| 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 | 37.5 | Very low | 38.2 | Very low | 225 Ų | 225 | 138.7 Ų | 138.7 | 100% | 1.108 | 79% | 0.787 | S | S | * | * | 0 | 92.6 | 0 | -64.5 | 173.1 | 93.7 | 0 | 0 | 105.7 | |||||
| 2 | T | 35.9 | Very low | 38.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 77.5 | 126.2 | 85.6 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 3 | S | 36 | Very low | 38.2 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -167.2 | 153.3 | -3.1 | -80.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | S | 38.3 | Very low | 38.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | 66.5 | 162.6 | 150.8 | -57.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 5 | S | 40.5 | Very low | 38.4 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | cis | -151.2 | 140 | 2 | -124.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | V | 40 | Very low | 38.8 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | 65.4 | 128 | 95.9 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 7 | I | 38.9 | Very low | 38.6 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | cis | -153.7 | 136.4 | 48.4 | -137.1 | 147.6 | 0 | 0 | 0 | 109.9 | ||||
| 8 | C | 36 | Very low | 38.4 | Very low | 105 Ų | 105 | 134 Ų | 134 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | 52 | 146.6 | 99.8 | -44.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 9 | K | 40.8 | Very low | 38.3 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | cis | -147.5 | 167.6 | 30.4 | -71.3 | 178.6 | 175.8 | 179.3 | 0 | 114.5 | ||||
| 10 | S | 37.9 | Very low | 38.3 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -95.5 | 178.8 | 177.7 | -8 | 0 | 0 | 0 | 0 | 114 | ||||
| 11 | F | 38.7 | Very low | 38.4 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | -170.6 | 116.3 | 129.6 | -106.4 | -89.5 | 0 | 0 | 0 | 106.4 | |||||
| 12 | N | 37.9 | Very low | 38.6 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 58 | 143.7 | 91.5 | -89.9 | 45.8 | 0 | 0 | 0 | 114 | |||||
| 13 | S | 37.8 | Very low | 38.6 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | cis | 175.3 | -178.3 | -7.5 | 51.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 14 | D | 39.4 | Very low | 38.8 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | cis | -165.1 | 156.9 | 23.5 | -108.4 | -48.9 | 0 | 0 | 0 | 112.6 | ||||
| 15 | I | 39.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | 77.3 | 146.7 | 141.9 | -71.2 | 166.8 | 0 | 0 | 0 | 123.1 | ||||
| 16 | P | 44.9 | Very low | 38.4 | Very low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | trans | -137.8 | -146.5 | -162.9 | 42.1 | -18.1 | 0 | 0 | 0 | 115.5 | ||||
| 17 | Y | 35.5 | Very low | 38.2 | Very low | 216 Ų | 216 | 133.3 Ų | 133.3 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | 80.9 | 154.5 | 174.5 | -62.6 | -72.7 | 0 | 0 | 0 | 116.6 | ||||
| 18 | S | 36.2 | Very low | 38.3 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | cis | -157.2 | 175.4 | 3.5 | -137.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 19 | E | 36.8 | Very low | 38.9 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 71 | 121.6 | 152.5 | -73.9 | 170.3 | 110 | 0 | 0 | 120.7 | ||||
| 20 | L | 36.9 | Very low | 39.2 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | 72.9 | 136.9 | 78.3 | -63.7 | -168.9 | 0 | 0 | 0 | 113.2 | |||||
| 21 | T | 40.7 | Very low | 39.3 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | cis | -156.2 | 166.2 | 3.6 | 4.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | P | 42.2 | Very low | 39.3 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | -93.1 | -155.1 | 172.5 | 39.3 | -33.1 | 0 | 0 | 0 | 112.4 | ||||
| 23 | I | 36.4 | Very low | 39.3 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | 88.9 | 141.8 | 179.3 | -53.8 | 157.3 | 0 | 0 | 0 | 111.5 | ||||
| 24 | D | 38.4 | Very low | 39.4 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | cis | -131.8 | 161.4 | 11.8 | -119.6 | -26.3 | 0 | 0 | 0 | 110.6 | ||||
| 25 | L | 34.8 | Very low | 39.4 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | 47.2 | 151.5 | 94.9 | -85.1 | 60.4 | 0 | 0 | 0 | 116 | |||||
| 26 | N | 35.6 | Very low | 39.2 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 66% | 0.658 | 69% | 0.685 | S | S | * | * | cis | -166.6 | 169.5 | 28.2 | -146.4 | -8.8 | 0 | 0 | 0 | 114.7 | ||||
| 27 | T | 37.7 | Very low | 38.6 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | trans | 50.5 | 150.5 | 148.1 | 44.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 28 | T | 40 | Very low | 38.5 | Very low | 121 Ų | 121 | 118 Ų | 118 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | cis | -169.8 | 161.1 | -29.1 | 17.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 29 | P | 47.7 | Very low | 38.4 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | trans | -85.9 | -164.3 | 167.8 | 42 | -37.3 | 0 | 0 | 0 | 110.4 | ||||
| 30 | P | 47.6 | Very low | 38.3 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | -160.3 | -167.5 | 75.4 | 41.6 | -18 | 0 | 0 | 0 | 116.9 | |||||
| 31 | T | 40 | Very low | 38.2 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | trans | 67.4 | 148.6 | 149.7 | 52.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 32 | T | 39.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 113.9 Ų | 113.9 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | cis | -166.1 | 155.7 | 1 | 14 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 33 | T | 38.4 | Very low | 37.8 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | 63.2 | 138.8 | 136.7 | -60.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 34 | S | 39.1 | Very low | 37.8 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 58% | 0.58 | 69% | 0.691 | S | S | * | * | cis | -171.7 | 145.4 | -18.4 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 35 | T | 39.7 | Very low | 37.9 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 45% | 0.448 | 70% | 0.695 | S | S | . | * | trans | 49.9 | 126 | 136.5 | 63.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 36 | N | 35 | Very low | 38.3 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | 80.8 | 101.6 | 121.3 | -66.2 | -4.5 | 0 | 0 | 0 | 124.7 | |||||
| 37 | T | 31.7 | Very low | 39 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | 69.4 | 155.1 | 118.7 | -3 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 38 | I | 35.1 | Very low | 39.1 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | 91 | 89.5 | 151.1 | -70.6 | 161.7 | 0 | 0 | 0 | 119.1 | ||||
| 39 | T | 33.2 | Very low | 39.2 | Very low | 116 Ų | 116 | 114 Ų | 114 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | trans | 67.9 | 151.3 | 133.2 | 61.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 40 | S | 34.8 | Very low | 38.9 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | trans | 64.5 | 131.9 | 148.7 | 48 | 0 | 0 | 0 | 0 | 118 | ||||
| 41 | S | 35.5 | Very low | 38.6 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | cis | 171.2 | 165.8 | 13.5 | 42 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 42 | S | 38.6 | Very low | 38.6 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | 70.8 | 151.9 | 159.9 | 78.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 43 | N | 34 | Very low | 38.7 | Very low | 144 Ų | 144 | 111.1 Ų | 111.1 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | cis | -172.9 | -176.4 | -31.6 | -99.1 | -11.5 | 0 | 0 | 0 | 107.8 | ||||
| 44 | I | 37 | Very low | 38.6 | Very low | 152 Ų | 152 | 110.7 Ų | 110.7 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | 66.3 | 147.4 | 163.3 | 2.1 | 178.1 | 0 | 0 | 0 | 114 | ||||
| 45 | I | 41.3 | Very low | 38.7 | Very low | 146 Ų | 146 | 112.4 Ų | 112.4 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | cis | -142.2 | 117.9 | 16.7 | -52.8 | 172 | 0 | 0 | 0 | 110.9 | ||||
| 46 | D | 43.7 | Very low | 38.7 | Very low | 138 Ų | 138 | 113.3 Ų | 113.3 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | 30.4 | 169 | 110.3 | -76.9 | 9.9 | 0 | 0 | 0 | 122.3 | |||||
| 47 | P | 49 | Very low | 38.8 | Very low | 95 Ų | 95 | 113.3 Ų | 113.3 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | cis | -142.2 | -162.6 | -46.3 | 40.9 | -22 | 0 | 0 | 0 | 112.1 | ||||
| 48 | I | 40.3 | Very low | 39.2 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 67% | 0.672 | 67% | 0.667 | S | S | * | * | 168 | 117.4 | 127 | -86.9 | 163.8 | 0 | 0 | 0 | 113.9 | |||||
| 49 | T | 42.5 | Very low | 39.3 | Very low | 64 Ų | 64 | 111.7 Ų | 111.7 | 39% | 0.393 | 67% | 0.665 | S | S | . | * | 28.7 | 143.9 | 124.1 | -3.8 | 0 | 0 | 0 | 0 | 120.4 | L689 | T49-L689 HydrophobicContact CG2-CD1 4.34Š| |||
| 50 | T | 40.9 | Very low | 39.6 | Very low | 66 Ų | 66 | 111.8 Ų | 111.8 | 41% | 0.405 | 66% | 0.661 | S | S | . | * | cis | -159.1 | 131.8 | 32.8 | -54 | 0 | 0 | 0 | 0 | 115.8 | K692 | T50-K692 WeakPolarHBondContact O-CE 3.21Å; T50-K692 PolarHBondContact O-NZ 2.97Å | ||
| 51 | T | 41.6 | Very low | 39.7 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 48% | 0.479 | 66% | 0.657 | S | S | . | * | 17.3 | 153.8 | 130 | -10.3 | 0 | 0 | 0 | 0 | 120.7 | K692 | T51-K692 PolarHBondContact O-NZ 3.02Š| |||
| 52 | I | 40 | Very low | 39.8 | Very low | 139 Ų | 139 | 114.5 Ų | 114.5 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | -169.2 | 127.6 | 72.4 | -79.5 | -174.6 | 0 | 0 | 0 | 107.6 | |||||
| 53 | T | 40.9 | Very low | 39.8 | Very low | 104 Ų | 104 | 117 Ų | 117 | 64% | 0.638 | 66% | 0.66 | S | S | * | * | 66 | 142.4 | 96.1 | -20.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 54 | T | 37.2 | Very low | 39.9 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 69% | 0.693 | 66% | 0.659 | S | S | * | * | -158.2 | 127.1 | 51.4 | 5.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 55 | T | 40.9 | Very low | 39.8 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | 72.1 | 146.5 | 105.7 | 60.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 56 | S | 38.8 | Very low | 39.5 | Very low | 92 Ų | 92 | 112.2 Ų | 112.2 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | cis | -166.5 | 163.5 | 7.8 | 26.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 57 | T | 38.3 | Very low | 39 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | trans | 60.9 | 137.9 | 144.5 | 52 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 58 | T | 38.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | cis | -164.6 | -174.8 | -0.4 | 11.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 59 | T | 38.9 | Very low | 38 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | cis | -161.1 | 146.7 | 13.1 | -1.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 60 | N | 38.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 119 Ų | 119 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | 38.8 | 148.5 | 123.7 | -58.1 | 51 | 0 | 0 | 0 | 121.1 | |||||
| 61 | D | 36.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | cis | -171.3 | 155.6 | -3.8 | -107.9 | -13.2 | 0 | 0 | 0 | 112.4 | ||||
| 62 | L | 39.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | 57.8 | 162.1 | 145.8 | -57.5 | 166.9 | 0 | 0 | 0 | 118.8 | ||||
| 63 | E | 37.1 | Very low | 36.5 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | cis | -157.4 | 143.2 | -7.6 | -136.8 | 176.5 | 145 | 0 | 0 | 111.9 | ||||
| 64 | S | 36.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | 64.5 | 172.2 | 149.5 | 90.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 65 | S | 35.2 | Very low | 36.6 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | cis | -162.1 | 141.3 | -13.5 | -130.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 66 | I | 35.7 | Very low | 36.3 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | 68.4 | 112.1 | 127.4 | -78.1 | 177 | 0 | 0 | 0 | 122.8 | |||||
| 67 | I | 33 | Very low | 36.1 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | 86.5 | 116.8 | 124.2 | -71.7 | -173.6 | 0 | 0 | 0 | 124.1 | |||||
| 68 | H | 33.3 | Very low | 36.1 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | trans | 84.5 | 141 | 133.3 | -84.1 | -141.4 | 0 | 0 | 0 | 127.1 | ||||
| 69 | E | 34.9 | Very low | 36 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | trans | 85 | 103.4 | 133.1 | -76.3 | -177.4 | 104.9 | 0 | 0 | 126.1 | ||||
| 70 | N | 31.1 | Very low | 35.9 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | 62.3 | 116.7 | 110 | -73.8 | -17.8 | 0 | 0 | 0 | 123 | |||||
| 71 | A | 33.9 | Very low | 35.9 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | 94.9 | 152.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 72 | N | 35.3 | Very low | 36 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | 74.2 | 125.5 | 174.3 | -48.6 | -60.7 | 0 | 0 | 0 | 115.3 | ||||
| 73 | L | 33.9 | Very low | 35.9 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | cis | 60.9 | 149.4 | 45.8 | -70.4 | 173.1 | 0 | 0 | 0 | 113.9 | ||||
| 74 | P | 41.1 | Very low | 35.8 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | cis | -134.8 | -145.2 | -2.1 | 23.6 | 4 | 0 | 0 | 0 | 112.7 | ||||
| 75 | I | 38.5 | Very low | 35.8 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | trans | 94 | 140 | 149.2 | -68.7 | 165.9 | 0 | 0 | 0 | 119 | ||||
| 76 | R | 34.6 | Very low | 35.8 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | cis | -176.7 | 139.7 | -21.7 | -177.2 | 167.7 | 178.7 | -168.7 | 3 | 114.3 | ||||
| 77 | C | 33.4 | Very low | 35.8 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 68% | 0.676 | 72% | 0.718 | S | S | * | * | trans | 62.1 | 173.8 | 157.7 | -73.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 78 | K | 39.8 | Very low | 35.9 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | cis | -161.5 | 161.7 | 10.3 | -142.5 | 168.7 | 179.7 | -172.2 | 0 | 107.5 | ||||
| 79 | S | 36.8 | Very low | 36 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | cis | -160.6 | 162.6 | -32.9 | -88.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 80 | L | 37 | Very low | 35.9 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | -170.3 | 136.7 | 77 | -75.6 | 158.1 | 0 | 0 | 0 | 106.3 | |||||
| 81 | E | 37.1 | Very low | 36.1 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | 57.3 | 134 | 79.3 | -76.2 | -164.2 | 127.9 | 0 | 0 | 114.4 | K83 | E81-K83 IonicContact OE1-NZ 3.16Å; E81-K83 PolarHBondContact OE1-NZ 2.57Å | |||
| 82 | I | 38.7 | Very low | 36.1 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -140 | 129.9 | 27 | -61.9 | 175.2 | 0 | 0 | 0 | 108.3 | ||||
| 83 | K | 37.6 | Very low | 36 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | 45.5 | 148.2 | 96.8 | -68.8 | 164.8 | -173.4 | 152.2 | 0 | 115.2 | E81 | E81-K83 IonicContact OE1-NZ 3.16Å; E81-K83 PolarHBondContact OE1-NZ 2.57Å | |||
| 84 | S | 35.5 | Very low | 35.8 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -167.3 | 165.5 | 4.3 | -118.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | T | 36.5 | Very low | 35.3 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 61.5 | 150.2 | 154.7 | 52.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 86 | E | 35.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 64% | 0.64 | 74% | 0.743 | S | S | * | * | cis | -155.3 | 171.9 | -4.6 | -124.8 | -173.5 | 177.3 | 0 | 0 | 112.1 | ||||
| 87 | K | 35.6 | Very low | 34.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | 17.5 | 128.4 | 155.3 | -58 | 155.2 | -170.1 | 152.3 | 0 | 117.7 | ||||
| 88 | S | 33.3 | Very low | 34.7 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | -179.7 | 158.5 | 58.2 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 89 | S | 35.2 | Very low | 34.4 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | 42.5 | 133.3 | 158.7 | -61.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 90 | I | 33.8 | Very low | 34 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 82% | 0.821 | 73% | 0.733 | S | S | * | * | cis | -152.5 | 171.9 | 22.5 | -159.4 | 159.2 | 0 | 0 | 0 | 112.1 | ||||
| 91 | S | 35.2 | Very low | 33.8 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | -22.3 | 122.5 | -179.8 | -64.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 92 | K | 34.8 | Very low | 33.4 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | 55.8 | 110.9 | 86.6 | -63.3 | 172.6 | -179.4 | 175.6 | 0 | 112.5 | |||||
| 93 | K | 32.7 | Very low | 33 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | cis | 69.4 | 96.3 | 21.3 | -168.4 | -177.1 | 177 | -178.2 | 0 | 116.6 | ||||
| 94 | R | 29.5 | Very low | 32.7 | Very low | 217 Ų | 217 | 145 Ų | 145 | 82% | 0.819 | 74% | 0.735 | S | S | * | * | trans | 51.7 | 169.1 | 142.2 | -73.7 | -172.2 | 177.7 | 174 | 0.1 | 120.8 | ||||
| 95 | H | 31.1 | Very low | 32.4 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 72.4 | 146.8 | 177.2 | -44.9 | -86.5 | 0 | 0 | 0 | 112.3 | ||||
| 96 | R | 28.6 | Very low | 32 | Very low | 229 Ų | 229 | 149 Ų | 149 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | cis | -124.5 | -179.9 | 12.1 | -93.6 | 170 | 164 | -176.3 | -7.4 | 110.4 | ||||
| 97 | S | 32.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -146.5 | 146.5 | 1.6 | 13.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 98 | T | 31.8 | Very low | 31.6 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | 68.9 | 89.5 | 51 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 99 | V | 32.9 | Very low | 31.5 | Very low | 141 Ų | 141 | 149 Ų | 149 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -126.7 | 94.2 | 138.8 | 179.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 100 | D | 29.1 | Very low | 31.4 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 58% | 0.578 | 74% | 0.737 | S | S | * | * | trans | -84.7 | 138 | 168.3 | -71.2 | -80.1 | 0 | 0 | 0 | 109.2 | ||||
| 101 | N | 33.2 | Very low | 31.3 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -174.3 | 93.7 | 164.7 | -90.6 | -32.3 | 0 | 0 | 0 | 104.7 | ||||
| 102 | Q | 28.7 | Very low | 31.1 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | cis | 57.7 | 64.4 | 44.8 | -77.3 | -153.7 | 53.5 | 0 | 0 | 114.3 | ||||
| 103 | W | 29.6 | Very low | 31 | Very low | 233 Ų | 233 | 139 Ų | 139 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | trans | -122 | 131.4 | 130.7 | -91 | 71.4 | 0 | 0 | 0 | 106.7 | ||||
| 104 | N | 31.5 | Very low | 31.1 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | 59.7 | 131.7 | 58.6 | -74 | -36 | 0 | 0 | 0 | 112.5 | |||||
| 105 | R | 29.3 | Very low | 31.1 | Very low | 212 Ų | 212 | 131.6 Ų | 131.6 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | cis | -167.1 | 153.6 | -14.7 | -133.4 | 175.5 | -169.3 | -123.8 | 5.5 | 107 | ||||
| 106 | S | 28.4 | Very low | 31.4 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | trans | 35 | 148.4 | 147.6 | -56.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 107 | N | 32.4 | Very low | 31.4 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 67% | 0.666 | S | S | * | * | trans | 75.5 | 156.5 | 164.3 | -52.7 | -10.9 | 0 | 0 | 0 | 116 | ||||
| 108 | S | 31.1 | Very low | 31.3 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | cis | -179.2 | 136.1 | -32.7 | -178.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 109 | M | 30.9 | Very low | 31.2 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | trans | 62.2 | 157.2 | 170.8 | -78 | -178.3 | 168.9 | 0 | 0 | 116.3 | ||||
| 110 | N | 31.9 | Very low | 31.1 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | 70.8 | 137.2 | 144.3 | -67.9 | 2.4 | 0 | 0 | 0 | 118.2 | ||||
| 111 | T | 31.6 | Very low | 31.2 | Very low | 58 Ų | 58 | 138 Ų | 138 | 36% | 0.356 | 68% | 0.676 | S | S | . | * | cis | -178.6 | 131.6 | 6.3 | 122.4 | 0 | 0 | 0 | 0 | 110.6 | N682 G683 | T111-N682 WeakPolarHBondContact CG2-O 3.47Å; T111-G683 VanDerWaalsContact CG2-N 3.3Å; T111-G683 WeakPolarHBondContact OG1-CA 3.27Å; T111-G683 PolarHBondContact OG1-N 3.22Å; T111-G683 PolarHBondContact OG1-O 2.62Å | ||
| 112 | L | 31.2 | Very low | 31.3 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 40% | 0.403 | 68% | 0.678 | S | S | . | * | trans | 27 | 148.9 | 178.1 | -81.1 | 175.6 | 0 | 0 | 0 | 125 | N682 G683 I684 | L112-N682 HydrophobicContact CD1-CB 4.28Å; L112-N682 HydrophobicContact CD2-CB 4.17Å; L112-N682 WeakPolarHBondContact CD2-OD1 3.47Å; L112-N682 HydrophobicContact CG-CB 3.68Å; L112-N682 VanDerWaalsContact CG-CG 3.49Å; L112-N682 WeakPolarHBondContact CG-OD1 2.86Å; L112-G683 VanDerWaalsContact CG-CA 3.5Å; L112-I684 HydrophobicContact CD1-CB 4.49Å; L112-I684 HydrophobicContact CD1-CG1 4.41Å; L112-I684 HydrophobicContact CD1-CG2 4.13Å | ||
| 113 | L | 34.2 | Very low | 31.3 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | 95.2 | 139.1 | 129.4 | -89.8 | 167.2 | 0 | 0 | 0 | 122.6 | I684 | L113-I684 HydrophobicContact CD1-CG2 3.58Š| |||
| 114 | N | 33 | Very low | 31.4 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 53% | 0.529 | 68% | 0.679 | S | S | . | * | trans | 64.3 | 98.9 | 148.6 | -78.3 | -8.6 | 0 | 0 | 0 | 121.6 | ||||
| 115 | L | 30.7 | Very low | 31.3 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | 60.4 | 110 | 109.8 | -93.2 | 70.4 | 0 | 0 | 0 | 119.5 | |||||
| 116 | K | 36.5 | Very low | 31.3 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | 93.3 | 124.3 | 107.1 | -166.2 | 166 | -173.8 | 176.4 | 0 | 118.4 | |||||
| 117 | Y | 30 | Very low | 31.7 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | trans | 19.5 | 141.1 | 140.6 | -66.8 | -116 | 0 | 0 | 0 | 118.7 | ||||
| 118 | H | 30.2 | Very low | 31.6 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 63% | 0.634 | 67% | 0.668 | S | S | * | * | cis | -162.5 | -179.4 | 48.8 | -121.3 | -72.1 | 0 | 0 | 0 | 112.5 | ||||
| 119 | H | 28.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | 12.3 | 148.5 | 151.3 | -64.9 | -35.7 | 0 | 0 | 0 | 121 | ||||
| 120 | T | 31.2 | Very low | 31.6 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 66% | 0.66 | S | S | * | * | cis | -162.6 | 173.1 | 47.8 | -34.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 121 | K | 31.9 | Very low | 31.5 | Very low | 183 Ų | 183 | 130 Ų | 130 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | trans | -52 | 149.5 | 166.7 | -50.7 | 159.8 | 179.9 | 173.1 | 0 | 112.4 | ||||
| 122 | T | 33.5 | Very low | 31.7 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | -173.3 | 160.9 | 101.4 | 30.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 123 | N | 29.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | trans | -74.2 | 157.4 | -178.8 | -32.9 | -68.5 | 0 | 0 | 0 | 112.8 | ||||
| 124 | L | 31.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | -163.1 | 169.7 | 111 | -129.7 | 73.1 | 0 | 0 | 0 | 113.9 | |||||
| 125 | C | 28.3 | Very low | 31.6 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 55% | 0.554 | 72% | 0.721 | S | S | * | * | trans | -89.4 | 146 | -167.2 | -86 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 126 | L | 30.4 | Very low | 31.8 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | 37.2 | 172.6 | 106.4 | -58.4 | 173.3 | 0 | 0 | 0 | 119.9 | |||||
| 127 | P | 37.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 145.5 Ų | 145.5 | 57% | 0.565 | 73% | 0.725 | S | S | * | * | cis | -139.9 | -159.7 | -32.3 | 28.9 | -4.1 | 0 | 0 | 0 | 113.4 | ||||
| 128 | L | 29.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 79.8 | 156.3 | 156 | -56 | 165 | 0 | 0 | 0 | 116.7 | ||||
| 129 | N | 29 | Very low | 31.6 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | cis | -158 | 175 | 6.6 | -138.6 | 13.9 | 0 | 0 | 0 | 116.3 | ||||
| 130 | D | 32.9 | Very low | 32 | Very low | 120 Ų | 120 | 143 Ų | 143 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | 78.8 | 119.6 | 142 | -65 | -30.8 | 0 | 0 | 0 | 127.1 | ||||
| 131 | E | 29.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | 83.3 | 161.3 | 125.8 | -73.3 | -148.3 | 97.9 | 0 | 0 | 126.8 | |||||
| 132 | Q | 36.5 | Very low | 32.3 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | 75.7 | 115.3 | 177 | -50 | -171.2 | 8.2 | 0 | 0 | 116.5 | ||||
| 133 | K | 29.6 | Very low | 32.4 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 74% | 0.735 | 74% | 0.736 | S | S | * | * | cis | 90 | 141 | 20.9 | -161.6 | -177.6 | 173.3 | -175.8 | 0 | 115.2 | ||||
| 134 | H | 35.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 145 Ų | 145 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | trans | 91 | 142.3 | 178.8 | -55.2 | 101.5 | 0 | 0 | 0 | 114.8 | ||||
| 135 | Q | 31 | Very low | 32.6 | Very low | 148 Ų | 148 | 148 Ų | 148 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | cis | -161.4 | -173.5 | -16.7 | -143.5 | 166.8 | -36.7 | 0 | 0 | 110.8 | ||||
| 136 | E | 35 | Very low | 32.8 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 64.6 | 108.3 | 162.3 | -68.4 | 163.5 | -168.1 | 0 | 0 | 116.4 | ||||
| 137 | E | 31 | Very low | 32.8 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | 71.1 | 105.9 | 56.3 | -63.4 | -160.5 | 120.3 | 0 | 0 | 116 | |||||
| 138 | C | 32.3 | Very low | 32.7 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | -151.5 | 127.5 | 124.7 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 139 | M | 29.5 | Very low | 33.3 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | -75.4 | 163 | 171.7 | -68.5 | 159.5 | 48.3 | 0 | 0 | 111.1 | ||||
| 140 | I | 36.8 | Very low | 33.7 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | -164.5 | 129.5 | 117.3 | -97.7 | 152.4 | 0 | 0 | 0 | 109.5 | |||||
| 141 | D | 33 | Very low | 34 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 162 | 175.3 | -84.9 | -78.8 | 0 | 0 | 0 | 112.9 | ||||
| 142 | V | 36.3 | Very low | 34.4 | Very low | 139 Ų | 139 | 155.5 Ų | 155.5 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | 177.9 | 122.7 | 105.5 | 154.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 143 | K | 35 | Very low | 34.5 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -116.7 | 99.8 | 176.1 | 173.1 | -176 | 178.8 | 175.7 | 0 | 109.9 | ||||
| 144 | K | 32.6 | Very low | 34.7 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -176.1 | 144.8 | 160.5 | -114.5 | 161.6 | -173.1 | 171.4 | 0 | 116.8 | ||||
| 145 | R | 32.9 | Very low | 34.6 | Very low | 224 Ų | 224 | 151.8 Ų | 151.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 76.7 | 158.9 | 153.8 | -65.4 | 172 | -69.8 | -155.9 | -0.3 | 118.7 | ||||
| 146 | K | 32.7 | Very low | 34.7 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | -177.8 | 135.3 | -33.5 | -170.5 | -173.1 | 165.9 | -178.7 | 0 | 109.2 | ||||
| 147 | T | 30.5 | Very low | 34.6 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | 62.1 | 156.4 | 159.7 | 41 | 0 | 0 | 0 | 0 | 120 | ||||
| 148 | M | 36.4 | Very low | 34.7 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 70.4 | 138.3 | 177.6 | -45.9 | -45.3 | -175 | 0 | 0 | 114.2 | ||||
| 149 | D | 41.4 | Very low | 34.9 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | cis | -111.6 | 147.5 | 14 | -66.6 | -57.3 | 0 | 0 | 0 | 115.3 | ||||
| 150 | D | 38.1 | Very low | 35.3 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -80.5 | 145.5 | 166.7 | -62.6 | -69.8 | 0 | 0 | 0 | 111 | ||||
| 151 | N | 38.9 | Very low | 35.1 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | 175.2 | 150.7 | 105.3 | -96.7 | -72.9 | 0 | 0 | 0 | 114.9 | |||||
| 152 | M | 36.6 | Very low | 35 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 61.8 | 92.9 | 160.6 | -65.7 | -169.6 | 66.8 | 0 | 0 | 120.6 | ||||
| 153 | L | 38.4 | Very low | 35 | Very low | 133 Ų | 133 | 145 Ų | 145 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | 47 | 135.1 | 105.8 | -55.6 | 166.9 | 0 | 0 | 0 | 118.6 | |||||
| 154 | Q | 34.2 | Very low | 34.9 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -172.7 | 149.5 | -2.7 | -125.8 | 175 | -7.3 | 0 | 0 | 111 | ||||
| 155 | V | 34.2 | Very low | 34.6 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | 42.9 | 133.3 | 124.6 | 166.4 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 156 | D | 33.6 | Very low | 34.6 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | cis | -169.3 | 175.3 | -4.2 | -128.1 | -53.5 | 0 | 0 | 0 | 115.2 | ||||
| 157 | T | 32.8 | Very low | 34.3 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | trans | -14 | 142.8 | 148.3 | -53.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 158 | M | 33.2 | Very low | 34.2 | Very low | 163 Ų | 163 | 143 Ų | 143 | 80% | 0.803 | 75% | 0.754 | S | S | * | * | -157.9 | 168.2 | 51 | -128.3 | 141.3 | -154.1 | 0 | 0 | 109.7 | |||||
| 159 | I | 34.7 | Very low | 34.2 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | 81.8 | 129.2 | 21.8 | -66.1 | 170.5 | 0 | 0 | 0 | 114.6 | ||||
| 160 | P | 39.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -143.2 | -157.2 | -16.2 | 38.9 | -15 | 0 | 0 | 0 | 115.9 | ||||
| 161 | E | 32.1 | Very low | 33.4 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 99.9 | 121.8 | 140.8 | -136.1 | 170.1 | -115.1 | 0 | 0 | 124.3 | ||||
| 162 | S | 30.5 | Very low | 32.9 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 60.9 | 142.2 | 166.2 | 84.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 163 | S | 35.9 | Very low | 32.8 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | -170.3 | 166 | 36.8 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 164 | V | 34.1 | Very low | 32.6 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 56.2 | 120 | 157.4 | 177.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 165 | Y | 25.8 | Very low | 32.5 | Very low | 210 Ų | 210 | 148.8 Ų | 148.8 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -63.5 | 143.8 | 163.4 | -78.9 | -110 | 0 | 0 | 0 | 112.5 | ||||
| 166 | N | 32.8 | Very low | 32.7 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -157.5 | 169.6 | 131.6 | -111.5 | -46.5 | 0 | 0 | 0 | 113.9 | ||||
| 167 | Y | 26.9 | Very low | 32.6 | Very low | 207 Ų | 207 | 153.3 Ų | 153.3 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -88 | 163.6 | -160.1 | -93.6 | -101.8 | 0 | 0 | 0 | 116.5 | ||||
| 168 | T | 27.7 | Very low | 32.9 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | 75.6 | 111.1 | 149.7 | -62 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 169 | T | 36 | Very low | 32.9 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | -166 | 145.6 | 110.5 | 16.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 170 | N | 28.2 | Very low | 33 | Very low | 163 Ų | 163 | 154.6 Ų | 154.6 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -79.7 | 139.4 | 175.8 | -67.7 | -36.1 | 0 | 0 | 0 | 111.5 | ||||
| 171 | K | 35.4 | Very low | 32.8 | Very low | 208 Ų | 208 | 155.8 Ų | 155.8 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -141.1 | 140.2 | 140.2 | -71.8 | -163.5 | 177.6 | -179.6 | 0 | 109.4 | ||||
| 172 | A | 28.4 | Very low | 32.7 | Very low | 86 Ų | 86 | 158.4 Ų | 158.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -132.7 | 145.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 173 | Y | 34.4 | Very low | 33.2 | Very low | 200 Ų | 200 | 158.2 Ų | 158.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -154.2 | 120.9 | 160.4 | -82.1 | -64.4 | 0 | 0 | 0 | 104 | ||||
| 174 | E | 33.9 | Very low | 33.1 | Very low | 163 Ų | 163 | 162.8 Ų | 162.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 65.3 | 137.3 | 91 | -74.1 | -174.7 | 171.3 | 0 | 0 | 113.4 | |||||
| 175 | Y | 33 | Very low | 33 | Very low | 187 Ų | 187 | 166 Ų | 166 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | cis | -168.1 | 138.5 | -15.6 | -166.9 | -91.8 | 0 | 0 | 0 | 106.6 | ||||
| 176 | E | 36.9 | Very low | 33.3 | Very low | 194 Ų | 194 | 165.7 Ų | 165.7 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -176 | 146.9 | 143.1 | -109 | 173.1 | -164.8 | 0 | 0 | 111.8 | ||||
| 177 | E | 31.5 | Very low | 33.4 | Very low | 146 Ų | 146 | 163 Ų | 163 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -118.9 | 132.9 | -169.6 | -178.1 | 175.4 | -159.7 | 0 | 0 | 110.2 | I179 | E177-I179 HydrophobicContact CG-CG1 4.17Š| ||
| 178 | S | 39.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 161.7 Ų | 161.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -132.5 | 108.7 | 171.5 | -161.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 179 | I | 33.9 | Very low | 33.9 | Very low | 118 Ų | 118 | 163.2 Ų | 163.2 | 61% | 0.605 | 80% | 0.801 | S | S | * | * | trans | -81.6 | 136 | -171.2 | -60.2 | 165.4 | 0 | 0 | 0 | 110.2 | E177 | E177-I179 HydrophobicContact CG-CG1 4.17Š| ||
| 180 | H | 36.5 | Very low | 33.9 | Very low | 191 Ų | 191 | 165.7 Ų | 165.7 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -144.7 | 123.2 | 153.3 | -107 | 58.2 | 0 | 0 | 0 | 110.6 | ||||
| 181 | D | 34.1 | Very low | 34.3 | Very low | 135 Ų | 135 | 165.2 Ų | 165.2 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -70.2 | 152.6 | -179 | -86.3 | -68.6 | 0 | 0 | 0 | 114.1 | ||||
