| 1 | M | 34.1 | Very low | 34.8 | Very low | 233 Ų | 233 | 147.3 Ų | 147.3 | 100% | 1.148 | 79% | 0.788 | S | S | * | * | | | | 0 | 145.8 | 0 | -78.3 | 173.6 | -88.9 | 0 | 0 | 108.1 | | |
| 2 | F | 34.8 | Very low | 34.3 | Very low | 210 Ų | 210 | 144.4 Ų | 144.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -28.3 | 156.1 | 180 | -44.4 | -87.9 | 0 | 0 | 0 | 118.6 | | |
| 3 | G | 37 | Very low | 33.8 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | cis | 143.2 | 124.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 4 | L | 47.7 | Very low | 33.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | | | trans | 60.9 | 135.1 | 154.5 | -68.9 | 165.8 | 0 | 0 | 0 | 122.2 | | |
| 5 | E | 43.8 | Very low | 33.1 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | 69.6 | 160.2 | 134.7 | -74.3 | -174.3 | 131.3 | 0 | 0 | 120.6 | | |
| 6 | Q | 35.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | | | cis | -167 | -177.9 | -16.5 | 175.3 | 179.2 | 103.9 | 0 | 0 | 107.7 | | |
| 7 | F | 36.7 | Very low | 33.4 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | | | trans | 76.3 | 155.2 | 173.4 | -56.7 | -88.5 | 0 | 0 | 0 | 116.9 | | |
| 8 | G | 28.4 | Very low | 33.1 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | cis | 144.7 | 119.7 | -13.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 9 | S | 30.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 61.3 | 122.5 | 155.6 | -62.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 10 | Q | 25.9 | Very low | 33 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | | | trans | 65.6 | -175 | 163.3 | -57.5 | -163.2 | 1 | 0 | 0 | 113.2 | | |
| 11 | I | 28 | Very low | 32.9 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -153.5 | 157.1 | 20.1 | -11.7 | 174.5 | 0 | 0 | 0 | 113.3 | | |
| 12 | N | 28.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 60% | 0.604 | 72% | 0.724 | S | S | * | * | | | trans | 32.9 | 119.9 | 146.7 | -96.7 | -43.9 | 0 | 0 | 0 | 121.2 | | |
| 13 | S | 28.1 | Very low | 32.3 | Very low | 24 Ų | 24 | 132.9 Ų | 132.9 | 17% | 0.168 | 72% | 0.717 | C | S | . | * | | | trans | -40.9 | 139.7 | 135.2 | 43 | 0 | 0 | 0 | 0 | 114.6 | N743 | S13-N743 WeakPolarHBondContact CB-O 3.03Å; S13-N743 WeakPolarHBondContact OG-CB 3.24Å; S13-N743 PolarHBondContact OG-ND2 3.42Å; S13-N743 PolarHBondContact OG-O 3.29Å |
| 14 | R | 30.7 | Very low | 31.8 | Very low | 219 Ų | 219 | 136.6 Ų | 136.6 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | | | trans | -142.1 | 145.9 | 165.3 | -78.8 | -177.7 | 167.5 | 177.4 | -3.9 | 110.3 | | |
| 15 | N | 25.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | trans | -144.4 | 159.5 | 154.1 | -124 | 2.9 | 0 | 0 | 0 | 107.6 | | |
| 16 | P | 44.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | | | trans | -115.8 | 162.3 | -130.3 | 11 | 12.9 | 0 | 0 | 0 | 114.7 | | |
| 17 | G | 26.6 | Very low | 30.1 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -146.2 | 134.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 18 | Q | 28.2 | Very low | 29.9 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | | | trans | -75.9 | 139.3 | -169.3 | -63.8 | 174.2 | -36 | 0 | 0 | 114 | | |
| 19 | S | 32.8 | Very low | 29.8 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | | | | 175.8 | 110.7 | 126.9 | 29.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 20 | E | 31.4 | Very low | 29.8 | Very low | 135 Ų | 135 | 138 Ų | 138 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | | | | 70.8 | 102.8 | 77.7 | -71.5 | -102.2 | 75.4 | 0 | 0 | 113.3 | | |
| 21 | R | 31.8 | Very low | 30.9 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | | | trans | 51 | 146.7 | 134.1 | -72.6 | -170.8 | -89.3 | -176.5 | -2.6 | 120.1 | | |
| 22 | N | 24.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | | | cis | -175 | -157.5 | -13.7 | -163.5 | -38.8 | 0 | 0 | 0 | 104.3 | | |
| 23 | I | 30.1 | Very low | 32 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | | | trans | 75.1 | 100.3 | 168.8 | -48.8 | 169.7 | 0 | 0 | 0 | 112.6 | | |
| 24 | N | 27.8 | Very low | 32.1 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | | | | 80.6 | 150.7 | 68.8 | -97.2 | -65.9 | 0 | 0 | 0 | 116.7 | | |
| 25 | Q | 34.3 | Very low | 32.1 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 71% | 0.709 | S | S | * | * | | | trans | -90.8 | 146.9 | -165.7 | -48.5 | 170.3 | 24.1 | 0 | 0 | 113.4 | | |
| 26 | Q | 30.1 | Very low | 32 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | | | trans | -156.6 | 115.4 | 144.1 | -100.9 | 155.9 | 20.5 | 0 | 0 | 105.4 | | |
| 27 | R | 25.7 | Very low | 32.2 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 56% | 0.555 | 70% | 0.697 | S | S | * | * | | | cis | 75.3 | 129.4 | 47.1 | -156.4 | -146.1 | -118.8 | -59.1 | 2.9 | 111.7 | | |
| 28 | L | 33.9 | Very low | 32.2 | Very low | 85 Ų | 85 | 132 Ų | 132 | 45% | 0.445 | 69% | 0.691 | S | S | . | * | | | trans | 74.2 | 150.5 | -170.7 | -40.5 | -175.6 | 0 | 0 | 0 | 110.5 | Y34 | L28-Y34 HydrophobicContact CD1-CD1 4.05Å; L28-Y34 HydrophobicContact CD1-CE1 4.24Å; L28-Y34 HydrophobicContact CD1-CG 4.31Å |
| 29 | N | 25.6 | Very low | 32.3 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 46% | 0.46 | 69% | 0.692 | S | S | . | * | | | cis | -156.2 | 176.8 | 20.6 | -157.6 | -11.5 | 0 | 0 | 0 | 111.7 | H33 Y34 | N29-H33 WeakPolarHBondContact ND2-CA 3.02Å; N29-H33 PolarHBondContact ND2-N 3.45Å; N29-H33 WeakPolarHBondContact OD1-CA 3.42Å; N29-H33 PolarHBondContact OD1-N 3.47Å; N29-Y34 PolarHBondContact ND2-N 3.35Å; N29-Y34 PolarHBondContact OD1-N 3.18Å |
| 30 | M | 30.8 | Very low | 32.3 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 70% | 0.7 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -62.1 | -176.9 | 160.2 | -55.4 | -158.5 | -59.1 | 0 | 0 | 111.2 | S32 | M30-S32 WeakPolarHBondContact CE-O 3.42Å; M30-S32 PolarHBondContact O-N 3.46Å |
| 31 | G | 49.3 | Very low | 32.2 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 91% | 0.907 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -56.7 | 78.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 32 | S | 40.4 | Very low | 32 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 44% | 0.441 | 71% | 0.711 | S | S | . | * | S | Bend | trans | 72.1 | 130.5 | -175.6 | -133.8 | 0 | 0 | 0 | 0 | 118.6 | M30 | M30-S32 WeakPolarHBondContact CE-O 3.42Å; M30-S32 PolarHBondContact O-N 3.46Å |
| 33 | H | 39.4 | Very low | 32.1 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | | | trans | 79.1 | 89.6 | 163.3 | -45.4 | -62.1 | 0 | 0 | 0 | 124.6 | N29 | N29-H33 WeakPolarHBondContact ND2-CA 3.02Å; N29-H33 PolarHBondContact ND2-N 3.45Å; N29-H33 WeakPolarHBondContact OD1-CA 3.42Å; N29-H33 PolarHBondContact OD1-N 3.47Å |
| 34 | Y | 31 | Very low | 33.2 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | | | trans | 63 | 136.4 | 142 | -89.1 | -99 | 0 | 0 | 0 | 125.1 | L28 N29 | L28-Y34 HydrophobicContact CD1-CD1 4.05Å; L28-Y34 HydrophobicContact CD1-CE1 4.24Å; L28-Y34 HydrophobicContact CD1-CG 4.31Å; N29-Y34 PolarHBondContact ND2-N 3.35Å; N29-Y34 PolarHBondContact OD1-N 3.18Å |
| 35 | K | 29.1 | Very low | 34 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 74% | 0.735 | 72% | 0.718 | S | S | * | * | | | trans | 61.2 | 165.8 | 164.9 | -72.6 | 174.3 | 179.8 | 177.3 | 0 | 116.3 | | |
| 36 | S | 23.6 | Very low | 33.7 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | | | cis | -165.7 | 173.7 | -34.9 | -97.3 | 0 | 0 | 0 | 0 | 108 | | |
| 37 | P | 49.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | | | trans | -109.4 | 167.7 | -153 | 40.6 | -31.1 | 0 | 0 | 0 | 116.5 | | |
| 38 | G | 27.8 | Very low | 34.1 | Very low | 66 Ų | 66 | 113.9 Ų | 113.9 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | | | trans | 179.6 | 103.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 39 | F | 29.4 | Very low | 34 | Very low | 208 Ų | 208 | 118 Ų | 118 | 91% | 0.912 | 74% | 0.736 | S | S | * | * | | | trans | 64.7 | 173.7 | 140 | -79.4 | -88.9 | 0 | 0 | 0 | 123.6 | | |
| 40 | H | 32.6 | Very low | 34.3 | Very low | 180 Ų | 180 | 118.1 Ų | 118.1 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | | | trans | -105.9 | 145 | -157.8 | -63 | -113.9 | 0 | 0 | 0 | 115.3 | | |
| 41 | A | 28.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 88% | 0.884 | 75% | 0.746 | S | S | * | * | | | trans | -172.6 | 157.3 | 139.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 42 | G | 28.1 | Very low | 33.6 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | cis | 144.4 | 113.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 43 | G | 27.6 | Very low | 33.2 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 130.2 | 138.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 44 | P | 52.2 | Low | 33.7 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -96 | -160.6 | 164.9 | 43.8 | -37 | 0 | 0 | 0 | 109.5 | | |
| 45 | P | 45.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | cis | -139.4 | -170.3 | -1.1 | 44.5 | -26.2 | 0 | 0 | 0 | 116.1 | | |
