | S | 35.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 164.7 Ų | 164.7 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 100.4 | 153.4 | 40.7 | 0 | 0 | 0 | 0 | 108.5 | R913 I917 | R913-S915 PolarHBondContact O-N 2.59Å; S915-I917 PolarHBondContact O-N 3.33Å; S915-I917 VanDerWaalsContact O-N 3.11Å | ||
| 916 | R | 32.3 | Very low | 32.1 | Very low | 201 Ų | 201 | 163.9 Ų | 163.9 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 94.5 | 174 | -63.6 | -174.5 | -162.7 | 178.3 | 5.1 | 109.3 | R914 I918 | R914-R916 PolarHBondContact O-N 2.94Å; R916-I918 HydrophobicContact CB-CG1 4.23Å; R916-I918 PolarHBondContact O-N 3.17Å | ||
| 917 | I | 36.1 | Very low | 32.4 | Very low | 158 Ų | 158 | 162.3 Ų | 162.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 105.7 | 152.3 | -61.1 | 176.2 | 0 | 0 | 0 | 105.4 | S915 P919 | S915-I917 PolarHBondContact O-N 3.33Å; S915-I917 VanDerWaalsContact O-N 3.11Å; I917-P919 WeakPolarHBondContact O-CD 3.32Å | ||
| 918 | I | 36.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 166.8 Ų | 166.8 | 57% | 0.569 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 119 | 177.2 | -60.1 | 172.9 | 0 | 0 | 0 | 106.6 | R916 Y920 | R916-I918 HydrophobicContact CB-CG1 4.23Å; R916-I918 PolarHBondContact O-N 3.17Å; I918-Y920 PolarHBondContact O-N 3.21Å | ||
| 919 | P | 32.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 172.8 Ų | 172.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 127.7 | 166.9 | 29.6 | -31.8 | 0 | 0 | 0 | 107.8 | I917 | I917-P919 WeakPolarHBondContact O-CD 3.32Š| ||
| 920 | Y | 32.2 | Very low | 33.1 | Very low | 208 Ų | 208 | 171.2 Ų | 171.2 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -87.9 | 0 | -179.3 | -122.3 | -100.7 | 0 | 0 | 0 | 111.4 | R744 I918 | R744-Y920 HydrophobicContact CG-CE1 4.49Å; R744-Y920 VanDerWaalsContact NH1-CD1 3.34Å; R744-Y920 PolarHBondContact NH2-OXT 2.81Å; I918-Y920 PolarHBondContact O-N 3.21Å |
Retrieved 920 of 920 residues in 977.1 ms
(Link to these results)