| 182 | Y | 31.6 | Very low | 34.3 | Very low | 230 Ų | 230 | 161.5 Ų | 161.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -155.2 | 154.1 | 128.3 | -105.1 | -84.7 | 0 | 0 | 0 | 108.2 | |||||
| 183 | P | 39.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 163.7 Ų | 163.7 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -92.9 | 160.9 | -144.9 | 34.9 | -36.5 | 0 | 0 | 0 | 117.2 | ||||
| 184 | K | 34.8 | Very low | 34.6 | Very low | 198 Ų | 198 | 159.8 Ų | 159.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 123.7 | -176.2 | -63.9 | 165.3 | -178.9 | 166.6 | 0 | 113.5 | K186 | K184-K186 PolarHBondContact O-N 3.01Š| ||
| 185 | F | 32.2 | Very low | 34.8 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -78.8 | 106.2 | 162.3 | -99 | -89 | 0 | 0 | 0 | 111.3 | S187 | F185-S187 PolarHBondContact O-N 3.07Š| ||
| 186 | K | 32.4 | Very low | 34.9 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | -87.4 | 90.3 | 170.2 | -79.1 | -174.6 | 173.9 | -178.7 | 0 | 111.1 | K184 | K184-K186 PolarHBondContact O-N 3.01Š| ||
| 187 | S | 33.2 | Very low | 35 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -160.6 | 50.9 | 168.6 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | F185 | F185-S187 PolarHBondContact O-N 3.07Š| ||
| 188 | F | 33.4 | Very low | 35.3 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -127.5 | 65.2 | 179.6 | -155.6 | -94.4 | 0 | 0 | 0 | 113 | ||||
| 189 | N | 33.2 | Very low | 35.2 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -153 | 7.5 | 169.1 | -108.7 | -34.6 | 0 | 0 | 0 | 115.1 | ||
| 190 | Q | 35.1 | Very low | 35.3 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -106.4 | 9.7 | -174.5 | -153.3 | 167.9 | 11.5 | 0 | 0 | 114 | ||
| 191 | Q | 36.8 | Very low | 35.4 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -113.2 | -2.7 | -173.1 | -142.7 | 166.1 | 23.4 | 0 | 0 | 114.5 | ||
| 192 | L | 36.3 | Very low | 35.7 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -90 | -11.2 | -179.2 | -69 | 174.9 | 0 | 0 | 0 | 114.5 | ||
| 193 | N | 35.8 | Very low | 36.1 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -95.8 | -10.2 | -175.7 | -138.4 | 17.3 | 0 | 0 | 0 | 114.5 | ||
| 194 | M | 33.4 | Very low | 36 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 58% | 0.581 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -82 | -23.1 | 173.9 | -75 | -59.2 | -57.4 | 0 | 0 | 113.4 | R196 T197 Y198 | M194-R196 VanDerWaalsContact C-N 3.34Å; M194-R196 PolarHBondContact O-N 3.19Å; M194-T197 PolarHBondContact O-OG1 3.08Å; M194-Y198 HydrophobicContact CE-CD2 4.38Å; M194-Y198 HydrophobicContact CE-CE2 4.1Å |
| 195 | S | 36.9 | Very low | 36.3 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.2 | -17.9 | -173.9 | -49.1 | 0 | 0 | 0 | 0 | 113.9 | S199 | S195-S199 PolarHBondContact O-N 3.35Å |
| 196 | R | 36.3 | Very low | 36.6 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.7 | -44.4 | 178.2 | -73.4 | -174.7 | 177.4 | -115 | 1.9 | 112.4 | M194 Y198 S199 S200 | M194-R196 VanDerWaalsContact C-N 3.34Å; M194-R196 PolarHBondContact O-N 3.19Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.91Å; R196-S199 WeakPolarHBondContact O-CB 3.3Å; R196-S199 PolarHBondContact O-N 3.25Å; R196-S200 PolarHBondContact O-N 3.03Å |
| 197 | T | 38.7 | Very low | 37 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.5 | -27.8 | 178.8 | 37.9 | 0 | 0 | 0 | 0 | 113.6 | M194 S200 | M194-T197 PolarHBondContact O-OG1 3.08Å; T197-S200 PolarHBondContact O-OG 3.15Å |
| 198 | Y | 36.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 59% | 0.592 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.1 | -27.5 | 168.1 | -93.9 | -89.2 | 0 | 0 | 0 | 113 | M194 R196 W202 | M194-Y198 HydrophobicContact CE-CD2 4.38Å; M194-Y198 HydrophobicContact CE-CE2 4.1Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.91Å; Y198-W202 VanDerWaalsContact O-CD1 3.24Å |
| 199 | S | 37.6 | Very low | 37.8 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.7 | -28.6 | -177.6 | -168.8 | 0 | 0 | 0 | 0 | 113.7 | S195 R196 | S195-S199 PolarHBondContact O-N 3.35Å; R196-S199 WeakPolarHBondContact O-CB 3.3Å; R196-S199 PolarHBondContact O-N 3.25Å |
| 200 | S | 37.5 | Very low | 38.2 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 43% | 0.434 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -75.5 | -35.4 | 177.1 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | R196 T197 W202 M203 N204 | R196-S200 PolarHBondContact O-N 3.03Å; T197-S200 PolarHBondContact O-OG 3.15Å; S200-W202 PolarHBondContact O-N 3.34Å; S200-M203 PolarHBondContact O-N 2.77Å; S200-N204 PolarHBondContact O-N 3.47Å; S200-N204 PolarHBondContact O-OD1 3.26Å |
| 201 | H | 37.6 | Very low | 38.5 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.9 | -28.9 | -176.1 | -167.4 | 41.2 | 0 | 0 | 0 | 113.8 | ||
| 202 | W | 41.5 | Very low | 38.8 | Very low | 167 Ų | 167 | 117.2 Ų | 117.2 | 63% | 0.633 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.5 | -32.6 | 173.2 | -62.8 | 95.9 | 0 | 0 | 0 | 113.1 | Y198 S200 N204 S205 Y206 | Y198-W202 VanDerWaalsContact O-CD1 3.24Å; S200-W202 PolarHBondContact O-N 3.34Å; W202-N204 PolarHBondContact O-N 3.41Å; W202-S205 WeakPolarHBondContact O-CB 3.15Å; W202-S205 PolarHBondContact O-N 2.77Å; W202-S205 VanDerWaalsContact O-N 3.1Å; W202-Y206 WeakPolarHBondContact O-CD2 3.27Å |
| 203 | M | 39.8 | Very low | 39.2 | Very low | 115 Ų | 115 | 117 Ų | 117 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61 | -42.6 | 178.7 | -86 | -71 | -178.3 | 0 | 0 | 112.2 | S200 S205 Y206 E207 | S200-M203 PolarHBondContact O-N 2.77Å; M203-S205 PolarHBondContact O-N 2.84Å; M203-Y206 WeakPolarHBondContact O-CB 3.37Å; M203-Y206 PolarHBondContact O-N 2.91Å; M203-E207 PolarHBondContact O-N 3.47Å |
| 204 | N | 36.7 | Very low | 39.6 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.2 | -20.6 | 175.9 | -67.8 | 52.8 | 0 | 0 | 0 | 113.6 | S200 W202 | S200-N204 PolarHBondContact O-N 3.47Å; S200-N204 PolarHBondContact O-OD1 3.26Å; W202-N204 PolarHBondContact O-N 3.41Å |
| 205 | S | 41.9 | Very low | 40.1 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -85.3 | -12.8 | 175.4 | -162.3 | 0 | 0 | 0 | 0 | 113.3 | W202 M203 | W202-S205 WeakPolarHBondContact O-CB 3.15Å; W202-S205 PolarHBondContact O-N 2.77Å; W202-S205 VanDerWaalsContact O-N 3.1Å; M203-S205 PolarHBondContact O-N 2.84Å |
| 206 | Y | 38.9 | Very low | 40.2 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 58% | 0.584 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -90.8 | -40.9 | 172.3 | -78.5 | -81.1 | 0 | 0 | 0 | 112.1 | W202 M203 Q208 L209 D210 | W202-Y206 WeakPolarHBondContact O-CD2 3.27Å; M203-Y206 WeakPolarHBondContact O-CB 3.37Å; M203-Y206 PolarHBondContact O-N 2.91Å; Y206-Q208 PolarHBondContact O-N 2.8Å; Y206-L209 WeakPolarHBondContact O-CB 2.89Å; Y206-L209 PolarHBondContact O-N 3.07Å; Y206-D210 PolarHBondContact O-N 2.75Å |
| 207 | E | 40.7 | Very low | 40.6 | Very low | 128 Ų | 128 | 117.7 Ų | 117.7 | 60% | 0.598 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.8 | -35.9 | 179 | -67 | 176.9 | 161.9 | 0 | 0 | 112.1 | M203 L209 D210 | M203-E207 PolarHBondContact O-N 3.47Å; E207-L209 PolarHBondContact O-N 3.24Å; E207-D210 PolarHBondContact O-N 3.25Å |
| 208 | Q | 41.2 | Very low | 40.7 | Very low | 155 Ų | 155 | 119 Ų | 119 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.5 | -5.8 | 178.5 | -148.2 | 169.8 | 52.2 | 0 | 0 | 114.4 | Y206 | Y206-Q208 PolarHBondContact O-N 2.8Å |
| 209 | L | 40.6 | Very low | 41.1 | Very low | 110 Ų | 110 | 119 Ų | 119 | 58% | 0.576 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -98.6 | -25.1 | 173.8 | -87.2 | 164 | 0 | 0 | 0 | 113 | Y206 E207 N212 | Y206-L209 WeakPolarHBondContact O-CB 2.89Å; Y206-L209 PolarHBondContact O-N 3.07Å; E207-L209 PolarHBondContact O-N 3.24Å; L209-N212 PolarHBondContact O-N 3.38Å |
| 210 | D | 43.2 | Very low | 41.2 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 47% | 0.465 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.5 | -26.1 | 179.7 | -77.2 | -29.7 | 0 | 0 | 0 | 112.7 | Y206 E207 N212 K213 | Y206-D210 PolarHBondContact O-N 2.75Å; E207-D210 PolarHBondContact O-N 3.25Å; D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.41Å; D210-K213 VanDerWaalsContact O-CB 3.22Å; D210-K213 WeakPolarHBondContact O-CB 3.1Å; D210-K213 PolarHBondContact O-N 3.2Å; D210-K213 WeakPolarHBondContact OD1-CD 3.49Å; D210-K213 WeakPolarHBondContact OD1-CE 3.42Å; D210-K213 IonicContact OD1-NZ 2.69Å; D210-K213 PolarHBondContact OD1-NZ 3.43Å |
| 211 | S | 39.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -23.8 | 171.9 | -54.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 212 | N | 43.3 | Very low | 41.6 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 49% | 0.492 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | 9.9 | -177.5 | -60.2 | -18.7 | 0 | 0 | 0 | 112.5 | L209 D210 | L209-N212 PolarHBondContact O-N 3.38Å; D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.41Å |
| 213 | K | 44.3 | Very low | 41.3 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 55% | 0.548 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -24.7 | -164.6 | -148.5 | -179 | -152.8 | 166.2 | 0 | 113.9 | D210 | D210-K213 VanDerWaalsContact O-CB 3.22Å; D210-K213 WeakPolarHBondContact O-CB 3.1Å; D210-K213 PolarHBondContact O-N 3.2Å; D210-K213 WeakPolarHBondContact OD1-CD 3.49Å; D210-K213 WeakPolarHBondContact OD1-CE 3.42Å; D210-K213 IonicContact OD1-NZ 2.69Å; D210-K213 PolarHBondContact OD1-NZ 3.43Å |
| 214 | E | 44.9 | Very low | 41.1 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -19.3 | -178.9 | -57 | -166.1 | 146.1 | 0 | 0 | 113.1 | T217 N218 | E214-T217 PolarHBondContact O-OG1 3.42Å; E214-N218 PolarHBondContact O-ND2 3.26Å |
| 215 | E | 43.1 | Very low | 41.3 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -40 | 178.9 | -162.9 | 166.1 | -146.6 | 0 | 0 | 111.7 | T217 | E215-T217 VanDerWaalsContact C-N 3.33Å; E215-T217 PolarHBondContact O-N 3.18Å |
| 216 | L | 40.7 | Very low | 41 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -9.8 | -177.7 | -84 | 165.1 | 0 | 0 | 0 | 115.4 | ||
| 217 | T | 42.9 | Very low | 40.8 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 55% | 0.546 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -17.5 | 179.2 | 40.8 | 0 | 0 | 0 | 0 | 114.3 | E214 E215 | E214-T217 PolarHBondContact O-OG1 3.42Å; E215-T217 VanDerWaalsContact C-N 3.33Å; E215-T217 PolarHBondContact O-N 3.18Å |
| 218 | N | 42.5 | Very low | 40.6 | Very low | 115 Ų | 115 | 137 Ų | 137 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -32.5 | -173.4 | -61.1 | -37.7 | 0 | 0 | 0 | 112.9 | E214 L220 T221 | E214-N218 PolarHBondContact O-ND2 3.26Å; N218-L220 PolarHBondContact O-N 3.12Å; N218-T221 PolarHBondContact O-OG1 3.37Å |
| 219 | E | 45.3 | Very low | 40.2 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -69.6 | -29.5 | -179.9 | -76.6 | -70.9 | 110.4 | 0 | 0 | 114.2 | T221 | E219-T221 VanDerWaalsContact C-N 3.28Å; E219-T221 PolarHBondContact O-N 2.97Å |
| 220 | L | 39.4 | Very low | 39.9 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -83.4 | 5.4 | -164.7 | -149.6 | 71.4 | 0 | 0 | 0 | 115 | N218 | N218-L220 PolarHBondContact O-N 3.12Š|
| 221 | T | 41.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -99.9 | -16.4 | -173.9 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | N218 E219 | N218-T221 PolarHBondContact O-OG1 3.37Å; E219-T221 VanDerWaalsContact C-N 3.28Å; E219-T221 PolarHBondContact O-N 2.97Å |
| 222 | T | 40.9 | Very low | 39.4 | Very low | 113 Ų | 113 | 145 Ų | 145 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -91.8 | -20.3 | -164.4 | -45.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 223 | N | 35.9 | Very low | 38.9 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -110.7 | 78.8 | -170.4 | -78.3 | -61.4 | 0 | 0 | 0 | 113.5 | ||||
| 224 | R | 36.1 | Very low | 38.4 | Very low | 234 Ų | 234 | 148.4 Ų | 148.4 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -140 | 66.5 | -178.7 | -154.3 | -179.6 | -162 | -174.8 | 6.7 | 114.5 | ||||
| 225 | I | 40.4 | Very low | 37.8 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | -86.4 | 124.8 | 176.6 | -57.4 | 175.6 | 0 | 0 | 0 | 110.7 | ||||
| 226 | P | 35.2 | Very low | 37.6 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -98.4 | 123.7 | 175.9 | 34.8 | -29 | 0 | 0 | 0 | 112.4 | ||||
| 227 | L | 35 | Very low | 37.3 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -106.3 | 124.2 | 170.3 | -83.7 | 164.7 | 0 | 0 | 0 | 111.2 | ||||
| 228 | K | 35.9 | Very low | 37.1 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -102.5 | 142.7 | 174.1 | -72.4 | -177.5 | 177.1 | 179.2 | 0 | 110.6 | ||||
| 229 | Q | 34.3 | Very low | 36.7 | Very low | 178 Ų | 178 | 151.9 Ų | 151.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 39.6 | 125 | 142 | -59.4 | 169.2 | -48.5 | 0 | 0 | 119.2 | ||||
| 230 | S | 34.4 | Very low | 36.5 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | -177.4 | 146 | 108.5 | -154.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 231 | M | 35 | Very low | 36.3 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | 51.9 | 113.4 | 149.5 | -80.3 | -166.1 | -62.7 | 0 | 0 | 123.6 | ||||
| 232 | K | 36.4 | Very low | 36 | Very low | 193 Ų | 193 | 155.9 Ų | 155.9 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | 130 | 146.3 | 99.1 | -108 | 175.9 | 177.9 | 172.1 | 0 | 116.1 | |||||
| 233 | K | 33.6 | Very low | 35.9 | Very low | 211 Ų | 211 | 157.3 Ų | 157.3 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -85.7 | 148.1 | -179.4 | -64.3 | 175.8 | 175.5 | 178.7 | 0 | 111.8 | ||||
| 234 | G | 34 | Very low | 35.7 | Very low | 79 Ų | 79 | 157 Ų | 157 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -141.3 | 140 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 235 | S | 31 | Very low | 35.5 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -151.5 | 123.8 | -170.7 | 157.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 236 | T | 38.7 | Very low | 35.3 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -136.6 | 128.9 | 159.9 | -44.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 237 | R | 34.3 | Very low | 35.3 | Very low | 229 Ų | 229 | 153 Ų | 153 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -102.3 | 135.9 | 162.7 | -66.3 | 166.1 | 69.5 | 162.5 | 2.7 | 105.9 | ||||
| 238 | D | 40.3 | Very low | 35.6 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -129.9 | 151.1 | 159.2 | -89.8 | -58.7 | 0 | 0 | 0 | 109.6 | ||||
| 239 | S | 34.3 | Very low | 35.9 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -146.3 | 124 | -161.5 | 54.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 240 | I | 39.4 | Very low | 36.2 | Very low | 178 Ų | 178 | 145 Ų | 145 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -119.6 | 137.3 | 173.5 | -62.2 | -176.1 | 0 | 0 | 0 | 109.8 | ||||
| 241 | T | 36.4 | Very low | 36.5 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -82 | 163.8 | -163 | 28.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 242 | K | 35.2 | Very low | 36.7 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -49.8 | 142.3 | 166.5 | -54.8 | 164.8 | -178.7 | 175.3 | 0 | 112 | ||||
| 243 | T | 38.2 | Very low | 36.9 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -115.1 | 168.6 | 150.8 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 244 | L | 31.3 | Very low | 36.9 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -136 | 157.6 | -147.6 | -153.6 | 76.9 | 0 | 0 | 0 | 112.5 | ||||
| 245 | T | 32.9 | Very low | 36.8 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | 72.1 | 161.5 | 171.7 | 80.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 246 | N | 35.5 | Very low | 37 | Very low | 124 Ų | 124 | 147 Ų | 147 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | cis | -155.2 | 165.6 | 14.4 | -143 | -10.3 | 0 | 0 | 0 | 113.9 | ||||
| 247 | Y | 34.8 | Very low | 36.9 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 61.3 | 93.8 | 165.3 | -76.9 | -83.6 | 0 | 0 | 0 | 121.6 | ||||
| 248 | D | 40.8 | Very low | 37.1 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | 79.1 | 140.6 | 99.7 | -81.3 | 30.7 | 0 | 0 | 0 | 127.1 | |||||
| 249 | N | 42.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 144 Ų | 144 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | trans | 67.3 | 120.7 | 139.8 | -63.9 | -27.9 | 0 | 0 | 0 | 120 | ||||
| 250 | N | 41.6 | Very low | 37.1 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | cis | -177.8 | 160.3 | 19.9 | -113 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 251 | N | 40.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | 66.4 | 144.1 | 160.6 | -68.6 | -29.7 | 0 | 0 | 0 | 121.4 | ||||
| 252 | H | 40.4 | Very low | 37.8 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | cis | -166.8 | 152.9 | -25.5 | -176.1 | -94.7 | 0 | 0 | 0 | 109.9 | ||||
| 253 | G | 39.4 | Very low | 38 | Very low | 62 Ų | 62 | 142.3 Ų | 142.3 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | 103.1 | 70.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 254 | N | 33.9 | Very low | 38.4 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 58% | 0.578 | 74% | 0.737 | S | S | * | * | 64.9 | 96.3 | 53.4 | -170.2 | 15.4 | 0 | 0 | 0 | 114.8 | |||||
| 255 | W | 31.5 | Very low | 38.9 | Very low | 253 Ų | 253 | 140 Ų | 140 | 96% | 0.958 | 73% | 0.732 | S | S | * | * | trans | -149.7 | 76.9 | 140.7 | -85.6 | 105.6 | 0 | 0 | 0 | 107.9 | ||||
| 256 | N | 35.9 | Very low | 39.5 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -144 | 80.9 | -178.5 | -100.7 | -6.8 | 0 | 0 | 0 | 111.8 | ||||
| 257 | T | 37.3 | Very low | 40 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | -149.4 | 93.3 | 164.5 | -37.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | F | 38.1 | Very low | 40.4 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | 169.3 | 113 | 120.4 | -101.7 | -77.2 | 0 | 0 | 0 | 109.7 | |||||
| 259 | N | 35.4 | Very low | 40.8 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -74.2 | 159.5 | 151.9 | -57.1 | -30.8 | 0 | 0 | 0 | 106.5 | ||||
| 260 | D | 39.4 | Very low | 41 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | -163.5 | 165.3 | 62.4 | -94.6 | -47.4 | 0 | 0 | 0 | 113.9 | |||||
| 261 | T | 38.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | 48.1 | 91.5 | 155.8 | 53.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 262 | M | 51.3 | Low | 41.5 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | -140.1 | 111.8 | 126 | -88.5 | -55.6 | 150.8 | 0 | 0 | 110.5 | V264 | M262-V264 PolarHBondContact O-N 3.33Š| |||
| 263 | N | 38.5 | Very low | 41.7 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -81.1 | 107.7 | 176.5 | 173.4 | 15.8 | 0 | 0 | 0 | 110.4 | N265 | N263-N265 PolarHBondContact OD1-N 2.98Š| ||
| 264 | V | 48.1 | Very low | 42 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -130.7 | 70 | 172.5 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | M262 H266 | M262-V264 PolarHBondContact O-N 3.33Å; V264-H266 PolarHBondContact O-N 2.82Å; V264-H266 VanDerWaalsContact O-N 3.12Å | ||
| 265 | N | 41.9 | Very low | 42.8 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | trans | 28.8 | 70.6 | 151.1 | -65.8 | -43.6 | 0 | 0 | 0 | 117.5 | N263 H267 | N263-N265 PolarHBondContact OD1-N 2.98Å; N265-H267 PolarHBondContact O-N 2.86Å | ||
| 266 | H | 44.6 | Very low | 43.3 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | trans | -76 | 39.8 | 175.9 | -153.9 | -43.1 | 0 | 0 | 0 | 113.4 | V264 Q268 D269 | V264-H266 PolarHBondContact O-N 2.82Å; V264-H266 VanDerWaalsContact O-N 3.12Å; H266-Q268 VanDerWaalsContact C-N 3.28Å; H266-Q268 PolarHBondContact O-N 2.87Å; H266-Q268 VanDerWaalsContact O-N 3.1Å; H266-D269 VanDerWaalsContact CE1-CG 3.42Å; H266-D269 IonicContact CE1-OD1 3.04Å; H266-D269 PolarHBondContact CE1-OD1 2.93Å; H266-D269 IonicContact CE1-OD2 3.35Å; H266-D269 PolarHBondContact CE1-OD2 2.69Å; H266-D269 IonicContact ND1-OD1 3.09Å; H266-D269 PolarHBondContact ND1-OD1 3.48Å; H266-D269 VanDerWaalsContact ND1-OD1 3.09Å; H266-D269 IonicContact ND1-OD2 3.96Å | ||
| 267 | H | 46.7 | Very low | 43.7 | Very low | 146 Ų | 146 | 128 Ų | 128 | 68% | 0.676 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 41.2 | -171.4 | -106.1 | -52.3 | 0 | 0 | 0 | 113.8 | N265 E270 | N265-H267 PolarHBondContact O-N 2.86Å; H267-E270 IonicContact CE1-OE2 3.68Å; H267-E270 IonicContact ND1-OE2 3.39Å; H267-E270 PolarHBondContact ND1-OE2 3.04Å |
| 268 | Q | 43.8 | Very low | 44.8 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -9.1 | 179.3 | -67.8 | -169.2 | -2.9 | 0 | 0 | 114.9 | H266 | H266-Q268 VanDerWaalsContact C-N 3.28Å; H266-Q268 PolarHBondContact O-N 2.87Å; H266-Q268 VanDerWaalsContact O-N 3.1Å |
| 269 | D | 47.9 | Very low | 46.8 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -89.8 | -12.4 | -173.3 | -66.4 | 42.1 | 0 | 0 | 0 | 112.9 | H266 M271 | H266-D269 VanDerWaalsContact CE1-CG 3.42Å; H266-D269 IonicContact CE1-OD1 3.04Å; H266-D269 PolarHBondContact CE1-OD1 2.93Å; H266-D269 IonicContact CE1-OD2 3.35Å; H266-D269 PolarHBondContact CE1-OD2 2.69Å; H266-D269 IonicContact ND1-OD1 3.09Å; H266-D269 PolarHBondContact ND1-OD1 3.48Å; H266-D269 VanDerWaalsContact ND1-OD1 3.09Å; H266-D269 IonicContact ND1-OD2 3.96Å; D269-M271 VanDerWaalsContact C-N 3.29Å; D269-M271 PolarHBondContact O-N 3.29Å |
| 270 | E | 46 | Very low | 49.3 | Very low | 140 Ų | 140 | 119 Ų | 119 | 65% | 0.654 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -74 | -18.3 | 175.4 | -64.9 | -176.5 | 122.5 | 0 | 0 | 112.9 | H267 D272 N273 | H267-E270 IonicContact CE1-OE2 3.68Å; H267-E270 IonicContact ND1-OE2 3.39Å; H267-E270 PolarHBondContact ND1-OE2 3.04Å; E270-D272 VanDerWaalsContact C-N 3.3Å; E270-D272 PolarHBondContact O-N 3.4Å; E270-N273 WeakPolarHBondContact O-CB 3.22Å; E270-N273 PolarHBondContact O-N 3.49Å; E270-N273 VanDerWaalsContact O-N 3.12Å |
| 271 | M | 46.8 | Very low | 51.7 | Low | 96 Ų | 96 | 113.8 Ų | 113.8 | 47% | 0.473 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -70.5 | -22.9 | 178.8 | -66.4 | -164.2 | 67.7 | 0 | 0 | 113.5 | D269 N273 E327 | D269-M271 VanDerWaalsContact C-N 3.29Å; D269-M271 PolarHBondContact O-N 3.29Å; M271-N273 PolarHBondContact O-N 2.61Å; M271-E327 WeakPolarHBondContact CE-OE1 3.26Å |
| 272 | D | 47.1 | Very low | 54.2 | Low | 134 Ų | 134 | 108.9 Ų | 108.9 | 72% | 0.717 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -71 | -11.7 | 172.7 | -84.3 | -18 | 0 | 0 | 0 | 112.3 | E270 L275 | E270-D272 VanDerWaalsContact C-N 3.3Å; E270-D272 PolarHBondContact O-N 3.4Å; D272-L275 PolarHBondContact O-N 3.19Å |
| 273 | N | 44.3 | Very low | 56.2 | Low | 106 Ų | 106 | 102 Ų | 102 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -83.5 | -16.9 | -175.3 | -155 | 14.1 | 0 | 0 | 0 | 114.1 | E270 M271 L275 S276 | E270-N273 WeakPolarHBondContact O-CB 3.22Å; E270-N273 PolarHBondContact O-N 3.49Å; E270-N273 VanDerWaalsContact O-N 3.12Å; M271-N273 PolarHBondContact O-N 2.61Å; N273-L275 PolarHBondContact O-N 2.9Å; N273-L275 VanDerWaalsContact O-N 3.08Å; N273-S276 WeakPolarHBondContact O-CB 3.37Å; N273-S276 PolarHBondContact O-N 2.73Å; N273-S276 VanDerWaalsContact OD1-CB 3.24Å; N273-S276 WeakPolarHBondContact OD1-CB 3.4Å |
| 274 | E | 44.9 | Very low | 58.7 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -69.6 | -2 | 170.9 | -152 | 179.9 | -127.9 | 0 | 0 | 112.4 | S277 | E274-S277 PolarHBondContact O-OG 3.15Š|
| 275 | L | 50.7 | Low | 61 | Low | 60 Ų | 60 | 91.1 Ų | 91.1 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -88.5 | -14.5 | 165 | -79.4 | 164.3 | 0 | 0 | 0 | 115.1 | D272 N273 A278 R330 | D272-L275 PolarHBondContact O-N 3.19Å; N273-L275 PolarHBondContact O-N 2.9Å; N273-L275 VanDerWaalsContact O-N 3.08Å; L275-A278 HydrophobicContact CD2-CB 4.37Å; L275-R330 VanDerWaalsContact CD1-NE 3.35Å |
| 276 | S | 42.6 | Very low | 63.5 | Low | 99 Ų | 99 | 85.3 Ų | 85.3 | 69% | 0.692 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27.9 | 172.6 | -155.8 | 0 | 0 | 0 | 0 | 111.4 | N273 | N273-S276 WeakPolarHBondContact O-CB 3.37Å; N273-S276 PolarHBondContact O-N 2.73Å; N273-S276 VanDerWaalsContact OD1-CB 3.24Å; N273-S276 WeakPolarHBondContact OD1-CB 3.4Å |
| 277 | S | 43.6 | Very low | 65.9 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 66% | 0.664 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -81.7 | -24.5 | 172.4 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | E274 S279 | E274-S277 PolarHBondContact O-OG 3.15Å; S277-S279 PolarHBondContact O-N 3.3Å; S277-S279 VanDerWaalsContact O-N 3.1Å |
| 278 | A | 60.7 | Low | 68.2 | Low | 20 Ų | 20 | 73 Ų | 73 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -79.3 | 90.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L275 T282 T283 | L275-A278 HydrophobicContact CD2-CB 4.37Å; A278-T282 HydrophobicContact CB-CG2 4.45Å; A278-T283 PolarHBondContact O-OG1 3.06Å |
| 279 | S | 81.2 | Confident | 70.7 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 47% | 0.469 | 36% | 0.362 | S | S | . | . | trans | -26.1 | 138.9 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 115 | S277 L281 T282 T283 | S277-S279 PolarHBondContact O-N 3.3Å; S277-S279 VanDerWaalsContact O-N 3.1Å; S279-L281 CarbonylContact O-C 3.6Å; S279-L281 PolarHBondContact O-N 2.93Å; S279-T282 WeakPolarHBondContact O-CA 3.39Å; S279-T282 VanDerWaalsContact O-CB 3.29Å; S279-T282 WeakPolarHBondContact O-CB 3.48Å; S279-T282 PolarHBondContact O-N 2.91Å; S279-T283 PolarHBondContact O-N 2.96Å | ||
| 280 | E | 87.5 | Confident | 73 | Confident | 173 Ų | 173 | 60.2 Ų | 60.2 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -48.3 | -38.9 | 178.6 | -176.7 | 175.7 | -168.8 | 0 | 0 | 112 | T283 A284 | E280-T283 PolarHBondContact O-N 3.48Å; E280-A284 VanDerWaalsContact O-CB 3.23Å; E280-A284 WeakPolarHBondContact O-CB 3.13Å; E280-A284 PolarHBondContact O-N 3.33Å |
| 281 | L | 90.2 | Very high | 75.3 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -51.2 | -59.9 | 170.3 | -179.7 | 84.7 | 0 | 0 | 0 | 113 | S279 T283 A284 A285 S364 E366 A367 L370 | S279-L281 CarbonylContact O-C 3.6Å; S279-L281 PolarHBondContact O-N 2.93Å; L281-T283 VanDerWaalsContact C-N 3.28Å; L281-T283 PolarHBondContact O-N 2.84Å; L281-A284 PolarHBondContact O-N 3.48Å; L281-A285 VanDerWaalsContact O-CB 3.29Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 2.9Å; L281-S364 WeakPolarHBondContact CD1-OG 3.33Å; L281-E366 HydrophobicContact CD1-CB 3.79Å; L281-E366 HydrophobicContact CD1-CG 3.82Å; L281-E366 WeakPolarHBondContact CD1-OE2 3.46Å; L281-E366 HydrophobicContact CD2-CG 3.81Å; L281-E366 VanDerWaalsContact CD2-OE1 3.26Å; L281-E366 WeakPolarHBondContact CD2-OE1 3.32Å; L281-E366 WeakPolarHBondContact CD2-OE2 3.22Å; L281-E366 HydrophobicContact CG-CG 4.37Å; L281-A367 HydrophobicContact CD1-CB 3.91Å; L281-L370 HydrophobicContact CD2-CD1 3.71Å; L281-L370 HydrophobicContact CG-CD1 3.9Å |
| 282 | T | 91 | Very high | 77.5 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 10% | 0.104 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.1 | -45.6 | 177.5 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | A278 S279 Y286 W323 | A278-T282 HydrophobicContact CB-CG2 4.45Å; S279-T282 WeakPolarHBondContact O-CA 3.39Å; S279-T282 VanDerWaalsContact O-CB 3.29Å; S279-T282 WeakPolarHBondContact O-CB 3.48Å; S279-T282 PolarHBondContact O-N 2.91Å; T282-Y286 VanDerWaalsContact O-CB 3.22Å; T282-Y286 WeakPolarHBondContact O-CB 3.44Å; T282-Y286 PolarHBondContact O-N 3.32Å; T282-W323 HydrophobicContact CG2-CE3 4.24Å; T282-W323 HydrophobicContact CG2-CZ3 3.88Å |
| 283 | T | 91.6 | Very high | 79.9 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 179.6 | -77.1 | 0 | 0 | 0 | 0 | 112 | A278 S279 E280 L281 N287 | A278-T283 PolarHBondContact O-OG1 3.06Å; S279-T283 PolarHBondContact O-N 2.96Å; E280-T283 PolarHBondContact O-N 3.48Å; L281-T283 VanDerWaalsContact C-N 3.28Å; L281-T283 PolarHBondContact O-N 2.84Å; T283-N287 WeakPolarHBondContact CG2-ND2 3.45Å; T283-N287 WeakPolarHBondContact O-CB 3.42Å; T283-N287 PolarHBondContact O-N 3.23Å; T283-N287 PolarHBondContact O-ND2 3.41Å |
| 284 | A | 92.1 | Very high | 82.3 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.1 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E280 L281 N287 N288 L363 | E280-A284 VanDerWaalsContact O-CB 3.23Å; E280-A284 WeakPolarHBondContact O-CB 3.13Å; E280-A284 PolarHBondContact O-N 3.33Å; L281-A284 PolarHBondContact O-N 3.48Å; A284-N287 CarbonylContact O-C 3.57Å; A284-N287 PolarHBondContact O-N 2.78Å; A284-N288 PolarHBondContact O-N 3.28Å; A284-L363 HydrophobicContact CB-CD2 4.07Å |
| 285 | A | 95.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -53 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L281 N287 N288 F289 W323 A367 L370 V371 | L281-A285 VanDerWaalsContact O-CB 3.29Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 2.9Å; A285-N287 VanDerWaalsContact C-N 3.26Å; A285-N287 PolarHBondContact O-N 3.26Å; A285-N288 PolarHBondContact O-N 3.27Å; A285-F289 PolarHBondContact O-N 2.04Å; A285-W323 HydrophobicContact CB-CH2 3.56Å; A285-W323 HydrophobicContact CB-CZ2 4.03Å; A285-A367 HydrophobicContact CB-CB 4.12Å; A285-L370 HydrophobicContact CB-CB 3.91Å; A285-L370 HydrophobicContact CB-CD1 4.19Å; A285-V371 HydrophobicContact CB-CG2 3.97Å; A285-V371 WeakPolarHBondContact O-CG2 2.95Å |
| 286 | Y | 95.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.3 | -41.7 | 173 | 172.4 | -102.3 | 0 | 0 | 0 | 112.3 | T282 N288 F289 V290 W323 L326 H331 R334 | T282-Y286 VanDerWaalsContact O-CB 3.22Å; T282-Y286 WeakPolarHBondContact O-CB 3.44Å; T282-Y286 PolarHBondContact O-N 3.32Å; Y286-N288 PolarHBondContact O-N 3.19Å; Y286-F289 PolarHBondContact O-N 3.4Å; Y286-V290 HydrophobicContact CD2-CG2 3.96Å; Y286-V290 HydrophobicContact CE1-CG2 4.14Å; Y286-V290 HydrophobicContact CE2-CG2 3.53Å; Y286-V290 HydrophobicContact CG-CG2 4.45Å; Y286-V290 WeakPolarHBondContact O-CG2 3.48Å; Y286-V290 PolarHBondContact O-N 2.84Å; Y286-W323 HydrophobicContact CD2-CB 4.34Å; Y286-W323 AromaticContact CD2-CD1 3.7Å; Y286-W323 HydrophobicContact CD2-CD2 4.04Å; Y286-W323 AromaticContact CD2-CG 3.76Å; Y286-W323 HydrophobicContact CD2-CG 3.76Å; Y286-W323 AromaticContact CD2-NE1 3.94Å; Y286-W323 HydrophobicContact CE2-CG 4.45Å; Y286-L326 HydrophobicContact CD1-CD1 4.14Å; Y286-L326 HydrophobicContact CD2-CD1 3.41Å; Y286-L326 VanDerWaalsContact CD2-CD1 3.41Å; Y286-L326 HydrophobicContact CE1-CD1 4.26Å; Y286-L326 HydrophobicContact CE2-CD1 3.57Å; Y286-L326 HydrophobicContact CG-CD1 3.69Å; Y286-H331 AromaticContact CE2-CE1 3.9Å; Y286-H331 AromaticContact CE2-ND1 3.56Å; Y286-H331 AromaticContact CZ-ND1 3.67Å; Y286-H331 WeakPolarHBondContact OH-CA 3.35Å; Y286-H331 PolarHBondContact OH-ND1 3.27Å; Y286-R334 HydrophobicContact CE1-CB 4.14Å; Y286-R334 HydrophobicContact CE1-CG 3.76Å |
| 287 | N | 94.8 | Very high | 89 | Confident | 30 Ų | 30 | 39 Ų | 39 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -19.7 | 178 | -75.4 | -22.4 | 0 | 0 | 0 | 113.9 | T283 A284 A285 R291 R334 | T283-N287 WeakPolarHBondContact CG2-ND2 3.45Å; T283-N287 WeakPolarHBondContact O-CB 3.42Å; T283-N287 PolarHBondContact O-N 3.23Å; T283-N287 PolarHBondContact O-ND2 3.41Å; A284-N287 CarbonylContact O-C 3.57Å; A284-N287 PolarHBondContact O-N 2.78Å; A285-N287 VanDerWaalsContact C-N 3.26Å; A285-N287 PolarHBondContact O-N 3.26Å; N287-R291 WeakPolarHBondContact O-CD 3.37Å; N287-R291 VanDerWaalsContact O-CG 3.3Å; N287-R291 WeakPolarHBondContact O-CG 3.21Å; N287-R291 PolarHBondContact O-NH1 3.41Å; N287-R334 VanDerWaalsContact CG-NH2 3.28Å; N287-R334 PolarHBondContact OD1-NE 2.98Å; N287-R334 VanDerWaalsContact OD1-NE 3.11Å; N287-R334 PolarHBondContact OD1-NH1 3.44Å; N287-R334 PolarHBondContact OD1-NH2 3.3Å; N287-R334 VanDerWaalsContact OD1-NH2 3.1Å |
| 288 | N | 94.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -87.7 | -46.1 | 169.3 | -179 | -82.6 | 0 | 0 | 0 | 111.5 | A284 A285 Y286 V290 R291 R292 L363 V371 | A284-N288 PolarHBondContact O-N 3.28Å; A285-N288 PolarHBondContact O-N 3.27Å; Y286-N288 PolarHBondContact O-N 3.19Å; N288-V290 PolarHBondContact O-N 3.45Å; N288-R291 WeakPolarHBondContact O-CA 3.49Å; N288-R291 WeakPolarHBondContact O-CB 3.5Å; N288-R291 PolarHBondContact O-N 3.39Å; N288-R292 PolarHBondContact O-N 2.9Å; N288-R292 VanDerWaalsContact O-N 3.11Å; N288-R292 PolarHBondContact OD1-NH1 2.84Å; N288-L363 HydrophobicContact CB-CD1 3.84Å; N288-V371 HydrophobicContact CB-CG2 4.08Å |