| 46 | G | 28.2 | Very low | 33.9 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 86.5 | 174.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 47 | A | 31.7 | Very low | 34.2 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | cis | -175.9 | 178.7 | -21.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 48 | V | 33 | Very low | 33.2 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | 60.7 | 132.8 | 175.1 | -66.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 49 | E | 30.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | | 65 | 144.1 | 59.8 | -72.3 | -143.5 | 86.5 | 0 | 0 | 114.4 | | |
| 50 | S | 33.6 | Very low | 33.9 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | | | cis | -168 | 147.2 | -16.2 | -101.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 51 | A | 31.6 | Very low | 34.4 | Very low | 91 Ų | 91 | 114.8 Ų | 114.8 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | 52.6 | 140.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 52 | M | 32.2 | Very low | 34.8 | Very low | 188 Ų | 188 | 112 Ų | 112 | 93% | 0.926 | 72% | 0.715 | S | S | * | * | | | | 171.9 | 153.6 | 109.3 | -87.9 | -171.4 | -155.5 | 0 | 0 | 111.6 | | |
| 53 | G | 32.5 | Very low | 35.7 | Very low | 69 Ų | 69 | 115.8 Ų | 115.8 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | -92.2 | -141.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 54 | P | 49.2 | Very low | 36 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 71% | 0.714 | 71% | 0.705 | S | S | * | * | | | cis | -137.4 | -160.2 | -1 | 34.1 | -10.4 | 0 | 0 | 0 | 113.2 | | |
| 55 | M | 31.4 | Very low | 35.2 | Very low | 179 Ų | 179 | 117.9 Ų | 117.9 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | | | trans | 72 | 150.8 | 170.4 | -46.8 | -173.3 | -166.2 | 0 | 0 | 114.7 | | |
| 56 | N | 33.3 | Very low | 34.6 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | | | cis | -143.1 | 138.4 | 23.4 | -170.6 | 14.6 | 0 | 0 | 0 | 112 | | |
| 57 | E | 30.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 117 Ų | 117 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | | | trans | -84.7 | 162 | 174.7 | -80 | -171.8 | 86.7 | 0 | 0 | 112.2 | | |
| 58 | S | 28.2 | Very low | 34.7 | Very low | 40 Ų | 40 | 118.4 Ų | 118.4 | 28% | 0.28 | 66% | 0.663 | S | S | . | * | | | trans | 172.6 | 101.9 | 142.5 | -90 | 0 | 0 | 0 | 0 | 113.8 | T830 G831 N832 | S58-T830 CarbonylContact O-C 2.8Å; S58-G831 PolarHBondContact O-N 3.45Å; S58-N832 VanDerWaalsContact C-N 3.31Å; S58-N832 PolarHBondContact O-N 3.09Å; S58-N832 VanDerWaalsContact OG-CB 3.32Å; S58-N832 WeakPolarHBondContact OG-CB 3.46Å; S58-N832 VanDerWaalsContact OG-CG 3.3Å; S58-N832 PolarHBondContact OG-ND2 3.28Å |
| 59 | Q | 35.8 | Very low | 34.7 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | S | Bend | | -177 | 116 | 129.9 | -155.1 | 131.9 | 46.3 | 0 | 0 | 114.8 | G831 N832 | Q59-G831 PolarHBondContact NE2-O 2.97Å; Q59-N832 VanDerWaalsContact CA-CA 3.47Å; Q59-N832 VanDerWaalsContact CA-N 3.31Å; Q59-N832 PolarHBondContact NE2-O 3.47Å |
| 60 | M | 35.8 | Very low | 35 | Very low | 120 Ų | 120 | 115.1 Ų | 115.1 | 59% | 0.591 | 65% | 0.653 | S | S | * | * | | | trans | 62.7 | 64.8 | 156.3 | -68.9 | 168.4 | -169.7 | 0 | 0 | 121 | S833 | M60-S833 WeakPolarHBondContact CE-O 3.44Å; M60-S833 WeakPolarHBondContact CG-O 3.44Å |
| 61 | L | 42.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 58% | 0.576 | 65% | 0.651 | S | S | * | * | | | trans | 4.6 | 127.8 | 135.9 | -80.2 | 162.6 | 0 | 0 | 0 | 120.9 | N834 | L61-N834 HydrophobicContact CD1-CB 4.49Å; L61-N834 WeakPolarHBondContact CD1-OD1 3.06Å |
| 62 | G | 36.5 | Very low | 35.2 | Very low | 48 Ų | 48 | 121.3 Ų | 121.3 | 50% | 0.495 | 66% | 0.657 | S | S | . | * | | | | 125 | 101.7 | 115.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | K836 | G62-K836 VanDerWaalsContact O-CG 3.27Å; G62-K836 WeakPolarHBondContact O-CG 3.02Å |
| 63 | L | 47.8 | Very low | 35 | Very low | 164 Ų | 164 | 116.8 Ų | 116.8 | 86% | 0.859 | 65% | 0.649 | S | S | * | * | | | trans | -68.2 | 119.7 | 173.1 | -61 | 158.9 | 0 | 0 | 0 | 115.1 | K836 | L63-K836 WeakPolarHBondContact O-CE 3.28Å; L63-K836 PolarHBondContact O-NZ 3.47Å |
| 64 | N | 33.5 | Very low | 35.1 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | | | trans | -162.6 | 149.9 | 143.2 | -149.8 | 1.8 | 0 | 0 | 0 | 115.7 | K836 | N64-K836 HydrophobicContact CB-CD 4.07Š|
| 65 | M | 35.1 | Very low | 34.2 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | | | trans | -62.8 | 161.6 | 170 | -44.2 | 167.1 | -70.8 | 0 | 0 | 113.2 | | |
| 66 | N | 32.7 | Very low | 34.2 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 37% | 0.374 | 66% | 0.655 | S | S | . | * | | | | -167.1 | -110.9 | 117.5 | -164.7 | 17.1 | 0 | 0 | 0 | 112.4 | V838 S839 Q840 | N66-V838 HydrophobicContact CB-CB 3.85Å; N66-V838 HydrophobicContact CB-CG1 3.78Å; N66-V838 HydrophobicContact CB-CG2 3.46Å; N66-V838 VanDerWaalsContact CB-CG2 3.46Å; N66-S839 VanDerWaalsContact C-CA 3.46Å; N66-S839 CarbonylContact C-O 3.2Å; N66-S839 VanDerWaalsContact C-O 3.28Å; N66-S839 PolarHBondContact N-O 2.65Å; N66-S839 CarbonylContact O-C 3.18Å; N66-Q840 WeakPolarHBondContact O-CA 3.37Å; N66-Q840 WeakPolarHBondContact O-CB 3.45Å; N66-Q840 WeakPolarHBondContact O-CG 3.16Å; N66-Q840 PolarHBondContact O-N 3.42Å |
| 67 | M | 32.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 120 Ų | 120 | 54% | 0.542 | 66% | 0.655 | S | S | . | * | | | trans | -114.8 | 152.2 | -158 | -70.7 | -144.1 | 169.9 | 0 | 0 | 123.1 | S839 Q840 | M67-S839 VanDerWaalsContact N-C 3.34Å; M67-Q840 PolarHBondContact O-N 3.01Å |
| 68 | N | 31.1 | Very low | 35 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | | | trans | 51.9 | 141.1 | 142.2 | -69.2 | -19.7 | 0 | 0 | 0 | 127.5 | Q840 S841 | N68-Q840 PolarHBondContact N-O 3.02Å; N68-S841 VanDerWaalsContact CA-OG 3.26Å; N68-S841 WeakPolarHBondContact CA-OG 3.42Å; N68-S841 PolarHBondContact N-OG 3.11Å; N68-S841 PolarHBondContact OD1-OG 3.41Å |
| 69 | G | 33 | Very low | 35 | Very low | 54 Ų | 54 | 124.3 Ų | 124.3 | 56% | 0.557 | 68% | 0.678 | S | S | * | * | | | trans | 137.5 | 131.5 | 144 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 70 | E | 35 | Very low | 34.8 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | | | cis | 50.3 | 138 | 22.5 | -86.4 | -72.8 | 105.1 | 0 | 0 | 114.2 | | |
| 71 | P | 44.1 | Very low | 35.6 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 58% | 0.578 | 69% | 0.694 | S | S | * | * | | | cis | -147.1 | -162.8 | 7.5 | 39.8 | -16.5 | 0 | 0 | 0 | 116.4 | | |
| 72 | Y | 26.7 | Very low | 35 | Very low | 221 Ų | 221 | 127 Ų | 127 | 87% | 0.867 | 70% | 0.698 | S | S | * | * | | | trans | 82.7 | 150.1 | 141.1 | -109.5 | -91.6 | 0 | 0 | 0 | 124.3 | | |
| 73 | A | 27.8 | Very low | 34.9 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | trans | 68.4 | 134.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 74 | G | 33.2 | Very low | 34.4 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | | | trans | -176.3 | -20.3 | 178 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 75 | F | 30.9 | Very low | 34.4 | Very low | 205 Ų | 205 | 131.6 Ų | 131.6 | 90% | 0.899 | 71% | 0.709 | S | S | * | * | | | trans | 65.5 | 137 | 172.5 | -79.2 | -91 | 0 | 0 | 0 | 120.9 | | |
| 76 | H | 32.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | | | trans | -58.2 | 164.9 | 160.1 | -68.6 | -66.2 | 0 | 0 | 0 | 112.9 | | |
| 77 | P | 42.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | | | cis | -122.1 | 166.2 | 26.8 | 36.9 | -20.9 | 0 | 0 | 0 | 115.3 | | |
| 78 | R | 36.2 | Very low | 34.4 | Very low | 239 Ų | 239 | 127.7 Ų | 127.7 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | | | cis | -147.5 | 179.1 | 9.9 | -125.2 | 157.3 | -176.7 | 148.1 | -0.6 | 108 | | |
| 79 | G | 29.7 | Very low | 34.5 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | cis | -176.7 | -155.5 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 80 | H | 31 | Very low | 34.5 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | trans | -157.5 | 173.8 | 179.7 | -128.3 | -121.4 | 0 | 0 | 0 | 107.9 | | |
| 81 | P | 52.2 | Low | 34.3 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | cis | -123.2 | -146 | 9.5 | 35.2 | -10.9 | 0 | 0 | 0 | 111.7 | | |
| 82 | D | 29.8 | Very low | 33.8 | Very low | 124 Ų | 124 | 139 Ų | 139 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | cis | -154.8 | -160.5 | 7.5 | -141.5 | -56.3 | 0 | 0 | 0 | 112.9 | | |
| 83 | M | 34.3 | Very low | 34.2 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | | | trans | -148 | 175.2 | -154 | -169.4 | 170.4 | 166.3 | 0 | 0 | 116.3 | | |
| 84 | H | 37.4 | Very low | 34.6 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | trans | 97.2 | 118.7 | 155.1 | -93.1 | -68.9 | 0 | 0 | 0 | 123.5 | | |