| 289 | F | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.3 | -52.4 | 176 | 174.1 | -94 | 0 | 0 | 0 | 111.8 | A285 Y286 R291 R292 V293 I318 A322 W323 V371 A374 L375 V378 | A285-F289 PolarHBondContact O-N 2.04Å; Y286-F289 PolarHBondContact O-N 3.4Å; F289-R291 PolarHBondContact O-N 3.16Å; F289-R292 PolarHBondContact O-N 2.75Å; F289-R292 VanDerWaalsContact O-N 3.16Å; F289-V293 HydrophobicContact CD2-CG1 4.4Å; F289-V293 HydrophobicContact CE1-CG1 4.26Å; F289-V293 HydrophobicContact CE1-CG2 4.27Å; F289-V293 HydrophobicContact CE2-CG1 3.97Å; F289-V293 HydrophobicContact CZ-CG1 3.89Å; F289-V293 PolarHBondContact O-N 3.38Å; F289-V293 VanDerWaalsContact O-N 3.08Å; F289-I318 HydrophobicContact CZ-CG2 4.1Å; F289-A322 HydrophobicContact CE1-CB 3.83Å; F289-A322 HydrophobicContact CE2-CB 3.88Å; F289-A322 HydrophobicContact CZ-CB 3.36Å; F289-W323 HydrophobicContact CB-CZ2 4.48Å; F289-W323 AromaticContact CD1-CD1 3.8Å; F289-W323 AromaticContact CD1-NE1 3.42Å; F289-W323 AromaticContact CE1-CD1 3.97Å; F289-W323 AromaticContact CE1-NE1 3.96Å; F289-W323 AromaticContact CG-NE1 3.47Å; F289-V371 HydrophobicContact CB-CG2 4.47Å; F289-A374 HydrophobicContact CD2-CB 3.79Å; F289-A374 HydrophobicContact CE2-CB 3.93Å; F289-L375 HydrophobicContact CD2-CD2 3.97Å; F289-L375 HydrophobicContact CD2-CG 4.11Å; F289-L375 HydrophobicContact CE2-CD2 3.9Å; F289-L375 HydrophobicContact CE2-CG 4.27Å; F289-V378 HydrophobicContact CE2-CG2 3.96Å; F289-V378 HydrophobicContact CZ-CG2 4Å |
| 290 | V | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -24.8 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 112.8 | Y286 N288 V294 R334 I335 | Y286-V290 HydrophobicContact CD2-CG2 3.96Å; Y286-V290 HydrophobicContact CE1-CG2 4.14Å; Y286-V290 HydrophobicContact CE2-CG2 3.53Å; Y286-V290 HydrophobicContact CG-CG2 4.45Å; Y286-V290 WeakPolarHBondContact O-CG2 3.48Å; Y286-V290 PolarHBondContact O-N 2.84Å; N288-V290 PolarHBondContact O-N 3.45Å; V290-V294 HydrophobicContact CG1-CG2 4.21Å; V290-V294 VanDerWaalsContact O-CB 3.29Å; V290-V294 WeakPolarHBondContact O-CB 3.45Å; V290-V294 WeakPolarHBondContact O-CG2 3.21Å; V290-V294 PolarHBondContact O-N 2.87Å; V290-R334 HydrophobicContact CB-CG 4.16Å; V290-R334 HydrophobicContact CG1-CG 3.79Å; V290-R334 HydrophobicContact CG2-CG 4.22Å; V290-I335 HydrophobicContact CG1-CG1 4.04Å |
| 291 | R | 94.4 | Very high | 93.7 | Very high | 84 Ų | 84 | 32.2 Ų | 32.2 | 32% | 0.317 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.4 | -47.3 | 173.3 | -69.6 | 170.9 | 175.5 | 139.7 | -8.1 | 110.9 | N287 N288 F289 D295 Y338 | N287-R291 WeakPolarHBondContact O-CD 3.37Å; N287-R291 VanDerWaalsContact O-CG 3.3Å; N287-R291 WeakPolarHBondContact O-CG 3.21Å; N287-R291 PolarHBondContact O-NH1 3.41Å; N288-R291 WeakPolarHBondContact O-CA 3.49Å; N288-R291 WeakPolarHBondContact O-CB 3.5Å; N288-R291 PolarHBondContact O-N 3.39Å; F289-R291 PolarHBondContact O-N 3.16Å; R291-D295 WeakPolarHBondContact O-CB 3.28Å; R291-D295 PolarHBondContact O-N 3.08Å; R291-Y338 HydrophobicContact CB-CE1 4.11Å; R291-Y338 HydrophobicContact CB-CE2 4.38Å; R291-Y338 HydrophobicContact CG-CD2 4.11Å; R291-Y338 HydrophobicContact CG-CE1 4.18Å; R291-Y338 HydrophobicContact CG-CE2 3.73Å; R291-Y338 HydrophobicContact CG-CG 4.5Å |
| 292 | R | 94.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 32.6 Ų | 32.6 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.2 | -58 | -178.9 | -72.9 | -176.1 | 160 | 148.6 | -6 | 111.4 | N288 F289 V294 D295 D296 E357 | N288-R292 PolarHBondContact O-N 2.9Å; N288-R292 VanDerWaalsContact O-N 3.11Å; N288-R292 PolarHBondContact OD1-NH1 2.84Å; F289-R292 PolarHBondContact O-N 2.75Å; F289-R292 VanDerWaalsContact O-N 3.16Å; R292-V294 PolarHBondContact O-N 3.49Å; R292-V294 VanDerWaalsContact O-N 3.12Å; R292-D295 PolarHBondContact O-N 3.05Å; R292-D296 VanDerWaalsContact O-CG 3.31Å; R292-D296 PolarHBondContact O-N 3.17Å; R292-D296 VanDerWaalsContact O-OD2 3.14Å; R292-E357 IonicContact CZ-OE1 3.92Å; R292-E357 IonicContact NE-OE1 3.21Å; R292-E357 IonicContact NH2-OE1 3.63Å; R292-E357 PolarHBondContact NH2-OE1 2.93Å |
| 293 | V | 95.5 | Very high | 94 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -28.7 | -177.2 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | F289 T297 L315 L375 L382 | F289-V293 HydrophobicContact CD2-CG1 4.4Å; F289-V293 HydrophobicContact CE1-CG1 4.26Å; F289-V293 HydrophobicContact CE1-CG2 4.27Å; F289-V293 HydrophobicContact CE2-CG1 3.97Å; F289-V293 HydrophobicContact CZ-CG1 3.89Å; F289-V293 PolarHBondContact O-N 3.38Å; F289-V293 VanDerWaalsContact O-N 3.08Å; V293-T297 WeakPolarHBondContact O-CB 3.27Å; V293-T297 WeakPolarHBondContact O-CG2 3.39Å; V293-T297 PolarHBondContact O-N 2.97Å; V293-T297 PolarHBondContact O-OG1 3.48Å; V293-L315 HydrophobicContact CB-CD2 4.02Å; V293-L315 HydrophobicContact CG2-CD2 3.91Å; V293-L375 HydrophobicContact CG1-CD2 3.94Å; V293-L382 HydrophobicContact CB-CD1 3.89Å; V293-L382 HydrophobicContact CG1-CD1 3.91Å; V293-L382 HydrophobicContact CG1-CD2 4.16Å |
| 294 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.6 | -43.2 | 173.7 | 167.6 | 0 | 0 | 0 | 0 | 111.8 | V290 R292 D296 T297 L298 L315 I335 Y338 L339 | V290-V294 HydrophobicContact CG1-CG2 4.21Å; V290-V294 VanDerWaalsContact O-CB 3.29Å; V290-V294 WeakPolarHBondContact O-CB 3.45Å; V290-V294 WeakPolarHBondContact O-CG2 3.21Å; V290-V294 PolarHBondContact O-N 2.87Å; R292-V294 PolarHBondContact O-N 3.49Å; R292-V294 VanDerWaalsContact O-N 3.12Å; V294-D296 VanDerWaalsContact C-N 3.25Å; V294-D296 PolarHBondContact O-N 3.49Å; V294-T297 PolarHBondContact O-N 3.27Å; V294-L298 HydrophobicContact CG1-CB 4.35Å; V294-L298 HydrophobicContact CG1-CD1 4.2Å; V294-L298 HydrophobicContact CG2-CD1 4.47Å; V294-L298 PolarHBondContact O-N 3.22Å; V294-L315 HydrophobicContact CG2-CD1 4.23Å; V294-I335 HydrophobicContact CG2-CG1 4.21Å; V294-I335 HydrophobicContact CG2-CG2 4.09Å; V294-Y338 HydrophobicContact CB-CD1 3.81Å; V294-Y338 HydrophobicContact CB-CE1 3.91Å; V294-Y338 HydrophobicContact CG1-CD1 3.61Å; V294-Y338 HydrophobicContact CG1-CE1 3.76Å; V294-Y338 HydrophobicContact CG2-CD1 4.31Å; V294-L339 HydrophobicContact CG1-CD2 3.82Å; V294-L339 HydrophobicContact CG1-CG 4.29Å |
| 295 | D | 92.5 | Very high | 94.4 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 29% | 0.289 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -29.5 | 178 | -80 | 22.8 | 0 | 0 | 0 | 112.5 | R291 R292 R300 Y338 | R291-D295 WeakPolarHBondContact O-CB 3.28Å; R291-D295 PolarHBondContact O-N 3.08Å; R292-D295 PolarHBondContact O-N 3.05Å; D295-R300 WeakPolarHBondContact OD1-CD 3.19Å; D295-R300 IonicContact OD1-NH1 3.85Å; D295-R300 IonicContact OD2-CZ 2.64Å; D295-R300 IonicContact OD2-NH1 2.98Å; D295-R300 PolarHBondContact OD2-NH1 3.3Å; D295-Y338 VanDerWaalsContact CG-OH 3.22Å; D295-Y338 WeakPolarHBondContact OD1-CE1 3.45Å; D295-Y338 VanDerWaalsContact OD1-CZ 3.24Å; D295-Y338 PolarHBondContact OD1-OH 3.03Å; D295-Y338 PolarHBondContact OD2-OH 3.36Å |
| 296 | D | 92.1 | Very high | 94.3 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 47% | 0.465 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -19 | 179.3 | -68.9 | -36.6 | 0 | 0 | 0 | 114.4 | R292 V294 | R292-D296 VanDerWaalsContact O-CG 3.31Å; R292-D296 PolarHBondContact O-N 3.17Å; R292-D296 VanDerWaalsContact O-OD2 3.14Å; V294-D296 VanDerWaalsContact C-N 3.25Å; V294-D296 PolarHBondContact O-N 3.49Å |
| 297 | T | 93.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -18 | -166.5 | 66.2 | 0 | 0 | 0 | 0 | 117 | V293 V294 L382 L385 S389 | V293-T297 WeakPolarHBondContact O-CB 3.27Å; V293-T297 WeakPolarHBondContact O-CG2 3.39Å; V293-T297 PolarHBondContact O-N 2.97Å; V293-T297 PolarHBondContact O-OG1 3.48Å; V294-T297 PolarHBondContact O-N 3.27Å; T297-L382 HydrophobicContact CG2-CD1 3.67Å; T297-L385 HydrophobicContact CG2-CD2 3.97Å; T297-L385 HydrophobicContact CG2-CG 4.06Å; T297-S389 WeakPolarHBondContact O-CB 2.94Å; T297-S389 PolarHBondContact O-OG 3.26Å |
| 298 | L | 95.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -123.6 | 155.3 | -177.6 | -60 | -173.6 | 0 | 0 | 0 | 112.9 | V294 R300 Q307 A311 I312 L315 I335 L339 | V294-L298 HydrophobicContact CG1-CB 4.35Å; V294-L298 HydrophobicContact CG1-CD1 4.2Å; V294-L298 HydrophobicContact CG2-CD1 4.47Å; V294-L298 PolarHBondContact O-N 3.22Å; L298-R300 PolarHBondContact O-N 3.36Å; L298-Q307 HydrophobicContact CD1-CG 4.48Å; L298-A311 HydrophobicContact CD2-CB 3.9Å; L298-I312 HydrophobicContact CD1-CD1 3.69Å; L298-I312 HydrophobicContact CD2-CD1 4.38Å; L298-L315 HydrophobicContact CD1-CD1 3.6Å; L298-L315 HydrophobicContact CD2-CD1 4.04Å; L298-L315 HydrophobicContact CG-CD1 3.68Å; L298-I335 HydrophobicContact CD1-CG2 4.18Å; L298-L339 HydrophobicContact CD1-CD1 4.01Å |
| 299 | D | 93.3 | Very high | 94.2 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | trans | -77.6 | 114.6 | 171 | -174.2 | -17.3 | 0 | 0 | 0 | 110.9 | T301 V302 Q307 | D299-T301 VanDerWaalsContact CG-OG1 3.22Å; D299-T301 PolarHBondContact O-N 3.08Å; D299-T301 WeakPolarHBondContact OD1-CA 3.49Å; D299-T301 VanDerWaalsContact OD1-CB 3.3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.29Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.49Å; D299-T301 PolarHBondContact OD1-N 3.3Å; D299-T301 PolarHBondContact OD1-OG1 3.13Å; D299-T301 PolarHBondContact OD2-OG1 3.37Å; D299-T301 VanDerWaalsContact OD2-OG1 3.1Å; D299-V302 HydrophobicContact CB-CB 4.13Å; D299-V302 HydrophobicContact CB-CG2 3.97Å; D299-V302 PolarHBondContact O-N 2.76Å; D299-V302 WeakPolarHBondContact OD2-CG2 3.43Å; D299-Q307 PolarHBondContact O-NE2 2.8Å | ||
| 300 | R | 93.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.1 | -179.1 | -51.7 | -176.5 | -60.5 | 175.9 | -2.2 | 114 | D295 L298 C342 R343 I353 | D295-R300 WeakPolarHBondContact OD1-CD 3.19Å; D295-R300 IonicContact OD1-NH1 3.85Å; D295-R300 IonicContact OD2-CZ 2.64Å; D295-R300 IonicContact OD2-NH1 2.98Å; D295-R300 PolarHBondContact OD2-NH1 3.3Å; L298-R300 PolarHBondContact O-N 3.36Å; R300-C342 HydrophobicContact CB-CB 4.13Å; R300-R343 WeakPolarHBondContact O-CG 3.24Å; R300-I353 HydrophobicContact CB-CD1 4.37Å |
| 301 | T | 90.6 | Very high | 94 | Very high | 70 Ų | 70 | 57.7 Ų | 57.7 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -29.4 | 176.3 | 75 | 0 | 0 | 0 | 0 | 113.3 | D299 R343 I353 | D299-T301 VanDerWaalsContact CG-OG1 3.22Å; D299-T301 PolarHBondContact O-N 3.08Å; D299-T301 WeakPolarHBondContact OD1-CA 3.49Å; D299-T301 VanDerWaalsContact OD1-CB 3.3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.29Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.49Å; D299-T301 PolarHBondContact OD1-N 3.3Å; D299-T301 PolarHBondContact OD1-OG1 3.13Å; D299-T301 PolarHBondContact OD2-OG1 3.37Å; D299-T301 VanDerWaalsContact OD2-OG1 3.1Å; T301-R343 WeakPolarHBondContact O-CD 3.3Å; T301-R343 VanDerWaalsContact O-CG 3.22Å; T301-R343 WeakPolarHBondContact O-CG 3.48Å; T301-I353 HydrophobicContact CG2-CD1 4.05Å; T301-I353 HydrophobicContact CG2-CG2 3.94Å |
| 302 | V | 92.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -84.8 | 147.5 | -171.7 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | D299 E306 Q307 R343 | D299-V302 HydrophobicContact CB-CB 4.13Å; D299-V302 HydrophobicContact CB-CG2 3.97Å; D299-V302 PolarHBondContact O-N 2.76Å; D299-V302 WeakPolarHBondContact OD2-CG2 3.43Å; V302-E306 HydrophobicContact CG1-CB 3.4Å; V302-Q307 PolarHBondContact O-NE2 2.83Å; V302-Q307 VanDerWaalsContact O-NE2 3.14Å; V302-R343 WeakPolarHBondContact O-CD 3.47Å |
| 303 | T | 94.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | trans | -73.6 | 153.9 | -179.2 | 82.4 | 0 | 0 | 0 | 0 | 112 | C305 E306 Q307 R343 | T303-C305 PolarHBondContact O-N 3.08Å; T303-E306 WeakPolarHBondContact CA-OE2 2.98Å; T303-E306 WeakPolarHBondContact CB-OE2 3.09Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.44Å; T303-E306 PolarHBondContact N-OE2 2.93Å; T303-E306 PolarHBondContact O-N 3.31Å; T303-E306 WeakPolarHBondContact OG1-CG 3.34Å; T303-E306 PolarHBondContact OG1-OE2 2.72Å; T303-Q307 WeakPolarHBondContact O-CG 3.44Å; T303-Q307 PolarHBondContact O-N 3.13Å; T303-R343 VanDerWaalsContact CB-NH1 3.27Å | ||
| 304 | F | 95.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.3 | 178.5 | -179.5 | -86.8 | 0 | 0 | 0 | 114.1 | I312 R332 I335 R336 L339 | F304-I312 HydrophobicContact CD2-CD1 4.23Å; F304-I312 HydrophobicContact CE2-CD1 3.99Å; F304-I312 HydrophobicContact CE2-CG2 3.98Å; F304-I312 HydrophobicContact CZ-CG2 3.72Å; F304-R332 HydrophobicContact CZ-CG 3.93Å; F304-I335 HydrophobicContact CD2-CG2 4.26Å; F304-I335 HydrophobicContact CE2-CB 4.42Å; F304-I335 HydrophobicContact CE2-CG2 4.07Å; F304-R336 HydrophobicContact CB-CB 4.42Å; F304-R336 HydrophobicContact CB-CG 4.01Å; F304-R336 HydrophobicContact CD1-CG 4.34Å; F304-R336 HydrophobicContact CD2-CB 3.65Å; F304-R336 HydrophobicContact CD2-CG 4.14Å; F304-R336 HydrophobicContact CE2-CB 4.03Å; F304-R336 HydrophobicContact CG-CB 3.94Å; F304-R336 HydrophobicContact CG-CG 3.89Å; F304-L339 HydrophobicContact CB-CD1 4.46Å; F304-L339 HydrophobicContact CD2-CD1 4.31Å |
| 305 | C | 95.5 | Very high | 94.1 | Very high | 107 Ų | 107 | 55 Ų | 55 | 72% | 0.723 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -18.3 | -179.5 | -58.3 | 0 | 0 | 0 | 0 | 113.5 | T303 | T303-C305 PolarHBondContact O-N 3.08Š|
| 306 | E | 94.1 | Very high | 94.2 | Very high | 128 Ų | 128 | 53.4 Ų | 53.4 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -13.1 | -179.8 | -66.3 | 150.8 | 170.5 | 0 | 0 | 112.1 | V302 T303 | V302-E306 HydrophobicContact CG1-CB 3.4Å; T303-E306 WeakPolarHBondContact CA-OE2 2.98Å; T303-E306 WeakPolarHBondContact CB-OE2 3.09Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.44Å; T303-E306 PolarHBondContact N-OE2 2.93Å; T303-E306 PolarHBondContact O-N 3.31Å; T303-E306 WeakPolarHBondContact OG1-CG 3.34Å; T303-E306 PolarHBondContact OG1-OE2 2.72Å |
| 307 | Q | 94.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -60.1 | 146.2 | 172.5 | -61.2 | -65.6 | -27.9 | 0 | 0 | 110.8 | L298 D299 V302 T303 R309 I312 L339 | L298-Q307 HydrophobicContact CD1-CG 4.48Å; D299-Q307 PolarHBondContact O-NE2 2.8Å; V302-Q307 PolarHBondContact O-NE2 2.83Å; V302-Q307 VanDerWaalsContact O-NE2 3.14Å; T303-Q307 WeakPolarHBondContact O-CG 3.44Å; T303-Q307 PolarHBondContact O-N 3.13Å; Q307-R309 PolarHBondContact O-N 3.36Å; Q307-R309 VanDerWaalsContact O-N 3.15Å; Q307-I312 HydrophobicContact CB-CD1 3.77Å; Q307-I312 HydrophobicContact CB-CG1 3.72Å; Q307-I312 HydrophobicContact CG-CD1 4.05Å; Q307-L339 HydrophobicContact CG-CD1 3.96Å |
| 308 | P | 95.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | trans | -56.9 | 121.4 | 175.9 | -22.8 | 32.7 | 0 | 0 | 0 | 111.2 | H310 A311 I312 | P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 VanDerWaalsContact CB-CE1 3.4Å; P308-H310 WeakPolarHBondContact CB-CE1 3.23Å; P308-H310 PolarHBondContact O-N 3.19Å; P308-A311 HydrophobicContact CB-CB 4.17Å; P308-A311 WeakPolarHBondContact O-CB 3.15Å; P308-A311 PolarHBondContact O-N 3.5Å; P308-I312 PolarHBondContact O-N 3.49Å | ||
| 309 | R | 93.1 | Very high | 94.5 | Very high | 207 Ų | 207 | 52.7 Ų | 52.7 | 78% | 0.781 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.6 | -39.9 | -170.1 | -68.2 | -179.5 | -179.3 | -103.4 | -1.7 | 113.2 | Q307 A311 I312 T313 | Q307-R309 PolarHBondContact O-N 3.36Å; Q307-R309 VanDerWaalsContact O-N 3.15Å; R309-A311 VanDerWaalsContact C-N 3.32Å; R309-A311 PolarHBondContact O-N 3.18Å; R309-I312 PolarHBondContact O-N 3.28Å; R309-T313 PolarHBondContact O-N 2.82Å; R309-T313 PolarHBondContact O-OG1 2.83Å |
| 310 | H | 94 | Very high | 94.5 | Very high | 84 Ų | 84 | 51.3 Ų | 51.3 | 39% | 0.389 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 177.1 | 64.2 | -87.9 | 0 | 0 | 0 | 112.3 | P308 T313 A314 Q392 | P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 VanDerWaalsContact CB-CE1 3.4Å; P308-H310 WeakPolarHBondContact CB-CE1 3.23Å; P308-H310 PolarHBondContact O-N 3.19Å; H310-T313 PolarHBondContact O-N 2.97Å; H310-A314 VanDerWaalsContact O-CB 3.22Å; H310-A314 WeakPolarHBondContact O-CB 3.24Å; H310-A314 PolarHBondContact O-N 3.36Å; H310-Q392 PolarHBondContact CE1-NE2 3.47Å; H310-Q392 PolarHBondContact CE1-OE1 3.34Å; H310-Q392 PolarHBondContact NE2-NE2 2.95Å; H310-Q392 PolarHBondContact NE2-OE1 3.11Å |
| 311 | A | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L298 P308 R309 L315 L385 | L298-A311 HydrophobicContact CD2-CB 3.9Å; P308-A311 HydrophobicContact CB-CB 4.17Å; P308-A311 WeakPolarHBondContact O-CB 3.15Å; P308-A311 PolarHBondContact O-N 3.5Å; R309-A311 VanDerWaalsContact C-N 3.32Å; R309-A311 PolarHBondContact O-N 3.18Å; A311-L315 WeakPolarHBondContact O-CG 3.44Å; A311-L315 PolarHBondContact O-N 3.42Å; A311-L385 HydrophobicContact CB-CD1 3.85Å |
| 312 | I | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 171.4 | -65.2 | -60.8 | 0 | 0 | 0 | 111.2 | L298 F304 Q307 P308 R309 L315 E316 I335 | L298-I312 HydrophobicContact CD1-CD1 3.69Å; L298-I312 HydrophobicContact CD2-CD1 4.38Å; F304-I312 HydrophobicContact CD2-CD1 4.23Å; F304-I312 HydrophobicContact CE2-CD1 3.99Å; F304-I312 HydrophobicContact CE2-CG2 3.98Å; F304-I312 HydrophobicContact CZ-CG2 3.72Å; Q307-I312 HydrophobicContact CB-CD1 3.77Å; Q307-I312 HydrophobicContact CB-CG1 3.72Å; Q307-I312 HydrophobicContact CG-CD1 4.05Å; P308-I312 PolarHBondContact O-N 3.49Å; R309-I312 PolarHBondContact O-N 3.28Å; I312-L315 PolarHBondContact O-N 3.09Å; I312-E316 WeakPolarHBondContact O-CG 3.22Å; I312-E316 PolarHBondContact O-N 3.44Å; I312-I335 HydrophobicContact CD1-CG2 4.26Å |
| 313 | T | 94.8 | Very high | 94.8 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 179.3 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | R309 H310 E316 N317 | R309-T313 PolarHBondContact O-N 2.82Å; R309-T313 PolarHBondContact O-OG1 2.83Å; H310-T313 PolarHBondContact O-N 2.97Å; T313-E316 PolarHBondContact O-N 2.68Å; T313-N317 VanDerWaalsContact O-CG 3.32Å; T313-N317 PolarHBondContact O-N 3.31Å |
| 314 | A | 95.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H310 N317 I318 L385 | H310-A314 VanDerWaalsContact O-CB 3.22Å; H310-A314 WeakPolarHBondContact O-CB 3.24Å; H310-A314 PolarHBondContact O-N 3.36Å; A314-N317 PolarHBondContact O-N 3.07Å; A314-I318 WeakPolarHBondContact O-CB 3.38Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.26Å; A314-I318 PolarHBondContact O-N 3.47Å; A314-L385 HydrophobicContact CB-CD1 3.97Å; A314-L385 HydrophobicContact CB-CD2 3.99Å; A314-L385 HydrophobicContact CB-CG 4.46Å |
| 315 | L | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 173.8 | -76.9 | 175.1 | 0 | 0 | 0 | 113.5 | V293 V294 L298 A311 I312 N317 I318 C319 I335 L385 | V293-L315 HydrophobicContact CB-CD2 4.02Å; V293-L315 HydrophobicContact CG2-CD2 3.91Å; V294-L315 HydrophobicContact CG2-CD1 4.23Å; L298-L315 HydrophobicContact CD1-CD1 3.6Å; L298-L315 HydrophobicContact CD2-CD1 4.04Å; L298-L315 HydrophobicContact CG-CD1 3.68Å; A311-L315 WeakPolarHBondContact O-CG 3.44Å; A311-L315 PolarHBondContact O-N 3.42Å; I312-L315 PolarHBondContact O-N 3.09Å; L315-N317 VanDerWaalsContact C-N 3.33Å; L315-I318 HydrophobicContact CD2-CD1 4.45Å; L315-I318 PolarHBondContact O-N 3.46Å; L315-C319 WeakPolarHBondContact O-CB 3.47Å; L315-C319 PolarHBondContact O-N 3.36Å; L315-C319 PolarHBondContact O-SG 2.94Å; L315-I335 HydrophobicContact CB-CD1 3.92Å; L315-L385 HydrophobicContact CD2-CD2 3.83Å; L315-L385 HydrophobicContact CG-CD2 3.76Å |
| 316 | E | 95.2 | Very high | 93.8 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 174.4 | -74 | 166.8 | 169.9 | 0 | 0 | 110.6 | I312 T313 T320 R332 I335 | I312-E316 WeakPolarHBondContact O-CG 3.22Å; I312-E316 PolarHBondContact O-N 3.44Å; T313-E316 PolarHBondContact O-N 2.68Å; E316-T320 WeakPolarHBondContact O-CB 3.38Å; E316-T320 PolarHBondContact O-N 3.44Å; E316-T320 PolarHBondContact O-OG1 3.47Å; E316-R332 HydrophobicContact CG-CB 4.44Å; E316-R332 WeakPolarHBondContact OE1-CA 3.34Å; E316-R332 WeakPolarHBondContact OE1-CB 3.37Å; E316-R332 WeakPolarHBondContact OE1-CD 3.1Å; E316-R332 WeakPolarHBondContact OE1-CG 3.26Å; E316-R332 IonicContact OE1-CZ 3.68Å; E316-R332 IonicContact OE1-NE 3.88Å; E316-R332 IonicContact OE1-NH1 3.98Å; E316-R332 PolarHBondContact OE1-NH1 3.38Å; E316-R332 IonicContact OE2-NH1 2.69Å; E316-R332 PolarHBondContact OE2-NH1 2.92Å; E316-I335 HydrophobicContact CG-CD1 4.29Å |
| 317 | N | 95.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 173.9 | -66.8 | -11.1 | 0 | 0 | 0 | 112.7 | T313 A314 L315 C319 T320 R321 | T313-N317 VanDerWaalsContact O-CG 3.32Å; T313-N317 PolarHBondContact O-N 3.31Å; A314-N317 PolarHBondContact O-N 3.07Å; L315-N317 VanDerWaalsContact C-N 3.33Å; N317-C319 VanDerWaalsContact C-N 3.34Å; N317-C319 PolarHBondContact O-N 2.99Å; N317-T320 PolarHBondContact O-N 3.22Å; N317-R321 PolarHBondContact O-N 3.46Å |
| 318 | I | 95.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 176 | -76.2 | 165.1 | 0 | 0 | 0 | 110.8 | F289 A314 L315 R321 A322 V378 D381 L385 | F289-I318 HydrophobicContact CZ-CG2 4.1Å; A314-I318 WeakPolarHBondContact O-CB 3.38Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.26Å; A314-I318 PolarHBondContact O-N 3.47Å; L315-I318 HydrophobicContact CD2-CD1 4.45Å; L315-I318 PolarHBondContact O-N 3.46Å; I318-R321 PolarHBondContact O-N 2.8Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.16Å; I318-A322 PolarHBondContact O-N 2.87Å; I318-V378 HydrophobicContact CG2-CB 3.98Å; I318-V378 HydrophobicContact CG2-CG1 4.12Å; I318-V378 HydrophobicContact CG2-CG2 3.89Å; I318-D381 HydrophobicContact CD1-CB 3.94Å; I318-D381 HydrophobicContact CG1-CB 3.73Å; I318-L385 HydrophobicContact CD1-CB 4.47Å; I318-L385 HydrophobicContact CD1-CD2 3.94Å |
| 319 | C | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L315 N317 R321 A322 W323 H331 | L315-C319 WeakPolarHBondContact O-CB 3.47Å; L315-C319 PolarHBondContact O-N 3.36Å; L315-C319 PolarHBondContact O-SG 2.94Å; N317-C319 VanDerWaalsContact C-N 3.34Å; N317-C319 PolarHBondContact O-N 2.99Å; C319-R321 VanDerWaalsContact C-N 3.32Å; C319-R321 PolarHBondContact O-N 3.03Å; C319-A322 PolarHBondContact O-N 3.3Å; C319-W323 PolarHBondContact O-N 3.31Å; C319-H331 HydrophobicContact CB-CB 3.85Å; C319-H331 VanDerWaalsContact CB-CG 3.42Å |
| 320 | T | 94.5 | Very high | 92.1 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | E316 N317 W323 P324 V328 H331 | E316-T320 WeakPolarHBondContact O-CB 3.38Å; E316-T320 PolarHBondContact O-N 3.44Å; E316-T320 PolarHBondContact O-OG1 3.47Å; N317-T320 PolarHBondContact O-N 3.22Å; T320-W323 CarbonylContact O-C 3.54Å; T320-P324 WeakPolarHBondContact O-CA 3.49Å; T320-V328 HydrophobicContact CG2-CG2 3.94Å; T320-H331 WeakPolarHBondContact CA-NE2 2.95Å; T320-H331 PolarHBondContact N-NE2 3.43Å; T320-H331 PolarHBondContact OG1-CD2 2.99Å |
| 321 | R | 94.2 | Very high | 92.1 | Very high | 111 Ų | 111 | 46.4 Ų | 46.4 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -76.4 | -35.3 | 178.3 | -159.1 | 176.1 | 76.3 | -143.1 | 9.7 | 113.2 | N317 I318 C319 L377 D381 | N317-R321 PolarHBondContact O-N 3.46Å; I318-R321 PolarHBondContact O-N 2.8Å; C319-R321 VanDerWaalsContact C-N 3.32Å; C319-R321 PolarHBondContact O-N 3.03Å; R321-L377 HydrophobicContact CG-CD2 3.95Å; R321-L377 PolarHBondContact NH2-O 3.39Å; R321-L377 WeakPolarHBondContact O-CD2 3.23Å; R321-D381 IonicContact CZ-OD1 3.98Å; R321-D381 IonicContact CZ-OD2 3.11Å; R321-D381 IonicContact NH1-OD1 2.69Å; R321-D381 PolarHBondContact NH1-OD1 3.49Å; R321-D381 IonicContact NH1-OD2 2.69Å; R321-D381 PolarHBondContact NH1-OD2 3.43Å; R321-D381 IonicContact NH2-OD1 3.91Å; R321-D381 PolarHBondContact NH2-OD1 2.79Å; R321-D381 IonicContact NH2-OD2 2.95Å |
| 322 | A | 94.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72 | -32 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | F289 I318 C319 A374 V378 | F289-A322 HydrophobicContact CE1-CB 3.83Å; F289-A322 HydrophobicContact CE2-CB 3.88Å; F289-A322 HydrophobicContact CZ-CB 3.36Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.16Å; I318-A322 PolarHBondContact O-N 2.87Å; C319-A322 PolarHBondContact O-N 3.3Å; A322-A374 HydrophobicContact CB-CB 4.22Å; A322-V378 HydrophobicContact CB-CG1 3.87Å |
| 323 | W | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | trans | -136.6 | 66.2 | -175 | -61.5 | 88.1 | 0 | 0 | 0 | 111.7 | T282 A285 Y286 F289 C319 T320 Q325 L326 L370 A374 | T282-W323 HydrophobicContact CG2-CE3 4.24Å; T282-W323 HydrophobicContact CG2-CZ3 3.88Å; A285-W323 HydrophobicContact CB-CH2 3.56Å; A285-W323 HydrophobicContact CB-CZ2 4.03Å; Y286-W323 HydrophobicContact CD2-CB 4.34Å; Y286-W323 AromaticContact CD2-CD1 3.7Å; Y286-W323 HydrophobicContact CD2-CD2 4.04Å; Y286-W323 AromaticContact CD2-CG 3.76Å; Y286-W323 HydrophobicContact CD2-CG 3.76Å; Y286-W323 AromaticContact CD2-NE1 3.94Å; Y286-W323 HydrophobicContact CE2-CG 4.45Å; F289-W323 HydrophobicContact CB-CZ2 4.48Å; F289-W323 AromaticContact CD1-CD1 3.8Å; F289-W323 AromaticContact CD1-NE1 3.42Å; F289-W323 AromaticContact CE1-CD1 3.97Å; F289-W323 AromaticContact CE1-NE1 3.96Å; F289-W323 AromaticContact CG-NE1 3.47Å; C319-W323 PolarHBondContact O-N 3.31Å; T320-W323 CarbonylContact O-C 3.54Å; W323-Q325 PolarHBondContact O-N 2.74Å; W323-L326 HydrophobicContact CB-CD1 3.79Å; W323-L326 HydrophobicContact CB-CG 4.25Å; W323-L326 HydrophobicContact CG-CD1 4.25Å; W323-L326 PolarHBondContact O-N 2.83Å; W323-L326 VanDerWaalsContact O-N 3.12Å; W323-L370 HydrophobicContact CH2-CB 4.09Å; W323-L370 HydrophobicContact CH2-CD1 4.46Å; W323-A374 HydrophobicContact CZ2-CB 4.3Å | ||
| 324 | P | 89.8 | Confident | 92.1 | Very high | 102 Ų | 102 | 54.4 Ų | 54.4 | 66% | 0.662 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13.1 | -175.4 | 27.8 | -36.6 | 0 | 0 | 0 | 114.1 | T320 L326 | T320-P324 WeakPolarHBondContact O-CA 3.49Å; P324-L326 PolarHBondContact O-N 2.47Å |
| 325 | Q | 88.2 | Confident | 92.2 | Very high | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 12.7 | 174 | 71.5 | -148.5 | 80.3 | 0 | 0 | 114.3 | W323 | W323-Q325 PolarHBondContact O-N 2.74Š|
| 326 | L | 87.4 | Confident | 92.2 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -130.3 | 143 | -178.5 | -67.8 | 178.5 | 0 | 0 | 0 | 110.6 | Y286 W323 P324 V328 R330 | Y286-L326 HydrophobicContact CD1-CD1 4.14Å; Y286-L326 HydrophobicContact CD2-CD1 3.41Å; Y286-L326 VanDerWaalsContact CD2-CD1 3.41Å; Y286-L326 HydrophobicContact CE1-CD1 4.26Å; Y286-L326 HydrophobicContact CE2-CD1 3.57Å; Y286-L326 HydrophobicContact CG-CD1 3.69Å; W323-L326 HydrophobicContact CB-CD1 3.79Å; W323-L326 HydrophobicContact CB-CG 4.25Å; W323-L326 HydrophobicContact CG-CD1 4.25Å; W323-L326 PolarHBondContact O-N 2.83Å; W323-L326 VanDerWaalsContact O-N 3.12Å; P324-L326 PolarHBondContact O-N 2.47Å; L326-V328 PolarHBondContact O-N 3.3Å; L326-R330 VanDerWaalsContact CD2-NH1 3.34Å |
| 327 | E | 84.5 | Confident | 92.3 | Very high | 65 Ų | 65 | 59 Ų | 59 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | trans | -60.2 | 136.8 | 176.8 | -64.9 | -161.9 | 172 | 0 | 0 | 113.9 | M271 K329 R330 H331 | M271-E327 WeakPolarHBondContact CE-OE1 3.26Å; E327-K329 PolarHBondContact O-N 3.25Å; E327-R330 HydrophobicContact CB-CB 4.21Å; E327-R330 WeakPolarHBondContact O-CA 3.41Å; E327-R330 WeakPolarHBondContact O-CB 3.47Å; E327-R330 PolarHBondContact O-N 2.29Å; E327-H331 PolarHBondContact O-N 2.81Å | ||
| 328 | V | 82.1 | Confident | 92.4 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.1 | -37.8 | 172.9 | -173.4 | 0 | 0 | 0 | 0 | 112 | T320 L326 R330 H331 | T320-V328 HydrophobicContact CG2-CG2 3.94Å; L326-V328 PolarHBondContact O-N 3.3Å; V328-R330 PolarHBondContact O-N 3.28Å; V328-H331 PolarHBondContact O-N 3.44Å |
| 329 | K | 83.8 | Confident | 92.4 | Very high | 144 Ų | 144 | 55.1 Ų | 55.1 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -57.3 | -36.9 | 174.4 | -67.1 | 177.1 | -175.1 | 166.4 | 0 | 112 | E327 T333 | E327-K329 PolarHBondContact O-N 3.25Å; K329-T333 PolarHBondContact O-N 3.15Å; K329-T333 PolarHBondContact O-OG1 3.1Å |
| 330 | R | 90.2 | Very high | 92.4 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -35.3 | -178.7 | -167.6 | -172.7 | 173.5 | -126.3 | 0.1 | 112.1 | L275 L326 E327 V328 T333 R334 | L275-R330 VanDerWaalsContact CD1-NE 3.35Å; L326-R330 VanDerWaalsContact CD2-NH1 3.34Å; E327-R330 HydrophobicContact CB-CB 4.21Å; E327-R330 WeakPolarHBondContact O-CA 3.41Å; E327-R330 WeakPolarHBondContact O-CB 3.47Å; E327-R330 PolarHBondContact O-N 2.29Å; V328-R330 PolarHBondContact O-N 3.28Å; R330-T333 PolarHBondContact O-N 2.84Å; R330-R334 WeakPolarHBondContact O-CB 3.43Å; R330-R334 PolarHBondContact O-N 3.05Å |
| 331 | H | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -52.5 | 176.8 | -57.6 | -35.9 | 0 | 0 | 0 | 111.6 | Y286 C319 T320 E327 V328 T333 R334 I335 | Y286-H331 AromaticContact CE2-CE1 3.9Å; Y286-H331 AromaticContact CE2-ND1 3.56Å; Y286-H331 AromaticContact CZ-ND1 3.67Å; Y286-H331 WeakPolarHBondContact OH-CA 3.35Å; Y286-H331 PolarHBondContact OH-ND1 3.27Å; C319-H331 HydrophobicContact CB-CB 3.85Å; C319-H331 VanDerWaalsContact CB-CG 3.42Å; T320-H331 WeakPolarHBondContact CA-NE2 2.95Å; T320-H331 PolarHBondContact N-NE2 3.43Å; T320-H331 PolarHBondContact OG1-CD2 2.99Å; E327-H331 PolarHBondContact O-N 2.81Å; V328-H331 PolarHBondContact O-N 3.44Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.27Å; H331-R334 PolarHBondContact O-N 2.88Å; H331-R334 VanDerWaalsContact O-N 3.09Å; H331-I335 WeakPolarHBondContact O-CG1 3.07Å; H331-I335 PolarHBondContact O-N 2.97Å |
| 332 | R | 94.3 | Very high | 92.3 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.4 | -46.3 | 176.2 | -175.1 | 159.8 | -171.3 | 88.5 | -10.5 | 112.5 | F304 E316 R336 | F304-R332 HydrophobicContact CZ-CG 3.93Å; E316-R332 HydrophobicContact CG-CB 4.44Å; E316-R332 WeakPolarHBondContact OE1-CA 3.34Å; E316-R332 WeakPolarHBondContact OE1-CB 3.37Å; E316-R332 WeakPolarHBondContact OE1-CD 3.1Å; E316-R332 WeakPolarHBondContact OE1-CG 3.26Å; E316-R332 IonicContact OE1-CZ 3.68Å; E316-R332 IonicContact OE1-NE 3.88Å; E316-R332 IonicContact OE1-NH1 3.98Å; E316-R332 PolarHBondContact OE1-NH1 3.38Å; E316-R332 IonicContact OE2-NH1 2.69Å; E316-R332 PolarHBondContact OE2-NH1 2.92Å; R332-R336 WeakPolarHBondContact O-CB 3.24Å; R332-R336 PolarHBondContact O-N 3.37Å; R332-R336 VanDerWaalsContact O-N 3.14Å |
| 333 | T | 94.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.6 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | K329 R330 H331 A337 | K329-T333 PolarHBondContact O-N 3.15Å; K329-T333 PolarHBondContact O-OG1 3.1Å; R330-T333 PolarHBondContact O-N 2.84Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.27Å; T333-A337 VanDerWaalsContact O-CB 3.28Å; T333-A337 WeakPolarHBondContact O-CB 3.32Å; T333-A337 PolarHBondContact O-N 3.34Å |
| 334 | R | 95.4 | Very high | 92.1 | Very high | 65 Ų | 65 | 64 Ų | 64 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 178.1 | -174.3 | 68.2 | -170.6 | 177.8 | -0.4 | 112.5 | Y286 N287 V290 R330 H331 R336 A337 Y338 | Y286-R334 HydrophobicContact CE1-CB 4.14Å; Y286-R334 HydrophobicContact CE1-CG 3.76Å; N287-R334 VanDerWaalsContact CG-NH2 3.28Å; N287-R334 PolarHBondContact OD1-NE 2.98Å; N287-R334 VanDerWaalsContact OD1-NE 3.11Å; N287-R334 PolarHBondContact OD1-NH1 3.44Å; N287-R334 PolarHBondContact OD1-NH2 3.3Å; N287-R334 VanDerWaalsContact OD1-NH2 3.1Å; V290-R334 HydrophobicContact CB-CG 4.16Å; V290-R334 HydrophobicContact CG1-CG 3.79Å; V290-R334 HydrophobicContact CG2-CG 4.22Å; R330-R334 WeakPolarHBondContact O-CB 3.43Å; R330-R334 PolarHBondContact O-N 3.05Å; H331-R334 PolarHBondContact O-N 2.88Å; H331-R334 VanDerWaalsContact O-N 3.09Å; R334-R336 PolarHBondContact O-N 3.39Å; R334-A337 PolarHBondContact O-N 3.35Å; R334-Y338 PolarHBondContact O-N 3.16Å |
| 335 | I | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.5 | -65.2 | 162.9 | 0 | 0 | 0 | 109.8 | V290 V294 L298 F304 I312 L315 E316 H331 A337 Y338 L339 | V290-I335 HydrophobicContact CG1-CG1 4.04Å; V294-I335 HydrophobicContact CG2-CG1 4.21Å; V294-I335 HydrophobicContact CG2-CG2 4.09Å; L298-I335 HydrophobicContact CD1-CG2 4.18Å; F304-I335 HydrophobicContact CD2-CG2 4.26Å; F304-I335 HydrophobicContact CE2-CB 4.42Å; F304-I335 HydrophobicContact CE2-CG2 4.07Å; I312-I335 HydrophobicContact CD1-CG2 4.26Å; L315-I335 HydrophobicContact CB-CD1 3.92Å; E316-I335 HydrophobicContact CG-CD1 4.29Å; H331-I335 WeakPolarHBondContact O-CG1 3.07Å; H331-I335 PolarHBondContact O-N 2.97Å; I335-A337 PolarHBondContact O-N 3.29Å; I335-Y338 PolarHBondContact O-N 3.05Å; I335-L339 HydrophobicContact CG2-CD1 4.28Å; I335-L339 PolarHBondContact O-N 3.22Å |
| 336 | R | 96.7 | Very high | 91.4 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 175.7 | -174.1 | -175 | -59.4 | 133.2 | 3.9 | 112.7 | F304 R332 R334 K340 | F304-R336 HydrophobicContact CB-CB 4.42Å; F304-R336 HydrophobicContact CB-CG 4.01Å; F304-R336 HydrophobicContact CD1-CG 4.34Å; F304-R336 HydrophobicContact CD2-CB 3.65Å; F304-R336 HydrophobicContact CD2-CG 4.14Å; F304-R336 HydrophobicContact CE2-CB 4.03Å; F304-R336 HydrophobicContact CG-CB 3.94Å; F304-R336 HydrophobicContact CG-CG 3.89Å; R332-R336 WeakPolarHBondContact O-CB 3.24Å; R332-R336 PolarHBondContact O-N 3.37Å; R332-R336 VanDerWaalsContact O-N 3.14Å; R334-R336 PolarHBondContact O-N 3.39Å; R336-K340 VanDerWaalsContact O-CB 3.27Å; R336-K340 WeakPolarHBondContact O-CB 3.23Å; R336-K340 PolarHBondContact O-N 3.22Å |
| 337 | A | 96.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T333 R334 I335 K340 A341 | T333-A337 VanDerWaalsContact O-CB 3.28Å; T333-A337 WeakPolarHBondContact O-CB 3.32Å; T333-A337 PolarHBondContact O-N 3.34Å; R334-A337 PolarHBondContact O-N 3.35Å; I335-A337 PolarHBondContact O-N 3.29Å; A337-K340 WeakPolarHBondContact O-CB 3.47Å; A337-K340 PolarHBondContact O-N 3.41Å; A337-A341 PolarHBondContact O-N 3.17Å |
| 338 | Y | 97.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 68.9 Ų | 68.9 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.7 | -49.2 | 178.8 | -178.9 | -129.8 | 0 | 0 | 0 | 112.1 | R291 V294 D295 R334 I335 K340 A341 C342 | R291-Y338 HydrophobicContact CB-CE1 4.11Å; R291-Y338 HydrophobicContact CB-CE2 4.38Å; R291-Y338 HydrophobicContact CG-CD2 4.11Å; R291-Y338 HydrophobicContact CG-CE1 4.18Å; R291-Y338 HydrophobicContact CG-CE2 3.73Å; R291-Y338 HydrophobicContact CG-CG 4.5Å; V294-Y338 HydrophobicContact CB-CD1 3.81Å; V294-Y338 HydrophobicContact CB-CE1 3.91Å; V294-Y338 HydrophobicContact CG1-CD1 3.61Å; V294-Y338 HydrophobicContact CG1-CE1 3.76Å; V294-Y338 HydrophobicContact CG2-CD1 4.31Å; D295-Y338 VanDerWaalsContact CG-OH 3.22Å; D295-Y338 WeakPolarHBondContact OD1-CE1 3.45Å; D295-Y338 VanDerWaalsContact OD1-CZ 3.24Å; D295-Y338 PolarHBondContact OD1-OH 3.03Å; D295-Y338 PolarHBondContact OD2-OH 3.36Å; R334-Y338 PolarHBondContact O-N 3.16Å; I335-Y338 PolarHBondContact O-N 3.05Å; Y338-K340 PolarHBondContact O-N 3.42Å; Y338-A341 WeakPolarHBondContact O-CA 3.37Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.38Å; Y338-C342 VanDerWaalsContact CE2-SG 3.52Å; Y338-C342 PolarHBondContact O-N 3.38Å; Y338-C342 PolarHBondContact O-SG 2.99Å; Y338-C342 VanDerWaalsContact O-SG 3.41Å |
| 339 | L | 96.2 | Very high | 90 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.4 | -32.3 | 172.2 | -68.2 | 174.5 | 0 | 0 | 0 | 112.4 | V294 L298 F304 Q307 I335 R343 | V294-L339 HydrophobicContact CG1-CD2 3.82Å; V294-L339 HydrophobicContact CG1-CG 4.29Å; L298-L339 HydrophobicContact CD1-CD1 4.01Å; F304-L339 HydrophobicContact CB-CD1 4.46Å; F304-L339 HydrophobicContact CD2-CD1 4.31Å; Q307-L339 HydrophobicContact CG-CD1 3.96Å; I335-L339 HydrophobicContact CG2-CD1 4.28Å; I335-L339 PolarHBondContact O-N 3.22Å; L339-R343 WeakPolarHBondContact O-CG 2.96Å; L339-R343 PolarHBondContact O-N 2.78Å; L339-R343 PolarHBondContact O-NE 2.72Å |
| 340 | K | 95.8 | Very high | 89.1 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 48% | 0.478 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.3 | -31.5 | 173.6 | -169.6 | 176 | -175.9 | 177.2 | 0 | 112 | R336 A337 Y338 R344 | R336-K340 VanDerWaalsContact O-CB 3.27Å; R336-K340 WeakPolarHBondContact O-CB 3.23Å; R336-K340 PolarHBondContact O-N 3.22Å; A337-K340 WeakPolarHBondContact O-CB 3.47Å; A337-K340 PolarHBondContact O-N 3.41Å; Y338-K340 PolarHBondContact O-N 3.42Å; K340-R344 WeakPolarHBondContact O-CB 3.37Å; K340-R344 WeakPolarHBondContact O-CD 3.42Å; K340-R344 WeakPolarHBondContact O-CG 3.45Å; K340-R344 PolarHBondContact O-N 3.03Å |
| 341 | A | 93.2 | Very high | 87.7 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.7 | -47.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A337 Y338 R343 R344 N345 | A337-A341 PolarHBondContact O-N 3.17Å; Y338-A341 WeakPolarHBondContact O-CA 3.37Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.38Å; A341-R343 PolarHBondContact O-N 3.21Å; A341-R344 WeakPolarHBondContact O-CB 3.23Å; A341-R344 PolarHBondContact O-N 3.45Å; A341-R344 VanDerWaalsContact O-N 3.13Å; A341-N345 PolarHBondContact O-N 2.83Å |
| 342 | C | 93.3 | Very high | 86 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.4 | -49.7 | 179.1 | -61 | 0 | 0 | 0 | 0 | 111.8 | R300 Y338 R344 N345 S346 | R300-C342 HydrophobicContact CB-CB 4.13Å; Y338-C342 VanDerWaalsContact CE2-SG 3.52Å; Y338-C342 PolarHBondContact O-N 3.38Å; Y338-C342 PolarHBondContact O-SG 2.99Å; Y338-C342 VanDerWaalsContact O-SG 3.41Å; C342-R344 PolarHBondContact O-N 2.81Å; C342-N345 PolarHBondContact O-N 2.86Å; C342-S346 PolarHBondContact O-N 3.41Å |
| 343 | R | 93.3 | Very high | 84.4 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 175.8 | -68.6 | 175.8 | -68 | 144.7 | -4.5 | 113.7 | R300 T301 V302 T303 L339 A341 N345 K347 | R300-R343 WeakPolarHBondContact O-CG 3.24Å; T301-R343 WeakPolarHBondContact O-CD 3.3Å; T301-R343 VanDerWaalsContact O-CG 3.22Å; T301-R343 WeakPolarHBondContact O-CG 3.48Å; V302-R343 WeakPolarHBondContact O-CD 3.47Å; T303-R343 VanDerWaalsContact CB-NH1 3.27Å; L339-R343 WeakPolarHBondContact O-CG 2.96Å; L339-R343 PolarHBondContact O-N 2.78Å; L339-R343 PolarHBondContact O-NE 2.72Å; A341-R343 PolarHBondContact O-N 3.21Å; R343-N345 VanDerWaalsContact C-N 3.33Å; R343-K347 WeakPolarHBondContact O-CG 3.46Å; R343-K347 PolarHBondContact O-N 2.68Å |
| 344 | R | 90.3 | Very high | 82.5 | Confident | 159 Ų | 159 | 75.1 Ų | 75.1 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.4 | -37.7 | 174.5 | -85 | 171.7 | 165.1 | -175.8 | -8.1 | 111.9 | K340 A341 C342 K348 | K340-R344 WeakPolarHBondContact O-CB 3.37Å; K340-R344 WeakPolarHBondContact O-CD 3.42Å; K340-R344 WeakPolarHBondContact O-CG 3.45Å; K340-R344 PolarHBondContact O-N 3.03Å; A341-R344 WeakPolarHBondContact O-CB 3.23Å; A341-R344 PolarHBondContact O-N 3.45Å; A341-R344 VanDerWaalsContact O-N 3.13Å; C342-R344 PolarHBondContact O-N 2.81Å; R344-K348 PolarHBondContact O-N 3.37Å |
| 345 | N | 85.5 | Confident | 80.7 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -83.3 | -34.9 | -176.6 | -67.3 | -18.7 | 0 | 0 | 0 | 112.4 | A341 C342 R343 K347 K348 N349 M355 | A341-N345 PolarHBondContact O-N 2.83Å; C342-N345 PolarHBondContact O-N 2.86Å; R343-N345 VanDerWaalsContact C-N 3.33Å; N345-K347 VanDerWaalsContact C-N 3.3Å; N345-K347 PolarHBondContact O-N 2.76Å; N345-K348 WeakPolarHBondContact O-CB 3.38Å; N345-K348 PolarHBondContact O-N 3.46Å; N345-K348 VanDerWaalsContact O-N 3.09Å; N345-N349 WeakPolarHBondContact O-CB 3.48Å; N345-N349 PolarHBondContact O-N 3.25Å; N345-M355 HydrophobicContact CB-SD 3.89Å; N345-M355 PolarHBondContact ND2-SD 3.3Å |
| 346 | S | 78.3 | Confident | 78.6 | Confident | 20 Ų | 20 | 84.6 Ų | 84.6 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -52.8 | -45.9 | 166.9 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | C342 K348 N349 K350 G351 | C342-S346 PolarHBondContact O-N 3.41Å; S346-K348 VanDerWaalsContact C-N 3.28Å; S346-K348 PolarHBondContact O-N 2.94Å; S346-N349 CarbonylContact O-C 3.4Å; S346-N349 PolarHBondContact O-N 3.14Å; S346-N349 VanDerWaalsContact O-N 3.12Å; S346-K350 PolarHBondContact O-N 2.69Å; S346-G351 WeakPolarHBondContact O-CA 3.36Å; S346-G351 PolarHBondContact O-N 3.44Å; S346-G351 VanDerWaalsContact OG-C 3.26Å; S346-G351 WeakPolarHBondContact OG-CA 3.22Å; S346-G351 PolarHBondContact OG-O 2.89Å |
| 347 | K | 76.1 | Confident | 76.4 | Confident | 184 Ų | 184 | 85 Ų | 85 | 80% | 0.8 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.7 | -27.6 | 178 | -71.2 | -174.1 | 179.5 | -165.4 | 0 | 113.9 | R343 N345 | R343-K347 WeakPolarHBondContact O-CG 3.46Å; R343-K347 PolarHBondContact O-N 2.68Å; N345-K347 VanDerWaalsContact C-N 3.3Å; N345-K347 PolarHBondContact O-N 2.76Å |
| 348 | K | 76.5 | Confident | 74.3 | Confident | 158 Ų | 158 | 85 Ų | 85 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -77 | -39.6 | 171.3 | -67.8 | 176.5 | 176.8 | -177 | 0 | 111.5 | R344 N345 S346 K350 | R344-K348 PolarHBondContact O-N 3.37Å; N345-K348 WeakPolarHBondContact O-CB 3.38Å; N345-K348 PolarHBondContact O-N 3.46Å; N345-K348 VanDerWaalsContact O-N 3.09Å; S346-K348 VanDerWaalsContact C-N 3.28Å; S346-K348 PolarHBondContact O-N 2.94Å; K348-K350 VanDerWaalsContact C-N 3.31Å; K348-K350 PolarHBondContact O-N 2.88Å |
| 349 | N | 71.8 | Confident | 72 | Confident | 73 Ų | 73 | 88.5 Ų | 88.5 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 34.5 | -172.1 | -60.2 | -5.5 | 0 | 0 | 0 | 112.7 | N345 S346 G351 Q352 | N345-N349 WeakPolarHBondContact O-CB 3.48Å; N345-N349 PolarHBondContact O-N 3.25Å; S346-N349 CarbonylContact O-C 3.4Å; S346-N349 PolarHBondContact O-N 3.14Å; S346-N349 VanDerWaalsContact O-N 3.12Å; N349-G351 VanDerWaalsContact C-N 3.25Å; N349-G351 PolarHBondContact O-N 2.81Å; N349-G351 VanDerWaalsContact O-N 3.16Å; N349-Q352 HydrophobicContact CB-CB 4.19Å; N349-Q352 VanDerWaalsContact O-CB 3.26Å; N349-Q352 WeakPolarHBondContact O-CB 3.49Å; N349-Q352 PolarHBondContact O-N 2.75Å |
| 350 | K | 65.6 | Low | 70 | Confident | 212 Ų | 212 | 90.8 Ų | 90.8 | 92% | 0.922 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38 | 174 | -56.7 | 169 | -177.4 | 172.3 | 0 | 113.9 | S346 K348 | S346-K350 PolarHBondContact O-N 2.69Å; K348-K350 VanDerWaalsContact C-N 3.31Å; K348-K350 PolarHBondContact O-N 2.88Å |
| 351 | G | 59.4 | Low | 68 | Low | 48 Ų | 48 | 91.1 Ų | 91.1 | 50% | 0.495 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -23 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S346 N349 I353 | S346-G351 WeakPolarHBondContact O-CA 3.36Å; S346-G351 PolarHBondContact O-N 3.44Å; S346-G351 VanDerWaalsContact OG-C 3.26Å; S346-G351 WeakPolarHBondContact OG-CA 3.22Å; S346-G351 PolarHBondContact OG-O 2.89Å; N349-G351 VanDerWaalsContact C-N 3.25Å; N349-G351 PolarHBondContact O-N 2.81Å; N349-G351 VanDerWaalsContact O-N 3.16Å; G351-I353 PolarHBondContact O-N 2.92Å |
| 352 | Q | 59.9 | Low | 67 | Low | 111 Ų | 111 | 92.4 Ų | 92.4 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | trans | -70.3 | 104.3 | -173.8 | -158.8 | -178.2 | 18.1 | 0 | 0 | 111.9 | N349 N354 | N349-Q352 HydrophobicContact CB-CB 4.19Å; N349-Q352 VanDerWaalsContact O-CB 3.26Å; N349-Q352 WeakPolarHBondContact O-CB 3.49Å; N349-Q352 PolarHBondContact O-N 2.75Å; Q352-N354 HydrophobicContact CG-CB 3.84Å; Q352-N354 PolarHBondContact NE2-ND2 3.16Å; Q352-N354 PolarHBondContact O-N 2.68Å | ||
| 353 | I | 59.5 | Low | 66.6 | Low | 41 Ų | 41 | 93.7 Ų | 93.7 | 21% | 0.21 | 48% | 0.482 | C | S | . | . | trans | -69 | 24.1 | 170.6 | 50.1 | 169.4 | 0 | 0 | 0 | 113.6 | R300 T301 G351 M355 | R300-I353 HydrophobicContact CB-CD1 4.37Å; T301-I353 HydrophobicContact CG2-CD1 4.05Å; T301-I353 HydrophobicContact CG2-CG2 3.94Å; G351-I353 PolarHBondContact O-N 2.92Å; I353-M355 PolarHBondContact O-N 3Å | ||
| 354 | N | 56.3 | Low | 66.4 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | trans | -78.2 | 77.2 | 174.5 | -71.5 | 24.2 | 0 | 0 | 0 | 109.3 | Q352 K356 | Q352-N354 HydrophobicContact CG-CB 3.84Å; Q352-N354 PolarHBondContact NE2-ND2 3.16Å; Q352-N354 PolarHBondContact O-N 2.68Å; N354-K356 VanDerWaalsContact C-N 3.32Å; N354-K356 PolarHBondContact O-N 3.21Å; N354-K356 VanDerWaalsContact O-N 3.1Å | ||
| 355 | M | 56.7 | Low | 66.4 | Low | 70 Ų | 70 | 91.1 Ų | 91.1 | 35% | 0.345 | 49% | 0.488 | S | S | . | . | trans | -55.4 | 106.4 | 139.7 | -62.7 | -56.4 | -62 | 0 | 0 | 105.8 | N345 I353 E357 | N345-M355 HydrophobicContact CB-SD 3.89Å; N345-M355 PolarHBondContact ND2-SD 3.3Å; I353-M355 PolarHBondContact O-N 3Å; M355-E357 PolarHBondContact O-N 3.33Å | ||
| 356 | K | 51.7 | Low | 66.7 | Low | 194 Ų | 194 | 94 Ų | 94 | 84% | 0.843 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 128.3 | 166 | -176.3 | 176.1 | -179.2 | 179.2 | 0 | 106 | N354 | N354-K356 VanDerWaalsContact C-N 3.32Å; N354-K356 PolarHBondContact O-N 3.21Å; N354-K356 VanDerWaalsContact O-N 3.1Å |
| 357 | E | 51.5 | Low | 67.4 | Low | 107 Ų | 107 | 93.1 Ų | 93.1 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 132.5 | -178.8 | -169.9 | -179.9 | 175.5 | 0 | 0 | 108.2 | R292 M355 | R292-E357 IonicContact CZ-OE1 3.92Å; R292-E357 IonicContact NE-OE1 3.21Å; R292-E357 IonicContact NH2-OE1 3.63Å; R292-E357 PolarHBondContact NH2-OE1 2.93Å; M355-E357 PolarHBondContact O-N 3.33Å |
| 358 | P | 52.2 | Low | 68.2 | Low | 48 Ų | 48 | 88.5 Ų | 88.5 | 31% | 0.312 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 120.7 | 173 | -21.4 | 32 | 0 | 0 | 0 | 107 | A360 | P358-A360 PolarHBondContact O-N 3.14Š|
| 359 | P | 49.5 | Very low | 69.1 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 132.5 | -172.9 | 21.2 | -32.7 | 0 | 0 | 0 | 108.6 | N361 G362 | P359-N361 PolarHBondContact O-N 2.84Å; P359-G362 WeakPolarHBondContact O-CA 3.24Å; P359-G362 PolarHBondContact O-N 2.89Å |
| 360 | A | 52.9 | Low | 70.2 | Confident | 48 Ų | 48 | 85.6 Ų | 85.6 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -57.9 | -26 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P358 G362 R368 | P358-A360 PolarHBondContact O-N 3.14Å; A360-G362 VanDerWaalsContact C-N 3.32Å; A360-R368 PolarHBondContact O-NH1 3.37Å |
| 361 | N | 54.3 | Low | 71.6 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -68.2 | -21.5 | 173.6 | -46.5 | 70.3 | 0 | 0 | 0 | 113.8 | P359 L363 | P359-N361 PolarHBondContact O-N 2.84Å; N361-L363 PolarHBondContact O-N 2.6Å; N361-L363 VanDerWaalsContact O-N 3.14Å |
| 362 | G | 72.2 | Confident | 73.3 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -80 | 21.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P359 A360 | P359-G362 WeakPolarHBondContact O-CA 3.24Å; P359-G362 PolarHBondContact O-N 2.89Å; A360-G362 VanDerWaalsContact C-N 3.32Å |
| 363 | L | 84.3 | Confident | 74.9 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 15% | 0.147 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -128.4 | 153.9 | 169.4 | -72.6 | 173.2 | 0 | 0 | 0 | 107.7 | A284 N288 N361 A367 R368 | A284-L363 HydrophobicContact CB-CD2 4.07Å; N288-L363 HydrophobicContact CB-CD1 3.84Å; N361-L363 PolarHBondContact O-N 2.6Å; N361-L363 VanDerWaalsContact O-N 3.14Å; L363-A367 HydrophobicContact CB-CB 4.2Å; L363-A367 HydrophobicContact CD2-CB 4.22Å; L363-R368 HydrophobicContact CB-CG 4.06Å; L363-R368 HydrophobicContact CD1-CG 4.26Å; L363-R368 PolarHBondContact O-NH1 3.41Å |
| 364 | S | 90.3 | Very high | 76.7 | Confident | 58 Ų | 58 | 77 Ų | 77 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | trans | -64.6 | 160.6 | 165.7 | 67.6 | 0 | 0 | 0 | 0 | 110.8 | L281 E366 A367 R368 | L281-S364 WeakPolarHBondContact CD1-OG 3.33Å; S364-E366 VanDerWaalsContact C-N 3.28Å; S364-E366 PolarHBondContact O-N 3Å; S364-A367 PolarHBondContact O-N 3.16Å; S364-A367 VanDerWaalsContact OG-CB 3.27Å; S364-A367 WeakPolarHBondContact OG-CB 3.12Å; S364-A367 PolarHBondContact OG-N 3.43Å; S364-R368 PolarHBondContact O-N 3.25Å | ||
| 365 | I | 90.1 | Very high | 78.5 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 54% | 0.538 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.1 | -177.1 | 58.4 | 0 | 0 | 0 | 111.4 | A367 R368 Q369 | I365-A367 PolarHBondContact O-N 2.87Å; I365-R368 WeakPolarHBondContact O-CB 3.15Å; I365-R368 PolarHBondContact O-N 2.74Å; I365-R368 VanDerWaalsContact O-N 3.17Å; I365-Q369 WeakPolarHBondContact O-CG 3.25Å; I365-Q369 PolarHBondContact O-N 3.46Å |
| 366 | E | 91.5 | Very high | 80.4 | Confident | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.1 | -173.2 | -172.1 | -170.2 | 0 | 0 | 112 | L281 S364 R368 Q369 L370 | L281-E366 HydrophobicContact CD1-CB 3.79Å; L281-E366 HydrophobicContact CD1-CG 3.82Å; L281-E366 WeakPolarHBondContact CD1-OE2 3.46Å; L281-E366 HydrophobicContact CD2-CG 3.81Å; L281-E366 VanDerWaalsContact CD2-OE1 3.26Å; L281-E366 WeakPolarHBondContact CD2-OE1 3.32Å; L281-E366 WeakPolarHBondContact CD2-OE2 3.22Å; L281-E366 HydrophobicContact CG-CG 4.37Å; S364-E366 VanDerWaalsContact C-N 3.28Å; S364-E366 PolarHBondContact O-N 3Å; E366-R368 VanDerWaalsContact C-N 3.32Å; E366-R368 PolarHBondContact O-N 3.2Å; E366-Q369 WeakPolarHBondContact O-CB 3.29Å; E366-Q369 PolarHBondContact O-N 3.49Å; E366-Q369 VanDerWaalsContact O-N 3.17Å; E366-L370 WeakPolarHBondContact O-CG 3.26Å; E366-L370 PolarHBondContact O-N 3.04Å |
| 367 | A | 93.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.008 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L281 A285 L363 S364 I365 V371 | L281-A367 HydrophobicContact CD1-CB 3.91Å; A285-A367 HydrophobicContact CB-CB 4.12Å; L363-A367 HydrophobicContact CB-CB 4.2Å; L363-A367 HydrophobicContact CD2-CB 4.22Å; S364-A367 PolarHBondContact O-N 3.16Å; S364-A367 VanDerWaalsContact OG-CB 3.27Å; S364-A367 WeakPolarHBondContact OG-CB 3.12Å; S364-A367 PolarHBondContact OG-N 3.43Å; I365-A367 PolarHBondContact O-N 2.87Å; A367-V371 WeakPolarHBondContact O-CG2 3.36Å; A367-V371 PolarHBondContact O-N 3.49Å; A367-V371 VanDerWaalsContact O-N 3.11Å |
| 368 | R | 92.6 | Very high | 84.6 | Confident | 87 Ų | 87 | 66 Ų | 66 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 170.1 | -72.6 | -171 | -73.5 | -83.9 | -5.8 | 111.6 | A360 L363 S364 I365 E366 V371 S372 | A360-R368 PolarHBondContact O-NH1 3.37Å; L363-R368 HydrophobicContact CB-CG 4.06Å; L363-R368 HydrophobicContact CD1-CG 4.26Å; L363-R368 PolarHBondContact O-NH1 3.41Å; S364-R368 PolarHBondContact O-N 3.25Å; I365-R368 WeakPolarHBondContact O-CB 3.15Å; I365-R368 PolarHBondContact O-N 2.74Å; I365-R368 VanDerWaalsContact O-N 3.17Å; E366-R368 VanDerWaalsContact C-N 3.32Å; E366-R368 PolarHBondContact O-N 3.2Å; R368-V371 PolarHBondContact O-N 3.2Å; R368-S372 WeakPolarHBondContact O-CB 3.3Å; R368-S372 PolarHBondContact O-N 3.47Å |
| 369 | Q | 94.6 | Very high | 86.6 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.8 | -71.4 | 167.5 | -18.8 | 0 | 0 | 111.8 | I365 E366 V371 S372 K373 | I365-Q369 WeakPolarHBondContact O-CG 3.25Å; I365-Q369 PolarHBondContact O-N 3.46Å; E366-Q369 WeakPolarHBondContact O-CB 3.29Å; E366-Q369 PolarHBondContact O-N 3.49Å; E366-Q369 VanDerWaalsContact O-N 3.17Å; Q369-V371 PolarHBondContact O-N 3.47Å; Q369-S372 PolarHBondContact O-N 3.05Å; Q369-K373 WeakPolarHBondContact O-CB 3.43Å; Q369-K373 PolarHBondContact O-N 3.38Å |
| 370 | L | 94.8 | Very high | 88.7 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 173.5 | -73.3 | 177.4 | 0 | 0 | 0 | 112.2 | L281 A285 W323 E366 A374 | L281-L370 HydrophobicContact CD2-CD1 3.71Å; L281-L370 HydrophobicContact CG-CD1 3.9Å; A285-L370 HydrophobicContact CB-CB 3.91Å; A285-L370 HydrophobicContact CB-CD1 4.19Å; W323-L370 HydrophobicContact CH2-CB 4.09Å; W323-L370 HydrophobicContact CH2-CD1 4.46Å; E366-L370 WeakPolarHBondContact O-CG 3.26Å; E366-L370 PolarHBondContact O-N 3.04Å; L370-A374 VanDerWaalsContact O-CB 3.23Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.06Å |
| 371 | V | 95.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | A285 N288 F289 A367 R368 Q369 A374 L375 | A285-V371 HydrophobicContact CB-CG2 3.97Å; A285-V371 WeakPolarHBondContact O-CG2 2.95Å; N288-V371 HydrophobicContact CB-CG2 4.08Å; F289-V371 HydrophobicContact CB-CG2 4.47Å; A367-V371 WeakPolarHBondContact O-CG2 3.36Å; A367-V371 PolarHBondContact O-N 3.49Å; A367-V371 VanDerWaalsContact O-N 3.11Å; R368-V371 PolarHBondContact O-N 3.2Å; Q369-V371 PolarHBondContact O-N 3.47Å; V371-A374 PolarHBondContact O-N 3.44Å; V371-L375 HydrophobicContact CG1-CD1 3.79Å; V371-L375 HydrophobicContact CG1-CG 4.31Å; V371-L375 WeakPolarHBondContact O-CB 3.4Å; V371-L375 VanDerWaalsContact O-CG 3.31Å; V371-L375 WeakPolarHBondContact O-CG 3.24Å; V371-L375 PolarHBondContact O-N 2.64Å |
| 372 | S | 94.5 | Very high | 92.7 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 178.6 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | R368 Q369 A374 L375 T376 | R368-S372 WeakPolarHBondContact O-CB 3.3Å; R368-S372 PolarHBondContact O-N 3.47Å; Q369-S372 PolarHBondContact O-N 3.05Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 3.28Å; S372-L375 PolarHBondContact O-N 3.1Å; S372-T376 PolarHBondContact O-N 2.64Å; S372-T376 PolarHBondContact O-OG1 2.9Å; S372-T376 VanDerWaalsContact O-OG1 3.06Å |
| 373 | K | 95.3 | Very high | 93.7 | Very high | 155 Ų | 155 | 59.4 Ų | 59.4 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 176.9 | -176.4 | 173.2 | -178.2 | 175.4 | 0 | 112.1 | Q369 L377 | Q369-K373 WeakPolarHBondContact O-CB 3.43Å; Q369-K373 PolarHBondContact O-N 3.38Å; K373-L377 WeakPolarHBondContact O-CB 3.47Å; K373-L377 PolarHBondContact O-N 3.15Å; K373-L377 VanDerWaalsContact O-N 3.1Å |
| 374 | A | 96 | Very high | 94.2 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F289 A322 W323 L370 V371 S372 L377 V378 | F289-A374 HydrophobicContact CD2-CB 3.79Å; F289-A374 HydrophobicContact CE2-CB 3.93Å; A322-A374 HydrophobicContact CB-CB 4.22Å; W323-A374 HydrophobicContact CZ2-CB 4.3Å; L370-A374 VanDerWaalsContact O-CB 3.23Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.06Å; V371-A374 PolarHBondContact O-N 3.44Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 3.28Å; A374-L377 PolarHBondContact O-N 3.12Å; A374-V378 WeakPolarHBondContact O-CG2 3.21Å; A374-V378 PolarHBondContact O-N 2.9Å |
| 375 | L | 95.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.1 | -73.3 | 169.6 | 0 | 0 | 0 | 112 | F289 V293 V371 S372 L377 V378 A379 L382 | F289-L375 HydrophobicContact CD2-CD2 3.97Å; F289-L375 HydrophobicContact CD2-CG 4.11Å; F289-L375 HydrophobicContact CE2-CD2 3.9Å; F289-L375 HydrophobicContact CE2-CG 4.27Å; V293-L375 HydrophobicContact CG1-CD2 3.94Å; V371-L375 HydrophobicContact CG1-CD1 3.79Å; V371-L375 HydrophobicContact CG1-CG 4.31Å; V371-L375 WeakPolarHBondContact O-CB 3.4Å; V371-L375 VanDerWaalsContact O-CG 3.31Å; V371-L375 WeakPolarHBondContact O-CG 3.24Å; V371-L375 PolarHBondContact O-N 2.64Å; S372-L375 PolarHBondContact O-N 3.1Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 2.66Å; L375-V378 CarbonylContact O-C 3.52Å; L375-V378 PolarHBondContact O-N 2.73Å; L375-V378 VanDerWaalsContact O-N 3.11Å; L375-A379 PolarHBondContact O-N 2.82Å; L375-L382 HydrophobicContact CD2-CD2 4.24Å |
| 376 | T | 95.6 | Very high | 94.4 | Very high | 103 Ų | 103 | 61.9 Ų | 61.9 | 63% | 0.632 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.7 | -40.2 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | S372 V378 A379 | S372-T376 PolarHBondContact O-N 2.64Å; S372-T376 PolarHBondContact O-OG1 2.9Å; S372-T376 VanDerWaalsContact O-OG1 3.06Å; T376-V378 VanDerWaalsContact C-N 3.27Å; T376-V378 PolarHBondContact O-N 2.78Å; T376-A379 PolarHBondContact O-N 3.01Å |
| 377 | L | 95.5 | Very high | 94.2 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.9 | -20.1 | 179.5 | -171.1 | 146.7 | 0 | 0 | 0 | 113.9 | R321 K373 A374 L375 | R321-L377 HydrophobicContact CG-CD2 3.95Å; R321-L377 PolarHBondContact NH2-O 3.39Å; R321-L377 WeakPolarHBondContact O-CD2 3.23Å; K373-L377 WeakPolarHBondContact O-CB 3.47Å; K373-L377 PolarHBondContact O-N 3.15Å; K373-L377 VanDerWaalsContact O-N 3.1Å; A374-L377 PolarHBondContact O-N 3.12Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 2.66Å |
| 378 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -115.4 | 7.5 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 114.7 | F289 I318 A322 A374 L375 T376 G380 D381 L382 | F289-V378 HydrophobicContact CE2-CG2 3.96Å; F289-V378 HydrophobicContact CZ-CG2 4Å; I318-V378 HydrophobicContact CG2-CB 3.98Å; I318-V378 HydrophobicContact CG2-CG1 4.12Å; I318-V378 HydrophobicContact CG2-CG2 3.89Å; A322-V378 HydrophobicContact CB-CG1 3.87Å; A374-V378 WeakPolarHBondContact O-CG2 3.21Å; A374-V378 PolarHBondContact O-N 2.9Å; L375-V378 CarbonylContact O-C 3.52Å; L375-V378 PolarHBondContact O-N 2.73Å; L375-V378 VanDerWaalsContact O-N 3.11Å; T376-V378 VanDerWaalsContact C-N 3.27Å; T376-V378 PolarHBondContact O-N 2.78Å; V378-G380 PolarHBondContact O-N 3.14Å; V378-D381 PolarHBondContact O-N 3.44Å; V378-D381 VanDerWaalsContact O-N 3.15Å; V378-L382 WeakPolarHBondContact O-CB 3.26Å; V378-L382 PolarHBondContact O-N 3.23Å |
| 379 | A | 94.7 | Very high | 93.3 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52.7 | -49.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L375 T376 D381 L382 D383 | L375-A379 PolarHBondContact O-N 2.82Å; T376-A379 PolarHBondContact O-N 3.01Å; A379-D381 PolarHBondContact O-N 3.04Å; A379-L382 PolarHBondContact O-N 3.26Å; A379-D383 VanDerWaalsContact O-CB 3.3Å; A379-D383 WeakPolarHBondContact O-CB 3.32Å; A379-D383 PolarHBondContact O-N 3.17Å |
| 380 | G | 94.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V378 Y384 | V378-G380 PolarHBondContact O-N 3.14Å; G380-Y384 VanDerWaalsContact O-CB 3.32Å; G380-Y384 WeakPolarHBondContact O-CB 3.04Å; G380-Y384 PolarHBondContact O-N 2.92Å |
| 381 | D | 95.1 | Very high | 90.7 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.5 | -37.9 | 176.8 | -67.3 | 57.3 | 0 | 0 | 0 | 111.8 | I318 R321 V378 A379 D383 Y384 L385 | I318-D381 HydrophobicContact CD1-CB 3.94Å; I318-D381 HydrophobicContact CG1-CB 3.73Å; R321-D381 IonicContact CZ-OD1 3.98Å; R321-D381 IonicContact CZ-OD2 3.11Å; R321-D381 IonicContact NH1-OD1 2.69Å; R321-D381 PolarHBondContact NH1-OD1 3.49Å; R321-D381 IonicContact NH1-OD2 2.69Å; R321-D381 PolarHBondContact NH1-OD2 3.43Å; R321-D381 IonicContact NH2-OD1 3.91Å; R321-D381 PolarHBondContact NH2-OD1 2.79Å; R321-D381 IonicContact NH2-OD2 2.95Å; V378-D381 PolarHBondContact O-N 3.44Å; V378-D381 VanDerWaalsContact O-N 3.15Å; A379-D381 PolarHBondContact O-N 3.04Å; D381-D383 VanDerWaalsContact C-N 3.35Å; D381-Y384 PolarHBondContact O-N 3.17Å; D381-L385 VanDerWaalsContact O-CB 3.24Å; D381-L385 WeakPolarHBondContact O-CB 3.41Å; D381-L385 PolarHBondContact O-N 2.87Å |
| 382 | L | 95.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 176.3 | -171.7 | 66.5 | 0 | 0 | 0 | 110.8 | V293 T297 L375 V378 A379 R386 | V293-L382 HydrophobicContact CB-CD1 3.89Å; V293-L382 HydrophobicContact CG1-CD1 3.91Å; V293-L382 HydrophobicContact CG1-CD2 4.16Å; T297-L382 HydrophobicContact CG2-CD1 3.67Å; L375-L382 HydrophobicContact CD2-CD2 4.24Å; V378-L382 WeakPolarHBondContact O-CB 3.26Å; V378-L382 PolarHBondContact O-N 3.23Å; A379-L382 PolarHBondContact O-N 3.26Å; L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.01Å |
| 383 | D | 93.6 | Very high | 86.9 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 174 | -72.6 | -9.3 | 0 | 0 | 0 | 111.9 | A379 D381 R386 Q387 | A379-D383 VanDerWaalsContact O-CB 3.3Å; A379-D383 WeakPolarHBondContact O-CB 3.32Å; A379-D383 PolarHBondContact O-N 3.17Å; D381-D383 VanDerWaalsContact C-N 3.35Å; D383-R386 VanDerWaalsContact CG-NH2 3.31Å; D383-R386 IonicContact OD1-CZ 3.24Å; D383-R386 IonicContact OD1-NH1 2.64Å; D383-R386 PolarHBondContact OD1-NH1 3.04Å; D383-R386 IonicContact OD1-NH2 2.68Å; D383-R386 PolarHBondContact OD1-NH2 3.42Å; D383-R386 IonicContact OD2-NH2 2.92Å; D383-Q387 VanDerWaalsContact O-CG 3.3Å; D383-Q387 WeakPolarHBondContact O-CG 3.2Å; D383-Q387 PolarHBondContact O-N 3.11Å; D383-Q387 PolarHBondContact O-NE2 3.21Å |
| 384 | Y | 94 | Very high | 84.7 | Confident | 160 Ų | 160 | 64 Ų | 64 | 63% | 0.627 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62 | -50.2 | 174 | 176.6 | -101.1 | 0 | 0 | 0 | 111.2 | G380 D381 R386 Q387 V388 | G380-Y384 VanDerWaalsContact O-CB 3.32Å; G380-Y384 WeakPolarHBondContact O-CB 3.04Å; G380-Y384 PolarHBondContact O-N 2.92Å; D381-Y384 PolarHBondContact O-N 3.17Å; Y384-R386 VanDerWaalsContact C-N 3.35Å; Y384-R386 PolarHBondContact O-N 2.98Å; Y384-Q387 WeakPolarHBondContact O-CB 3.16Å; Y384-Q387 PolarHBondContact O-N 2.86Å; Y384-Q387 VanDerWaalsContact O-N 3.14Å; Y384-V388 HydrophobicContact CD1-CG2 4.43Å; Y384-V388 HydrophobicContact CE1-CG2 4.03Å; Y384-V388 HydrophobicContact CE2-CG2 4.31Å; Y384-V388 WeakPolarHBondContact O-CG2 3.38Å; Y384-V388 PolarHBondContact O-N 3.24Å |
| 385 | L | 93.8 | Very high | 82.4 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.7 | 176.7 | 57.9 | 0 | 0 | 0 | 111.7 | T297 A311 A314 L315 I318 D381 Q387 V388 S389 | T297-L385 HydrophobicContact CG2-CD2 3.97Å; T297-L385 HydrophobicContact CG2-CG 4.06Å; A311-L385 HydrophobicContact CB-CD1 3.85Å; A314-L385 HydrophobicContact CB-CD1 3.97Å; A314-L385 HydrophobicContact CB-CD2 3.99Å; A314-L385 HydrophobicContact CB-CG 4.46Å; L315-L385 HydrophobicContact CD2-CD2 3.83Å; L315-L385 HydrophobicContact CG-CD2 3.76Å; I318-L385 HydrophobicContact CD1-CB 4.47Å; I318-L385 HydrophobicContact CD1-CD2 3.94Å; D381-L385 VanDerWaalsContact O-CB 3.24Å; D381-L385 WeakPolarHBondContact O-CB 3.41Å; D381-L385 PolarHBondContact O-N 2.87Å; L385-Q387 VanDerWaalsContact C-N 3.29Å; L385-Q387 PolarHBondContact O-N 3.32Å; L385-V388 PolarHBondContact O-N 3.06Å; L385-S389 WeakPolarHBondContact O-CB 3.38Å; L385-S389 PolarHBondContact O-N 2.78Å; L385-S389 PolarHBondContact O-OG 2.68Å |
| 386 | R | 90.8 | Very high | 80.2 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -37 | 175.6 | -175.7 | 177.8 | 67.7 | -111.7 | -0.3 | 112 | L382 D383 Y384 K390 | L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.01Å; D383-R386 VanDerWaalsContact CG-NH2 3.31Å; D383-R386 IonicContact OD1-CZ 3.24Å; D383-R386 IonicContact OD1-NH1 2.64Å; D383-R386 PolarHBondContact OD1-NH1 3.04Å; D383-R386 IonicContact OD1-NH2 2.68Å; D383-R386 PolarHBondContact OD1-NH2 3.42Å; D383-R386 IonicContact OD2-NH2 2.92Å; Y384-R386 VanDerWaalsContact C-N 3.35Å; Y384-R386 PolarHBondContact O-N 2.98Å; R386-K390 HydrophobicContact CG-CD 4.07Å; R386-K390 VanDerWaalsContact O-CB 3.32Å; R386-K390 WeakPolarHBondContact O-CB 3.48Å; R386-K390 VanDerWaalsContact O-CG 3.24Å; R386-K390 WeakPolarHBondContact O-CG 3.47Å; R386-K390 PolarHBondContact O-N 3.2Å; R386-K390 VanDerWaalsContact O-N 3.12Å |
| 387 | Q | 88.3 | Confident | 77.9 | Confident | 132 Ų | 132 | 73 Ų | 73 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.9 | -44.3 | 173.6 | -74.5 | 167.9 | 91.2 | 0 | 0 | 111.7 | D383 Y384 L385 K390 G391 | D383-Q387 VanDerWaalsContact O-CG 3.3Å; D383-Q387 WeakPolarHBondContact O-CG 3.2Å; D383-Q387 PolarHBondContact O-N 3.11Å; D383-Q387 PolarHBondContact O-NE2 3.21Å; Y384-Q387 WeakPolarHBondContact O-CB 3.16Å; Y384-Q387 PolarHBondContact O-N 2.86Å; Y384-Q387 VanDerWaalsContact O-N 3.14Å; L385-Q387 VanDerWaalsContact C-N 3.29Å; L385-Q387 PolarHBondContact O-N 3.32Å; Q387-K390 PolarHBondContact O-N 3.26Å; Q387-G391 PolarHBondContact O-N 3.39Å |
| 388 | V | 86.8 | Confident | 75.8 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -50 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | Y384 L385 K390 G391 Q392 | Y384-V388 HydrophobicContact CD1-CG2 4.43Å; Y384-V388 HydrophobicContact CE1-CG2 4.03Å; Y384-V388 HydrophobicContact CE2-CG2 4.31Å; Y384-V388 WeakPolarHBondContact O-CG2 3.38Å; Y384-V388 PolarHBondContact O-N 3.24Å; L385-V388 PolarHBondContact O-N 3.06Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 2.88Å; V388-G391 PolarHBondContact O-N 2.92Å; V388-Q392 VanDerWaalsContact CG1-NE2 3.28Å; V388-Q392 PolarHBondContact O-N 2.95Å; V388-Q392 VanDerWaalsContact O-N 3.08Å |
| 389 | S | 80.2 | Confident | 73.7 | Confident | 12 Ų | 12 | 80 Ų | 80 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -32.5 | 177.9 | -72.1 | 0 | 0 | 0 | 0 | 113.2 | T297 L385 Q393 | T297-S389 WeakPolarHBondContact O-CB 2.94Å; T297-S389 PolarHBondContact O-OG 3.26Å; L385-S389 WeakPolarHBondContact O-CB 3.38Å; L385-S389 PolarHBondContact O-N 2.78Å; L385-S389 PolarHBondContact O-OG 2.68Å; S389-Q393 PolarHBondContact O-NE2 3.32Å |
| 390 | K | 73.1 | Confident | 71.5 | Confident | 115 Ų | 115 | 83.2 Ų | 83.2 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -81.2 | -39.8 | 175.8 | -72 | 178.6 | -178.6 | -175.5 | 0 | 112.2 | R386 Q387 V388 Q392 Q393 I394 | R386-K390 HydrophobicContact CG-CD 4.07Å; R386-K390 VanDerWaalsContact O-CB 3.32Å; R386-K390 WeakPolarHBondContact O-CB 3.48Å; R386-K390 VanDerWaalsContact O-CG 3.24Å; R386-K390 WeakPolarHBondContact O-CG 3.47Å; R386-K390 PolarHBondContact O-N 3.2Å; R386-K390 VanDerWaalsContact O-N 3.12Å; Q387-K390 PolarHBondContact O-N 3.26Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 2.88Å; K390-Q392 PolarHBondContact O-N 3.5Å; K390-Q393 PolarHBondContact O-N 2.92Å; K390-I394 WeakPolarHBondContact O-CG1 3.43Å; K390-I394 PolarHBondContact O-N 2.9Å; K390-I394 VanDerWaalsContact O-N 3.09Å |
| 391 | G | 62.4 | Low | 69.4 | Low | 31 Ų | 31 | 85.6 Ų | 85.6 | 32% | 0.32 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q387 V388 I394 T395 | Q387-G391 PolarHBondContact O-N 3.39Å; V388-G391 PolarHBondContact O-N 2.92Å; G391-I394 PolarHBondContact O-N 3.44Å; G391-T395 PolarHBondContact O-N 3.22Å; G391-T395 PolarHBondContact O-OG1 3.41Å |