| 85 | T | 33.8 | Very low | 34.7 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 39.7 | 102.1 | 138 | -46.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 86 | G | 32.1 | Very low | 34.7 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | | | | 63.3 | 100.6 | 111.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 87 | G | 33.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | | | trans | 113.2 | 134.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 88 | G | 34.4 | Very low | 35.1 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | 115.3 | 86.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 89 | L | 34.3 | Very low | 35.1 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | 54.9 | 125.6 | 142 | -65.3 | 169.9 | 0 | 0 | 0 | 122.5 | | |
| 90 | Q | 32.2 | Very low | 34.9 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | 77.3 | 144.3 | 152.4 | -65.5 | -166 | 25.5 | 0 | 0 | 121.4 | | |
| 91 | Q | 31.5 | Very low | 34.9 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | 60.7 | 105.3 | 159.8 | -69.3 | 179.8 | 68.3 | 0 | 0 | 120.2 | Q93 | Q91-Q93 PolarHBondContact O-N 3.34Å; Q91-Q93 VanDerWaalsContact O-N 3.08Å |
| 92 | Q | 34.3 | Very low | 33.8 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | | 32.1 | 65.7 | 123 | -163 | -177 | -7.2 | 0 | 0 | 118.6 | | |
| 93 | Q | 34.5 | Very low | 33.6 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | trans | -171.9 | 145.6 | 147.4 | -108.9 | 176.7 | 65.9 | 0 | 0 | 114.4 | Q91 | Q91-Q93 PolarHBondContact O-N 3.34Å; Q91-Q93 VanDerWaalsContact O-N 3.08Å |
| 94 | Q | 35.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 64% | 0.64 | 76% | 0.761 | S | S | * | * | | | trans | 58.5 | 123.9 | 148 | -61.2 | -167.5 | 65.6 | 0 | 0 | 123.9 | | |
| 95 | Q | 36.2 | Very low | 33 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | trans | 72.6 | 173.9 | 143.9 | -57.2 | -177.3 | 64.2 | 0 | 0 | 120.2 | | |
| 96 | G | 31.3 | Very low | 33.4 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | -150.9 | -152.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 97 | P | 52.5 | Low | 34 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | cis | -143.3 | -164.1 | -9.3 | 39.8 | -16.2 | 0 | 0 | 0 | 116.5 | | |
| 98 | M | 31.9 | Very low | 34 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | 80.9 | 128.1 | 153.1 | -62.5 | -63.6 | -87 | 0 | 0 | 126.9 | | |
| 99 | H | 34.2 | Very low | 33.9 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 47.2 | 149.4 | 138.8 | -90.6 | -97 | 0 | 0 | 0 | 127.8 | | |
| 100 | G | 27 | Very low | 33.7 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | -169.2 | 165.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 101 | F | 31 | Very low | 33.7 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -144.9 | 174.5 | -164.6 | -104.8 | -98.9 | 0 | 0 | 0 | 116.1 | | |
| 102 | F | 29.3 | Very low | 34.2 | Very low | 184 Ų | 184 | 144 Ų | 144 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | trans | 93.7 | 99.9 | 154.4 | -88.7 | -77.2 | 0 | 0 | 0 | 123.6 | | |
| 103 | N | 26 | Very low | 34.2 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | | | | 22.9 | 127.9 | 127.8 | -162.6 | 38.8 | 0 | 0 | 0 | 122.3 | | |
| 104 | N | 30.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | | -175 | 159.8 | 118.7 | -94.6 | -19 | 0 | 0 | 0 | 112.9 | | |
| 105 | Q | 28.3 | Very low | 33.9 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -100.4 | 166.3 | 179 | -94.5 | -103.4 | -44.6 | 0 | 0 | 112.2 | | |
| 106 | P | 42.2 | Very low | 33.8 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | -96.8 | 178.2 | -148.1 | 38.9 | -39.5 | 0 | 0 | 0 | 115.6 | | |
| 107 | P | 43.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | | -124.3 | 167.3 | 128.6 | 37.6 | -32.3 | 0 | 0 | 0 | 114.2 | | |
| 108 | H | 33.8 | Very low | 33.4 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -67.9 | 149.6 | -173.6 | -48.4 | -104.4 | 0 | 0 | 0 | 115 | | |
| 109 | Q | 32.9 | Very low | 34 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | | | | -176.9 | 152.3 | 125.8 | -102.1 | 171.1 | 24.1 | 0 | 0 | 112 | | |
| 110 | G | 29 | Very low | 34 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 95.7 | 116.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 111 | H | 32.4 | Very low | 34.4 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | -70.9 | 162.2 | 143.2 | -72.9 | -64.4 | 0 | 0 | 0 | 109 | | |
| 112 | P | 42.9 | Very low | 34.7 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | cis | -143.8 | -166.2 | 35.4 | 43 | -22.3 | 0 | 0 | 0 | 116.6 | | |
| 113 | H | 33 | Very low | 35.1 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | -63.6 | 142.7 | 165.4 | -96.4 | 31.3 | 0 | 0 | 0 | 112.6 | | |
| 114 | A | 29.8 | Very low | 36.5 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -154.3 | 149 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 115 | H | 33.3 | Very low | 36.7 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -110.5 | 137.9 | -174.9 | -74.5 | -108.6 | 0 | 0 | 0 | 112.9 | | |
| 116 | Q | 35.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | 63.6 | 172.4 | 156.7 | -79.1 | -146.4 | 4.2 | 0 | 0 | 116.9 | | |
| 117 | P | 42.3 | Very low | 36.7 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | cis | -127 | -177.9 | 7 | 42.7 | -27.9 | 0 | 0 | 0 | 116 | | |
| 118 | H | 32.1 | Very low | 36 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | trans | -128.6 | 143.5 | 160.1 | -87.2 | 5 | 0 | 0 | 0 | 110.5 | | |
| 119 | P | 46.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -98.1 | 156.5 | -163.1 | 37.3 | -36.9 | 0 | 0 | 0 | 115.7 | | |
| 120 | H | 33.7 | Very low | 35.8 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -104.1 | 154.4 | 155.2 | -71.1 | -84.2 | 0 | 0 | 0 | 109.8 | | |
| 121 | Q | 35.4 | Very low | 35.8 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -145.2 | 154.1 | 170.5 | -94.3 | -61.1 | 2.4 | 0 | 0 | 113.6 | | |
| 122 | H | 36.9 | Very low | 35.8 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | | | trans | -140.9 | 173.5 | -169.5 | -84.1 | -119.4 | 0 | 0 | 0 | 109.5 | | |
| 123 | H | 37.2 | Very low | 36 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -134.3 | -121.4 | 3.7 | -143.9 | -38.1 | 0 | 0 | 0 | 110.2 | | |
| 124 | P | 56.4 | Low | 36.2 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | cis | -134.4 | 172.8 | -12.1 | 43.5 | -26.3 | 0 | 0 | 0 | 116.4 | | |
| 125 | H | 32.9 | Very low | 37 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | -142.4 | 153.9 | 152.8 | -88.8 | -75.6 | 0 | 0 | 0 | 110 | | |
| 126 | F | 34.4 | Very low | 37 | Very low | 219 Ų | 219 | 137.5 Ų | 137.5 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | | | trans | -90.2 | 164.7 | -179.4 | -116.5 | -109.1 | 0 | 0 | 0 | 111.8 | | |
| 127 | G | 37.4 | Very low | 36.7 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -140.3 | 171.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 128 | G | 29.5 | Very low | 36 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -175.3 | 136.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 129 | N | 31.1 | Very low | 35.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | | | trans | -92.6 | 178.1 | -157 | -161.7 | 73.6 | 0 | 0 | 0 | 116.2 | | |
| 130 | F | 30.5 | Very low | 35.5 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | | | trans | 75.7 | 149 | 171.1 | -51.8 | -80.7 | 0 | 0 | 0 | 117.5 | | |
| 131 | G | 29 | Very low | 35.5 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | cis | -173.2 | 167.2 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 132 | G | 31.6 | Very low | 35.3 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | -82.9 | -166 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 133 | P | 47.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | cis | -141.5 | 170.6 | 27.7 | 43.1 | -25.3 | 0 | 0 | 0 | 118.8 | | |
| 134 | D | 37.4 | Very low | 34.8 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | | | trans | -86.1 | 166.7 | 164.1 | -65 | -83.4 | 0 | 0 | 0 | 113.1 | | |
| 135 | P | 48.1 | Very low | 33.9 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | | | | -155.5 | 127.9 | 102.8 | 36.2 | -15.9 | 0 | 0 | 0 | 118.9 | | |
| 136 | G | 31.8 | Very low | 33.8 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 80 | 155.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 137 | S | 30.2 | Very low | 33.5 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | cis | -165.2 | 169 | -7.2 | 64.7 | 0 | 0 | 0 | 0 | 113 | | |
| 138 | S | 27.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | 66.1 | 128.9 | 179.4 | 72.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 139 | C | 29.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | cis | -131.6 | 149.2 | 23.6 | -77.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 140 | L | 36.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | 33.3 | 126.1 | 149.9 | -61.1 | 172.1 | 0 | 0 | 0 | 121.9 | | |
| 141 | H | 34.1 | Very low | 33.3 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 15.4 | 129.1 | 141.7 | -55.6 | 90.8 | 0 | 0 | 0 | 119.6 | | |