| 392 | Q | 56.2 | Low | 67.2 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 177.6 | -72.2 | 171.3 | 18.7 | 0 | 0 | 112.3 | H310 V388 K390 I394 T395 E396 | H310-Q392 PolarHBondContact CE1-NE2 3.47Å; H310-Q392 PolarHBondContact CE1-OE1 3.34Å; H310-Q392 PolarHBondContact NE2-NE2 2.95Å; H310-Q392 PolarHBondContact NE2-OE1 3.11Å; V388-Q392 VanDerWaalsContact CG1-NE2 3.28Å; V388-Q392 PolarHBondContact O-N 2.95Å; V388-Q392 VanDerWaalsContact O-N 3.08Å; K390-Q392 PolarHBondContact O-N 3.5Å; Q392-I394 PolarHBondContact O-N 3.37Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.4Å; Q392-T395 PolarHBondContact O-N 3.25Å; Q392-T395 PolarHBondContact O-OG1 3.1Å; Q392-E396 PolarHBondContact O-N 3.4Å |
| 393 | Q | 52.6 | Low | 65 | Low | 130 Ų | 130 | 91.8 Ų | 91.8 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.6 | -31.1 | 175 | -75 | 175.9 | 85.3 | 0 | 0 | 112.9 | S389 K390 K397 | S389-Q393 PolarHBondContact O-NE2 3.32Å; K390-Q393 PolarHBondContact O-N 2.92Å; Q393-K397 WeakPolarHBondContact O-CB 3.48Å; Q393-K397 PolarHBondContact O-N 3.34Å |
| 394 | I | 50.1 | Low | 62.8 | Low | 106 Ų | 106 | 97.7 Ų | 97.7 | 54% | 0.544 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.9 | -46.3 | 172.6 | -65.8 | 164 | 0 | 0 | 0 | 110.5 | K390 G391 Q392 E396 K397 V398 | K390-I394 WeakPolarHBondContact O-CG1 3.43Å; K390-I394 PolarHBondContact O-N 2.9Å; K390-I394 VanDerWaalsContact O-N 3.09Å; G391-I394 PolarHBondContact O-N 3.44Å; Q392-I394 PolarHBondContact O-N 3.37Å; I394-E396 PolarHBondContact O-N 2.69Å; I394-K397 PolarHBondContact O-N 2.66Å; I394-V398 HydrophobicContact CG2-CG2 4.35Å; I394-V398 WeakPolarHBondContact O-CG2 3.41Å; I394-V398 PolarHBondContact O-N 2.81Å |
| 395 | T | 48.3 | Very low | 60.3 | Low | 88 Ų | 88 | 94.9 Ų | 94.9 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | -177.6 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | G391 Q392 K399 | G391-T395 PolarHBondContact O-N 3.22Å; G391-T395 PolarHBondContact O-OG1 3.41Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.4Å; Q392-T395 PolarHBondContact O-N 3.25Å; Q392-T395 PolarHBondContact O-OG1 3.1Å; T395-K399 PolarHBondContact O-N 3.03Å; T395-K399 VanDerWaalsContact O-N 3.15Å |
| 396 | E | 49.4 | Very low | 57.7 | Low | 131 Ų | 131 | 99.8 Ų | 99.8 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | 174.2 | -68.8 | -174.1 | 163.7 | 0 | 0 | 111.4 | Q392 I394 K399 N400 | Q392-E396 PolarHBondContact O-N 3.4Å; I394-E396 PolarHBondContact O-N 2.69Å; E396-K399 PolarHBondContact O-N 2.95Å; E396-N400 VanDerWaalsContact O-CG 3.22Å; E396-N400 PolarHBondContact O-N 2.79Å; E396-N400 VanDerWaalsContact O-N 3.15Å; E396-N400 PolarHBondContact O-ND2 2.75Å |
| 397 | K | 45.8 | Very low | 55.1 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 178.4 | -152.7 | 173.9 | -177.4 | -63.6 | 0 | 112.1 | Q393 I394 K399 N400 E401 | Q393-K397 WeakPolarHBondContact O-CB 3.48Å; Q393-K397 PolarHBondContact O-N 3.34Å; I394-K397 PolarHBondContact O-N 2.66Å; K397-K399 VanDerWaalsContact C-N 3.35Å; K397-K399 PolarHBondContact O-N 3.47Å; K397-N400 PolarHBondContact O-N 2.87Å; K397-E401 IonicContact NZ-OE1 3.83Å; K397-E401 PolarHBondContact NZ-OE1 3.39Å; K397-E401 IonicContact NZ-OE2 2.66Å; K397-E401 WeakPolarHBondContact O-CG 3.41Å; K397-E401 PolarHBondContact O-N 3.02Å |
| 398 | V | 51.8 | Low | 52.6 | Low | 86 Ų | 86 | 103.9 Ų | 103.9 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.2 | 173 | 0 | 0 | 0 | 0 | 111.4 | I394 N400 E401 S402 | I394-V398 HydrophobicContact CG2-CG2 4.35Å; I394-V398 WeakPolarHBondContact O-CG2 3.41Å; I394-V398 PolarHBondContact O-N 2.81Å; V398-N400 VanDerWaalsContact C-N 3.29Å; V398-N400 PolarHBondContact O-N 3.28Å; V398-E401 PolarHBondContact O-N 3.24Å; V398-S402 WeakPolarHBondContact O-CB 3.46Å; V398-S402 PolarHBondContact O-N 2.95Å; V398-S402 PolarHBondContact O-OG 2.86Å; V398-S402 VanDerWaalsContact O-OG 3.13Å |
| 399 | K | 50.5 | Low | 50.4 | Low | 150 Ų | 150 | 110.1 Ų | 110.1 | 65% | 0.652 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -35.4 | 179.1 | -130.5 | 174.9 | -174.1 | 177.3 | 0 | 113.1 | T395 E396 K397 S402 | T395-K399 PolarHBondContact O-N 3.03Å; T395-K399 VanDerWaalsContact O-N 3.15Å; E396-K399 PolarHBondContact O-N 2.95Å; K397-K399 VanDerWaalsContact C-N 3.35Å; K397-K399 PolarHBondContact O-N 3.47Å; K399-S402 PolarHBondContact O-OG 2.93Å |
| 400 | N | 48.9 | Very low | 48.3 | Very low | 109 Ų | 109 | 116.5 Ų | 116.5 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.5 | -34.5 | 179.4 | -65 | -19 | 0 | 0 | 0 | 111.9 | E396 K397 V398 | E396-N400 VanDerWaalsContact O-CG 3.22Å; E396-N400 PolarHBondContact O-N 2.79Å; E396-N400 VanDerWaalsContact O-N 3.15Å; E396-N400 PolarHBondContact O-ND2 2.75Å; K397-N400 PolarHBondContact O-N 2.87Å; V398-N400 VanDerWaalsContact C-N 3.29Å; V398-N400 PolarHBondContact O-N 3.28Å |
| 401 | E | 50.2 | Low | 46.6 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -77.7 | -32.2 | 177.5 | -72.2 | 168.5 | -169.4 | 0 | 0 | 112.5 | K397 V398 L403 F404 S405 | K397-E401 IonicContact NZ-OE1 3.83Å; K397-E401 PolarHBondContact NZ-OE1 3.39Å; K397-E401 IonicContact NZ-OE2 2.66Å; K397-E401 WeakPolarHBondContact O-CG 3.41Å; K397-E401 PolarHBondContact O-N 3.02Å; V398-E401 PolarHBondContact O-N 3.24Å; E401-L403 VanDerWaalsContact C-N 3.29Å; E401-L403 PolarHBondContact O-N 3.16Å; E401-F404 PolarHBondContact O-N 2.85Å; E401-S405 PolarHBondContact O-OG 3.1Å |
| 402 | S | 50.3 | Low | 45.4 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | -18.2 | 176.6 | 65.8 | 0 | 0 | 0 | 0 | 114.6 | V398 K399 | V398-S402 WeakPolarHBondContact O-CB 3.46Å; V398-S402 PolarHBondContact O-N 2.95Å; V398-S402 PolarHBondContact O-OG 2.86Å; V398-S402 VanDerWaalsContact O-OG 3.13Å; K399-S402 PolarHBondContact O-OG 2.93Å |
| 403 | L | 48.6 | Very low | 44.8 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -16.6 | 178.5 | -76.9 | 169.9 | 0 | 0 | 0 | 113.7 | E401 | E401-L403 VanDerWaalsContact C-N 3.29Å; E401-L403 PolarHBondContact O-N 3.16Å |
| 404 | F | 46 | Very low | 44.2 | Very low | 186 Ų | 186 | 126.8 Ų | 126.8 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -4.9 | -179.4 | -90.6 | -83.6 | 0 | 0 | 0 | 114.8 | E401 | E401-F404 PolarHBondContact O-N 2.85Š|
| 405 | S | 41.4 | Very low | 43.7 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -103.7 | 3.6 | -172 | -54.2 | 0 | 0 | 0 | 0 | 114.8 | E401 | E401-S405 PolarHBondContact O-OG 3.1Š|
| 406 | S | 39.9 | Very low | 43.1 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -107.2 | 26.2 | -169.2 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 407 | S | 35.5 | Very low | 42.5 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -132.4 | 127.7 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 408 | K | 37.6 | Very low | 41.9 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | 82.4 | 111 | -172.1 | -54.2 | 169 | -178.7 | 176.5 | 0 | 116 | ||||
| 409 | L | 40.2 | Very low | 41.2 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | -156.3 | 147.6 | 109.8 | -103.8 | 168.5 | 0 | 0 | 0 | 109.3 | |||||
| 410 | D | 35.8 | Very low | 40.4 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -80.5 | 164.6 | -172.9 | -57.3 | -85 | 0 | 0 | 0 | 113.3 | ||||
| 411 | N | 37.8 | Very low | 39.7 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | trans | -139.5 | 125.5 | 150.4 | -113 | -27.8 | 0 | 0 | 0 | 109.6 | ||||
| 412 | S | 36.4 | Very low | 39.1 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -104.2 | 174.7 | -176.6 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | S | 43.3 | Very low | 38.5 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 79.8 | 140.7 | -171.2 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 414 | E | 40.1 | Very low | 37.9 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | cis | -146 | 173.7 | 3.9 | -141.4 | 160.4 | -141 | 0 | 0 | 114.4 | ||||
| 415 | K | 39.9 | Very low | 37.4 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -57.8 | 157.2 | 178.7 | -57.3 | 154.7 | 176.1 | 163.4 | 0 | 110.9 | ||||
| 416 | S | 35.7 | Very low | 37.1 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -164.7 | 162.9 | 38 | -99.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 417 | Y | 36.8 | Very low | 36.9 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 6.2 | 143.4 | 141.1 | -46 | -61 | 0 | 0 | 0 | 120 | ||||
| 418 | S | 34.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | cis | -173 | 176.9 | 2.7 | -108.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 419 | T | 36.1 | Very low | 36.9 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 76.7 | 105.4 | 146.6 | 30.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 420 | T | 34.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 63.2 | 117.6 | 129 | 38.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 421 | S | 34.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | 42.5 | 145.3 | 119.4 | 72.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 422 | T | 36.4 | Very low | 36.2 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | -166.5 | 145.5 | 50.9 | 41.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 423 | T | 37.5 | Very low | 36.3 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | 61.9 | 170.7 | 155.3 | 67.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 424 | S | 36.4 | Very low | 36.1 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -149.6 | 155.3 | -1.2 | -148.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 425 | K | 35.4 | Very low | 36.1 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -5.4 | 135.8 | 156.1 | -51.9 | 165.6 | -174.8 | 176.8 | 0 | 118.2 | ||||
| 426 | R | 35.5 | Very low | 35.8 | Very low | 246 Ų | 246 | 137.4 Ų | 137.4 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | 170 | 166 | 97.7 | -163.1 | 162.4 | -173.8 | 175.4 | 0.4 | 112.5 | |||||
| 427 | S | 34.6 | Very low | 35.6 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -91.1 | -161 | -171.2 | -41.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 428 | P | 41.4 | Very low | 35.5 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -122.3 | -171.9 | -113.6 | 39.1 | -19.9 | 0 | 0 | 0 | 115.6 | |||||
| 429 | A | 31.6 | Very low | 35.3 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 118.6 | 138.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 430 | S | 31.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 50 | 103.9 | 145.3 | 61.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 431 | Y | 35.8 | Very low | 34.9 | Very low | 217 Ų | 217 | 138.2 Ų | 138.2 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | -166.5 | 130.5 | 113.4 | 63.3 | -85 | 0 | 0 | 0 | 107.8 | |||||
| 432 | T | 32.3 | Very low | 34.6 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | cis | 85.9 | 91.1 | 39.7 | 69.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 433 | S | 39.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -153 | 122.3 | 136.2 | -109.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 434 | K | 38.5 | Very low | 33.8 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | 60.2 | 123.7 | 60.9 | -60.6 | -175.5 | 176.3 | -179 | 0 | 109.9 | |||||
| 435 | M | 39.6 | Very low | 33.4 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | cis | -150.1 | 166.8 | 29 | -76.7 | -167 | -64.9 | 0 | 0 | 111.2 | ||||
| 436 | N | 34.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | -162.9 | 154.8 | -28.1 | -169.2 | 19.6 | 0 | 0 | 0 | 107.4 | ||||
| 437 | L | 31.2 | Very low | 33.4 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -110.1 | 125.2 | 176.9 | 179 | 67.3 | 0 | 0 | 0 | 110.1 | ||||
| 438 | S | 34.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -125.9 | 96 | 178.6 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 439 | T | 29.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -54.2 | 139.8 | 158 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 440 | I | 33.7 | Very low | 32.9 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -151.6 | 148 | 150.4 | -107.1 | 151.9 | 0 | 0 | 0 | 109.5 | ||||
| 441 | T | 27.7 | Very low | 33 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | -113 | 160 | -170 | -42.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 442 | T | 28 | Very low | 32.8 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 81.5 | 152.5 | 152.4 | 0.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 443 | T | 28.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 73.6 | 94.7 | 149.4 | 35.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 444 | T | 29.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | 66.8 | 112 | 114.8 | 56.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 445 | T | 28.3 | Very low | 32 | Very low | 125 Ų | 125 | 122 Ų | 122 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | 75.8 | 157.4 | 125 | 63.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 446 | S | 33.5 | Very low | 31.5 | Very low | 123 Ų | 123 | 118 Ų | 118 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | 71 | 140.5 | -176.9 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 447 | A | 36.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | cis | -146.6 | 169 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 448 | A | 34.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 114.6 Ų | 114.6 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | cis | -148.4 | 178.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 449 | A | 30.4 | Very low | 30.8 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -71.3 | 179 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 450 | A | 32.7 | Very low | 31 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | cis | -159.9 | 173.8 | 21.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 451 | T | 34.4 | Very low | 30.8 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 91% | 0.908 | 73% | 0.731 | S | S | * | * | trans | 61 | 133.7 | 164.4 | 54.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 452 | G | 31.5 | Very low | 31 | Very low | 63 Ų | 63 | 119.8 Ų | 119.8 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | cis | 133.7 | 139.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 453 | N | 31.8 | Very low | 31.2 | Very low | 171 Ų | 171 | 121.2 Ų | 121.2 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | trans | 65 | 166.4 | -177.4 | -55.3 | -18.3 | 0 | 0 | 0 | 113.9 | ||||
| 454 | S | 28.9 | Very low | 31.2 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -170.2 | 175.6 | -38.5 | -168.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 455 | L | 32.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 63.6 | 111.2 | 162.9 | -63.5 | 158.8 | 0 | 0 | 0 | 118.6 | ||||
| 456 | D | 28.2 | Very low | 31.6 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 51% | 0.513 | 74% | 0.738 | S | S | . | * | 36.7 | 142.6 | 99.8 | -152.3 | 15.8 | 0 | 0 | 0 | 122 | |||||
| 457 | Y | 28.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 42% | 0.424 | 74% | 0.735 | S | S | . | * | trans | 64.1 | 150.6 | 167.1 | -77.4 | -55.9 | 0 | 0 | 0 | 125.5 | L615 | Y457-L615 HydrophobicContact CE2-CD2 3.41Å; Y457-L615 VanDerWaalsContact CE2-CD2 3.41Å; Y457-L615 WeakPolarHBondContact OH-CD2 3.39Å | ||
| 458 | T | 30.3 | Very low | 31.7 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 74.2 | 100.5 | 153.2 | 33.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 459 | E | 28.3 | Very low | 31.6 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | 34.6 | 109.5 | 107.6 | -173.2 | 175 | -164.6 | 0 | 0 | 119.1 | |||||
| 460 | I | 33.6 | Very low | 31.6 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 82% | 0.821 | 74% | 0.735 | S | S | * | * | trans | -175.9 | 110.8 | 139.4 | -93.2 | 147.6 | 0 | 0 | 0 | 104.6 | ||||
| 461 | S | 28.5 | Very low | 31.7 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | 79.3 | 133 | 59.5 | -169.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 462 | K | 33.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | 78.4 | 147.8 | -175.1 | -53.3 | 164.6 | -173.4 | 168.8 | 0 | 114.1 | ||||
| 463 | Q | 31.9 | Very low | 31.6 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -150.4 | 157.2 | 1.2 | -133.8 | 153.5 | -37.7 | 0 | 0 | 112.4 | ||||
| 464 | R | 28.3 | Very low | 31.5 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -8.6 | 153.9 | 156.7 | -47.6 | 172.4 | -173.6 | 172.7 | -1.9 | 117.3 | ||||
| 465 | H | 34 | Very low | 32 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | -172.1 | 147.9 | 50.4 | -136.8 | -74.9 | 0 | 0 | 0 | 112.1 | |||||
| 466 | D | 32.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -75.2 | 150.7 | 156.6 | -58.4 | -73.7 | 0 | 0 | 0 | 110.9 | ||||
| 467 | P | 44.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -116.9 | 118 | 146.9 | 33.2 | -22.7 | 0 | 0 | 0 | 111.4 | ||||
| 468 | F | 26.8 | Very low | 33 | Very low | 191 Ų | 191 | 149 Ų | 149 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -60.6 | 145.6 | 147.3 | -82.3 | -120 | 0 | 0 | 0 | 108.3 | ||||
| 469 | E | 34.1 | Very low | 33.1 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -155.4 | 143.8 | 133.5 | -124.7 | 168.5 | -152.7 | 0 | 0 | 113 | ||||
| 470 | T | 29.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -115.9 | 105.5 | -175.5 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 471 | Y | 34 | Very low | 33.3 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | trans | -152 | 148 | 156.8 | -76.4 | -73 | 0 | 0 | 0 | 108.6 | ||||
| 472 | G | 29.6 | Very low | 33.7 | Very low | 76 Ų | 76 | 152.4 Ų | 152.4 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | cis | 123.8 | 72.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 473 | G | 34.1 | Very low | 33.9 | Very low | 81 Ų | 81 | 150.2 Ų | 150.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 156.6 | 113.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 474 | G | 30.4 | Very low | 34.1 | Very low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -102.5 | 167.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 475 | N | 39.7 | Very low | 34.7 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -145.7 | 145.8 | 163.1 | -104.7 | -46.4 | 0 | 0 | 0 | 112.1 | ||||
| 476 | K | 34.5 | Very low | 35 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -85.7 | 151.7 | -178.4 | -59.9 | 172.1 | 178.8 | 174.9 | 0 | 110.9 | ||||
| 477 | L | 37.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 171.4 | 145.4 | 141.8 | -90.7 | 148.1 | 0 | 0 | 0 | 108.5 | ||||
| 478 | K | 37.5 | Very low | 35 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | -163.7 | 150.4 | -40.4 | -119 | -164.9 | -176.2 | 179.4 | 0 | 106.4 | ||||
| 479 | F | 32.4 | Very low | 35.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -21.2 | 145.8 | 172.1 | -45.9 | -86.3 | 0 | 0 | 0 | 119.6 | ||||
| 480 | N | 36.4 | Very low | 35.8 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | -142.1 | 144.7 | 117.3 | -159.9 | 5.8 | 0 | 0 | 0 | 110.9 | |||||
| 481 | N | 31 | Very low | 36 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -154.2 | 128.9 | 174.1 | 173 | 25 | 0 | 0 | 0 | 106.8 | ||||
| 482 | N | 36.3 | Very low | 36.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | trans | -160.8 | 134.5 | 170.2 | -116 | -16.5 | 0 | 0 | 0 | 113.1 | ||||
| 483 | N | 38.1 | Very low | 36.6 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 52.7 | 117.8 | 160.1 | -55.5 | -22.9 | 0 | 0 | 0 | 118.9 | ||||
| 484 | N | 34.9 | Very low | 36.9 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | cis | 67.1 | 106.2 | 45 | -171.6 | 51.1 | 0 | 0 | 0 | 113.4 | ||||
| 485 | D | 41.8 | Very low | 36.9 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -153 | 155.1 | 135.5 | -125 | -31.4 | 0 | 0 | 0 | 111.7 | ||||
| 486 | N | 38.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | trans | -105 | 154.3 | -172.9 | -66.3 | -94.2 | 0 | 0 | 0 | 111.5 | ||||
| 487 | N | 39.9 | Very low | 36.4 | Very low | 159 Ų | 159 | 153 Ų | 153 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | -170.1 | 157.8 | 122.8 | -105.3 | -58.6 | 0 | 0 | 0 | 114.5 | |||||
| 488 | N | 37.5 | Very low | 36.2 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -88.1 | 147.4 | -175.6 | -58 | -77.8 | 0 | 0 | 0 | 112.5 | ||||
| 489 | N | 37.5 | Very low | 35.9 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | -167.8 | 158.2 | 111.7 | -113.1 | -40.2 | 0 | 0 | 0 | 117.7 | G491 | N489-G491 PolarHBondContact O-N 2.92Š| |||
| 490 | H | 41 | Very low | 35.9 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -12.4 | 100.3 | 173.3 | -71.7 | -74.8 | 0 | 0 | 0 | 120.8 | ||||
| 491 | G | 34.3 | Very low | 36 | Very low | 64 Ų | 64 | 149.3 Ų | 149.3 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | 54.6 | 120 | 102.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | N489 | N489-G491 PolarHBondContact O-N 2.92Š| |||
| 492 | N | 37.5 | Very low | 36.4 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | -155.3 | 114.3 | 128.1 | -103.7 | -56.5 | 0 | 0 | 0 | 112.6 | |||||
| 493 | K | 38.1 | Very low | 36.3 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 31.4 | 94 | 135.9 | -51.6 | 167.1 | -165 | 129.4 | 0 | 117.3 | ||||
| 494 | N | 39.8 | Very low | 36.3 | Very low | 168 Ų | 168 | 150 Ų | 150 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -156.6 | 106.5 | 143.5 | -92.9 | -39.6 | 0 | 0 | 0 | 109.3 | ||||
| 495 | L | 30.5 | Very low | 36.4 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -78.9 | 176.2 | 167.4 | -71.6 | 162.1 | 0 | 0 | 0 | 109.6 | ||||
| 496 | W | 30.8 | Very low | 36.3 | Very low | 252 Ų | 252 | 149.4 Ų | 149.4 | 96% | 0.955 | 78% | 0.784 | S | S | * | * | trans | 79.4 | 64.5 | -176.4 | -56.9 | 90.9 | 0 | 0 | 0 | 116.8 | ||||
| 497 | N | 33.1 | Very low | 36.2 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -161.2 | 41.9 | 149.7 | -120.5 | -10.7 | 0 | 0 | 0 | 116 | ||||
| 498 | I | 32.8 | Very low | 36.1 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -138.1 | 91.2 | 175.9 | -50.5 | 177.7 | 0 | 0 | 0 | 111.1 | ||||
| 499 | S | 31.8 | Very low | 35.9 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -174.7 | 73.1 | 162.4 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 500 | N | 32.2 | Very low | 35.8 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -170.3 | 58.4 | 167.1 | -93.2 | -37.5 | 0 | 0 | 0 | 110.7 | ||
| 501 | N | 38.9 | Very low | 35.3 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -168 | 23.1 | 173.2 | -104.8 | -12.3 | 0 | 0 | 0 | 114 | ||
| 502 | L | 38.6 | Very low | 35.2 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -138.7 | 12.4 | -170.7 | -105.2 | 169.4 | 0 | 0 | 0 | 114.9 | ||
| 503 | L | 35.4 | Very low | 35 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -109 | -8.8 | -178.8 | -141.6 | 77.4 | 0 | 0 | 0 | 114.2 | ||
| 504 | N | 37.2 | Very low | 34.7 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -89.3 | -18.5 | -177.4 | -70.3 | 1.9 | 0 | 0 | 0 | 113.4 | ||
| 505 | D | 37.8 | Very low | 34.3 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -89.9 | 1.2 | -173 | -60.2 | -33.6 | 0 | 0 | 0 | 114 | ||
| 506 | I | 38.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105.8 | -16.7 | -175.8 | -63.9 | 175.9 | 0 | 0 | 0 | 112.4 | ||
| 507 | I | 38.6 | Very low | 34.5 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -78.6 | -20.9 | -177.2 | -66.5 | 174.3 | 0 | 0 | 0 | 112.2 | ||
| 508 | N | 36.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -109.1 | 76.4 | -179.1 | -68.1 | -38.5 | 0 | 0 | 0 | 111.9 | ||
| 509 | N | 32.4 | Very low | 34.5 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 157.5 | 86.6 | 147 | -82.9 | -37.6 | 0 | 0 | 0 | 113 | ||||
| 510 | T | 36 | Very low | 34.5 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | -159.5 | 148 | 147.3 | 14 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 511 | S | 30.9 | Very low | 34.3 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | -136.6 | 171.5 | 177.3 | -174 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 512 | F | 31.5 | Very low | 34 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | 85.7 | 150 | 174.4 | -54.4 | -68.2 | 0 | 0 | 0 | 117 | ||||
| 513 | P | 34.1 | Very low | 33.5 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -134.6 | -168.9 | -138.2 | 43.2 | -26.2 | 0 | 0 | 0 | 116.1 | ||||
| 514 | F | 30.8 | Very low | 33.2 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 108.6 | 149.5 | 147.3 | -158.6 | -119.6 | 0 | 0 | 0 | 118.9 | ||||
| 515 | T | 31.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 70.2 | 112.6 | 171.8 | 29.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 516 | D | 28.1 | Very low | 32.5 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -85.4 | 160 | 156.9 | -57 | -66.7 | 0 | 0 | 0 | 112.5 | ||||
| 517 | P | 37.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -115.4 | 118.4 | 156.2 | 34.4 | -22.6 | 0 | 0 | 0 | 112.8 | ||||
| 518 | L | 33.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -70.2 | 146.1 | 166.2 | -64 | 163.8 | 0 | 0 | 0 | 111.1 | ||||
| 519 | F | 32.2 | Very low | 31.4 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 74% | 0.737 | 76% | 0.76 | S | S | * | * | trans | -164.7 | 143.6 | 139.3 | -124.9 | -141.4 | 0 | 0 | 0 | 116.1 | ||||
| 520 | W | 32.3 | Very low | 31.6 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 41 | 118.9 | 165.8 | -61.6 | -24 | 0 | 0 | 0 | 120.7 | ||||
| 521 | S | 28.8 | Very low | 31.6 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | 83 | 115 | 20.8 | 93.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 522 | N | 31.1 | Very low | 31.8 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -179.6 | 113.5 | 142.7 | -89.1 | -28.9 | 0 | 0 | 0 | 107.4 | ||||
| 523 | S | 28.8 | Very low | 32 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | cis | 97.4 | 107.3 | 25.7 | -166.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 524 | F | 29.4 | Very low | 32.1 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | 175.3 | 103.4 | 135.4 | -115.1 | -102.7 | 0 | 0 | 0 | 107.6 | ||||
| 525 | I | 28 | Very low | 32.3 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 61% | 0.605 | 75% | 0.745 | S | S | * | * | 88.3 | 140.6 | 63.2 | -67.5 | 165 | 0 | 0 | 0 | 112.4 | |||||
| 526 | Q | 32.6 | Very low | 32.5 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 83.6 | 132.4 | -175.3 | -49.4 | -163.9 | 13.2 | 0 | 0 | 115.8 | ||||
| 527 | N | 29.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | cis | -156.9 | 153.8 | -11.5 | -112.7 | -23.8 | 0 | 0 | 0 | 112.3 | ||||
| 528 | T | 30 | Very low | 32.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | 4 | 144.7 | 154.7 | 61.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 529 | N | 30.4 | Very low | 32.4 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | -174.2 | 176.8 | 51.9 | -144.2 | -21.6 | 0 | 0 | 0 | 112.9 | |||||
| 530 | L | 36.8 | Very low | 32.4 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 68.7 | 141.1 | 177.6 | -43.9 | 166.3 | 0 | 0 | 0 | 114.4 | ||||
| 531 | D | 35.4 | Very low | 32.5 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | cis | -167.3 | 162.1 | -28.4 | -106.9 | -52.4 | 0 | 0 | 0 | 106.8 | ||||
| 532 | G | 36.4 | Very low | 32.7 | Very low | 47 Ų | 47 | 127 Ų | 127 | 49% | 0.485 | 76% | 0.759 | S | S | . | * | cis | 172 | 144.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 533 | N | 36 | Very low | 32.8 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 72.4 | 141.3 | -171.7 | -40.5 | -66.9 | 0 | 0 | 0 | 114.7 | ||||
| 534 | Y | 34.7 | Very low | 33.1 | Very low | 205 Ų | 205 | 125 Ų | 125 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -133.4 | 158.1 | 17.5 | -88.6 | -92.4 | 0 | 0 | 0 | 114.8 | ||||
| 535 | L | 36.1 | Very low | 33.4 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -73.8 | 175.2 | 165.2 | -135.7 | 72.5 | 0 | 0 | 0 | 110.4 | ||||
| 536 | A | 36.1 | Very low | 33.9 | Very low | 86 Ų | 86 | 121 Ų | 121 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | -168.7 | 176 | 16.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 537 | T | 32.6 | Very low | 34 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | cis | -174.2 | 128.2 | -22.7 | -98.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 538 | A | 32.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 120 Ų | 120 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -170 | 149.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 539 | A | 32.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 118.3 Ų | 118.3 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | cis | -158.6 | 151.3 | -26.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 540 | A | 32 | Very low | 34.9 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -6.9 | 131.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 541 | A | 34.2 | Very low | 35.2 | Very low | 102 Ų | 102 | 115.9 Ų | 115.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -164.3 | 150.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 542 | A | 33.4 | Very low | 35.4 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | 59.3 | 133.7 | 162 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 543 | A | 32.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -128.8 | -167.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 544 | A | 35.9 | Very low | 35.8 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 84.9 | 140 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 545 | A | 35.6 | Very low | 36 | Very low | 87 Ų | 87 | 114.2 Ų | 114.2 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | cis | -157.6 | 147.5 | -15.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 546 | T | 37.6 | Very low | 36 | Very low | 136 Ų | 136 | 114.3 Ų | 114.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 22.1 | 116.3 | 135.7 | -46.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 547 | A | 35.8 | Very low | 36 | Very low | 83 Ų | 83 | 116.4 Ų | 116.4 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | 174.3 | 125.6 | 110.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 548 | M | 37 | Very low | 36.3 | Very low | 181 Ų | 181 | 119.4 Ų | 119.4 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | 49.1 | 151.9 | 124.7 | -50.6 | -92.4 | -88 | 0 | 0 | 121.7 | |||||
| 549 | A | 35.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | -176.8 | 128.8 | -29.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 550 | A | 35.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 60.7 | 178 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 551 | V | 41.8 | Very low | 37.3 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -136.6 | 154.4 | 9.2 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 552 | N | 40.1 | Very low | 37.4 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -43.3 | 145.8 | 174.6 | -155 | 30.3 | 0 | 0 | 0 | 117 | ||||
| 553 | P | 42.9 | Very low | 37.4 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -98.8 | 151 | 179.7 | 37.4 | -33.4 | 0 | 0 | 0 | 115 | ||||
| 554 | A | 38.7 | Very low | 37.5 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -157.5 | 145.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 555 | N | 38.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -39 | 137.2 | 177.7 | -54.6 | -57.7 | 0 | 0 | 0 | 117.7 | ||||
| 556 | L | 36 | Very low | 37.3 | Very low | 159 Ų | 159 | 133 Ų | 133 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -149.6 | 137.5 | 144.4 | -81.7 | -170 | 0 | 0 | 0 | 112.5 | ||||
| 557 | L | 36.6 | Very low | 37 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | trans | 49.7 | 121.9 | 158.5 | -79.7 | 71.4 | 0 | 0 | 0 | 118.7 | ||||
| 558 | K | 38 | Very low | 36.9 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 55 | 110.6 | 70.4 | -63.3 | 179.5 | 177.1 | 178.3 | 0 | 114.1 | |||||
| 559 | L | 37.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -167.2 | 156 | 109.1 | -106.9 | 138.7 | 0 | 0 | 0 | 113.2 | |||||
| 560 | L | 37.1 | Very low | 36.7 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | -92.3 | -175.6 | -176.2 | -101.2 | 71.3 | 0 | 0 | 0 | 110.8 | ||||
| 561 | P | 42.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -143.9 | -176.5 | -36.7 | 40.1 | -23.1 | 0 | 0 | 0 | 114.7 | ||||
| 562 | A | 36.8 | Very low | 36.4 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 66.3 | 170.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 563 | S | 33 | Very low | 36.2 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -142.2 | -175.7 | 9.8 | -68.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 564 | I | 34.8 | Very low | 36 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | 86.1 | 92.1 | 167.4 | -55.1 | 164.5 | 0 | 0 | 0 | 111.7 | ||||
| 565 | Q | 33.2 | Very low | 35.9 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | 54.3 | 129.5 | 62.9 | -54.4 | -167.7 | -6.1 | 0 | 0 | 111.8 | |||||
| 566 | L | 34.1 | Very low | 35.8 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | cis | -146.9 | 137.6 | 45.7 | -83.6 | 168.9 | 0 | 0 | 0 | 108.9 | ||||
| 567 | N | 32.3 | Very low | 36 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | 76.7 | 127.2 | 96 | -146.2 | 55.8 | 0 | 0 | 0 | 112 | |||||
| 568 | N | 32.3 | Very low | 36 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | cis | -156 | 135.9 | 27.9 | -150.8 | 2.9 | 0 | 0 | 0 | 112 | ||||
| 569 | N | 33.8 | Very low | 36.1 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 55.2 | 146.1 | 152.9 | -61.9 | -17.7 | 0 | 0 | 0 | 121.4 | ||||
| 570 | T | 34.8 | Very low | 36.3 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 64% | 0.638 | 71% | 0.706 | S | S | * | * | cis | -162.7 | 124.6 | -13.7 | -97.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 571 | Y | 32 | Very low | 36.4 | Very low | 206 Ų | 206 | 125 Ų | 125 | 81% | 0.808 | 71% | 0.709 | S | S | * | * | 67.8 | 150.4 | 67.7 | -79.5 | -46.9 | 0 | 0 | 0 | 113.3 | |||||
| 572 | P | 39.5 | Very low | 36.3 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | -138.7 | -159.4 | -59 | 27.8 | -4.9 | 0 | 0 | 0 | 113.1 | |||||
| 573 | S | 36 | Very low | 36.5 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | 91.4 | 151.8 | 142.8 | -63 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 574 | T | 38 | Very low | 36.7 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | cis | -151.8 | 142.8 | 8.3 | -8.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 575 | N | 36.3 | Very low | 36.9 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | 48.5 | 154.8 | 121.6 | -68.1 | 4.7 | 0 | 0 | 0 | 120.4 | |||||
| 576 | I | 37.9 | Very low | 37.1 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 65% | 0.651 | 70% | 0.7 | S | S | * | * | cis | -164.2 | 145.9 | 17.8 | -134.3 | 164 | 0 | 0 | 0 | 111.9 | ||||
| 577 | I | 38.7 | Very low | 37.2 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | trans | 59.6 | 148.2 | 139.2 | -81.3 | 168.5 | 0 | 0 | 0 | 120.8 | ||||
| 578 | T | 38 | Very low | 37.4 | Very low | 104 Ų | 104 | 119 Ų | 119 | 64% | 0.638 | 70% | 0.703 | S | S | * | * | cis | 178.6 | 173.8 | -22.8 | -104.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 579 | T | 40 | Very low | 37.4 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | 73.3 | 150 | 159 | 40.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 580 | T | 41 | Very low | 37.5 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | cis | -178.5 | 134.8 | -27.3 | -102.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 581 | T | 40.2 | Very low | 37.5 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | 55.2 | 154.7 | 162.5 | 53.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 582 | G | 40.4 | Very low | 37.7 | Very low | 57 Ų | 57 | 119.8 Ų | 119.8 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | cis | 158.8 | -179.4 | -7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 583 | T | 39.8 | Very low | 37.5 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | 70.5 | 148.1 | 162.9 | 68 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 584 | T | 38.9 | Very low | 37.5 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | cis | -170.7 | 156.3 | -11.9 | 22.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 585 | T | 38.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 65.2 | 156.6 | 145.4 | 54.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 586 | T | 37.5 | Very low | 37.4 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | cis | -166.3 | 135.7 | -1.6 | 14.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 587 | T | 35.5 | Very low | 37.5 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 44 | 152.3 | 135.7 | 59.7 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 588 | S | 35.9 | Very low | 37.6 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 101.6 | 165.1 | 144 | 77.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 589 | T | 33.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | -161.3 | 177 | -82.6 | 22.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 590 | T | 35 | Very low | 37.3 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 80.3 | 162.4 | 166.8 | 69.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 591 | S | 34.1 | Very low | 37 | Very low | 87 Ų | 87 | 122.8 Ų | 122.8 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | 169.6 | 121.1 | -67.3 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 592 | Y | 36.4 | Very low | 36.7 | Very low | 229 Ų | 229 | 121 Ų | 121 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | trans | -151.3 | 168.8 | 174.5 | -64.6 | -67.3 | 0 | 0 | 0 | 117.4 | ||||
| 593 | S | 35.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -91.4 | 172.8 | -159.5 | 48.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 594 | L | 36.8 | Very low | 36.2 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | cis | -175.5 | 165.2 | -12.4 | -101.6 | 170.2 | 0 | 0 | 0 | 111.6 | ||||
| 595 | T | 34.3 | Very low | 35.8 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | 64.4 | 155.3 | 150.5 | 49.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 596 | T | 37.6 | Very low | 35.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | cis | -161.2 | 145.7 | 2.9 | 2.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 597 | S | 39.1 | Very low | 35.3 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | 45.1 | 132.1 | 144 | 65 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 598 | P | 40.8 | Very low | 35.1 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | trans | -114.5 | 178.4 | 162.2 | 41.6 | -32 | 0 | 0 | 0 | 114.8 | ||||
| 599 | F | 37.2 | Very low | 35.1 | Very low | 199 Ų | 199 | 123 Ų | 123 | 87% | 0.873 | 73% | 0.733 | S | S | * | * | trans | -147.4 | 159.1 | 170.9 | -98.7 | -78.3 | 0 | 0 | 0 | 115.9 | ||||
| 600 | T | 34.7 | Very low | 35.3 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -55 | 167.3 | 173 | 46.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 601 | S | 36 | Very low | 35.3 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | -173.8 | 170.4 | -7.9 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 602 | S | 33.5 | Very low | 35.6 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 70.3 | 145.2 | 139.7 | 60.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 603 | S | 35.4 | Very low | 35.5 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 87.9 | 92.5 | 147.2 | -58.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 604 | S | 32.9 | Very low | 35.6 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | 57.3 | 119.3 | 123.1 | 63.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 605 | S | 32 | Very low | 35.6 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 86.1 | 140 | 127.4 | 71.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 606 | S | 31.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | 75.9 | 105.4 | 155.1 | 58.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 607 | V | 34 | Very low | 35.4 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | 38.2 | 121.7 | 121.1 | -170.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 608 | F | 32.2 | Very low | 35.3 | Very low | 191 Ų | 191 | 123.6 Ų | 123.6 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | -173.8 | 142 | 111 | -98.1 | -63 | 0 | 0 | 0 | 115.7 | |||||
| 609 | S | 34.9 | Very low | 34.9 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | 16 | 144 | 154.8 | -56.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 610 | N | 37 | Very low | 34.7 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | -158.6 | 149.4 | 112.1 | -94.8 | -36.4 | 0 | 0 | 0 | 113.2 | |||||
| 611 | S | 35.3 | Very low | 34.4 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -112.7 | -156.4 | -174.6 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 612 | P | 41.5 | Very low | 34.1 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | cis | -124.1 | 158 | -10 | 14.5 | 13.3 | 0 | 0 | 0 | 115 | ||||
| 613 | R | 34.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 122.9 Ų | 122.9 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | 65.9 | 127.4 | 78.9 | -71.8 | -174.9 | 151.7 | -127.9 | -2.4 | 120 | |||||
| 614 | L | 36.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | -163.8 | 129 | 128.6 | -69.3 | -166.3 | 0 | 0 | 0 | 106.8 | |||||
| 615 | L | 36.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 51% | 0.513 | 70% | 0.701 | S | S | . | * | 74.6 | 130.2 | 66.8 | -65.1 | 170.6 | 0 | 0 | 0 | 113.2 | Y457 | Y457-L615 HydrophobicContact CE2-CD2 3.41Å; Y457-L615 VanDerWaalsContact CE2-CD2 3.41Å; Y457-L615 WeakPolarHBondContact OH-CD2 3.39Å | |||
| 616 | N | 34.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | cis | -142.6 | 158.5 | 18.5 | -100.8 | 13.4 | 0 | 0 | 0 | 111.6 | ||||
| 617 | N | 34.1 | Very low | 33.4 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 51% | 0.513 | 70% | 0.699 | S | S | . | * | 56.3 | 140.9 | 75.9 | -70.1 | 57.1 | 0 | 0 | 0 | 115.1 | |||||
| 618 | D | 36.7 | Very low | 33 | Very low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | cis | -159.5 | 141.7 | 1.3 | -104.5 | -45.4 | 0 | 0 | 0 | 107.7 | ||||
| 619 | N | 31.6 | Very low | 32.9 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | 93.2 | 154.7 | 72.1 | -162.6 | 10.6 | 0 | 0 | 0 | 115.7 | |||||
| 620 | V | 32.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 60% | 0.6 | 70% | 0.697 | S | S | * | * | trans | 85.2 | 103.5 | 160.9 | -166.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 621 | N | 29.3 | Very low | 32.2 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | trans | 63.3 | 146 | 138.7 | -62.3 | -3.7 | 0 | 0 | 0 | 125.3 | ||||
| 622 | N | 28.4 | Very low | 31.9 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | 66.2 | 151.1 | 145.2 | -70.2 | 4.7 | 0 | 0 | 0 | 118.5 | ||||
| 623 | S | 28.8 | Very low | 31.6 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | cis | -170.9 | 151.2 | -16.8 | 46.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 624 | E | 32.4 | Very low | 31.6 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | 63.6 | 169.1 | 169.9 | -63.3 | -177.9 | -141.2 | 0 | 0 | 113.7 | ||||
| 625 | N | 29.9 | Very low | 31.5 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | cis | -153.6 | 171.8 | -23.9 | -122.5 | -40.3 | 0 | 0 | 0 | 109.2 | ||||
| 626 | I | 30.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | 67.3 | 107.9 | 141 | -74.1 | 168.1 | 0 | 0 | 0 | 120.6 | ||||
| 627 | I | 28.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | 85.7 | 142.5 | 127.2 | -67.1 | -176.8 | 0 | 0 | 0 | 123 | |||||
| 628 | L | 27.6 | Very low | 31.8 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | -53.9 | 164.8 | 178 | -53 | 72.9 | 0 | 0 | 0 | 116.4 | ||||
| 629 | T | 29 | Very low | 31.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | 161.8 | 105.6 | 110.5 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 630 | T | 28.4 | Very low | 32 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | 71.5 | 146.7 | 79.2 | -39.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 631 | T | 29.2 | Very low | 32 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | trans | 86 | 152 | 165.8 | 74.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 632 | N | 29.4 | Very low | 32.2 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | cis | -165.2 | 154.5 | -20 | -103.3 | -8.9 | 0 | 0 | 0 | 111.1 | ||||
| 633 | T | 34.3 | Very low | 32.4 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | trans | 179.9 | 101.7 | 147.6 | 13.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 634 | T | 34.9 | Very low | 32.7 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | 81.6 | 102.7 | 53.5 | 67.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 635 | N | 35.2 | Very low | 32.7 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | 165.9 | 145.8 | 137.4 | -90.1 | -21.4 | 0 | 0 | 0 | 111.9 | ||||
| 636 | N | 36.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | cis | -163.7 | 162.1 | -31.2 | -136.7 | -6 | 0 | 0 | 0 | 112.1 | ||||
| 637 | N | 37.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 127 Ų | 127 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | trans | 72.4 | 109.6 | 154.9 | -62.1 | -13.3 | 0 | 0 | 0 | 122.8 | ||||
| 638 | N | 36.6 | Very low | 33.3 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | 72.2 | 139.5 | 117.8 | -55.3 | -7 | 0 | 0 | 0 | 120.3 | |||||
| 639 | N | 35.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | cis | -161.6 | 150.9 | 3.5 | -113.1 | -2.8 | 0 | 0 | 0 | 112.7 | ||||
| 640 | S | 38.4 | Very low | 33.7 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | 58.3 | 147.9 | 149.9 | 57.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 641 | N | 31.2 | Very low | 33.8 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | cis | -169.8 | 168.2 | -23.6 | -161.9 | 12.5 | 0 | 0 | 0 | 110.2 | ||||
| 642 | M | 34.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | trans | 73.4 | 80.1 | 162.1 | -66.9 | -67.9 | 160.8 | 0 | 0 | 120.7 | ||||
| 643 | D | 32.9 | Very low | 33.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | 55.7 | 140.3 | 111.2 | -94 | -45.6 | 0 | 0 | 0 | 126.3 | |||||
| 644 | C | 33.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | trans | 59.2 | 160 | 139.2 | 88.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 645 | D | 33.2 | Very low | 33.4 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | cis | -176.4 | 166.1 | -30.9 | -106.6 | -13.1 | 0 | 0 | 0 | 106.2 | ||||
| 646 | V | 34.7 | Very low | 33.3 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 56% | 0.564 | 71% | 0.706 | S | S | * | * | cis | -170.8 | 157.6 | -33.3 | 76.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 647 | K | 34.1 | Very low | 33 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | 75.7 | 150 | 154.1 | -75.3 | 166.6 | -152.9 | 153.5 | 0 | 123.7 | ||||
| 648 | H | 33.7 | Very low | 32.7 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | 67.1 | 145.1 | 153.1 | -70.9 | -64.1 | 0 | 0 | 0 | 118.9 | ||||
| 649 | D | 33.6 | Very low | 32.6 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | cis | -148 | 156.3 | 6.1 | -132.1 | -19.7 | 0 | 0 | 0 | 118 | ||||
| 650 | Q | 30.5 | Very low | 32.3 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | trans | -1.8 | 134.2 | 149.9 | -169.4 | -174 | 151.5 | 0 | 0 | 121.2 | ||||
| 651 | L | 31.3 | Very low | 31.8 | Very low | 177 Ų | 177 | 143 Ų | 143 | 93% | 0.927 | 73% | 0.729 | S | S | * | * | trans | -152.5 | 112.3 | 147.1 | -118.6 | 175.6 | 0 | 0 | 0 | 117.2 | ||||
| 652 | T | 28.2 | Very low | 31.9 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 53% | 0.534 | 74% | 0.737 | S | S | . | * | trans | -60.7 | 129.8 | -179.8 | -64.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 653 | I | 28.7 | Very low | 31.6 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 43.4 | 121.2 | 139.7 | -42.5 | 167.9 | 0 | 0 | 0 | 121.1 | ||||
| 654 | Q | 28.5 | Very low | 31.4 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | 173.7 | 145.8 | 119 | -97.6 | -171.7 | 78.7 | 0 | 0 | 114.6 | |||||
| 655 | G | 33.7 | Very low | 31 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 146.2 | 79.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 656 | K | 32.8 | Very low | 30.7 | Very low | 146 Ų | 146 | 145 Ų | 145 | 64% | 0.635 | 73% | 0.732 | S | S | * | * | 69 | 104.9 | 65.3 | -85.2 | 171.1 | 176.2 | 156 | 0 | 116.6 | |||||
| 657 | Y | 30 | Very low | 30.3 | Very low | 213 Ų | 213 | 147 Ų | 147 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 90.2 | 131.9 | 150.4 | -56.9 | -63.6 | 0 | 0 | 0 | 124 | ||||
| 658 | S | 31.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 102 | 111.4 | 134.1 | -125.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 659 | K | 33 | Very low | 29.8 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | -0.6 | 148.4 | 132.9 | -57.1 | 164.4 | -176.5 | 173.4 | 0 | 116.2 | ||||
| 660 | R | 30.2 | Very low | 29.4 | Very low | 218 Ų | 218 | 152.4 Ų | 152.4 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | -169.9 | 167.3 | 51.2 | -155.9 | 175.7 | -72.4 | 124.1 | -6.6 | 113.4 | |||||
| 661 | N | 26.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 155.2 | -173.8 | -49 | -29.5 | 0 | 0 | 0 | 116.8 | ||||
| 662 | K | 33.9 | Very low | 29.6 | Very low | 204 Ų | 204 | 151.1 Ų | 151.1 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -166.1 | 126.4 | 133.9 | -96 | 172.1 | -176.5 | -175.6 | 0 | 105.6 | ||||
| 663 | L | 27.6 | Very low | 29.9 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | cis | 65.4 | 104.9 | 18.1 | -107.2 | 176.5 | 0 | 0 | 0 | 114.5 | ||||
| 664 | L | 30.1 | Very low | 30.1 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | -158.3 | 135.5 | 114.9 | -129.7 | 72.7 | 0 | 0 | 0 | 111.2 | |||||
| 665 | S | 24.4 | Very low | 30.3 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -124.2 | 123 | 168.7 | 53.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 666 | N | 26.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 155.9 Ų | 155.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -142 | 124.1 | 179.7 | -89.4 | -0.9 | 0 | 0 | 0 | 109.8 | ||||
| 667 | T | 25.6 | Very low | 30 | Very low | 137 Ų | 137 | 156.4 Ų | 156.4 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | -179.1 | 115.2 | 127.1 | 39.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 668 | T | 27.5 | Very low | 30.1 | Very low | 133 Ų | 133 | 152 Ų | 152 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -173.8 | 165.5 | 155.8 | 5.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 669 | W | 30.2 | Very low | 30.1 | Very low | 242 Ų | 242 | 151.6 Ų | 151.6 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | 77.3 | 107.2 | -173.8 | -59.3 | 79.6 | 0 | 0 | 0 | 113.7 | ||||
| 670 | F | 25.1 | Very low | 30.1 | Very low | 179 Ų | 179 | 148 Ų | 148 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -71.9 | 160.9 | 163.3 | -61.5 | -110.7 | 0 | 0 | 0 | 109.1 | ||||
| 671 | D | 33.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | -144.5 | 157.9 | 129.7 | -85.6 | -44.5 | 0 | 0 | 0 | 106.2 | |||||
| 672 | D | 32.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -93.1 | 176.6 | -150.6 | -72 | -69.8 | 0 | 0 | 0 | 117.3 | ||||
| 673 | D | 34.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | 104.7 | 117.9 | 140.1 | -82.4 | -35.4 | 0 | 0 | 0 | 123.3 | ||||
| 674 | H | 34.2 | Very low | 31.1 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | 91.6 | 109.7 | 138.4 | -67.8 | 10.6 | 0 | 0 | 0 | 121.5 | ||||
| 675 | L | 31.7 | Very low | 31.5 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | 75.8 | 104.2 | 138.5 | -59.8 | 169.8 | 0 | 0 | 0 | 120.5 | ||||
| 676 | L | 29.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | 28.3 | 138.8 | 114.9 | -53.5 | 171.7 | 0 | 0 | 0 | 117.2 | |||||
| 677 | Q | 31.6 | Very low | 32.6 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | cis | -177.7 | 138.9 | 39.1 | -152.1 | 170.2 | -33.7 | 0 | 0 | 111 | ||||
| 678 | T | 31.2 | Very low | 33 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | trans | 51.9 | 158.3 | 148.5 | 54.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 679 | S | 31.6 | Very low | 33.4 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | cis | -168.1 | 135.6 | -20 | -95.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 680 | T | 34.6 | Very low | 33.6 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | trans | 31.1 | 126 | 136.5 | 65.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 681 | N | 33.3 | Very low | 34.2 | Very low | 109 Ų | 109 | 114 Ų | 114 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | 73.5 | 158.8 | 116.4 | -56.5 | -7.4 | 0 | 0 | 0 | 126.2 | |||||
| 682 | N | 33.9 | Very low | 34.1 | Very low | 97 Ų | 97 | 111.9 Ų | 111.9 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | trans | 67.8 | 125.4 | 149.2 | -58.1 | -10.3 | 0 | 0 | 0 | 127.3 | T111 L112 | T111-N682 WeakPolarHBondContact CG2-O 3.47Å; L112-N682 HydrophobicContact CD1-CB 4.28Å; L112-N682 HydrophobicContact CD2-CB 4.17Å; L112-N682 WeakPolarHBondContact CD2-OD1 3.47Å; L112-N682 HydrophobicContact CG-CB 3.68Å; L112-N682 VanDerWaalsContact CG-CG 3.49Å; L112-N682 WeakPolarHBondContact CG-OD1 2.86Å | ||
| 683 | G | 34.6 | Very low | 34.2 | Very low | 31 Ų | 31 | 113 Ų | 113 | 32% | 0.32 | 63% | 0.632 | S | S | . | * | cis | -150.7 | -169.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | T111 L112 | T111-G683 VanDerWaalsContact CG2-N 3.3Å; T111-G683 WeakPolarHBondContact OG1-CA 3.27Å; T111-G683 PolarHBondContact OG1-N 3.22Å; T111-G683 PolarHBondContact OG1-O 2.62Å; L112-G683 VanDerWaalsContact CG-CA 3.5Å | ||
| 684 | I | 37 | Very low | 33.9 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 54% | 0.538 | 62% | 0.623 | S | S | . | * | cis | 179.1 | 172.2 | 39.1 | -26.9 | 176.9 | 0 | 0 | 0 | 114.2 | L112 L113 | L112-I684 HydrophobicContact CD1-CB 4.49Å; L112-I684 HydrophobicContact CD1-CG1 4.41Å; L112-I684 HydrophobicContact CD1-CG2 4.13Å; L113-I684 HydrophobicContact CD1-CG2 3.58Å | ||
| 685 | H | 38.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 111.8 Ų | 111.8 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | trans | 106 | 135.3 | 146.7 | -61.6 | -61.6 | 0 | 0 | 0 | 121.4 | ||||
| 686 | G | 38.7 | Very low | 33.7 | Very low | 47 Ų | 47 | 109 Ų | 109 | 49% | 0.485 | 62% | 0.618 | S | S | . | * | cis | 173.4 | 167.9 | -8.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 687 | N | 35.6 | Very low | 33.7 | Very low | 164 Ų | 164 | 109.9 Ų | 109.9 | 88% | 0.877 | 62% | 0.616 | S | S | * | * | trans | 72.8 | 146.5 | 165.3 | -56.9 | -9.6 | 0 | 0 | 0 | 117.7 | ||||
| 688 | S | 34.8 | Very low | 33.5 | Very low | 87 Ų | 87 | 110.4 Ų | 110.4 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | cis | -154.3 | 152.5 | -5.7 | 93.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 689 | L | 34.2 | Very low | 33.3 | Very low | 79 Ų | 79 | 110.3 Ų | 110.3 | 41% | 0.414 | 62% | 0.615 | S | S | . | * | trans | 52.9 | 119.5 | 145.7 | -62.2 | 153.5 | 0 | 0 | 0 | 118.8 | T49 | T49-L689 HydrophobicContact CG2-CD1 4.34Š| ||
| 690 | S | 35 | Very low | 33 | Very low | 92 Ų | 92 | 113 Ų | 113 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | cis | 68.5 | 131 | 32.4 | -40.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 691 | P | 37.5 | Very low | 32.7 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 53% | 0.532 | 61% | 0.614 | S | S | . | * | -153.2 | 153.7 | 83.9 | 39.9 | -22.3 | 0 | 0 | 0 | 119.2 | |||||
| 692 | K | 33 | Very low | 32.5 | Very low | 120 Ų | 120 | 112.8 Ų | 112.8 | 52% | 0.522 | 62% | 0.622 | S | S | . | * | trans | 64.8 | 150.2 | 140 | -67.8 | 162.3 | -174.2 | 160.1 | 0 | 118.8 | T50 T51 N694 | T50-K692 WeakPolarHBondContact O-CE 3.21Å; T50-K692 PolarHBondContact O-NZ 2.97Å; T51-K692 PolarHBondContact O-NZ 3.02Å; K692-N694 WeakPolarHBondContact CG-OD1 3.44Å | ||
| 693 | L | 32.4 | Very low | 32.4 | Very low | 157 Ų | 157 | 115.1 Ų | 115.1 | 82% | 0.822 | 63% | 0.627 | S | S | * | * | cis | -107.9 | 145 | 3.2 | -67.2 | 162 | 0 | 0 | 0 | 109.9 | ||||
| 694 | N | 30 | Very low | 32.2 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 49% | 0.492 | 65% | 0.654 | S | S | . | * | cis | 70 | 135.1 | 46.2 | -59.5 | 43.5 | 0 | 0 | 0 | 110.7 | K692 | K692-N694 WeakPolarHBondContact CG-OD1 3.44Š| ||
| 695 | E | 31.5 | Very low | 32.1 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | cis | -163.5 | 170.1 | 2.8 | -103.4 | 153.2 | -137.2 | 0 | 0 | 106 | ||||
| 696 | S | 29.2 | Very low | 31.9 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | cis | -174.2 | 175.9 | -29.3 | 64.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 697 | K | 30.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 72% | 0.722 | 67% | 0.665 | S | S | * | * | trans | 36.7 | 135.5 | 147.1 | -74 | 170.8 | 168.7 | 175.9 | 0 | 120.2 | ||||
| 698 | F | 27.2 | Very low | 31.7 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | cis | -160 | 159.9 | 40.2 | -94.3 | -74 | 0 | 0 | 0 | 111.5 | ||||
| 699 | T | 26.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | trans | 47.8 | 130.1 | 153.2 | 54.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 700 | L | 26.2 | Very low | 32.3 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | cis | -171.3 | 174.9 | 49.2 | -157.5 | 72.6 | 0 | 0 | 0 | 111 | ||||
| 701 | S | 27.5 | Very low | 32.6 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 48% | 0.483 | 64% | 0.64 | S | S | . | * | trans | 65.9 | 116.4 | 156.6 | -88 | 0 | 0 | 0 | 0 | 122.9 | K703 | S701-K703 PolarHBondContact O-NZ 3.24Š| ||
| 702 | D | 28.4 | Very low | 33 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | 59 | 73.8 | 129.8 | -50.6 | -53.8 | 0 | 0 | 0 | 118.4 | |||||
| 703 | K | 33.4 | Very low | 33.8 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | trans | -145.4 | 128 | 145.5 | -68.8 | 90.2 | -149.7 | 154.8 | 0 | 108.9 | S701 | S701-K703 PolarHBondContact O-NZ 3.24Š| ||
| 704 | D | 29.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 118.4 Ų | 118.4 | 88% | 0.877 | 60% | 0.604 | S | S | * | * | trans | -179.2 | 41.3 | 133.7 | -89.7 | -8.9 | 0 | 0 | 0 | 110.5 | N706 | D704-N706 PolarHBondContact O-N 3.35Š| ||
| 705 | F | 34.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 116.5 Ų | 116.5 | 87% | 0.868 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -65.6 | 132 | 159.4 | -129 | -92.8 | 0 | 0 | 0 | 107.3 | I707 | F705-I707 VanDerWaalsContact C-N 3.32Å; F705-I707 PolarHBondContact O-N 2.98Å |
| 706 | N | 34.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | trans | -71.4 | 85 | -165 | -170.2 | -24.9 | 0 | 0 | 0 | 112.4 | D704 E708 S709 E710 | D704-N706 PolarHBondContact O-N 3.35Å; N706-E708 PolarHBondContact O-N 3.11Å; N706-E708 PolarHBondContact OD1-N 3.3Å; N706-S709 PolarHBondContact O-N 2.87Å; N706-S709 PolarHBondContact OD1-N 3.34Å; N706-E710 PolarHBondContact O-N 2.69Å | ||
| 707 | I | 35.3 | Very low | 37.8 | Very low | 108 Ų | 108 | 111.6 Ų | 111.6 | 55% | 0.554 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55.9 | -33.3 | 179.9 | -76 | 164.5 | 0 | 0 | 0 | 111.4 | F705 E710 I711 | F705-I707 VanDerWaalsContact C-N 3.32Å; F705-I707 PolarHBondContact O-N 2.98Å; I707-E710 PolarHBondContact O-N 2.99Å; I707-I711 HydrophobicContact CG2-CD1 3.54Å; I707-I711 HydrophobicContact CG2-CG1 4.2Å; I707-I711 VanDerWaalsContact O-CB 3.24Å; I707-I711 WeakPolarHBondContact O-CB 3.33Å; I707-I711 WeakPolarHBondContact O-CG1 3.26Å; I707-I711 PolarHBondContact O-N 3Å |
| 708 | E | 34.7 | Very low | 39 | Very low | 159 Ų | 159 | 105.3 Ų | 105.3 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77.7 | -36.2 | -176.3 | -157.2 | 158.2 | -136.9 | 0 | 0 | 112.2 | N706 S712 | N706-E708 PolarHBondContact O-N 3.11Å; N706-E708 PolarHBondContact OD1-N 3.3Å; E708-S712 PolarHBondContact O-N 3.16Å |
| 709 | S | 43.9 | Very low | 40.4 | Very low | 72 Ų | 72 | 101.2 Ų | 101.2 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 169 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | N706 S712 R713 | N706-S709 PolarHBondContact O-N 2.87Å; N706-S709 PolarHBondContact OD1-N 3.34Å; S709-S712 WeakPolarHBondContact O-CB 3.32Å; S709-S712 PolarHBondContact O-N 3.04Å; S709-S712 VanDerWaalsContact O-N 3.13Å; S709-R713 PolarHBondContact O-N 3.43Å; S709-R713 VanDerWaalsContact O-N 3.08Å |
| 710 | E | 38.2 | Very low | 41.7 | Very low | 62 Ų | 62 | 99.7 Ų | 99.7 | 29% | 0.29 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 177.6 | -175.5 | 58.8 | -166.7 | 0 | 0 | 111.5 | N706 I707 S712 R713 Q714 | N706-E710 PolarHBondContact O-N 2.69Å; I707-E710 PolarHBondContact O-N 2.99Å; E710-S712 PolarHBondContact O-N 3.05Å; E710-R713 PolarHBondContact O-N 3.36Å; E710-Q714 HydrophobicContact CG-CG 4.11Å; E710-Q714 WeakPolarHBondContact O-CA 3.48Å; E710-Q714 WeakPolarHBondContact O-CB 3.31Å; E710-Q714 VanDerWaalsContact O-CG 3.23Å; E710-Q714 WeakPolarHBondContact O-CG 3.3Å; E710-Q714 PolarHBondContact O-N 3.12Å; E710-Q714 WeakPolarHBondContact OE1-CG 3.22Å; E710-Q714 PolarHBondContact OE1-NE2 3.41Å |
| 711 | I | 41.2 | Very low | 42.9 | Very low | 94 Ų | 94 | 94.2 Ų | 94.2 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 168.4 | -77.1 | 168.9 | 0 | 0 | 0 | 111.2 | I707 S715 | I707-I711 HydrophobicContact CG2-CD1 3.54Å; I707-I711 HydrophobicContact CG2-CG1 4.2Å; I707-I711 VanDerWaalsContact O-CB 3.24Å; I707-I711 WeakPolarHBondContact O-CB 3.33Å; I707-I711 WeakPolarHBondContact O-CG1 3.26Å; I707-I711 PolarHBondContact O-N 3Å; I711-S715 WeakPolarHBondContact O-CA 3.37Å; I711-S715 WeakPolarHBondContact O-CB 3.23Å; I711-S715 PolarHBondContact O-N 3.08Å; I711-S715 PolarHBondContact O-OG 2.96Å |
| 712 | S | 44.9 | Very low | 44.2 | Very low | 74 Ų | 74 | 99.2 Ų | 99.2 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.4 | -42.2 | 175.8 | -160.7 | 0 | 0 | 0 | 0 | 112.3 | E708 S709 E710 S715 | E708-S712 PolarHBondContact O-N 3.16Å; S709-S712 WeakPolarHBondContact O-CB 3.32Å; S709-S712 PolarHBondContact O-N 3.04Å; S709-S712 VanDerWaalsContact O-N 3.13Å; E710-S712 PolarHBondContact O-N 3.05Å; S712-S715 PolarHBondContact O-OG 3.35Å; S712-S715 VanDerWaalsContact O-OG 3.09Å |
| 713 | R | 49.9 | Very low | 45.6 | Very low | 139 Ų | 139 | 97.9 Ų | 97.9 | 53% | 0.525 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 168.3 | -85.4 | -175.2 | 65 | 139.4 | -3 | 111.7 | S709 E710 S715 N716 L717 | S709-R713 PolarHBondContact O-N 3.43Å; S709-R713 VanDerWaalsContact O-N 3.08Å; E710-R713 PolarHBondContact O-N 3.36Å; R713-S715 VanDerWaalsContact C-N 3.35Å; R713-S715 PolarHBondContact O-N 3.28Å; R713-N716 PolarHBondContact O-N 3.49Å; R713-L717 PolarHBondContact O-N 3.39Å |
| 714 | Q | 49.2 | Very low | 46.3 | Very low | 14 Ų | 14 | 93.3 Ų | 93.3 | 7% | 0.065 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.4 | -25.1 | -176.7 | -71.5 | -175 | 7.5 | 0 | 0 | 112.9 | E710 L717 M718 S756 I786 | E710-Q714 HydrophobicContact CG-CG 4.11Å; E710-Q714 WeakPolarHBondContact O-CA 3.48Å; E710-Q714 WeakPolarHBondContact O-CB 3.31Å; E710-Q714 VanDerWaalsContact O-CG 3.23Å; E710-Q714 WeakPolarHBondContact O-CG 3.3Å; E710-Q714 PolarHBondContact O-N 3.12Å; E710-Q714 WeakPolarHBondContact OE1-CG 3.22Å; E710-Q714 PolarHBondContact OE1-NE2 3.41Å; Q714-L717 PolarHBondContact O-N 2.63Å; Q714-M718 WeakPolarHBondContact O-CA 3.45Å; Q714-M718 WeakPolarHBondContact O-CB 3.35Å; Q714-M718 WeakPolarHBondContact O-CG 3.3Å; Q714-M718 PolarHBondContact O-N 3.15Å; Q714-S756 PolarHBondContact NE2-OG 3.29Å; Q714-I786 VanDerWaalsContact OE1-CD1 3.26Å |
| 715 | S | 51.3 | Low | 47.2 | Very low | 52 Ų | 52 | 87.1 Ų | 87.1 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73.3 | -36.2 | 174.2 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | I711 S712 R713 N719 | I711-S715 WeakPolarHBondContact O-CA 3.37Å; I711-S715 WeakPolarHBondContact O-CB 3.23Å; I711-S715 PolarHBondContact O-N 3.08Å; I711-S715 PolarHBondContact O-OG 2.96Å; S712-S715 PolarHBondContact O-OG 3.35Å; S712-S715 VanDerWaalsContact O-OG 3.09Å; R713-S715 VanDerWaalsContact C-N 3.35Å; R713-S715 PolarHBondContact O-N 3.28Å; S715-N719 VanDerWaalsContact O-CB 3.27Å; S715-N719 WeakPolarHBondContact O-CB 3.23Å; S715-N719 PolarHBondContact O-N 2.93Å; S715-N719 PolarHBondContact O-ND2 3Å; S715-N719 VanDerWaalsContact O-ND2 3.14Å |
| 716 | N | 54.7 | Low | 48 | Very low | 117 Ų | 117 | 81.7 Ų | 81.7 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | 167.7 | -87.8 | -29.8 | 0 | 0 | 0 | 112.2 | R713 N719 L720 | R713-N716 PolarHBondContact O-N 3.49Å; N716-N719 PolarHBondContact O-N 2.7Å; N716-L720 WeakPolarHBondContact O-CB 3.29Å; N716-L720 PolarHBondContact O-N 3.42Å |
| 717 | L | 52.7 | Low | 48.4 | Very low | 28 Ų | 28 | 82.5 Ų | 82.5 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 174.7 | -108.1 | 163.2 | 0 | 0 | 0 | 112.8 | R713 Q714 L720 Y721 I753 | R713-L717 PolarHBondContact O-N 3.39Å; Q714-L717 PolarHBondContact O-N 2.63Å; L717-L720 PolarHBondContact O-N 2.86Å; L717-Y721 HydrophobicContact CD2-CD2 4.05Å; L717-Y721 HydrophobicContact CD2-CE2 3.71Å; L717-Y721 WeakPolarHBondContact O-CB 3.22Å; L717-Y721 VanDerWaalsContact O-CD2 3.29Å; L717-Y721 WeakPolarHBondContact O-CD2 3.3Å; L717-Y721 PolarHBondContact O-N 2.84Å; L717-I753 HydrophobicContact CD2-CG2 4.06Å |
| 718 | M | 54.8 | Low | 48.6 | Very low | 33 Ų | 33 | 78.2 Ų | 78.2 | 16% | 0.163 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69 | -37 | 173.2 | -75.2 | -67 | 104.9 | 0 | 0 | 110.9 | Q714 L720 Y721 R722 I759 V789 | Q714-M718 WeakPolarHBondContact O-CA 3.45Å; Q714-M718 WeakPolarHBondContact O-CB 3.35Å; Q714-M718 WeakPolarHBondContact O-CG 3.3Å; Q714-M718 PolarHBondContact O-N 3.15Å; M718-L720 VanDerWaalsContact C-N 3.32Å; M718-Y721 HydrophobicContact CE-CD2 4.03Å; M718-R722 WeakPolarHBondContact O-CA 3.37Å; M718-R722 WeakPolarHBondContact O-CB 3.5Å; M718-R722 PolarHBondContact O-N 3.39Å; M718-I759 HydrophobicContact CE-CD1 3.8Å; M718-V789 HydrophobicContact CE-CB 4.31Å; M718-V789 HydrophobicContact CE-CG1 4.18Å; M718-V789 HydrophobicContact CE-CG2 4.3Å; M718-V789 HydrophobicContact SD-CB 4.2Å; M718-V789 HydrophobicContact SD-CG2 3.63Å |