| 142 | G | 31.3 | Very low | 33.8 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | cis | 172.7 | 137.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 143 | G | 32.8 | Very low | 34.2 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -95.5 | 136.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 144 | R | 31.5 | Very low | 33.9 | Very low | 237 Ų | 237 | 129.9 Ų | 129.9 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 61.2 | 121.7 | 165.1 | -55.8 | 179.8 | -174.2 | -114.4 | 0.2 | 117.5 | | |
| 145 | L | 36 | Very low | 34.5 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | 54.9 | 87.4 | 143.4 | -63.8 | 166.4 | 0 | 0 | 0 | 117.9 | | |
| 146 | M | 32 | Very low | 34 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | | | trans | -148 | 141 | 135.7 | -144.6 | 61 | 177.1 | 0 | 0 | 108 | | |
| 147 | G | 28.5 | Very low | 34.1 | Very low | 49 Ų | 49 | 130.2 Ų | 130.2 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | | | cis | 125.7 | 50.1 | 5.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 148 | Y | 31.1 | Very low | 34.6 | Very low | 215 Ų | 215 | 128.1 Ų | 128.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | -125.8 | 130.6 | 165.1 | -82.2 | -90.4 | 0 | 0 | 0 | 108.8 | | |
| 149 | N | 30.5 | Very low | 35 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | cis | -145.4 | 147.7 | -13.4 | -158.4 | -105.1 | 0 | 0 | 0 | 111.8 | | |
| 150 | S | 29.9 | Very low | 35.2 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | | | trans | -28.3 | 129.4 | 161.1 | -44.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 151 | N | 32.9 | Very low | 35 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | | | trans | 173.6 | 114.8 | 133.1 | -86.9 | -19.8 | 0 | 0 | 0 | 108.8 | | |
| 152 | G | 38.8 | Very low | 35.1 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | cis | 178.3 | -176.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 153 | M | 40.2 | Very low | 35.2 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | | | trans | 40.1 | 120.7 | 149.8 | -78.9 | 50.8 | 178.5 | 0 | 0 | 118.8 | | |
| 154 | G | 40.4 | Very low | 35.2 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | cis | 175.9 | -127.6 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 155 | P | 49.9 | Very low | 35.8 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 42% | 0.416 | 76% | 0.755 | S | S | . | * | | | cis | -143.1 | 106.1 | 2.9 | 38.4 | -16.4 | 0 | 0 | 0 | 115.9 | R597 | P155-R597 HydrophobicContact CB-CB 4.17Å; P155-R597 PolarHBondContact O-NE 3.48Å; P155-R597 PolarHBondContact O-NH2 3.37Å |
| 156 | Q | 37.9 | Very low | 35.8 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 64% | 0.64 | 74% | 0.738 | S | S | * | * | | | trans | 60.2 | 120.5 | 154.7 | -103.4 | -168.4 | -10.1 | 0 | 0 | 120.1 | G158 R597 | Q156-G158 PolarHBondContact O-N 2.71Å; Q156-R597 PolarHBondContact O-NH2 2.83Å |
| 157 | Q | 33 | Very low | 35.8 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | | 41.8 | 74.5 | 119.2 | -69.6 | -86.5 | -24 | 0 | 0 | 116.2 | | |
| 158 | G | 41.8 | Very low | 35.9 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | trans | -109.9 | 152.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q156 | Q156-G158 PolarHBondContact O-N 2.71Š|
| 159 | F | 35.3 | Very low | 36.1 | Very low | 210 Ų | 210 | 118.8 Ų | 118.8 | 92% | 0.921 | 70% | 0.703 | S | S | * | * | | | trans | -82.3 | 127.3 | 176.1 | -81.6 | -108.1 | 0 | 0 | 0 | 110.5 | | |
| 160 | G | 35.9 | Very low | 36 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 96.9 | 137.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 161 | E | 31.7 | Very low | 36.3 | Very low | 209 Ų | 209 | 119.4 Ų | 119.4 | 98% | 0.977 | 71% | 0.71 | S | S | * | * | | | trans | 40.7 | 120.9 | 138.2 | -54.9 | 175.9 | 143.7 | 0 | 0 | 119.6 | | |
| 162 | G | 36.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 114.8 Ų | 114.8 | 81% | 0.814 | 70% | 0.7 | S | S | * | * | | | trans | 169.7 | 142.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 163 | F | 33.1 | Very low | 35.9 | Very low | 221 Ų | 221 | 121.6 Ų | 121.6 | 97% | 0.969 | 72% | 0.716 | S | S | * | * | | | trans | -85.9 | 163.3 | 174.8 | -95.7 | -112.8 | 0 | 0 | 0 | 112.6 | | |
| 164 | D | 32.8 | Very low | 35.5 | Very low | 144 Ų | 144 | 116.2 Ų | 116.2 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | | | trans | -115.7 | 162 | 161.8 | -156.5 | 27.6 | 0 | 0 | 0 | 106.2 | | |
| 165 | P | 43.2 | Very low | 35.1 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | | | cis | -133.7 | -178.1 | -1.5 | 43.9 | -28.3 | 0 | 0 | 0 | 115 | | |
| 166 | L | 36.3 | Very low | 34.8 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 50% | 0.503 | 73% | 0.728 | S | S | . | * | | | trans | -73.4 | 128.4 | 154 | -71.9 | 162.1 | 0 | 0 | 0 | 109.1 | G592 | L166-G592 VanDerWaalsContact CD1-C 3.43Å; L166-G592 VanDerWaalsContact CD1-O 3.23Å; L166-G592 WeakPolarHBondContact CD1-O 3.42Å; L166-G592 WeakPolarHBondContact CD2-O 3.36Å |
| 167 | A | 32.5 | Very low | 34.5 | Very low | 57 Ų | 57 | 124.7 Ų | 124.7 | 47% | 0.471 | 73% | 0.729 | S | S | . | * | | | | 72.1 | 85.5 | 65.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 168 | E | 31.6 | Very low | 34.4 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | trans | -138.5 | 90.2 | 159 | -163.2 | 68.1 | -173 | 0 | 0 | 104.5 | H589 | E168-H589 VanDerWaalsContact C-ND1 3.25Å; E168-H589 VanDerWaalsContact CD-CB 3.42Å; E168-H589 VanDerWaalsContact CD-CD2 3.49Å; E168-H589 VanDerWaalsContact CD-CG 3.48Å; E168-H589 HydrophobicContact CG-CB 3.97Å; E168-H589 WeakPolarHBondContact OE1-CB 3.47Å; E168-H589 IonicContact OE1-CD2 2.96Å; E168-H589 PolarHBondContact OE1-CD2 3.42Å; E168-H589 IonicContact OE1-CG 2.68Å; E168-H589 IonicContact OE1-NE2 3.2Å |
| 169 | G | 34.1 | Very low | 34 | Very low | 33 Ų | 33 | 127.6 Ų | 127.6 | 34% | 0.34 | 72% | 0.724 | S | S | . | * | | | trans | -101.9 | -148.8 | -148.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | S588 H589 | G169-S588 CarbonylContact C-O 3.39Å; G169-H589 PolarHBondContact N-ND1 2.95Å; G169-H589 PolarHBondContact O-CE1 3.06Å; G169-H589 VanDerWaalsContact O-CE1 3.28Å; G169-H589 PolarHBondContact O-ND1 3.47Å |
| 170 | Q | 28.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 57% | 0.565 | 71% | 0.713 | S | S | * | * | | | trans | 51.6 | 80.4 | 150.4 | -119.2 | 178.5 | -7.5 | 0 | 0 | 119.7 | S588 | Q170-S588 WeakPolarHBondContact CA-O 3.45Å; Q170-S588 WeakPolarHBondContact CB-O 3.2Å; Q170-S588 PolarHBondContact O-N 3.38Å; Q170-S588 PolarHBondContact OE1-OG 3.35Å |
| 171 | A | 36.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | | -142.2 | 149.2 | 129.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 172 | G | 32.2 | Very low | 34.4 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | | | cis | 141.5 | 76 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 173 | E | 31.6 | Very low | 34.3 | Very low | 207 Ų | 207 | 128 Ų | 128 | 97% | 0.967 | 70% | 0.7 | S | S | * | * | | | trans | 65.5 | 172.3 | 176.9 | -46.9 | -164 | 142.5 | 0 | 0 | 116.7 | | |
| 174 | G | 31.6 | Very low | 34 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | | | trans | 120 | 32 | 164.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 175 | F | 31 | Very low | 34.4 | Very low | 204 Ų | 204 | 126.6 Ų | 126.6 | 90% | 0.895 | 69% | 0.693 | S | S | * | * | | | trans | -57.5 | 162.3 | 159.5 | -81.6 | -87.1 | 0 | 0 | 0 | 111.5 | | |
| 176 | P | 43.6 | Very low | 33.7 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | | | cis | -144 | 178.4 | 22.9 | 44 | -25.3 | 0 | 0 | 0 | 118.3 | | |
| 177 | Q | 31.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | trans | 62.6 | 120.4 | 145.9 | -79.2 | -174.4 | -69.5 | 0 | 0 | 120.6 | | |
| 178 | Q | 31 | Very low | 33.4 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | | | | 67.3 | 138.4 | 86.3 | -68.2 | 171.6 | 8.8 | 0 | 0 | 112.8 | | |
| 179 | Q | 33.2 | Very low | 34.1 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | | | cis | -168.3 | -163.8 | 16.4 | -120.6 | 161.8 | 19.9 | 0 | 0 | 107 | | |
| 180 | P | 44.3 | Very low | 33.6 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | | -91.1 | 168.1 | -65.3 | 13.4 | 10.4 | 0 | 0 | 0 | 110.4 | | |
| 181 | Q | 32.1 | Very low | 33.6 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | | 62.8 | 124.2 | 58.5 | -143.8 | 174.2 | -5 | 0 | 0 | 111.4 | | |
| 182 | Q | 35.3 | Very low | 33.2 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | | | cis | -139.8 | -148.5 | 0.4 | -133.1 | 170 | 23.8 | 0 | 0 | 107.4 | | |
| 183 | Q | 33.4 | Very low | 33.1 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | cis | -155.4 | 174.2 | 8.8 | -143.3 | 158.2 | 55.5 | 0 | 0 | 111.4 | | |
| 184 | R | 27.7 | Very low | 33 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | | | trans | -136.6 | 168.4 | 165.5 | -129.9 | -167.8 | 166.9 | 167.6 | -6 | 105.3 | | |