| 719 | N | 56.1 | Low | 48.7 | Very low | 80 Ų | 80 | 76.2 Ų | 76.2 | 43% | 0.428 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 171.2 | -76.6 | -29.3 | 0 | 0 | 0 | 111 | S715 N716 L723 | S715-N719 VanDerWaalsContact O-CB 3.27Å; S715-N719 WeakPolarHBondContact O-CB 3.23Å; S715-N719 PolarHBondContact O-N 2.93Å; S715-N719 PolarHBondContact O-ND2 3Å; S715-N719 VanDerWaalsContact O-ND2 3.14Å; N716-N719 PolarHBondContact O-N 2.7Å; N719-L723 VanDerWaalsContact O-CB 3.24Å; N719-L723 WeakPolarHBondContact O-CB 3.12Å; N719-L723 WeakPolarHBondContact O-CD1 3.31Å; N719-L723 WeakPolarHBondContact O-CG 3.39Å; N719-L723 PolarHBondContact O-N 2.9Å |
| 720 | L | 54.6 | Low | 48.3 | Very low | 87 Ų | 87 | 75 Ų | 75 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 175.7 | -160.5 | 77.6 | 0 | 0 | 0 | 111.9 | N716 L717 M718 L723 Y724 I753 | N716-L720 WeakPolarHBondContact O-CB 3.29Å; N716-L720 PolarHBondContact O-N 3.42Å; L717-L720 PolarHBondContact O-N 2.86Å; M718-L720 VanDerWaalsContact C-N 3.32Å; L720-L723 PolarHBondContact O-N 3.42Å; L720-Y724 WeakPolarHBondContact O-CB 3.35Å; L720-Y724 PolarHBondContact O-N 2.86Å; L720-I753 HydrophobicContact CD2-CD1 4.03Å |
| 721 | Y | 51 | Low | 48.5 | Very low | 37 Ų | 37 | 75.8 Ų | 75.8 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.3 | -83.1 | -58.9 | 0 | 0 | 0 | 112.5 | L717 M718 Y724 F725 I750 I759 | L717-Y721 HydrophobicContact CD2-CD2 4.05Å; L717-Y721 HydrophobicContact CD2-CE2 3.71Å; L717-Y721 WeakPolarHBondContact O-CB 3.22Å; L717-Y721 VanDerWaalsContact O-CD2 3.29Å; L717-Y721 WeakPolarHBondContact O-CD2 3.3Å; L717-Y721 PolarHBondContact O-N 2.84Å; M718-Y721 HydrophobicContact CE-CD2 4.03Å; Y721-Y724 PolarHBondContact O-N 3.3Å; Y721-F725 HydrophobicContact CD1-CD2 4.2Å; Y721-F725 AromaticContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CZ 4.25Å; Y721-F725 HydrophobicContact CE1-CE2 4.22Å; Y721-F725 HydrophobicContact CG-CE2 4.27Å; Y721-F725 WeakPolarHBondContact O-CB 3.26Å; Y721-F725 VanDerWaalsContact O-CD2 3.23Å; Y721-F725 WeakPolarHBondContact O-CD2 3.34Å; Y721-F725 PolarHBondContact O-N 3.2Å; Y721-I750 HydrophobicContact CE1-CG2 3.82Å; Y721-I759 HydrophobicContact CE2-CD1 4.39Å |
| 722 | R | 55.4 | Low | 48.9 | Very low | 175 Ų | 175 | 74.6 Ų | 74.6 | 66% | 0.66 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 175.7 | -171.3 | -178 | -155.6 | 164.2 | 8.3 | 110.5 | M718 S726 | M718-R722 WeakPolarHBondContact O-CA 3.37Å; M718-R722 WeakPolarHBondContact O-CB 3.5Å; M718-R722 PolarHBondContact O-N 3.39Å; R722-S726 WeakPolarHBondContact O-CB 3.01Å; R722-S726 PolarHBondContact O-N 2.84Å; R722-S726 PolarHBondContact O-OG 3.47Å |
| 723 | L | 57.8 | Low | 48.3 | Very low | 111 Ų | 111 | 78 Ų | 78 | 58% | 0.581 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 171 | -78.3 | 166.5 | 0 | 0 | 0 | 111.3 | N719 L720 N727 | N719-L723 VanDerWaalsContact O-CB 3.24Å; N719-L723 WeakPolarHBondContact O-CB 3.12Å; N719-L723 WeakPolarHBondContact O-CD1 3.31Å; N719-L723 WeakPolarHBondContact O-CG 3.39Å; N719-L723 PolarHBondContact O-N 2.9Å; L720-L723 PolarHBondContact O-N 3.42Å; L723-N727 WeakPolarHBondContact O-CB 3.36Å; L723-N727 PolarHBondContact O-N 2.85Å; L723-N727 VanDerWaalsContact O-N 3.14Å; L723-N727 PolarHBondContact O-ND2 2.78Å |
| 724 | Y | 47.1 | Very low | 47.4 | Very low | 51 Ų | 51 | 78.3 Ų | 78.3 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.9 | -52.9 | -178.8 | -174.7 | -99.5 | 0 | 0 | 0 | 112.5 | L720 Y721 S726 N727 D728 P746 P747 I750 | L720-Y724 WeakPolarHBondContact O-CB 3.35Å; L720-Y724 PolarHBondContact O-N 2.86Å; Y721-Y724 PolarHBondContact O-N 3.3Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 3.36Å; Y724-N727 WeakPolarHBondContact O-CA 3.41Å; Y724-N727 WeakPolarHBondContact O-CB 3.43Å; Y724-N727 PolarHBondContact O-N 2.81Å; Y724-D728 PolarHBondContact O-N 3.45Å; Y724-P746 HydrophobicContact CE1-CB 4.23Å; Y724-P747 HydrophobicContact CD2-CG 4.29Å; Y724-P747 HydrophobicContact CE2-CG 3.4Å; Y724-P747 WeakPolarHBondContact OH-CD 3.24Å; Y724-I750 HydrophobicContact CD1-CD1 3.6Å; Y724-I750 HydrophobicContact CD2-CD1 3.81Å; Y724-I750 HydrophobicContact CE1-CD1 4.14Å; Y724-I750 HydrophobicContact CE2-CD1 4.34Å; Y724-I750 HydrophobicContact CG-CD1 3.45Å; Y724-I750 VanDerWaalsContact CG-CD1 3.45Å |
| 725 | F | 48.7 | Very low | 46.6 | Very low | 34 Ų | 34 | 83.3 Ų | 83.3 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -74 | -17.5 | 179.2 | -64.4 | -57.5 | 0 | 0 | 0 | 113.7 | Y721 N727 H731 | Y721-F725 HydrophobicContact CD1-CD2 4.2Å; Y721-F725 AromaticContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CZ 4.25Å; Y721-F725 HydrophobicContact CE1-CE2 4.22Å; Y721-F725 HydrophobicContact CG-CE2 4.27Å; Y721-F725 WeakPolarHBondContact O-CB 3.26Å; Y721-F725 VanDerWaalsContact O-CD2 3.23Å; Y721-F725 WeakPolarHBondContact O-CD2 3.34Å; Y721-F725 PolarHBondContact O-N 3.2Å; F725-N727 VanDerWaalsContact C-N 3.29Å; F725-H731 VanDerWaalsContact O-CB 3.26Å; F725-H731 WeakPolarHBondContact O-CB 3.46Å |
| 726 | S | 52.2 | Low | 45.6 | Very low | 84 Ų | 84 | 87 Ų | 87 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.7 | 165.9 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | R722 Y724 | R722-S726 WeakPolarHBondContact O-CB 3.01Å; R722-S726 PolarHBondContact O-N 2.84Å; R722-S726 PolarHBondContact O-OG 3.47Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 3.36Å |
| 727 | N | 43.4 | Very low | 44.3 | Very low | 122 Ų | 122 | 84.7 Ų | 84.7 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -99.7 | -7.6 | 172.3 | -74.4 | -34.8 | 0 | 0 | 0 | 112.6 | L723 Y724 F725 P729 | L723-N727 WeakPolarHBondContact O-CB 3.36Å; L723-N727 PolarHBondContact O-N 2.85Å; L723-N727 VanDerWaalsContact O-N 3.14Å; L723-N727 PolarHBondContact O-ND2 2.78Å; Y724-N727 WeakPolarHBondContact O-CA 3.41Å; Y724-N727 WeakPolarHBondContact O-CB 3.43Å; Y724-N727 PolarHBondContact O-N 2.81Å; F725-N727 VanDerWaalsContact C-N 3.29Å; N727-P729 WeakPolarHBondContact O-CD 3.14Å |
| 728 | D | 39.7 | Very low | 43.3 | Very low | 17 Ų | 17 | 88.5 Ų | 88.5 | 9% | 0.091 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -75.2 | 115.6 | 167.1 | -159.6 | 5.5 | 0 | 0 | 0 | 108 | Y724 S730 H731 S744 | Y724-D728 PolarHBondContact O-N 3.45Å; D728-S730 PolarHBondContact O-N 3.09Å; D728-S730 PolarHBondContact OD2-OG 3.32Å; D728-H731 PolarHBondContact O-N 3.41Å; D728-S744 PolarHBondContact OD1-OG 2.95Å; D728-S744 WeakPolarHBondContact OD2-CB 3.32Å; D728-S744 PolarHBondContact OD2-N 3.18Å; D728-S744 PolarHBondContact OD2-OG 2.99Å |
| 729 | P | 35.5 | Very low | 42.4 | Very low | 118 Ų | 118 | 92.4 Ų | 92.4 | 77% | 0.766 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -4.4 | -168.1 | -22.9 | 35.1 | 0 | 0 | 0 | 115.4 | N727 | N727-P729 WeakPolarHBondContact O-CD 3.14Š|
| 730 | S | 36.5 | Very low | 41.9 | Very low | 45 Ų | 45 | 94.5 Ų | 94.5 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.1 | 173.8 | 55 | 0 | 0 | 0 | 0 | 113.6 | D728 N732 | D728-S730 PolarHBondContact O-N 3.09Å; D728-S730 PolarHBondContact OD2-OG 3.32Å; S730-N732 PolarHBondContact O-N 3.12Å; S730-N732 VanDerWaalsContact O-N 3.16Å |
| 731 | H | 41.2 | Very low | 41.5 | Very low | 80 Ų | 80 | 95.3 Ų | 95.3 | 37% | 0.37 | 49% | 0.493 | S | S | . | . | trans | -86.4 | 94.7 | -170.3 | -124.5 | -94.8 | 0 | 0 | 0 | 115.5 | F725 D728 Q792 | F725-H731 VanDerWaalsContact O-CB 3.26Å; F725-H731 WeakPolarHBondContact O-CB 3.46Å; D728-H731 PolarHBondContact O-N 3.41Å; H731-Q792 PolarHBondContact CE1-NE2 3.28Å; H731-Q792 VanDerWaalsContact CE1-NE2 3.25Å; H731-Q792 PolarHBondContact CE1-OE1 3.4Å; H731-Q792 WeakPolarHBondContact NE2-CG 3.35Å; H731-Q792 PolarHBondContact NE2-NE2 2.94Å; H731-Q792 PolarHBondContact NE2-OE1 2.9Å | ||
| 732 | N | 49.6 | Very low | 41.2 | Very low | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | 41.2 | 98.8 | 122.9 | -63.2 | -66.9 | 0 | 0 | 0 | 117.8 | S730 H735 | S730-N732 PolarHBondContact O-N 3.12Å; S730-N732 VanDerWaalsContact O-N 3.16Å; N732-H735 PolarHBondContact OD1-N 2.97Å | |||
| 733 | N | 34.1 | Very low | 40.7 | Very low | 146 Ų | 146 | 98 Ų | 98 | 78% | 0.781 | 51% | 0.511 | S | S | * | . | S | Bend | cis | 47.6 | 73.7 | -7 | -85.5 | -15.9 | 0 | 0 | 0 | 117.2 | ||
| 734 | N | 30.1 | Very low | 40.1 | Very low | 146 Ų | 146 | 94.8 Ų | 94.8 | 78% | 0.781 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 49.8 | 98.1 | 168.5 | -61.7 | -12.3 | 0 | 0 | 0 | 116 | ||
| 735 | H | 32.7 | Very low | 40.2 | Very low | 119 Ų | 119 | 97.5 Ų | 97.5 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | -164.9 | 110.2 | 122.6 | -101.8 | -48.8 | 0 | 0 | 0 | 113.6 | N732 N737 | N732-H735 PolarHBondContact OD1-N 2.97Å; H735-N737 HydrophobicContact CB-CB 4Å; H735-N737 VanDerWaalsContact CB-N 3.27Å; H735-N737 PolarHBondContact CE1-OD1 3.43Å; H735-N737 VanDerWaalsContact ND1-CB 3.32Å; H735-N737 WeakPolarHBondContact ND1-CB 3.24Å; H735-N737 PolarHBondContact ND1-N 2.61Å; H735-N737 PolarHBondContact ND1-OD1 3.01Å; H735-N737 PolarHBondContact O-N 3.14Å | |||
| 736 | Y | 29.2 | Very low | 39.9 | Very low | 130 Ų | 130 | 98.9 Ų | 98.9 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | -71.2 | 86.3 | 120.5 | -104.3 | -68.9 | 0 | 0 | 0 | 105.5 | N810 K813 | Y736-N810 PolarHBondContact OH-OD1 2.67Å; Y736-K813 HydrophobicContact CE2-CD 3.93Å; Y736-K813 VanDerWaalsContact OH-CD 3.26Å; Y736-K813 WeakPolarHBondContact OH-CD 3.48Å; Y736-K813 PolarHBondContact OH-NZ 3.41Å | |||
| 737 | N | 27.7 | Very low | 39.6 | Very low | 68 Ų | 68 | 96.7 Ų | 96.7 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | trans | -121.7 | 137.6 | 143.8 | -97.7 | 29.1 | 0 | 0 | 0 | 105.6 | H735 D739 | H735-N737 HydrophobicContact CB-CB 4Å; H735-N737 VanDerWaalsContact CB-N 3.27Å; H735-N737 PolarHBondContact CE1-OD1 3.43Å; H735-N737 VanDerWaalsContact ND1-CB 3.32Å; H735-N737 WeakPolarHBondContact ND1-CB 3.24Å; H735-N737 PolarHBondContact ND1-N 2.61Å; H735-N737 PolarHBondContact ND1-OD1 3.01Å; H735-N737 PolarHBondContact O-N 3.14Å; N737-D739 HydrophobicContact CB-CB 3.86Å; N737-D739 PolarHBondContact ND2-OD2 2.97Å; N737-D739 PolarHBondContact O-N 3.19Å | ||
| 738 | N | 32.9 | Very low | 39.5 | Very low | 107 Ų | 107 | 94.9 Ų | 94.9 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | trans | -70.4 | 73.6 | 147 | -67.2 | -37 | 0 | 0 | 0 | 107.2 | E806 | N738-E806 PolarHBondContact ND2-OE1 3.17Š| ||
| 739 | D | 34.8 | Very low | 39.8 | Very low | 115 Ų | 115 | 100 Ų | 100 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | trans | -146.6 | 142.6 | 169.9 | -86.5 | -51.9 | 0 | 0 | 0 | 112.1 | N737 | N737-D739 HydrophobicContact CB-CB 3.86Å; N737-D739 PolarHBondContact ND2-OD2 2.97Å; N737-D739 PolarHBondContact O-N 3.19Å | ||
| 740 | L | 46.5 | Very low | 40.4 | Very low | 124 Ų | 124 | 95.3 Ų | 95.3 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | trans | -77.3 | 120.8 | -174.4 | -78.7 | 47.5 | 0 | 0 | 0 | 110.6 | ||||
| 741 | T | 45.8 | Very low | 40.5 | Very low | 105 Ų | 105 | 97.4 Ų | 97.4 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | trans | -116.1 | 138.1 | 158.7 | 35.6 | 0 | 0 | 0 | 0 | 109.5 | C743 | T741-C743 PolarHBondContact O-N 3.25Å; T741-C743 VanDerWaalsContact O-N 3.16Å | ||
| 742 | Y | 45 | Very low | 40.6 | Very low | 218 Ų | 218 | 98.3 Ų | 98.3 | 86% | 0.855 | 54% | 0.541 | S | S | * | . | trans | -69.2 | 114.4 | -169.5 | -141.8 | -96.3 | 0 | 0 | 0 | 110.3 | S744 | Y742-S744 PolarHBondContact O-N 3.41Š| ||
| 743 | C | 44.7 | Very low | 40.1 | Very low | 49 Ų | 49 | 98.4 Ų | 98.4 | 33% | 0.331 | 54% | 0.541 | S | S | . | . | trans | -75.4 | 113.5 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 109.4 | T741 C796 | T741-C743 PolarHBondContact O-N 3.25Å; T741-C743 VanDerWaalsContact O-N 3.16Å; C743-C796 HydrophobicContact CB-CB 3.65Å; C743-C796 WeakPolarHBondContact CB-SG 3.5Å; C743-C796 WeakPolarHBondContact SG-CB 3.46Å; C743-C796 CovalentContact SG-SG 2.04Å; C743-C796 PolarHBondContact SG-SG 3.39Å | ||
| 744 | S | 44.8 | Very low | 40.7 | Very low | 45 Ų | 45 | 97.7 Ų | 97.7 | 32% | 0.315 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -62 | 132.8 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | D728 Y742 | D728-S744 PolarHBondContact OD1-OG 2.95Å; D728-S744 WeakPolarHBondContact OD2-CB 3.32Å; D728-S744 PolarHBondContact OD2-N 3.18Å; D728-S744 PolarHBondContact OD2-OG 2.99Å; Y742-S744 PolarHBondContact O-N 3.41Å |
| 745 | P | 48.3 | Very low | 41.8 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 131.4 | 171.7 | -24 | 33.8 | 0 | 0 | 0 | 110 | ||
| 746 | P | 44.2 | Very low | 43.4 | Very low | 62 Ų | 62 | 94 Ų | 94 | 40% | 0.403 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.9 | 175.5 | 27.1 | -34.5 | 0 | 0 | 0 | 109.6 | Y724 I750 | Y724-P746 HydrophobicContact CE1-CB 4.23Å; P746-I750 HydrophobicContact CB-CB 4.1Å; P746-I750 HydrophobicContact CB-CD1 4.2Å; P746-I750 HydrophobicContact CB-CG2 3.97Å |
| 747 | P | 45.7 | Very low | 45.8 | Very low | 38 Ų | 38 | 92.3 Ų | 92.3 | 25% | 0.247 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 160.2 | -167.9 | -9.9 | 28.8 | 0 | 0 | 0 | 109.7 | Y724 H749 I750 | Y724-P747 HydrophobicContact CD2-CG 4.29Å; Y724-P747 HydrophobicContact CE2-CG 3.4Å; Y724-P747 WeakPolarHBondContact OH-CD 3.24Å; P747-H749 PolarHBondContact O-N 3.25Å; P747-I750 PolarHBondContact O-N 2.95Å |
| 748 | A | 41.4 | Very low | 48.4 | Very low | 85 Ų | 85 | 91.2 Ų | 91.2 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S751 | A748-S751 WeakPolarHBondContact O-CB 3.38Š|
| 749 | H | 45.1 | Very low | 50.8 | Low | 124 Ų | 124 | 86.7 Ų | 86.7 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.8 | 173.2 | 60 | -109.8 | 0 | 0 | 0 | 114.2 | P747 I753 | P747-H749 PolarHBondContact O-N 3.25Å; H749-I753 WeakPolarHBondContact O-CG1 3.32Å |
| 750 | I | 48.3 | Very low | 53 | Low | 19 Ų | 19 | 83.5 Ų | 83.5 | 10% | 0.097 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -76.6 | -28.6 | 173.1 | -67.3 | -175 | 0 | 0 | 0 | 110.8 | Y721 Y724 P746 P747 S752 I753 | Y721-I750 HydrophobicContact CE1-CG2 3.82Å; Y724-I750 HydrophobicContact CD1-CD1 3.6Å; Y724-I750 HydrophobicContact CD2-CD1 3.81Å; Y724-I750 HydrophobicContact CE1-CD1 4.14Å; Y724-I750 HydrophobicContact CE2-CD1 4.34Å; Y724-I750 HydrophobicContact CG-CD1 3.45Å; Y724-I750 VanDerWaalsContact CG-CD1 3.45Å; P746-I750 HydrophobicContact CB-CB 4.1Å; P746-I750 HydrophobicContact CB-CD1 4.2Å; P746-I750 HydrophobicContact CB-CG2 3.97Å; P747-I750 PolarHBondContact O-N 2.95Å; I750-S752 PolarHBondContact O-N 3.1Å; I750-I753 PolarHBondContact O-N 3.31Å |
| 751 | S | 39.5 | Very low | 54.8 | Low | 89 Ų | 89 | 82 Ų | 82 | 62% | 0.622 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -54.8 | -19.5 | 174.7 | -47.6 | 0 | 0 | 0 | 0 | 114.3 | A748 | A748-S751 WeakPolarHBondContact O-CB 3.38Š|
| 752 | S | 42.8 | Very low | 56.6 | Low | 99 Ų | 99 | 77 Ų | 77 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -105.3 | -8.3 | -175.4 | -55.9 | 0 | 0 | 0 | 0 | 114.5 | I750 Q754 | I750-S752 PolarHBondContact O-N 3.1Å; S752-Q754 PolarHBondContact O-N 3.15Å |
| 753 | I | 39.4 | Very low | 58.5 | Low | 70 Ų | 70 | 66.7 Ų | 66.7 | 36% | 0.359 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -98 | 78 | -171.7 | -53.9 | 175.7 | 0 | 0 | 0 | 110.5 | L717 L720 H749 I750 Y755 | L717-I753 HydrophobicContact CD2-CG2 4.06Å; L720-I753 HydrophobicContact CD2-CD1 4.03Å; H749-I753 WeakPolarHBondContact O-CG1 3.32Å; I750-I753 PolarHBondContact O-N 3.31Å; I753-Y755 PolarHBondContact O-N 3.28Å |
| 754 | Q | 45.1 | Very low | 60.3 | Low | 132 Ų | 132 | 68.7 Ų | 68.7 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | trans | 22.7 | 89.6 | 160.8 | -66.6 | -172.3 | -20.8 | 0 | 0 | 117 | S752 S756 | S752-Q754 PolarHBondContact O-N 3.15Å; Q754-S756 PolarHBondContact O-N 3.1Å | ||
| 755 | Y | 53.7 | Low | 62.1 | Low | 178 Ų | 178 | 69.6 Ų | 69.6 | 70% | 0.698 | 39% | 0.386 | S | S | * | . | trans | -19 | 113.7 | 152.7 | -66.9 | -84.2 | 0 | 0 | 0 | 114.6 | I753 N760 | I753-Y755 PolarHBondContact O-N 3.28Å; Y755-N760 WeakPolarHBondContact CD1-ND2 3.47Å; Y755-N760 VanDerWaalsContact CD1-OD1 3.32Å; Y755-N760 WeakPolarHBondContact CD1-OD1 3.44Å | ||
| 756 | S | 67.4 | Low | 63.7 | Low | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | trans | -69.5 | 128.6 | 163.1 | 167.2 | 0 | 0 | 0 | 0 | 108.9 | Q714 Q754 I758 I759 N760 | Q714-S756 PolarHBondContact NE2-OG 3.29Å; Q754-S756 PolarHBondContact O-N 3.1Å; S756-I758 PolarHBondContact O-N 3.11Å; S756-I758 PolarHBondContact OG-N 3.12Å; S756-I759 PolarHBondContact O-N 3.03Å; S756-I759 VanDerWaalsContact O-N 3.15Å; S756-I759 PolarHBondContact OG-N 3.31Å; S756-N760 PolarHBondContact O-N 2.91Å; S756-N760 VanDerWaalsContact O-N 3.08Å | ||
| 757 | P | 79.3 | Confident | 65.4 | Low | 94 Ų | 94 | 63.6 Ų | 63.6 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57 | -31.7 | 175.6 | -25.5 | 34.8 | 0 | 0 | 0 | 112.9 | Q761 | P757-Q761 VanDerWaalsContact O-CB 3.3Å; P757-Q761 WeakPolarHBondContact O-CB 3.29Å; P757-Q761 PolarHBondContact O-N 3.35Å |
| 758 | I | 81.7 | Confident | 66.9 | Low | 46 Ų | 46 | 65.6 Ų | 65.6 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.6 | -40.4 | 179.8 | -52.7 | 177.8 | 0 | 0 | 0 | 110.6 | S756 N760 Q761 I762 F779 N783 I786 | S756-I758 PolarHBondContact O-N 3.11Å; S756-I758 PolarHBondContact OG-N 3.12Å; I758-N760 VanDerWaalsContact C-N 3.33Å; I758-N760 PolarHBondContact O-N 3.32Å; I758-Q761 PolarHBondContact O-N 3.2Å; I758-I762 HydrophobicContact CG2-CD1 3.81Å; I758-I762 HydrophobicContact CG2-CG1 4.36Å; I758-I762 WeakPolarHBondContact O-CB 3.45Å; I758-I762 WeakPolarHBondContact O-CD1 3.4Å; I758-I762 WeakPolarHBondContact O-CG1 3.09Å; I758-I762 PolarHBondContact O-N 2.97Å; I758-F779 HydrophobicContact CG2-CZ 4.45Å; I758-N783 HydrophobicContact CG2-CB 4.43Å; I758-I786 HydrophobicContact CB-CD1 4.28Å; I758-I786 HydrophobicContact CD1-CD1 4.36Å; I758-I786 HydrophobicContact CG2-CD1 3.77Å; I758-I786 HydrophobicContact CG2-CG2 4.33Å |
| 759 | I | 83.1 | Confident | 68.4 | Low | 11 Ų | 11 | 67.2 Ų | 67.2 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 172.8 | -67.2 | 174.7 | 0 | 0 | 0 | 109.6 | M718 Y721 S756 I762 L763 I786 | M718-I759 HydrophobicContact CE-CD1 3.8Å; Y721-I759 HydrophobicContact CE2-CD1 4.39Å; S756-I759 PolarHBondContact O-N 3.03Å; S756-I759 VanDerWaalsContact O-N 3.15Å; S756-I759 PolarHBondContact OG-N 3.31Å; I759-I762 PolarHBondContact O-N 3.43Å; I759-L763 VanDerWaalsContact O-CB 3.28Å; I759-L763 WeakPolarHBondContact O-CB 3.37Å; I759-L763 PolarHBondContact O-N 2.9Å; I759-I786 HydrophobicContact CB-CG2 4.45Å; I759-I786 HydrophobicContact CD1-CG2 4.5Å; I759-I786 HydrophobicContact CG1-CG2 3.46Å; I759-I786 VanDerWaalsContact CG1-CG2 3.46Å |
| 760 | N | 81.6 | Confident | 69.9 | Low | 49 Ų | 49 | 63.4 Ų | 63.4 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -50 | 177.1 | -73.8 | -6.8 | 0 | 0 | 0 | 111.6 | Y755 S756 I758 I762 L763 D764 | Y755-N760 WeakPolarHBondContact CD1-ND2 3.47Å; Y755-N760 VanDerWaalsContact CD1-OD1 3.32Å; Y755-N760 WeakPolarHBondContact CD1-OD1 3.44Å; S756-N760 PolarHBondContact O-N 2.91Å; S756-N760 VanDerWaalsContact O-N 3.08Å; I758-N760 VanDerWaalsContact C-N 3.33Å; I758-N760 PolarHBondContact O-N 3.32Å; N760-I762 VanDerWaalsContact C-N 3.27Å; N760-I762 PolarHBondContact O-N 2.88Å; N760-L763 CarbonylContact O-C 3.56Å; N760-L763 WeakPolarHBondContact O-CB 3.44Å; N760-L763 PolarHBondContact O-N 2.93Å; N760-D764 WeakPolarHBondContact O-CB 3.47Å; N760-D764 PolarHBondContact O-N 3.09Å |
| 761 | Q | 84.3 | Confident | 71.2 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | -179.4 | -172.8 | 172.3 | 52.7 | 0 | 0 | 113.3 | P757 I758 R765 F779 | P757-Q761 VanDerWaalsContact O-CB 3.3Å; P757-Q761 WeakPolarHBondContact O-CB 3.29Å; P757-Q761 PolarHBondContact O-N 3.35Å; I758-Q761 PolarHBondContact O-N 3.2Å; Q761-R765 WeakPolarHBondContact O-CD 3.19Å; Q761-R765 VanDerWaalsContact O-CG 3.27Å; Q761-R765 WeakPolarHBondContact O-CG 3.45Å; Q761-R765 PolarHBondContact O-N 3.37Å; Q761-F779 HydrophobicContact CB-CZ 4.13Å; Q761-F779 HydrophobicContact CG-CE1 4.05Å; Q761-F779 HydrophobicContact CG-CE2 4.5Å; Q761-F779 HydrophobicContact CG-CZ 3.68Å |
| 762 | I | 83.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.5 | -46.3 | 171.3 | -67 | 164.4 | 0 | 0 | 0 | 110.4 | I758 I759 N760 D764 R765 L766 F779 F780 N783 I786 T787 A790 | I758-I762 HydrophobicContact CG2-CD1 3.81Å; I758-I762 HydrophobicContact CG2-CG1 4.36Å; I758-I762 WeakPolarHBondContact O-CB 3.45Å; I758-I762 WeakPolarHBondContact O-CD1 3.4Å; I758-I762 WeakPolarHBondContact O-CG1 3.09Å; I758-I762 PolarHBondContact O-N 2.97Å; I759-I762 PolarHBondContact O-N 3.43Å; N760-I762 VanDerWaalsContact C-N 3.27Å; N760-I762 PolarHBondContact O-N 2.88Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 2.81Å; I762-R765 PolarHBondContact O-N 2.96Å; I762-L766 HydrophobicContact CG2-CD1 3.81Å; I762-L766 HydrophobicContact CG2-CG 4.3Å; I762-L766 WeakPolarHBondContact O-CB 3.43Å; I762-L766 VanDerWaalsContact O-CG 3.27Å; I762-L766 WeakPolarHBondContact O-CG 3.49Å; I762-L766 PolarHBondContact O-N 3.41Å; I762-F779 HydrophobicContact CB-CE1 4.41Å; I762-F779 HydrophobicContact CG1-CD1 4.27Å; I762-F779 HydrophobicContact CG1-CE1 3.44Å; I762-F779 VanDerWaalsContact CG1-CE1 3.44Å; I762-F779 HydrophobicContact CG1-CZ 4.06Å; I762-F780 HydrophobicContact CB-CE1 4.41Å; I762-F780 HydrophobicContact CG2-CD1 3.98Å; I762-F780 HydrophobicContact CG2-CE1 3.77Å; I762-N783 HydrophobicContact CD1-CB 3.84Å; I762-I786 HydrophobicContact CD1-CB 3.79Å; I762-I786 HydrophobicContact CD1-CG2 3.6Å; I762-T787 HydrophobicContact CG2-CG2 4.1Å; I762-A790 HydrophobicContact CB-CB 3.98Å; I762-A790 HydrophobicContact CG2-CB 3.35Å |
| 763 | L | 83.7 | Confident | 75 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | -179.4 | -152 | 75.4 | 0 | 0 | 0 | 111.5 | I759 N760 L766 T767 A790 Q793 A794 R797 | I759-L763 VanDerWaalsContact O-CB 3.28Å; I759-L763 WeakPolarHBondContact O-CB 3.37Å; I759-L763 PolarHBondContact O-N 2.9Å; N760-L763 CarbonylContact O-C 3.56Å; N760-L763 WeakPolarHBondContact O-CB 3.44Å; N760-L763 PolarHBondContact O-N 2.93Å; L763-L766 PolarHBondContact O-N 2.97Å; L763-T767 HydrophobicContact CG-CG2 4.46Å; L763-T767 VanDerWaalsContact O-CB 3.26Å; L763-T767 WeakPolarHBondContact O-CB 3.49Å; L763-T767 WeakPolarHBondContact O-CG2 3.45Å; L763-T767 PolarHBondContact O-N 3.12Å; L763-T767 PolarHBondContact O-OG1 3.05Å; L763-A790 HydrophobicContact CD1-CB 4.21Å; L763-A790 VanDerWaalsContact CD1-O 3.24Å; L763-A790 WeakPolarHBondContact CD1-O 3.41Å; L763-Q793 HydrophobicContact CD1-CB 3.84Å; L763-Q793 HydrophobicContact CD1-CG 3.92Å; L763-Q793 HydrophobicContact CD2-CG 4.18Å; L763-A794 HydrophobicContact CD1-CB 3.87Å; L763-R797 VanDerWaalsContact CD2-CZ 3.5Å |
| 764 | D | 82.4 | Confident | 77 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -52.5 | 175.5 | -64.5 | -23.6 | 0 | 0 | 0 | 110.1 | N760 I762 L766 T767 D768 | N760-D764 WeakPolarHBondContact O-CB 3.47Å; N760-D764 PolarHBondContact O-N 3.09Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 2.81Å; D764-L766 VanDerWaalsContact C-N 3.26Å; D764-L766 PolarHBondContact O-N 3.11Å; D764-T767 PolarHBondContact O-N 3.39Å; D764-T767 VanDerWaalsContact O-N 3.07Å; D764-T767 PolarHBondContact O-OG1 2.89Å; D764-D768 WeakPolarHBondContact O-CB 3.33Å; D764-D768 PolarHBondContact O-N 2.93Å |
| 765 | R | 84.5 | Confident | 78.9 | Confident | 63 Ų | 63 | 68 Ų | 68 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.9 | -33.8 | 175.8 | -69.2 | 169.9 | -175.7 | -112.1 | 13.7 | 113.5 | Q761 I762 D776 F779 F780 K804 | Q761-R765 WeakPolarHBondContact O-CD 3.19Å; Q761-R765 VanDerWaalsContact O-CG 3.27Å; Q761-R765 WeakPolarHBondContact O-CG 3.45Å; Q761-R765 PolarHBondContact O-N 3.37Å; I762-R765 PolarHBondContact O-N 2.96Å; R765-D776 WeakPolarHBondContact CD-OD1 3.29Å; R765-D776 WeakPolarHBondContact CG-OD1 3.47Å; R765-D776 IonicContact CZ-OD1 3.59Å; R765-D776 IonicContact NE-OD1 3.74Å; R765-D776 IonicContact NH1-OD1 2.69Å; R765-D776 PolarHBondContact NH1-OD1 3.44Å; R765-F779 VanDerWaalsContact CD-CD1 3.45Å; R765-F780 HydrophobicContact CB-CE1 4.07Å; R765-F780 HydrophobicContact CB-CZ 3.65Å; R765-K804 PolarHBondContact O-NZ 2.69Å |
| 766 | L | 81.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.4 | -37.1 | 174.2 | -72.8 | 173.7 | 0 | 0 | 0 | 112.9 | I762 L763 D764 F780 A790 I791 A794 I801 K804 I805 V808 | I762-L766 HydrophobicContact CG2-CD1 3.81Å; I762-L766 HydrophobicContact CG2-CG 4.3Å; I762-L766 WeakPolarHBondContact O-CB 3.43Å; I762-L766 VanDerWaalsContact O-CG 3.27Å; I762-L766 WeakPolarHBondContact O-CG 3.49Å; I762-L766 PolarHBondContact O-N 3.41Å; L763-L766 PolarHBondContact O-N 2.97Å; D764-L766 VanDerWaalsContact C-N 3.26Å; D764-L766 PolarHBondContact O-N 3.11Å; L766-F780 HydrophobicContact CD2-CE1 4.18Å; L766-F780 HydrophobicContact CD2-CE2 4.41Å; L766-F780 HydrophobicContact CD2-CZ 3.9Å; L766-F780 HydrophobicContact CG-CE1 4.02Å; L766-F780 HydrophobicContact CG-CZ 4.03Å; L766-A790 HydrophobicContact CD1-CB 4.28Å; L766-I791 HydrophobicContact CD1-CG1 3.82Å; L766-I791 HydrophobicContact CD2-CG1 4.39Å; L766-A794 HydrophobicContact CB-CB 4.26Å; L766-A794 HydrophobicContact CD1-CB 4.14Å; L766-I801 WeakPolarHBondContact O-CG2 3.35Å; L766-K804 WeakPolarHBondContact O-CD 3.37Å; L766-I805 HydrophobicContact CD2-CG1 4.28Å; L766-V808 HydrophobicContact CD2-CG2 4.03Å |
| 767 | T | 78.5 | Confident | 81.2 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -90.5 | -19.3 | -175.4 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | L763 D764 I801 | L763-T767 HydrophobicContact CG-CG2 4.46Å; L763-T767 VanDerWaalsContact O-CB 3.26Å; L763-T767 WeakPolarHBondContact O-CB 3.49Å; L763-T767 WeakPolarHBondContact O-CG2 3.45Å; L763-T767 PolarHBondContact O-N 3.12Å; L763-T767 PolarHBondContact O-OG1 3.05Å; D764-T767 PolarHBondContact O-N 3.39Å; D764-T767 VanDerWaalsContact O-N 3.07Å; D764-T767 PolarHBondContact O-OG1 2.89Å; T767-I801 HydrophobicContact CG2-CD1 3.52Å |
| 768 | D | 78.5 | Confident | 81.4 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 43% | 0.428 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -57.4 | 144.7 | 171.3 | 178.9 | 11 | 0 | 0 | 0 | 111.4 | D764 S770 K804 | D764-D768 WeakPolarHBondContact O-CB 3.33Å; D764-D768 PolarHBondContact O-N 2.93Å; D768-S770 VanDerWaalsContact C-N 3.35Å; D768-S770 PolarHBondContact OD1-N 3.31Å; D768-S770 WeakPolarHBondContact OD2-CB 3.42Å; D768-S770 PolarHBondContact OD2-OG 3.18Å; D768-K804 WeakPolarHBondContact O-CE 3.45Å; D768-K804 PolarHBondContact O-NZ 2.79Å |
| 769 | S | 72.8 | Confident | 81.6 | Confident | 119 Ų | 119 | 61.4 Ų | 61.4 | 83% | 0.832 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -84.9 | -4.1 | 178.4 | 57 | 0 | 0 | 0 | 0 | 114.2 | ||
| 770 | S | 76.6 | Confident | 81.8 | Confident | 43 Ų | 43 | 61 Ų | 61 | 30% | 0.301 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -50.4 | 157.4 | 169.2 | 60.3 | 0 | 0 | 0 | 0 | 114 | D768 K804 | D768-S770 VanDerWaalsContact C-N 3.35Å; D768-S770 PolarHBondContact OD1-N 3.31Å; D768-S770 WeakPolarHBondContact OD2-CB 3.42Å; D768-S770 PolarHBondContact OD2-OG 3.18Å; S770-K804 WeakPolarHBondContact O-CE 3.3Å; S770-K804 PolarHBondContact O-NZ 3.03Å; S770-K804 PolarHBondContact OG-NZ 3.44Å |
| 771 | L | 74.9 | Confident | 81.9 | Confident | 162 Ų | 162 | 61.7 Ų | 61.7 | 85% | 0.848 | 33% | 0.328 | S | S | * | . | trans | -72 | 143.9 | 163.3 | -71.5 | 173.8 | 0 | 0 | 0 | 110.1 | T773 | L771-T773 PolarHBondContact O-N 2.87Š| ||
| 772 | L | 81 | Confident | 82 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | trans | -63.8 | 114 | 179.6 | -150.4 | 77.1 | 0 | 0 | 0 | 110.1 | D776 V777 F780 K804 I807 V808 | L772-D776 HydrophobicContact CD1-CB 4.45Å; L772-D776 HydrophobicContact CG-CB 4.36Å; L772-V777 HydrophobicContact CD2-CG2 3.64Å; L772-V777 HydrophobicContact CG-CG2 4.13Å; L772-F780 HydrophobicContact CD1-CE2 3.79Å; L772-F780 HydrophobicContact CG-CE2 4.48Å; L772-K804 HydrophobicContact CD1-CD 4.21Å; L772-K804 HydrophobicContact CD1-CG 4.22Å; L772-I807 HydrophobicContact CD2-CB 4.36Å; L772-I807 HydrophobicContact CD2-CG2 3.69Å; L772-V808 HydrophobicContact CD1-CG2 3.88Å; L772-V808 HydrophobicContact CD2-CG2 3.66Å; L772-V808 HydrophobicContact CG-CG2 4.39Å | ||
| 773 | T | 82 | Confident | 81.9 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -80.6 | 165.9 | 179.7 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | L771 D775 D776 V777 | L771-T773 PolarHBondContact O-N 2.87Å; T773-D775 VanDerWaalsContact C-N 3.29Å; T773-D775 PolarHBondContact O-N 3.33Å; T773-D776 WeakPolarHBondContact CB-OD2 3.48Å; T773-D776 PolarHBondContact N-OD2 3.1Å; T773-D776 WeakPolarHBondContact O-CB 3.45Å; T773-D776 PolarHBondContact O-N 2.76Å; T773-D776 PolarHBondContact OG1-N 3Å; T773-D776 PolarHBondContact OG1-OD2 2.76Å; T773-V777 PolarHBondContact O-N 2.74Å; T773-V777 VanDerWaalsContact O-N 3.15Å | ||
| 774 | H | 80.8 | Confident | 81.8 | Confident | 131 Ų | 131 | 69.2 Ų | 69.2 | 61% | 0.606 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 172.7 | -171.9 | 15.2 | 0 | 0 | 0 | 111 | D776 V777 E778 | H774-D776 VanDerWaalsContact C-N 3.3Å; H774-D776 PolarHBondContact O-N 3.43Å; H774-V777 PolarHBondContact O-N 3.2Å; H774-V777 VanDerWaalsContact O-N 3.08Å; H774-E778 PolarHBondContact O-N 2.98Å |
| 775 | D | 85.5 | Confident | 81.6 | Confident | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.6 | -34.8 | 176 | -57.8 | 27.4 | 0 | 0 | 0 | 112.4 | T773 F779 | T773-D775 VanDerWaalsContact C-N 3.29Å; T773-D775 PolarHBondContact O-N 3.33Å; D775-F779 WeakPolarHBondContact O-CB 3.26Å; D775-F779 PolarHBondContact O-N 3.3Å |
| 776 | D | 85.3 | Confident | 81.5 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 170.9 | -66.7 | -52.9 | 0 | 0 | 0 | 111 | R765 L772 T773 H774 E778 F779 F780 | R765-D776 WeakPolarHBondContact CD-OD1 3.29Å; R765-D776 WeakPolarHBondContact CG-OD1 3.47Å; R765-D776 IonicContact CZ-OD1 3.59Å; R765-D776 IonicContact NE-OD1 3.74Å; R765-D776 IonicContact NH1-OD1 2.69Å; R765-D776 PolarHBondContact NH1-OD1 3.44Å; L772-D776 HydrophobicContact CD1-CB 4.45Å; L772-D776 HydrophobicContact CG-CB 4.36Å; T773-D776 WeakPolarHBondContact CB-OD2 3.48Å; T773-D776 PolarHBondContact N-OD2 3.1Å; T773-D776 WeakPolarHBondContact O-CB 3.45Å; T773-D776 PolarHBondContact O-N 2.76Å; T773-D776 PolarHBondContact OG1-N 3Å; T773-D776 PolarHBondContact OG1-OD2 2.76Å; H774-D776 VanDerWaalsContact C-N 3.3Å; H774-D776 PolarHBondContact O-N 3.43Å; D776-E778 PolarHBondContact O-N 3.32Å; D776-F779 WeakPolarHBondContact O-CB 3.22Å; D776-F779 PolarHBondContact O-N 3.11Å; D776-F779 VanDerWaalsContact O-N 3.17Å; D776-F780 HydrophobicContact CB-CD2 4.32Å; D776-F780 HydrophobicContact CB-CE2 3.77Å; D776-F780 HydrophobicContact CB-CZ 4.4Å; D776-F780 WeakPolarHBondContact O-CD2 3.4Å; D776-F780 WeakPolarHBondContact O-CG 3.21Å; D776-F780 PolarHBondContact O-N 3.08Å |
| 777 | V | 83.8 | Confident | 81.7 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 179 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | L772 T773 H774 F780 I781 Q811 | L772-V777 HydrophobicContact CD2-CG2 3.64Å; L772-V777 HydrophobicContact CG-CG2 4.13Å; T773-V777 PolarHBondContact O-N 2.74Å; T773-V777 VanDerWaalsContact O-N 3.15Å; H774-V777 PolarHBondContact O-N 3.2Å; H774-V777 VanDerWaalsContact O-N 3.08Å; V777-F780 PolarHBondContact O-N 3.26Å; V777-I781 HydrophobicContact CG1-CD1 3.79Å; V777-I781 HydrophobicContact CG1-CG1 4.49Å; V777-I781 WeakPolarHBondContact O-CB 3.41Å; V777-I781 VanDerWaalsContact O-CG1 3.26Å; V777-I781 WeakPolarHBondContact O-CG1 3.49Å; V777-I781 PolarHBondContact O-N 3.28Å; V777-Q811 HydrophobicContact CG1-CB 4.21Å; V777-Q811 HydrophobicContact CG1-CG 4.38Å |
| 778 | E | 82.2 | Confident | 81.8 | Confident | 121 Ų | 121 | 69.4 Ų | 69.4 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 172.8 | -70.1 | -146.6 | 145.5 | 0 | 0 | 112.2 | H774 D776 F780 I781 K782 | H774-E778 PolarHBondContact O-N 2.98Å; D776-E778 PolarHBondContact O-N 3.32Å; E778-F780 PolarHBondContact O-N 2.85Å; E778-I781 PolarHBondContact O-N 3Å; E778-K782 VanDerWaalsContact O-CB 3.23Å; E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 PolarHBondContact O-N 3Å |
| 779 | F | 85.9 | Confident | 81.7 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 177.1 | 178.6 | -101.3 | 0 | 0 | 0 | 112.4 | I758 Q761 I762 R765 D775 D776 N783 | I758-F779 HydrophobicContact CG2-CZ 4.45Å; Q761-F779 HydrophobicContact CB-CZ 4.13Å; Q761-F779 HydrophobicContact CG-CE1 4.05Å; Q761-F779 HydrophobicContact CG-CE2 4.5Å; Q761-F779 HydrophobicContact CG-CZ 3.68Å; I762-F779 HydrophobicContact CB-CE1 4.41Å; I762-F779 HydrophobicContact CG1-CD1 4.27Å; I762-F779 HydrophobicContact CG1-CE1 3.44Å; I762-F779 VanDerWaalsContact CG1-CE1 3.44Å; I762-F779 HydrophobicContact CG1-CZ 4.06Å; R765-F779 VanDerWaalsContact CD-CD1 3.45Å; D775-F779 WeakPolarHBondContact O-CB 3.26Å; D775-F779 PolarHBondContact O-N 3.3Å; D776-F779 WeakPolarHBondContact O-CB 3.22Å; D776-F779 PolarHBondContact O-N 3.11Å; D776-F779 VanDerWaalsContact O-N 3.17Å; F779-N783 WeakPolarHBondContact CD2-ND2 3.41Å; F779-N783 WeakPolarHBondContact CE2-ND2 3.34Å; F779-N783 WeakPolarHBondContact O-CB 3.44Å; F779-N783 PolarHBondContact O-N 3Å; F779-N783 VanDerWaalsContact O-N 3.08Å; F779-N783 PolarHBondContact O-ND2 3.02Å |
| 780 | F | 87.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 174.3 | -64.7 | -43.3 | 0 | 0 | 0 | 112.5 | I762 R765 L766 L772 D776 V777 E778 N783 F784 T787 V808 | I762-F780 HydrophobicContact CB-CE1 4.41Å; I762-F780 HydrophobicContact CG2-CD1 3.98Å; I762-F780 HydrophobicContact CG2-CE1 3.77Å; R765-F780 HydrophobicContact CB-CE1 4.07Å; R765-F780 HydrophobicContact CB-CZ 3.65Å; L766-F780 HydrophobicContact CD2-CE1 4.18Å; L766-F780 HydrophobicContact CD2-CE2 4.41Å; L766-F780 HydrophobicContact CD2-CZ 3.9Å; L766-F780 HydrophobicContact CG-CE1 4.02Å; L766-F780 HydrophobicContact CG-CZ 4.03Å; L772-F780 HydrophobicContact CD1-CE2 3.79Å; L772-F780 HydrophobicContact CG-CE2 4.48Å; D776-F780 HydrophobicContact CB-CD2 4.32Å; D776-F780 HydrophobicContact CB-CE2 3.77Å; D776-F780 HydrophobicContact CB-CZ 4.4Å; D776-F780 WeakPolarHBondContact O-CD2 3.4Å; D776-F780 WeakPolarHBondContact O-CG 3.21Å; D776-F780 PolarHBondContact O-N 3.08Å; V777-F780 PolarHBondContact O-N 3.26Å; E778-F780 PolarHBondContact O-N 2.85Å; F780-N783 CarbonylContact O-C 3.3Å; F780-N783 VanDerWaalsContact O-C 3.3Å; F780-N783 PolarHBondContact O-N 3.06Å; F780-F784 WeakPolarHBondContact O-CA 3.24Å; F780-F784 PolarHBondContact O-N 3.15Å; F780-F784 VanDerWaalsContact O-N 3.13Å; F780-T787 HydrophobicContact CB-CG2 3.99Å; F780-T787 HydrophobicContact CD1-CG2 3.72Å; F780-T787 HydrophobicContact CG-CG2 4.07Å; F780-T787 PolarHBondContact O-OG1 3.35Å; F780-V808 HydrophobicContact CB-CG1 4.04Å; F780-V808 HydrophobicContact CD2-CB 4.43Å; F780-V808 HydrophobicContact CD2-CG1 3.85Å; F780-V808 HydrophobicContact CD2-CG2 3.6Å; F780-V808 HydrophobicContact CE2-CG2 3.63Å; F780-V808 HydrophobicContact CG-CG1 3.94Å; F780-V808 HydrophobicContact CG-CG2 4.46Å; F780-V808 HydrophobicContact CZ-CG2 4.48Å |
| 781 | I | 84.3 | Confident | 82.4 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 33% | 0.328 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175 | -70.7 | 165.7 | 0 | 0 | 0 | 110.2 | V777 E778 N783 F784 L812 | V777-I781 HydrophobicContact CG1-CD1 3.79Å; V777-I781 HydrophobicContact CG1-CG1 4.49Å; V777-I781 WeakPolarHBondContact O-CB 3.41Å; V777-I781 VanDerWaalsContact O-CG1 3.26Å; V777-I781 WeakPolarHBondContact O-CG1 3.49Å; V777-I781 PolarHBondContact O-N 3.28Å; E778-I781 PolarHBondContact O-N 3Å; I781-N783 VanDerWaalsContact C-N 3.29Å; I781-N783 PolarHBondContact O-N 2.82Å; I781-F784 PolarHBondContact O-N 3.42Å; I781-L812 HydrophobicContact CB-CD2 4.44Å; I781-L812 HydrophobicContact CG1-CD2 3.86Å |
| 782 | K | 85.8 | Confident | 82.5 | Confident | 148 Ų | 148 | 53.7 Ų | 53.7 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.6 | -35.4 | 177.6 | -174.4 | -179.2 | 178.8 | -174.3 | 0 | 112.7 | E778 | E778-K782 VanDerWaalsContact O-CB 3.23Å; E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 PolarHBondContact O-N 3Å |
| 783 | N | 82.3 | Confident | 82.2 | Confident | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 37.9 | -179.2 | -61.1 | -78.6 | 0 | 0 | 0 | 112.2 | I758 I762 F779 F780 I781 E785 I786 T787 | I758-N783 HydrophobicContact CG2-CB 4.43Å; I762-N783 HydrophobicContact CD1-CB 3.84Å; F779-N783 WeakPolarHBondContact CD2-ND2 3.41Å; F779-N783 WeakPolarHBondContact CE2-ND2 3.34Å; F779-N783 WeakPolarHBondContact O-CB 3.44Å; F779-N783 PolarHBondContact O-N 3Å; F779-N783 VanDerWaalsContact O-N 3.08Å; F779-N783 PolarHBondContact O-ND2 3.02Å; F780-N783 CarbonylContact O-C 3.3Å; F780-N783 VanDerWaalsContact O-C 3.3Å; F780-N783 PolarHBondContact O-N 3.06Å; I781-N783 VanDerWaalsContact C-N 3.29Å; I781-N783 PolarHBondContact O-N 2.82Å; N783-E785 PolarHBondContact O-N 2.88Å; N783-I786 HydrophobicContact CB-CB 4.5Å; N783-I786 HydrophobicContact CB-CD1 4.46Å; N783-I786 PolarHBondContact O-N 3.45Å; N783-T787 WeakPolarHBondContact O-CB 3.19Å; N783-T787 PolarHBondContact O-N 3.46Å; N783-T787 PolarHBondContact O-OG1 3.31Å |
| 784 | F | 82.3 | Confident | 82 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 33% | 0.333 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -48.8 | -52.9 | -168.1 | 178.5 | -142.6 | 0 | 0 | 0 | 115.2 | F780 I781 I786 T787 K788 L812 | F780-F784 WeakPolarHBondContact O-CA 3.24Å; F780-F784 PolarHBondContact O-N 3.15Å; F780-F784 VanDerWaalsContact O-N 3.13Å; I781-F784 PolarHBondContact O-N 3.42Å; F784-I786 PolarHBondContact O-N 3.15Å; F784-T787 WeakPolarHBondContact O-CB 3.46Å; F784-T787 PolarHBondContact O-N 3.38Å; F784-K788 HydrophobicContact CD2-CG 4.45Å; F784-K788 VanDerWaalsContact CE1-CE 3.46Å; F784-K788 HydrophobicContact CE2-CD 4.4Å; F784-K788 HydrophobicContact CE2-CG 4.31Å; F784-K788 PolarHBondContact O-N 3.36Å; F784-L812 HydrophobicContact CD2-CB 4.29Å; F784-L812 HydrophobicContact CD2-CD1 3.94Å; F784-L812 HydrophobicContact CD2-CD2 3.69Å; F784-L812 HydrophobicContact CD2-CG 4.18Å; F784-L812 HydrophobicContact CE2-CB 3.92Å; F784-L812 HydrophobicContact CE2-CD1 4.12Å; F784-L812 HydrophobicContact CE2-CD2 4.2Å; F784-L812 HydrophobicContact CE2-CG 4.3Å |
| 785 | E | 77.5 | Confident | 81.6 | Confident | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67 | -38.5 | -177.2 | -60.9 | -53.7 | 136.1 | 0 | 0 | 112.8 | N783 T787 K788 | N783-E785 PolarHBondContact O-N 2.88Å; E785-T787 VanDerWaalsContact C-N 3.29Å; E785-T787 PolarHBondContact O-N 2.89Å; E785-K788 PolarHBondContact O-N 3.08Å; E785-K788 IonicContact OE1-NZ 2.61Å; E785-K788 PolarHBondContact OE1-NZ 3.28Å; E785-K788 IonicContact OE2-NZ 2.7Å; E785-K788 PolarHBondContact OE2-NZ 3.16Å |
| 786 | I | 83.5 | Confident | 80.7 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 174.8 | -47.7 | 174.7 | 0 | 0 | 0 | 109.5 | Q714 I758 I759 I762 N783 F784 K788 V789 A790 | Q714-I786 VanDerWaalsContact OE1-CD1 3.26Å; I758-I786 HydrophobicContact CB-CD1 4.28Å; I758-I786 HydrophobicContact CD1-CD1 4.36Å; I758-I786 HydrophobicContact CG2-CD1 3.77Å; I758-I786 HydrophobicContact CG2-CG2 4.33Å; I759-I786 HydrophobicContact CB-CG2 4.45Å; I759-I786 HydrophobicContact CD1-CG2 4.5Å; I759-I786 HydrophobicContact CG1-CG2 3.46Å; I759-I786 VanDerWaalsContact CG1-CG2 3.46Å; I762-I786 HydrophobicContact CD1-CB 3.79Å; I762-I786 HydrophobicContact CD1-CG2 3.6Å; N783-I786 HydrophobicContact CB-CB 4.5Å; N783-I786 HydrophobicContact CB-CD1 4.46Å; N783-I786 PolarHBondContact O-N 3.45Å; F784-I786 PolarHBondContact O-N 3.15Å; I786-K788 PolarHBondContact O-N 3.13Å; I786-V789 PolarHBondContact O-N 3.02Å; I786-A790 WeakPolarHBondContact O-CB 3.34Å; I786-A790 PolarHBondContact O-N 3.33Å |
| 787 | T | 84.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -36.3 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | I762 F780 N783 F784 E785 V789 A790 I791 V808 L812 | I762-T787 HydrophobicContact CG2-CG2 4.1Å; F780-T787 HydrophobicContact CB-CG2 3.99Å; F780-T787 HydrophobicContact CD1-CG2 3.72Å; F780-T787 HydrophobicContact CG-CG2 4.07Å; F780-T787 PolarHBondContact O-OG1 3.35Å; N783-T787 WeakPolarHBondContact O-CB 3.19Å; N783-T787 PolarHBondContact O-N 3.46Å; N783-T787 PolarHBondContact O-OG1 3.31Å; F784-T787 WeakPolarHBondContact O-CB 3.46Å; F784-T787 PolarHBondContact O-N 3.38Å; E785-T787 VanDerWaalsContact C-N 3.29Å; E785-T787 PolarHBondContact O-N 2.89Å; T787-V789 VanDerWaalsContact C-N 3.34Å; T787-V789 PolarHBondContact O-N 3.49Å; T787-A790 PolarHBondContact O-N 3.13Å; T787-I791 HydrophobicContact CG2-CD1 3.83Å; T787-I791 HydrophobicContact CG2-CG1 4.21Å; T787-I791 VanDerWaalsContact O-CB 3.24Å; T787-I791 WeakPolarHBondContact O-CB 3.28Å; T787-I791 VanDerWaalsContact O-CG1 3.23Å; T787-I791 WeakPolarHBondContact O-CG1 3.35Å; T787-I791 PolarHBondContact O-N 2.99Å; T787-V808 HydrophobicContact CG2-CG1 4.11Å; T787-L812 HydrophobicContact CG2-CD1 4.05Å |
| 788 | K | 80.4 | Confident | 78.5 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 172.1 | -66.4 | 171.8 | -164.8 | 167.8 | 0 | 112 | F784 E785 I786 I791 Q792 | F784-K788 HydrophobicContact CD2-CG 4.45Å; F784-K788 VanDerWaalsContact CE1-CE 3.46Å; F784-K788 HydrophobicContact CE2-CD 4.4Å; F784-K788 HydrophobicContact CE2-CG 4.31Å; F784-K788 PolarHBondContact O-N 3.36Å; E785-K788 PolarHBondContact O-N 3.08Å; E785-K788 IonicContact OE1-NZ 2.61Å; E785-K788 PolarHBondContact OE1-NZ 3.28Å; E785-K788 IonicContact OE2-NZ 2.7Å; E785-K788 PolarHBondContact OE2-NZ 3.16Å; I786-K788 PolarHBondContact O-N 3.13Å; K788-I791 PolarHBondContact O-N 3.19Å; K788-Q792 PolarHBondContact O-N 3.49Å |
| 789 | V | 77.6 | Confident | 77.3 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.9 | -40.2 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | M718 I786 T787 Q792 Q793 | M718-V789 HydrophobicContact CE-CB 4.31Å; M718-V789 HydrophobicContact CE-CG1 4.18Å; M718-V789 HydrophobicContact CE-CG2 4.3Å; M718-V789 HydrophobicContact SD-CB 4.2Å; M718-V789 HydrophobicContact SD-CG2 3.63Å; I786-V789 PolarHBondContact O-N 3.02Å; T787-V789 VanDerWaalsContact C-N 3.34Å; T787-V789 PolarHBondContact O-N 3.49Å; V789-Q792 VanDerWaalsContact O-CB 3.3Å; V789-Q792 WeakPolarHBondContact O-CB 3.27Å; V789-Q792 PolarHBondContact O-N 3.3Å; V789-Q792 VanDerWaalsContact O-N 3.15Å; V789-Q793 PolarHBondContact O-N 3.24Å |
| 790 | A | 82.2 | Confident | 76 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I762 L763 L766 I786 T787 Q792 Q793 A794 | I762-A790 HydrophobicContact CB-CB 3.98Å; I762-A790 HydrophobicContact CG2-CB 3.35Å; L763-A790 HydrophobicContact CD1-CB 4.21Å; L763-A790 VanDerWaalsContact CD1-O 3.24Å; L763-A790 WeakPolarHBondContact CD1-O 3.41Å; L766-A790 HydrophobicContact CD1-CB 4.28Å; I786-A790 WeakPolarHBondContact O-CB 3.34Å; I786-A790 PolarHBondContact O-N 3.33Å; T787-A790 PolarHBondContact O-N 3.13Å; A790-Q792 VanDerWaalsContact C-N 3.31Å; A790-Q792 PolarHBondContact O-N 3.25Å; A790-Q793 PolarHBondContact O-N 3.41Å; A790-A794 WeakPolarHBondContact O-CB 3.45Å; A790-A794 PolarHBondContact O-N 2.9Å |
| 791 | I | 81.5 | Confident | 75 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 169.4 | -81.1 | 168.9 | 0 | 0 | 0 | 110.4 | L766 T787 K788 Q793 A794 R795 I805 V808 E809 L812 | L766-I791 HydrophobicContact CD1-CG1 3.82Å; L766-I791 HydrophobicContact CD2-CG1 4.39Å; T787-I791 HydrophobicContact CG2-CD1 3.83Å; T787-I791 HydrophobicContact CG2-CG1 4.21Å; T787-I791 VanDerWaalsContact O-CB 3.24Å; T787-I791 WeakPolarHBondContact O-CB 3.28Å; T787-I791 VanDerWaalsContact O-CG1 3.23Å; T787-I791 WeakPolarHBondContact O-CG1 3.35Å; T787-I791 PolarHBondContact O-N 2.99Å; K788-I791 PolarHBondContact O-N 3.19Å; I791-Q793 VanDerWaalsContact C-N 3.33Å; I791-Q793 PolarHBondContact O-N 3.5Å; I791-A794 PolarHBondContact O-N 2.86Å; I791-R795 VanDerWaalsContact CG2-NH1 3.28Å; I791-R795 WeakPolarHBondContact O-CG 3.39Å; I791-R795 PolarHBondContact O-N 3.24Å; I791-I805 HydrophobicContact CG1-CG1 4.36Å; I791-I805 HydrophobicContact CG1-CG2 4.34Å; I791-I805 HydrophobicContact CG2-CD1 4.45Å; I791-I805 HydrophobicContact CG2-CG2 3.6Å; I791-V808 HydrophobicContact CD1-CG1 3.96Å; I791-E809 HydrophobicContact CD1-CG 3.93Å; I791-E809 HydrophobicContact CG2-CG 4.47Å; I791-L812 HydrophobicContact CD1-CD1 4.28Å |
| 792 | Q | 75.9 | Confident | 74.1 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 177 | -140.1 | 66.3 | 71.2 | 0 | 0 | 111.7 | H731 K788 V789 A790 C796 | H731-Q792 PolarHBondContact CE1-NE2 3.28Å; H731-Q792 VanDerWaalsContact CE1-NE2 3.25Å; H731-Q792 PolarHBondContact CE1-OE1 3.4Å; H731-Q792 WeakPolarHBondContact NE2-CG 3.35Å; H731-Q792 PolarHBondContact NE2-NE2 2.94Å; H731-Q792 PolarHBondContact NE2-OE1 2.9Å; K788-Q792 PolarHBondContact O-N 3.49Å; V789-Q792 VanDerWaalsContact O-CB 3.3Å; V789-Q792 WeakPolarHBondContact O-CB 3.27Å; V789-Q792 PolarHBondContact O-N 3.3Å; V789-Q792 VanDerWaalsContact O-N 3.15Å; A790-Q792 VanDerWaalsContact C-N 3.31Å; A790-Q792 PolarHBondContact O-N 3.25Å; Q792-C796 PolarHBondContact O-SG 3.02Å |
| 793 | Q | 75.7 | Confident | 73.3 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70 | -33.1 | 177 | -172.1 | 178.5 | 9.7 | 0 | 0 | 113.2 | L763 V789 A790 I791 C796 | L763-Q793 HydrophobicContact CD1-CB 3.84Å; L763-Q793 HydrophobicContact CD1-CG 3.92Å; L763-Q793 HydrophobicContact CD2-CG 4.18Å; V789-Q793 PolarHBondContact O-N 3.24Å; A790-Q793 PolarHBondContact O-N 3.41Å; I791-Q793 VanDerWaalsContact C-N 3.33Å; I791-Q793 PolarHBondContact O-N 3.5Å; Q793-C796 WeakPolarHBondContact O-CB 3.19Å; Q793-C796 PolarHBondContact O-N 3.09Å |
| 794 | A | 77 | Confident | 72.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.7 | -31.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L763 L766 A790 I791 C796 R797 I801 I805 | L763-A794 HydrophobicContact CD1-CB 3.87Å; L766-A794 HydrophobicContact CB-CB 4.26Å; L766-A794 HydrophobicContact CD1-CB 4.14Å; A790-A794 WeakPolarHBondContact O-CB 3.45Å; A790-A794 PolarHBondContact O-N 2.9Å; I791-A794 PolarHBondContact O-N 2.86Å; A794-C796 PolarHBondContact O-N 3.46Å; A794-R797 PolarHBondContact O-N 2.98Å; A794-I801 HydrophobicContact CB-CG2 4.21Å; A794-I805 HydrophobicContact CB-CD1 3.79Å |
| 795 | R | 73.4 | Confident | 72.5 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.9 | -30.7 | 168.3 | -79.7 | -169 | 166.9 | 105 | -2 | 112 | I791 R797 L802 I805 E809 | I791-R795 VanDerWaalsContact CG2-NH1 3.28Å; I791-R795 WeakPolarHBondContact O-CG 3.39Å; I791-R795 PolarHBondContact O-N 3.24Å; R795-R797 VanDerWaalsContact C-N 3.27Å; R795-R797 PolarHBondContact O-N 3.22Å; R795-L802 HydrophobicContact CB-CD2 4.44Å; R795-L802 HydrophobicContact CG-CD2 3.86Å; R795-I805 HydrophobicContact CB-CD1 4.48Å; R795-I805 HydrophobicContact CG-CD1 3.77Å; R795-I805 HydrophobicContact CG-CG2 4.46Å; R795-E809 IonicContact CZ-OE1 3.21Å; R795-E809 VanDerWaalsContact CZ-OE1 3.24Å; R795-E809 IonicContact NH1-OE1 2.78Å; R795-E809 PolarHBondContact NH1-OE1 3.12Å; R795-E809 IonicContact NH2-OE1 2.85Å; R795-E809 PolarHBondContact NH2-OE1 3.28Å; R795-E809 IonicContact NH2-OE2 3.71Å; R795-E809 PolarHBondContact NH2-OE2 3.48Å; R795-E809 VanDerWaalsContact NH2-OE2 3.16Å |
| 796 | C | 65.4 | Low | 72.4 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 43% | 0.426 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.4 | 177.1 | -45 | 0 | 0 | 0 | 0 | 114.5 | C743 Q792 Q793 A794 | C743-C796 HydrophobicContact CB-CB 3.65Å; C743-C796 WeakPolarHBondContact CB-SG 3.5Å; C743-C796 WeakPolarHBondContact SG-CB 3.46Å; C743-C796 CovalentContact SG-SG 2.04Å; C743-C796 PolarHBondContact SG-SG 3.39Å; Q792-C796 PolarHBondContact O-SG 3.02Å; Q793-C796 WeakPolarHBondContact O-CB 3.19Å; Q793-C796 PolarHBondContact O-N 3.09Å; A794-C796 PolarHBondContact O-N 3.46Å |
| 797 | R | 63.2 | Low | 72.1 | Confident | 145 Ų | 145 | 53 Ų | 53 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -34.9 | -172.5 | -75.1 | -172.6 | 168.8 | -169 | -1.4 | 116.3 | L763 A794 R795 I801 | L763-R797 VanDerWaalsContact CD2-CZ 3.5Å; A794-R797 PolarHBondContact O-N 2.98Å; R795-R797 VanDerWaalsContact C-N 3.27Å; R795-R797 PolarHBondContact O-N 3.22Å; R797-I801 HydrophobicContact CB-CD1 4.14Å |
| 798 | S | 59.5 | Low | 71.8 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -167.6 | 143.5 | 175 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | L800 I801 | S798-L800 PolarHBondContact O-N 2.89Å; S798-L800 PolarHBondContact OG-N 3.47Å; S798-L800 VanDerWaalsContact OG-N 3.12Å; S798-I801 WeakPolarHBondContact O-CB 3.09Å; S798-I801 PolarHBondContact O-N 2.83Å | ||
| 799 | N | 58.4 | Low | 71.6 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -25.2 | 169.6 | -74.6 | -4.1 | 0 | 0 | 0 | 113 | I801 L802 | N799-I801 VanDerWaalsContact C-N 3.27Å; N799-I801 PolarHBondContact O-N 3.3Å; N799-L802 HydrophobicContact CB-CD1 4.18Å; N799-L802 WeakPolarHBondContact O-CB 3.42Å; N799-L802 PolarHBondContact O-N 3.03Å |
| 800 | L | 58.7 | Low | 71.6 | Confident | 145 Ų | 145 | 52.5 Ų | 52.5 | 76% | 0.759 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.6 | -32.6 | 176.3 | -168.3 | 68.4 | 0 | 0 | 0 | 111.6 | S798 L802 | S798-L800 PolarHBondContact O-N 2.89Å; S798-L800 PolarHBondContact OG-N 3.47Å; S798-L800 VanDerWaalsContact OG-N 3.12Å; L800-L802 VanDerWaalsContact C-N 3.26Å; L800-L802 PolarHBondContact O-N 3.42Å |
| 801 | I | 66.7 | Low | 71.1 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.5 | -22.1 | 178.6 | -64.8 | 164.7 | 0 | 0 | 0 | 111.2 | L766 T767 A794 R797 S798 N799 K803 K804 I805 | L766-I801 WeakPolarHBondContact O-CG2 3.35Å; T767-I801 HydrophobicContact CG2-CD1 3.52Å; A794-I801 HydrophobicContact CB-CG2 4.21Å; R797-I801 HydrophobicContact CB-CD1 4.14Å; S798-I801 WeakPolarHBondContact O-CB 3.09Å; S798-I801 PolarHBondContact O-N 2.83Å; N799-I801 VanDerWaalsContact C-N 3.27Å; N799-I801 PolarHBondContact O-N 3.3Å; I801-K803 VanDerWaalsContact C-N 3.3Å; I801-K803 PolarHBondContact O-N 3.14Å; I801-K804 WeakPolarHBondContact O-CB 3.47Å; I801-K804 PolarHBondContact O-N 3.32Å; I801-I805 HydrophobicContact CG2-CD1 3.69Å; I801-I805 HydrophobicContact CG2-CG1 3.86Å; I801-I805 PolarHBondContact O-N 3.14Å |
| 802 | L | 65.1 | Low | 70.6 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -38 | -179.1 | -65 | 174.5 | 0 | 0 | 0 | 112.8 | R795 N799 L800 I805 E806 | R795-L802 HydrophobicContact CB-CD2 4.44Å; R795-L802 HydrophobicContact CG-CD2 3.86Å; N799-L802 HydrophobicContact CB-CD1 4.18Å; N799-L802 WeakPolarHBondContact O-CB 3.42Å; N799-L802 PolarHBondContact O-N 3.03Å; L800-L802 VanDerWaalsContact C-N 3.26Å; L800-L802 PolarHBondContact O-N 3.42Å; L802-I805 PolarHBondContact O-N 3.29Å; L802-E806 WeakPolarHBondContact O-CB 3.41Å; L802-E806 PolarHBondContact O-N 2.92Å |
| 803 | K | 68.8 | Low | 70.3 | Confident | 145 Ų | 145 | 57.6 Ų | 57.6 | 63% | 0.63 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 174.9 | -78.7 | -164.1 | 172.8 | -167.6 | 0 | 112.5 | I801 E806 I807 | I801-K803 VanDerWaalsContact C-N 3.3Å; I801-K803 PolarHBondContact O-N 3.14Å; K803-E806 PolarHBondContact O-N 2.93Å; K803-I807 WeakPolarHBondContact O-CD1 3.38Å; K803-I807 VanDerWaalsContact O-CG1 3.26Å; K803-I807 WeakPolarHBondContact O-CG1 3.22Å; K803-I807 PolarHBondContact O-N 3.35Å; K803-I807 VanDerWaalsContact O-N 3.07Å |
| 804 | K | 72.4 | Confident | 69.8 | Low | 23 Ų | 23 | 58.5 Ų | 58.5 | 10% | 0.1 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 172.7 | -101.9 | -164.4 | 168.6 | -179.2 | 0 | 110.6 | R765 L766 D768 S770 L772 I801 E806 I807 V808 | R765-K804 PolarHBondContact O-NZ 2.69Å; L766-K804 WeakPolarHBondContact O-CD 3.37Å; D768-K804 WeakPolarHBondContact O-CE 3.45Å; D768-K804 PolarHBondContact O-NZ 2.79Å; S770-K804 WeakPolarHBondContact O-CE 3.3Å; S770-K804 PolarHBondContact O-NZ 3.03Å; S770-K804 PolarHBondContact OG-NZ 3.44Å; L772-K804 HydrophobicContact CD1-CD 4.21Å; L772-K804 HydrophobicContact CD1-CG 4.22Å; I801-K804 WeakPolarHBondContact O-CB 3.47Å; I801-K804 PolarHBondContact O-N 3.32Å; K804-E806 PolarHBondContact O-N 3.36Å; K804-I807 PolarHBondContact O-N 2.95Å; K804-V808 WeakPolarHBondContact O-CG2 3.22Å; K804-V808 PolarHBondContact O-N 3.46Å |
| 805 | I | 75.7 | Confident | 68.9 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 177.7 | -73.4 | 176.9 | 0 | 0 | 0 | 111.5 | L766 I791 A794 R795 I801 L802 V808 E809 | L766-I805 HydrophobicContact CD2-CG1 4.28Å; I791-I805 HydrophobicContact CG1-CG1 4.36Å; I791-I805 HydrophobicContact CG1-CG2 4.34Å; I791-I805 HydrophobicContact CG2-CD1 4.45Å; I791-I805 HydrophobicContact CG2-CG2 3.6Å; A794-I805 HydrophobicContact CB-CD1 3.79Å; R795-I805 HydrophobicContact CB-CD1 4.48Å; R795-I805 HydrophobicContact CG-CD1 3.77Å; R795-I805 HydrophobicContact CG-CG2 4.46Å; I801-I805 HydrophobicContact CG2-CD1 3.69Å; I801-I805 HydrophobicContact CG2-CG1 3.86Å; I801-I805 PolarHBondContact O-N 3.14Å; L802-I805 PolarHBondContact O-N 3.29Å; I805-V808 PolarHBondContact O-N 3.21Å; I805-E809 HydrophobicContact CG2-CG 4.29Å; I805-E809 WeakPolarHBondContact O-CB 3.35Å; I805-E809 WeakPolarHBondContact O-CG 3.4Å; I805-E809 PolarHBondContact O-N 3.03Å |
| 806 | E | 75.5 | Confident | 68 | Low | 64 Ų | 64 | 61.3 Ų | 61.3 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 179.5 | -174.6 | 173.4 | -139.3 | 0 | 0 | 111.4 | N738 L802 K803 K804 E809 N810 | N738-E806 PolarHBondContact ND2-OE1 3.17Å; L802-E806 WeakPolarHBondContact O-CB 3.41Å; L802-E806 PolarHBondContact O-N 2.92Å; K803-E806 PolarHBondContact O-N 2.93Å; K804-E806 PolarHBondContact O-N 3.36Å; E806-E809 PolarHBondContact O-N 3.38Å; E806-N810 VanDerWaalsContact O-CB 3.25Å; E806-N810 WeakPolarHBondContact O-CB 3.12Å; E806-N810 PolarHBondContact O-N 3.29Å; E806-N810 PolarHBondContact O-ND2 2.99Å; E806-N810 PolarHBondContact O-OD1 3.19Å |
| 807 | I | 77 | Confident | 66.9 | Low | 33 Ų | 33 | 65.2 Ų | 65.2 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 173.3 | -63.2 | 158.6 | 0 | 0 | 0 | 110.5 | L772 K803 K804 N810 Q811 L825 L827 | L772-I807 HydrophobicContact CD2-CB 4.36Å; L772-I807 HydrophobicContact CD2-CG2 3.69Å; K803-I807 WeakPolarHBondContact O-CD1 3.38Å; K803-I807 VanDerWaalsContact O-CG1 3.26Å; K803-I807 WeakPolarHBondContact O-CG1 3.22Å; K803-I807 PolarHBondContact O-N 3.35Å; K803-I807 VanDerWaalsContact O-N 3.07Å; K804-I807 PolarHBondContact O-N 2.95Å; I807-N810 PolarHBondContact O-N 3.29Å; I807-Q811 WeakPolarHBondContact O-CG 3.05Å; I807-Q811 PolarHBondContact O-N 2.96Å; I807-L825 HydrophobicContact CG2-CD2 4.07Å; I807-L827 HydrophobicContact CD1-CD1 3.69Å; I807-L827 HydrophobicContact CD1-CD2 4.03Å; I807-L827 HydrophobicContact CG1-CD1 4.34Å; I807-L827 HydrophobicContact CG1-CD2 4.41Å |
| 808 | V | 77.3 | Confident | 65.6 | Low | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 178.2 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L766 L772 F780 T787 I791 K804 I805 N810 Q811 L812 | L766-V808 HydrophobicContact CD2-CG2 4.03Å; L772-V808 HydrophobicContact CD1-CG2 3.88Å; L772-V808 HydrophobicContact CD2-CG2 3.66Å; L772-V808 HydrophobicContact CG-CG2 4.39Å; F780-V808 HydrophobicContact CB-CG1 4.04Å; F780-V808 HydrophobicContact CD2-CB 4.43Å; F780-V808 HydrophobicContact CD2-CG1 3.85Å; F780-V808 HydrophobicContact CD2-CG2 3.6Å; F780-V808 HydrophobicContact CE2-CG2 3.63Å; F780-V808 HydrophobicContact CG-CG1 3.94Å; F780-V808 HydrophobicContact CG-CG2 4.46Å; F780-V808 HydrophobicContact CZ-CG2 4.48Å; T787-V808 HydrophobicContact CG2-CG1 4.11Å; I791-V808 HydrophobicContact CD1-CG1 3.96Å; K804-V808 WeakPolarHBondContact O-CG2 3.22Å; K804-V808 PolarHBondContact O-N 3.46Å; I805-V808 PolarHBondContact O-N 3.21Å; V808-N810 VanDerWaalsContact C-N 3.33Å; V808-N810 PolarHBondContact O-N 2.83Å; V808-Q811 PolarHBondContact O-N 3.45Å; V808-L812 HydrophobicContact CG1-CD1 3.74Å; V808-L812 HydrophobicContact CG1-CG 4.15Å; V808-L812 WeakPolarHBondContact O-CB 3.08Å; V808-L812 WeakPolarHBondContact O-CG 3.36Å; V808-L812 PolarHBondContact O-N 3.21Å |
| 809 | E | 76.8 | Confident | 64.4 | Low | 29 Ų | 29 | 71 Ų | 71 | 14% | 0.136 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 177.3 | -80.9 | -160 | 177.2 | 0 | 0 | 112.5 | I791 R795 I805 E806 L812 K813 | I791-E809 HydrophobicContact CD1-CG 3.93Å; I791-E809 HydrophobicContact CG2-CG 4.47Å; R795-E809 IonicContact CZ-OE1 3.21Å; R795-E809 VanDerWaalsContact CZ-OE1 3.24Å; R795-E809 IonicContact NH1-OE1 2.78Å; R795-E809 PolarHBondContact NH1-OE1 3.12Å; R795-E809 IonicContact NH2-OE1 2.85Å; R795-E809 PolarHBondContact NH2-OE1 3.28Å; R795-E809 IonicContact NH2-OE2 3.71Å; R795-E809 PolarHBondContact NH2-OE2 3.48Å; R795-E809 VanDerWaalsContact NH2-OE2 3.16Å; I805-E809 HydrophobicContact CG2-CG 4.29Å; I805-E809 WeakPolarHBondContact O-CB 3.35Å; I805-E809 WeakPolarHBondContact O-CG 3.4Å; I805-E809 PolarHBondContact O-N 3.03Å; E806-E809 PolarHBondContact O-N 3.38Å; E809-L812 PolarHBondContact O-N 2.69Å; E809-K813 VanDerWaalsContact O-CB 3.3Å; E809-K813 WeakPolarHBondContact O-CB 3.33Å; E809-K813 VanDerWaalsContact O-CD 3.29Å; E809-K813 WeakPolarHBondContact O-CD 3.02Å; E809-K813 WeakPolarHBondContact O-CG 3.2Å; E809-K813 PolarHBondContact O-N 3.12Å; E809-K813 IonicContact OE2-NZ 2.75Å; E809-K813 PolarHBondContact OE2-NZ 3.46Å |
| 810 | N | 76.9 | Confident | 63.4 | Low | 68 Ų | 68 | 70.6 Ų | 70.6 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.5 | -69 | -14.1 | 0 | 0 | 0 | 110.8 | Y736 E806 I807 V808 K813 S814 | Y736-N810 PolarHBondContact OH-OD1 2.67Å; E806-N810 VanDerWaalsContact O-CB 3.25Å; E806-N810 WeakPolarHBondContact O-CB 3.12Å; E806-N810 PolarHBondContact O-N 3.29Å; E806-N810 PolarHBondContact O-ND2 2.99Å; E806-N810 PolarHBondContact O-OD1 3.19Å; I807-N810 PolarHBondContact O-N 3.29Å; V808-N810 VanDerWaalsContact C-N 3.33Å; V808-N810 PolarHBondContact O-N 2.83Å; N810-K813 PolarHBondContact O-N 3.15Å; N810-S814 WeakPolarHBondContact O-CB 3.47Å; N810-S814 PolarHBondContact O-N 3.35Å; N810-S814 PolarHBondContact O-OG 3.09Å; N810-S814 VanDerWaalsContact O-OG 3.1Å |
| 811 | Q | 72.1 | Confident | 62.4 | Low | 54 Ų | 54 | 72.2 Ų | 72.2 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 174 | -68.9 | -65.1 | -11.5 | 0 | 0 | 112.3 | V777 I807 V808 S815 | V777-Q811 HydrophobicContact CG1-CB 4.21Å; V777-Q811 HydrophobicContact CG1-CG 4.38Å; I807-Q811 WeakPolarHBondContact O-CG 3.05Å; I807-Q811 PolarHBondContact O-N 2.96Å; V808-Q811 PolarHBondContact O-N 3.45Å; Q811-S815 VanDerWaalsContact O-CB 3.24Å; Q811-S815 WeakPolarHBondContact O-CB 3.47Å; Q811-S815 PolarHBondContact O-N 3Å |
| 812 | L | 72 | Confident | 61.3 | Low | 12 Ų | 12 | 77.8 Ų | 77.8 | 6% | 0.063 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 175.6 | -72 | 175 | 0 | 0 | 0 | 112.4 | I781 F784 T787 I791 V808 E809 S816 | I781-L812 HydrophobicContact CB-CD2 4.44Å; I781-L812 HydrophobicContact CG1-CD2 3.86Å; F784-L812 HydrophobicContact CD2-CB 4.29Å; F784-L812 HydrophobicContact CD2-CD1 3.94Å; F784-L812 HydrophobicContact CD2-CD2 3.69Å; F784-L812 HydrophobicContact CD2-CG 4.18Å; F784-L812 HydrophobicContact CE2-CB 3.92Å; F784-L812 HydrophobicContact CE2-CD1 4.12Å; F784-L812 HydrophobicContact CE2-CD2 4.2Å; F784-L812 HydrophobicContact CE2-CG 4.3Å; T787-L812 HydrophobicContact CG2-CD1 4.05Å; I791-L812 HydrophobicContact CD1-CD1 4.28Å; V808-L812 HydrophobicContact CG1-CD1 3.74Å; V808-L812 HydrophobicContact CG1-CG 4.15Å; V808-L812 WeakPolarHBondContact O-CB 3.08Å; V808-L812 WeakPolarHBondContact O-CG 3.36Å; V808-L812 PolarHBondContact O-N 3.21Å; E809-L812 PolarHBondContact O-N 2.69Å; L812-S816 PolarHBondContact O-N 3.1Å; L812-S816 VanDerWaalsContact O-N 3.12Å |
| 813 | K | 69.3 | Low | 60.1 | Low | 83 Ų | 83 | 83.7 Ų | 83.7 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 176.1 | -72.1 | 160.9 | -162.3 | 171.3 | 0 | 110.7 | Y736 E809 N810 S816 | Y736-K813 HydrophobicContact CE2-CD 3.93Å; Y736-K813 VanDerWaalsContact OH-CD 3.26Å; Y736-K813 WeakPolarHBondContact OH-CD 3.48Å; Y736-K813 PolarHBondContact OH-NZ 3.41Å; E809-K813 VanDerWaalsContact O-CB 3.3Å; E809-K813 WeakPolarHBondContact O-CB 3.33Å; E809-K813 VanDerWaalsContact O-CD 3.29Å; E809-K813 WeakPolarHBondContact O-CD 3.02Å; E809-K813 WeakPolarHBondContact O-CG 3.2Å; E809-K813 PolarHBondContact O-N 3.12Å; E809-K813 IonicContact OE2-NZ 2.75Å; E809-K813 PolarHBondContact OE2-NZ 3.46Å; N810-K813 PolarHBondContact O-N 3.15Å; K813-S816 WeakPolarHBondContact O-CB 2.87Å; K813-S816 PolarHBondContact O-N 3.39Å; K813-S816 PolarHBondContact O-OG 3.35Å |
| 814 | S | 63.9 | Low | 58.8 | Low | 77 Ų | 77 | 82.2 Ų | 82.2 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 170.3 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | N810 S816 M817 | N810-S814 WeakPolarHBondContact O-CB 3.47Å; N810-S814 PolarHBondContact O-N 3.35Å; N810-S814 PolarHBondContact O-OG 3.09Å; N810-S814 VanDerWaalsContact O-OG 3.1Å; S814-S816 PolarHBondContact O-N 2.89Å; S814-S816 VanDerWaalsContact O-N 3.15Å; S814-M817 CarbonylContact O-C 3.49Å; S814-M817 WeakPolarHBondContact O-CA 3.21Å; S814-M817 PolarHBondContact O-N 3.04Å; S814-M817 VanDerWaalsContact O-O 3.09Å |
| 815 | S | 59.3 | Low | 57.2 | Low | 47 Ų | 47 | 85.9 Ų | 85.9 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.5 | -13.7 | -178.7 | -170.7 | 0 | 0 | 0 | 0 | 114.1 | Q811 | Q811-S815 VanDerWaalsContact O-CB 3.24Å; Q811-S815 WeakPolarHBondContact O-CB 3.47Å; Q811-S815 PolarHBondContact O-N 3Å |
| 816 | S | 53.3 | Low | 55.6 | Low | 87 Ų | 87 | 93.5 Ų | 93.5 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -20.3 | 169 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | L812 K813 S814 | L812-S816 PolarHBondContact O-N 3.1Å; L812-S816 VanDerWaalsContact O-N 3.12Å; K813-S816 WeakPolarHBondContact O-CB 2.87Å; K813-S816 PolarHBondContact O-N 3.39Å; K813-S816 PolarHBondContact O-OG 3.35Å; S814-S816 PolarHBondContact O-N 2.89Å; S814-S816 VanDerWaalsContact O-N 3.15Å |
| 817 | M | 42.5 | Very low | 53.9 | Low | 145 Ų | 145 | 95.9 Ų | 95.9 | 71% | 0.714 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -106.7 | 99 | 170.1 | -71.6 | -166.1 | 69.1 | 0 | 0 | 110.7 | S814 | S814-M817 CarbonylContact O-C 3.49Å; S814-M817 WeakPolarHBondContact O-CA 3.21Å; S814-M817 PolarHBondContact O-N 3.04Å; S814-M817 VanDerWaalsContact O-O 3.09Å |
| 818 | I | 35.7 | Very low | 51.7 | Low | 132 Ų | 132 | 102.7 Ų | 102.7 | 68% | 0.677 | 57% | 0.568 | S | S | * | * | trans | 75.1 | 126.6 | 164.4 | -51 | 164.2 | 0 | 0 | 0 | 114.7 | S820 | I818-S820 PolarHBondContact O-N 3.12Š| ||
| 819 | H | 35.4 | Very low | 50.5 | Low | 186 Ų | 186 | 107.8 Ų | 107.8 | 86% | 0.861 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -64.4 | 97.7 | 159.8 | -80 | 27.7 | 0 | 0 | 0 | 109.9 | ||
| 820 | S | 36.2 | Very low | 49.1 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 63% | 0.629 | 62% | 0.62 | S | S | * | * | trans | 168.3 | 156.9 | 138.7 | 52 | 0 | 0 | 0 | 0 | 113.7 | I818 | I818-S820 PolarHBondContact O-N 3.12Š| ||
| 821 | K | 39.6 | Very low | 47.5 | Very low | 179 Ų | 179 | 114.3 Ų | 114.3 | 78% | 0.778 | 63% | 0.634 | S | S | * | * | trans | 61.1 | 89.5 | 158 | -69.3 | 168.6 | -179 | 176.9 | 0 | 117.5 | M823 | K821-M823 PolarHBondContact O-N 3.49Š| ||
| 822 | T | 42.5 | Very low | 46.1 | Very low | 136 Ų | 136 | 117.9 Ų | 117.9 | 83% | 0.834 | 66% | 0.657 | S | S | * | * | 26.4 | 94.2 | 120.1 | 56.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 823 | M | 40 | Very low | 44.5 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | trans | -90.4 | 139.5 | 145.4 | -76.7 | -160.8 | 71.8 | 0 | 0 | 109.2 | K821 | K821-M823 PolarHBondContact O-N 3.49Š| ||
| 824 | P | 41.5 | Very low | 42.8 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | trans | -68.1 | 135.8 | 177.4 | 28.4 | -33.9 | 0 | 0 | 0 | 110.9 | N826 | P824-N826 PolarHBondContact O-N 3.4Š| ||
| 825 | L | 39.8 | Very low | 41.3 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 52% | 0.524 | 73% | 0.729 | S | S | . | * | trans | -68 | 110.9 | 168.1 | -71.9 | 170.2 | 0 | 0 | 0 | 108.9 | I807 L827 | I807-L825 HydrophobicContact CG2-CD2 4.07Å; L825-L827 HydrophobicContact CB-CD1 4.31Å; L825-L827 HydrophobicContact CD2-CD1 4.33Å | ||
| 826 | N | 42.2 | Very low | 39.9 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -102.2 | 84.1 | 170.8 | -152.9 | 0.5 | 0 | 0 | 0 | 108.6 | P824 | P824-N826 PolarHBondContact O-N 3.4Š| ||
| 827 | L | 39.7 | Very low | 38.8 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | trans | -105.5 | 109 | -179.6 | -82.6 | 158.7 | 0 | 0 | 0 | 109.5 | I807 L825 | I807-L827 HydrophobicContact CD1-CD1 3.69Å; I807-L827 HydrophobicContact CD1-CD2 4.03Å; I807-L827 HydrophobicContact CG1-CD1 4.34Å; I807-L827 HydrophobicContact CG1-CD2 4.41Å; L825-L827 HydrophobicContact CB-CD1 4.31Å; L825-L827 HydrophobicContact CD2-CD1 4.33Å | ||
| 828 | S | 30.8 | Very low | 38.5 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 100% | 1.238 | 78% | 0.777 | S | S | * | * | trans | -115.9 | 0 | 166.1 | 64.2 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 828 of 828 residues in 596.2 ms
(Link to these results)