| 185 | P | 41.4 | Very low | 32.7 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | cis | -143.4 | 170.7 | 47.7 | 38.5 | -18.3 | 0 | 0 | 0 | 116.2 | | |
| 186 | A | 28.6 | Very low | 33.3 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | | | trans | -135.8 | 139.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 187 | N | 28 | Very low | 33.2 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | | | trans | -119.5 | 115.6 | -174.6 | -147.6 | 59.5 | 0 | 0 | 0 | 111.7 | | |
| 188 | I | 33.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | | | trans | -29 | 172.4 | 153.3 | 53.3 | 165.5 | 0 | 0 | 0 | 117 | | |
| 189 | P | 45.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | cis | -139.8 | 178.6 | -42.9 | 39.5 | -23.8 | 0 | 0 | 0 | 112.9 | | |
| 190 | E | 25.3 | Very low | 32.7 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | trans | -150.3 | 157.9 | 158.6 | -158.7 | 89.9 | -113.9 | 0 | 0 | 112.1 | | |
| 191 | F | 27.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -77.6 | 173.9 | -176.1 | -72 | -96.9 | 0 | 0 | 0 | 113.8 | | |
| 192 | Q | 28.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | cis | 176.7 | 153.6 | -25.8 | -179.6 | 94.5 | -1.3 | 0 | 0 | 108.9 | | |
| 193 | H | 30 | Very low | 32.9 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 62% | 0.616 | 76% | 0.761 | S | S | * | * | | | trans | 71.3 | 120.1 | 159 | -71.1 | -48.2 | 0 | 0 | 0 | 123 | | |
| 194 | H | 29.2 | Very low | 33.4 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | 58 | 147.1 | 138 | -51.5 | -48.7 | 0 | 0 | 0 | 121.6 | | |
| 195 | G | 26.3 | Very low | 33.7 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | cis | -158.8 | -167.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 196 | P | 42.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -100.2 | 169.2 | -164 | 41.7 | -38.5 | 0 | 0 | 0 | 114.7 | | |
| 197 | P | 41.3 | Very low | 34.1 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | | -148.1 | 155.9 | 91.7 | 39.3 | -22.8 | 0 | 0 | 0 | 117.7 | | |
| 198 | S | 29.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | 48.1 | 123.2 | 150.4 | 60.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 199 | G | 28.6 | Very low | 35.5 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 172.4 | 65.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 200 | N | 28.5 | Very low | 35 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | 69.7 | 142.9 | 156.3 | -56.7 | -33.1 | 0 | 0 | 0 | 122.4 | | |
| 201 | H | 33.1 | Very low | 35.5 | Very low | 188 Ų | 188 | 131.8 Ų | 131.8 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -99.5 | -179.9 | 162.6 | -65.2 | -98.7 | 0 | 0 | 0 | 109.6 | | |
| 202 | P | 42 | Very low | 35.8 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | cis | -126.1 | -174.4 | -6.4 | 29.9 | -7.8 | 0 | 0 | 0 | 114.3 | | |
| 203 | V | 40.2 | Very low | 36 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -105.1 | 154.9 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | A205 | V203-A205 HydrophobicContact CG1-CB 4.1Š|
| 204 | P | 43.4 | Very low | 36.9 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | | -127.7 | 136.8 | 127.3 | 35.9 | -29.9 | 0 | 0 | 0 | 112 | | |
| 205 | A | 34 | Very low | 37.3 | Very low | 75 Ų | 75 | 128 Ų | 128 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | | | trans | -111.5 | 138.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V203 | V203-A205 HydrophobicContact CG1-CB 4.1Š|
| 206 | P | 43.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 137.8 | 165 | 30.7 | -32.4 | 0 | 0 | 0 | 109.7 | | |
| 207 | C | 36.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 153.8 | -172.7 | -66 | 0 | 0 | 0 | 0 | 113.3 | | |
| 208 | L | 41.7 | Very low | 36.9 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 134.7 | 170.1 | -65.5 | 168.9 | 0 | 0 | 0 | 110.7 | | |
| 209 | P | 48.8 | Very low | 36.9 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 123.5 | 158.3 | 30.6 | -30.3 | 0 | 0 | 0 | 109.7 | D211 | P209-D211 PolarHBondContact O-N 2.88Š|
| 210 | L | 34.9 | Very low | 37 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -81.7 | 108.6 | 169.5 | -82.1 | 153.9 | 0 | 0 | 0 | 109.3 | Q212 | L210-Q212 PolarHBondContact O-N 3.42Š|
| 211 | D | 36.4 | Very low | 37.4 | Very low | 160 Ų | 160 | 140 Ų | 140 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -79.7 | 95.5 | 169 | -171.5 | 12 | 0 | 0 | 0 | 109.4 | P209 | P209-D211 PolarHBondContact O-N 2.88Š|
| 212 | Q | 33.3 | Very low | 37.4 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 117.9 | 174.5 | -70.4 | -168.8 | 12.4 | 0 | 0 | 110.3 | L210 P214 | L210-Q212 PolarHBondContact O-N 3.42Å; Q212-P214 VanDerWaalsContact O-CD 3.25Å; Q212-P214 WeakPolarHBondContact O-CD 3.28Å |
| 213 | S | 32 | Very low | 37 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.3 | 175.3 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 214 | P | 50.1 | Low | 37 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 129.7 | 170.1 | -7.7 | 26.1 | 0 | 0 | 0 | 109.9 | Q212 | Q212-P214 VanDerWaalsContact O-CD 3.25Å; Q212-P214 WeakPolarHBondContact O-CD 3.28Å |
| 215 | N | 36.2 | Very low | 36.3 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -146.5 | 115.6 | 174.3 | -149.4 | -15.7 | 0 | 0 | 0 | 111.7 | | |
| 216 | R | 36.4 | Very low | 36 | Very low | 230 Ų | 230 | 137.2 Ų | 137.2 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | 62.3 | 120.8 | 174.8 | -79.1 | -177.4 | 164.7 | 169.3 | -5.2 | 120.1 | | |
| 217 | A | 34.3 | Very low | 35.2 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | 63.4 | 153.3 | 131.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 218 | A | 31.3 | Very low | 34.8 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | cis | -152.3 | 174.3 | 9.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 219 | S | 28.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | 71.5 | 140 | 159 | -150.1 | 0 | 0 | 0 | 0 | 120 | | |
| 220 | F | 32.1 | Very low | 33.3 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -86.2 | 156.6 | 164.2 | -79.6 | -107.2 | 0 | 0 | 0 | 110.8 | | |
| 221 | H | 36.4 | Very low | 33 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | | | | -179.3 | 143.5 | 113.9 | -95.7 | -72.5 | 0 | 0 | 0 | 110.6 | | |
| 222 | G | 32.3 | Very low | 32.7 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 88.3 | 100.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 223 | L | 34.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -94.3 | 168.1 | 159.2 | -80.7 | 179.7 | 0 | 0 | 0 | 109.2 | | |
| 224 | P | 39.4 | Very low | 32.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | cis | -137.3 | 175 | 27.2 | 42.1 | -23.5 | 0 | 0 | 0 | 118.3 | | |
| 225 | S | 29.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -76.5 | 156.5 | -177 | -45.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 226 | S | 27.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -155.1 | 127 | 148.1 | -82.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 227 | S | 27.7 | Very low | 31.4 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 20 | 149.7 | 131.8 | -46.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 228 | S | 27.2 | Very low | 32 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | 179.5 | 171.9 | -10.3 | -96.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 229 | T | 29.5 | Very low | 32.1 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 62.5 | 105.7 | 151.4 | 42.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 230 | S | 28.8 | Very low | 32.2 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | | 57.6 | 124.6 | 126.8 | 63.6 | 0 | 0 | 0 | 0 | 124.4 | | |
| 231 | S | 28.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | 57.1 | 142.5 | 132.3 | -57.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 232 | E | 30.2 | Very low | 32.3 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | cis | -156.8 | -174.1 | -10.4 | -116.5 | -171.1 | 65 | 0 | 0 | 108.7 | | |
| 233 | P | 38.6 | Very low | 32 | Very low | 95 Ų | 95 | 140 Ų | 140 | 62% | 0.617 | 77% | 0.77 | S | S | * | * | | | trans | -102 | 150.3 | -144.8 | 39.2 | -36.7 | 0 | 0 | 0 | 117.5 | | |
| 234 | H | 32.5 | Very low | 31.8 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | | | trans | -138.3 | 150.8 | 148.3 | -82.6 | -57.7 | 0 | 0 | 0 | 111.1 | | |
| 235 | T | 26.4 | Very low | 31.3 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -102.6 | 143.1 | -172.1 | 36.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 236 | M | 31.6 | Very low | 31.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | | | trans | 168.5 | 150.3 | 134.3 | -87 | -55.6 | 176.3 | 0 | 0 | 110.3 | | |
| 237 | E | 31.6 | Very low | 31.7 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -85 | 178.8 | 174 | -122.1 | -158.4 | 117.3 | 0 | 0 | 111.2 | | |
| 238 | P | 46.6 | Very low | 31.9 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 53% | 0.526 | 78% | 0.779 | S | S | . | * | | | cis | -142.1 | 176.2 | -7.7 | 40.1 | -21.4 | 0 | 0 | 0 | 117.7 | | |
| 239 | R | 34.3 | Very low | 32.2 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | 77.9 | 124.7 | 141.6 | -105.6 | -176.9 | -79.6 | 169.9 | -6 | 123.7 | | |
| 240 | R | 31.8 | Very low | 32.4 | Very low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | 76.2 | 125.1 | 142.7 | -88.4 | -175.5 | 177.5 | 168.8 | -1 | 122.7 | | |
| 241 | M | 29.7 | Very low | 32.7 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -57.3 | 164.5 | 155.1 | -73.8 | -74.8 | -83 | 0 | 0 | 113.2 | | |
| 242 | P | 39.3 | Very low | 32.7 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | cis | -147.2 | 164.9 | 32.3 | 43.2 | -23.8 | 0 | 0 | 0 | 120.7 | | |
| 243 | N | 27.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | | | trans | 28.7 | 146.4 | 138.9 | -159.1 | 28.8 | 0 | 0 | 0 | 123.4 | | |
| 244 | Q | 30.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | 117.1 | 144.3 | 156.7 | -67.7 | -72.6 | 4.1 | 0 | 0 | 117.2 | | |
| 245 | G | 29.6 | Very low | 32.8 | Very low | 77 Ų | 77 | 147.8 Ų | 147.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 101 | 134.3 | 151 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 246 | A | 28.7 | Very low | 33.1 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -134.2 | 148.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 247 | V | 36.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | 178.9 | 130.4 | 144 | -86.4 | 0 | 0 | 0 | 0 | 105.1 | | |
| 248 | E | 31.2 | Very low | 33.6 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | | 52.9 | 127.6 | 69.9 | -68.1 | -172.4 | 135.9 | 0 | 0 | 113.6 | | |
| 249 | G | 33.4 | Very low | 33.7 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | -176.1 | -173.2 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 250 | L | 34.4 | Very low | 33.8 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 94% | 0.942 | 78% | 0.781 | S | S | * | * | | | trans | -150.9 | 136.9 | 162.5 | -143.1 | 78.5 | 0 | 0 | 0 | 110.6 | | |
| 251 | E | 34.5 | Very low | 33.9 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | -104.5 | 163.1 | -161.5 | -56.2 | 160.6 | 86.6 | 0 | 0 | 114 | | |
| 252 | Y | 29 | Very low | 34 | Very low | 212 Ų | 212 | 133 Ų | 133 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -146.1 | 131.8 | 147.9 | -90.4 | -74.3 | 0 | 0 | 0 | 110.6 | | |
| 253 | N | 29.4 | Very low | 33.7 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | | | trans | -135.9 | 166.7 | -178.9 | -69.6 | -64.5 | 0 | 0 | 0 | 108.2 | | |
| 254 | F | 29.7 | Very low | 33.8 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | cis | -142.5 | -166.5 | 12.1 | -101.3 | -50.9 | 0 | 0 | 0 | 107.8 | S256 | F254-S256 WeakPolarHBondContact CD1-OG 3.45Å; F254-S256 WeakPolarHBondContact CE1-OG 3.29Å |
| 255 | P | 44.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | cis | -124.1 | 168.7 | 1.9 | 44.5 | -29.6 | 0 | 0 | 0 | 113.6 | | |
| 256 | S | 31.3 | Very low | 34.9 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 52% | 0.517 | 77% | 0.774 | S | S | . | * | | | cis | 80.9 | 98.9 | 28.4 | -55 | 0 | 0 | 0 | 0 | 116.1 | F254 | F254-S256 WeakPolarHBondContact CD1-OG 3.45Å; F254-S256 WeakPolarHBondContact CE1-OG 3.29Å |
| 257 | D | 31.5 | Very low | 34.9 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | | 170 | 132.1 | 128.3 | -90.8 | -11.3 | 0 | 0 | 0 | 113.4 | | |
| 258 | P | 42.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -132.9 | 128.7 | 153.8 | 35.4 | -21.3 | 0 | 0 | 0 | 113.1 | | |
| 259 | P | 49.2 | Very low | 34.8 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -82.5 | 149.7 | 171.7 | 33.2 | -33.6 | 0 | 0 | 0 | 112.5 | | |
| 260 | S | 36.1 | Very low | 34.7 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | trans | -107.2 | 158.9 | -176.5 | 53.8 | 0 | 0 | 0 | 0 | 113 | | |
| 261 | G | 34.9 | Very low | 34.5 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | | | trans | -177.2 | 95.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 262 | H | 31.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | 81.4 | 153 | 146.6 | -135.5 | -85.4 | 0 | 0 | 0 | 122.7 | | |
| 263 | F | 31.5 | Very low | 34.3 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | | | trans | -94.4 | 152.9 | -174.3 | -70.6 | -111.7 | 0 | 0 | 0 | 113.2 | | |
| 264 | D | 30.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | | -166.6 | 170.3 | 97.7 | -128.7 | -48 | 0 | 0 | 0 | 113.9 | | |
| 265 | V | 39.2 | Very low | 34.5 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | trans | -156.1 | 156.2 | -155.4 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 266 | P | 42.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | cis | -133.2 | -161.5 | -0.3 | 27.2 | -0.7 | 0 | 0 | 0 | 115.8 | | |
| 267 | V | 29.4 | Very low | 34.1 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | 73.8 | 112.3 | 154.6 | -138.3 | 0 | 0 | 0 | 0 | 121 | | |
| 268 | F | 27.3 | Very low | 34.8 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | | 174.4 | 149.2 | 101.8 | -105.3 | -75.7 | 0 | 0 | 0 | 113.7 | | |
| 269 | S | 37.3 | Very low | 34.3 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -81 | 165.3 | 164.7 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 270 | P | 31 | Very low | 33.4 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | | -128 | 159.9 | 124.7 | 36.7 | -31.6 | 0 | 0 | 0 | 113.6 | | |
| 271 | S | 30.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -141.2 | 122.4 | 162.6 | -65.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 272 | E | 27.3 | Very low | 33.8 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -145 | 112 | -179.7 | 51.3 | -161.8 | 99.7 | 0 | 0 | 112.1 | | |
| 273 | T | 31.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -92.6 | 140.1 | 151 | 48.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 274 | E | 30.5 | Very low | 34.3 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | | -169.6 | 171.3 | 120.6 | -160.8 | 138.8 | 121.9 | 0 | 0 | 110.2 | | |
| 275 | S | 33.4 | Very low | 34.8 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -129.7 | 137.4 | -175.6 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 276 | Q | 30.3 | Very low | 34.6 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -169 | 147.3 | 147.2 | -111.3 | 151.2 | 103.5 | 0 | 0 | 115.3 | | |
| 277 | L | 36.2 | Very low | 34.6 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | -96.5 | 173 | 159.3 | -77.1 | 165 | 0 | 0 | 0 | 107.7 | | |
| 278 | P | 45.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | cis | -143.1 | -164.7 | 22.8 | 42.9 | -21.5 | 0 | 0 | 0 | 116.8 | | |
| 279 | H | 32 | Very low | 34.7 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | | | trans | -64.2 | 157.5 | -179 | -55.4 | -85.2 | 0 | 0 | 0 | 116.3 | | |
| 280 | F | 31.9 | Very low | 34.5 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | | | | -166 | 164.4 | 103.6 | -95.1 | -69.4 | 0 | 0 | 0 | 110.5 | | |
| 281 | G | 36 | Very low | 34.3 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -113.5 | -155.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 282 | P | 43 | Very low | 35.3 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | cis | -130.3 | 170.5 | -5.8 | 41.2 | -26.3 | 0 | 0 | 0 | 114.7 | | |
| 283 | G | 34 | Very low | 35.4 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 101 | 161.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 284 | R | 38.9 | Very low | 35.4 | Very low | 248 Ų | 248 | 134.7 Ų | 134.7 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -87.5 | 157.4 | 171.1 | -75.6 | 179.2 | 171.5 | -130.1 | -1 | 109.5 | | |
| 285 | P | 40.7 | Very low | 35.6 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | cis | -138 | -165.8 | 28.2 | 41.1 | -21.1 | 0 | 0 | 0 | 116 | | |
| 286 | V | 35 | Very low | 35.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -63.3 | 165.5 | 166.3 | -71.2 | 0 | 0 | 0 | 0 | 113 | | |
| 287 | P | 43.9 | Very low | 35.6 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | cis | -135.6 | 178 | -4.5 | 37.6 | -18.6 | 0 | 0 | 0 | 117.1 | | |
| 288 | S | 27.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | 66.6 | 141 | 147.4 | 60.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 289 | G | 32.1 | Very low | 35.5 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 162.9 | 155.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 290 | N | 32.1 | Very low | 35.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -135.1 | 136.5 | -168.7 | -74.6 | 27.8 | 0 | 0 | 0 | 116.5 | | |
| 291 | F | 27.9 | Very low | 36.1 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | | | trans | 54.4 | 175.8 | 144.3 | -83 | -77.2 | 0 | 0 | 0 | 121.6 | | |
| 292 | P | 51.3 | Low | 35.8 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | cis | -139 | 167.7 | -22.9 | 34.9 | -15.2 | 0 | 0 | 0 | 118.5 | | |
| 293 | G | 30.1 | Very low | 35.3 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | trans | 74.8 | 176.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 294 | S | 31 | Very low | 35.3 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | cis | 178.3 | 158.8 | -30.1 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 295 | S | 35.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | 70.3 | 164.6 | 166.3 | 77.5 | 0 | 0 | 0 | 0 | 119 | | |
| 296 | G | 30.8 | Very low | 34.7 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | cis | -178.1 | 177.3 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 297 | M | 32.2 | Very low | 34.9 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | -102.4 | -161 | -179.8 | -49.6 | 143 | 60.9 | 0 | 0 | 111.4 | | |
| 298 | P | 49 | Very low | 34.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | | | cis | -142.2 | -179.1 | -16.4 | 42.8 | -23.9 | 0 | 0 | 0 | 117.9 | | |
| 299 | R | 30.9 | Very low | 34.9 | Very low | 242 Ų | 242 | 129.8 Ų | 129.8 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | 75.9 | 174.6 | 148.3 | -79.8 | 173.4 | -169.7 | -178.2 | 4.8 | 122.7 | | |
| 300 | T | 31.7 | Very low | 34.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -128.7 | -167.3 | -161.7 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 301 | P | 44.3 | Very low | 34.9 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | cis | -129.8 | -174 | -18.2 | 41.2 | -24.2 | 0 | 0 | 0 | 114.4 | | |
| 302 | G | 30 | Very low | 36.2 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 174 | 157.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 303 | M | 31.9 | Very low | 35.8 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | | | trans | -153.9 | 151 | -172.4 | -150.6 | -158.5 | 172.8 | 0 | 0 | 115.8 | | |
| 304 | Q | 34.2 | Very low | 36.6 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 69 | 149.6 | 166.9 | -46.8 | -178.1 | 7.6 | 0 | 0 | 117.1 | | |
| 305 | G | 35.4 | Very low | 37.1 | Very low | 63 Ų | 63 | 137.3 Ų | 137.3 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | cis | 170.5 | 169.5 | -9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 306 | I | 33 | Very low | 37.4 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | 59.1 | 160 | 160.7 | 68.2 | 162.9 | 0 | 0 | 0 | 121 | | |
| 307 | S | 37.2 | Very low | 37.6 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | cis | -167.6 | 124.5 | -31.8 | -90.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 308 | K | 39.8 | Very low | 37.4 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | 56.6 | 137.8 | 136.6 | -151.9 | 168.6 | -173.6 | 175.5 | 0 | 124.8 | | |
| 309 | G | 31.6 | Very low | 36.8 | Very low | 60 Ų | 60 | 138.9 Ų | 138.9 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | | | trans | -137.3 | -174.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 310 | H | 33.3 | Very low | 36.9 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | | | trans | -137.4 | 166.4 | -160.9 | -78.5 | 92.9 | 0 | 0 | 0 | 118.3 | | |
| 311 | Q | 31.4 | Very low | 37 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | 113.5 | 151.8 | 158.4 | -69.9 | -153.1 | -66.7 | 0 | 0 | 119.6 | | |
| 312 | P | 54.9 | Low | 37.1 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | | | trans | -125.5 | 172.3 | -146 | 44.7 | -31.8 | 0 | 0 | 0 | 116.9 | | |
| 313 | P | 44.4 | Very low | 37.2 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | S | Bend | | -111 | 166 | 107.4 | -14.1 | 32.1 | 0 | 0 | 0 | 114.7 | | |
| 314 | P | 45.6 | Very low | 37 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -116.1 | 166.2 | -142 | 41.3 | -34.3 | 0 | 0 | 0 | 118.5 | | |
| 315 | Q | 42.7 | Very low | 37.1 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | -60.7 | 155.6 | 174.8 | -80.5 | -176.4 | -26.1 | 0 | 0 | 115.7 | | |
| 316 | P | 41.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | | | | -93.8 | 128.1 | 104.3 | -22.9 | 35.6 | 0 | 0 | 0 | 111.3 | | |
| 317 | Q | 35.3 | Very low | 36.8 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | | 61.6 | 115.7 | 60 | -60.7 | -171.8 | 2.7 | 0 | 0 | 109.7 | | |
| 318 | Q | 27.9 | Very low | 36.8 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | cis | -153.6 | -174.9 | 26.4 | -81.2 | -156.8 | -13.4 | 0 | 0 | 111.7 | | |
| 319 | P | 36.5 | Very low | 36.5 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | | | cis | -124.9 | 171.2 | -36.5 | 26.4 | -5.8 | 0 | 0 | 0 | 110.5 | | |
| 320 | Q | 32.1 | Very low | 36.8 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | | | | 51 | 58 | 60.8 | -65.5 | -68.1 | -21.7 | 0 | 0 | 115.7 | | |
| 321 | H | 34.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | | | trans | -129.6 | 146.7 | 140.8 | -79.9 | -90.1 | 0 | 0 | 0 | 106.1 | | |
| 322 | G | 47.1 | Very low | 37.7 | Very low | 53 Ų | 53 | 136 Ų | 136 | 55% | 0.546 | 71% | 0.711 | S | S | . | * | | | cis | 116.6 | 104 | 35.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 323 | V | 30.9 | Very low | 36.9 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | S | Bend | | 31.3 | 113.6 | 54.2 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 324 | F | 28.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | | | trans | 59.3 | 126.8 | -172.6 | -48.7 | -84.4 | 0 | 0 | 0 | 112.8 | | |
| 325 | F | 36 | Very low | 36.5 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | | | cis | -117.6 | 138.1 | 16.8 | -88.7 | -124.6 | 0 | 0 | 0 | 109 | F328 | F325-F328 HydrophobicContact CE1-CE2 4.17Š|
| 326 | E | 28.3 | Very low | 36 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 51% | 0.514 | 72% | 0.721 | S | S | . | * | | | cis | 46.7 | 90.6 | 26.6 | -175 | 159.7 | -172.2 | 0 | 0 | 113.1 | | |
| 327 | R | 34.3 | Very low | 35.7 | Very low | 178 Ų | 178 | 138 Ų | 138 | 67% | 0.672 | 72% | 0.716 | S | S | * | * | | | | 65.2 | 111.6 | 129.4 | -179.7 | -168.2 | -176.1 | -175.5 | 1.4 | 117.6 | | |
| 328 | F | 35.9 | Very low | 36 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 82% | 0.82 | 72% | 0.723 | S | S | * | * | | | | -108.6 | 126.9 | 104.1 | -75.9 | -85.4 | 0 | 0 | 0 | 108 | F325 | F325-F328 HydrophobicContact CE1-CE2 4.17Š|
| 329 | G | 34.7 | Very low | 36.4 | Very low | 37 Ų | 37 | 138.2 Ų | 138.2 | 38% | 0.381 | 72% | 0.719 | S | S | . | * | | | cis | 105.6 | 37.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 330 | N | 37.4 | Very low | 36.5 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | | | trans | -148.8 | 125 | 150.7 | -91.8 | -39.3 | 0 | 0 | 0 | 108.4 | | |
| 331 | G | 41.9 | Very low | 36.7 | Very low | 57 Ų | 57 | 133.6 Ų | 133.6 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | | | cis | 152.5 | 137.4 | -10 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 332 | R | 40.7 | Very low | 36.5 | Very low | 239 Ų | 239 | 131.3 Ų | 131.3 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | | | trans | 69.8 | 142.2 | -177 | -41.6 | 159.1 | -168.3 | -110.6 | 1.8 | 111 | | |
| 333 | K | 38.6 | Very low | 35.6 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | | | cis | -163.1 | 147.4 | 3.5 | 49.8 | -116.5 | 171 | 178 | 0 | 108.7 | | |
| 334 | M | 43.6 | Very low | 35.6 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 86% | 0.862 | 73% | 0.729 | S | S | * | * | | | trans | -146.5 | 115.2 | 155.7 | -73.4 | -60.1 | -83.8 | 0 | 0 | 109.2 | | |
| 335 | P | 38 | Very low | 35.8 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | | | trans | -68.7 | 142.7 | 148.2 | 34.4 | -32.8 | 0 | 0 | 0 | 107.7 | | |
| 336 | V | 32.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | | | | 63.8 | 109.3 | 54.6 | -177 | 0 | 0 | 0 | 0 | 111.7 | | |
| 337 | G | 35.6 | Very low | 36.4 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | 160.6 | 92.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 338 | M | 39.8 | Very low | 36.3 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | trans | 26.6 | 122.6 | 156 | -82.4 | 60.4 | 177.9 | 0 | 0 | 119.6 | | |
| 339 | E | 36.6 | Very low | 36.2 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | 59 | 135.6 | 60 | -145.3 | -92.2 | 158.6 | 0 | 0 | 113.2 | | |
| 340 | P | 39.9 | Very low | 36 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | | | cis | -127.2 | -164.1 | -30.3 | 40.5 | -25.6 | 0 | 0 | 0 | 112.2 | | |
| 341 | G | 35 | Very low | 36.2 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 151.6 | 36.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 342 | V | 30.1 | Very low | 35.5 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -91.8 | 122.4 | 177.6 | -72.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 343 | N | 28.5 | Very low | 35 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -148.6 | 80.5 | 160.5 | -159.4 | -5.8 | 0 | 0 | 0 | 111.5 | | |
| 344 | A | 32.5 | Very low | 34.5 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | -149.5 | 120.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 345 | R | 32.3 | Very low | 33.6 | Very low | 252 Ų | 252 | 134.9 Ų | 134.9 | 95% | 0.951 | 75% | 0.746 | S | S | * | * | | | trans | -87.7 | 119.1 | 168.6 | -81.3 | -177.1 | 165.5 | -173.4 | -4.7 | 109.6 | | |
| 346 | H | 31.3 | Very low | 33.1 | Very low | 173 Ų | 173 | 133 Ų | 133 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | | | trans | -73.2 | 172.6 | 163.5 | -84.6 | -83.8 | 0 | 0 | 0 | 111 | | |
| 347 | P | 45.8 | Very low | 33.2 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | | | cis | -119.1 | -165.3 | 5.8 | 38.2 | -18.9 | 0 | 0 | 0 | 112.2 | | |
| 348 | L | 31.5 | Very low | 32.8 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | cis | -163.7 | 154.5 | 26.1 | -164.8 | 92.8 | 0 | 0 | 0 | 112.5 | | |
| 349 | M | 32.9 | Very low | 32.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | | | trans | 74.5 | 144.6 | 162.9 | -77 | -57.4 | 101.3 | 0 | 0 | 122.5 | | |
| 350 | Q | 31.7 | Very low | 31.8 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | -98.6 | -171.1 | 169.2 | -57 | 172.3 | -10.5 | 0 | 0 | 108.1 | | |
| 351 | P | 40.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | | | cis | -131.7 | 154.7 | -0.6 | 49 | -33.5 | 0 | 0 | 0 | 113.3 | | |
| 352 | Q | 27.2 | Very low | 30.9 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | | | | 71.4 | 129.8 | 92.7 | -164.1 | 177 | -51.1 | 0 | 0 | 117.5 | | |
| 353 | Q | 31.4 | Very low | 30.9 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | | | trans | 67.5 | 160.7 | 154.6 | -81.9 | 173.2 | -28 | 0 | 0 | 119.5 | | |
| 354 | Q | 26.9 | Very low | 30.9 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 62% | 0.621 | 74% | 0.744 | S | S | * | * | | | cis | -165.1 | 168.7 | -34.7 | -124.7 | 175.6 | -5.1 | 0 | 0 | 110 | | |
| 355 | T | 25.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | trans | 19.4 | 111.5 | 142.9 | -47.4 | 0 | 0 | 0 | 0 | 119.2 | L357 | T355-L357 HydrophobicContact CG2-CD2 4.41Å; T355-L357 HydrophobicContact CG2-CG 4.15Å |
| 356 | G | 28.2 | Very low | 32.3 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | | | trans | -117 | -17.4 | -178 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 357 | L | 34 | Very low | 32.3 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | 50.6 | 96 | 172.5 | -60.3 | 175.5 | 0 | 0 | 0 | 118.8 | T355 A359 | T355-L357 HydrophobicContact CG2-CD2 4.41Å; T355-L357 HydrophobicContact CG2-CG 4.15Å; L357-A359 PolarHBondContact O-N 3.49Å |
| 358 | I | 28.1 | Very low | 31.8 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | | | trans | -78 | 99.1 | 145.7 | -50 | 175.3 | 0 | 0 | 0 | 107.2 | | |
| 359 | A | 27.9 | Very low | 32.1 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | -82.8 | 123.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L357 | L357-A359 PolarHBondContact O-N 3.49Š|
| 360 | R | 26.6 | Very low | 31.9 | Very low | 223 Ų | 223 | 136.1 Ų | 136.1 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | | | trans | -163.8 | 131.9 | 144.8 | -113.4 | -176.1 | 174.9 | -139.9 | -5.4 | 114.9 | | |
| 361 | Q | 29.7 | Very low | 32.4 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | trans | 72.4 | 87.2 | 152.1 | -56 | -63.8 | -49.2 | 0 | 0 | 120.2 | | |
| 362 | N | 26.9 | Very low | 32.2 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | | | | 53.7 | 115 | 114.8 | -56.1 | -23 | 0 | 0 | 0 | 121.3 | | |
| 363 | S | 29.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | | -177.2 | 161 | 104 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 364 | C | 28.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | trans | -129.8 | -167.5 | -168.2 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 365 | P | 50.1 | Low | 32 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | | -115.3 | -162.8 | -66.6 | 41.7 | -27 | 0 | 0 | 0 | 110.1 | | |
| 366 | P | 44.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 135 Ų | 135 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | | -149 | 176.2 | 70.7 | 38.9 | -18.3 | 0 | 0 | 0 | 115.7 | | |
| 367 | G | 31.4 | Very low | 32.7 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 150.4 | 85.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 368 | L | 34.8 | Very low | 32.6 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -92.8 | 150.8 | 170 | -97.8 | 163.5 | 0 | 0 | 0 | 110.3 | | |
| 369 | P | 38.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | | -140.2 | -163.5 | 77.1 | 36.9 | -17.8 | 0 | 0 | 0 | 116.1 | | |
| 370 | R | 28.6 | Very low | 33 | Very low | 233 Ų | 233 | 137.1 Ų | 137.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -110.9 | -175.6 | -159.9 | -114.9 | -165 | 133.4 | 104.1 | -8.9 | 113.2 | | |
| 371 | P | 41.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | trans | -109.5 | -175.9 | -156.3 | 44.7 | -40.2 | 0 | 0 | 0 | 115.3 | | |
| 372 | P | 36.6 | Very low | 33.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | | -122.9 | 134.1 | 127.3 | 34.3 | -25.2 | 0 | 0 | 0 | 110.9 | | |
| 373 | Q | 26 | Very low | 33.6 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | | 82.8 | 139.7 | 73.5 | -167.8 | 177.8 | -20.8 | 0 | 0 | 113.4 | | |
| 374 | A | 27.8 | Very low | 33.9 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | -102.9 | 163 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 375 | E | 27.8 | Very low | 34.3 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | | -170 | 160.1 | 126.4 | -91.1 | -122.9 | 89.7 | 0 | 0 | 111 | | |
| 376 | P | 40.1 | Very low | 33.5 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -91.1 | 159.3 | 176.8 | 36.8 | -33.4 | 0 | 0 | 0 | 112.9 | | |
| 377 | G | 28.8 | Very low | 33.1 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | -155.3 | 138.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 378 | N | 32.5 | Very low | 33.4 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -127 | 142.3 | -176.3 | -169.9 | 14.4 | 0 | 0 | 0 | 109 | | |
| 379 | T | 29.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | -162.1 | 140.9 | 165.5 | 7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 380 | N | 33.2 | Very low | 33.8 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -110.5 | 162.1 | 168 | -86 | -79.2 | 0 | 0 | 0 | 110.5 | | |
| 381 | S | 28.8 | Very low | 34.6 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -160.6 | 125.6 | 161.5 | -76.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 382 | N | 29.4 | Very low | 34.1 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | | 74.7 | 143.1 | 64.1 | -82.3 | -2.9 | 0 | 0 | 0 | 114.4 | | |
| 383 | I | 37.6 | Very low | 33.8 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | cis | -169.1 | -168.8 | -20.3 | -156.6 | 166.4 | 0 | 0 | 0 | 108.1 | | |
| 384 | L | 36.2 | Very low | 34.2 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | 80.5 | 147.4 | 175.1 | -49.6 | -177.3 | 0 | 0 | 0 | 116.7 | | |
| 385 | D | 35.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -142.7 | 178.8 | 2 | -144.6 | -77.2 | 0 | 0 | 0 | 112.4 | | |
| 386 | G | 34.6 | Very low | 34.7 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | trans | -92.6 | -170.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 387 | G | 36.2 | Very low | 34.5 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | cis | 171.8 | -164.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 388 | V | 36.8 | Very low | 34.6 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | | | trans | 80.8 | 134.9 | 170.2 | -174 | 0 | 0 | 0 | 0 | 118 | | |
| 389 | M | 38.2 | Very low | 34.7 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | cis | -166.3 | 161.7 | -30.9 | -94.9 | -150.8 | -71.2 | 0 | 0 | 110 | | |
| 390 | M | 42.7 | Very low | 36.3 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | | | trans | 76 | 153.1 | 164.8 | -46.9 | -51.9 | -81.9 | 0 | 0 | 119.1 | | |
| 391 | P | 45.5 | Very low | 36.2 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | | | cis | -131.7 | 166.7 | -48.1 | 37.7 | -23.6 | 0 | 0 | 0 | 112.3 | | |
| 392 | G | 31.3 | Very low | 36.7 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | | | cis | 169 | 177.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 393 | Q | 30.8 | Very low | 37.1 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | | | trans | 71.4 | 140 | 179.2 | -41.9 | -59.9 | 5.8 | 0 | 0 | 115.9 | | |
| 394 | H | 35.3 | Very low | 37.2 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | cis | -161.5 | 128.8 | -14.5 | -154.8 | -101.9 | 0 | 0 | 0 | 107.6 | | |
| 395 | N | 31 | Very low | 37.1 | Very low | 121 Ų | 121 | 139 Ų | 139 | 65% | 0.647 | 73% | 0.732 | S | S | * | * | | | | 56.1 | 126 | 83.4 | -102.3 | 14.7 | 0 | 0 | 0 | 115.6 | | |
| 396 | Q | 34.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 54% | 0.542 | 73% | 0.731 | S | S | . | * | | | cis | -155.8 | -170.4 | 9.4 | -80.6 | -176.2 | -125.3 | 0 | 0 | 112.4 | E398 | Q396-E398 PolarHBondContact NE2-OE1 3.43Š|
| 397 | F | 36.3 | Very low | 36.9 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | 102.7 | 150.8 | 147.8 | -49.4 | -59.7 | 0 | 0 | 0 | 121.2 | | |
| 398 | E | 30.3 | Very low | 36.6 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 59% | 0.589 | 74% | 0.737 | S | S | * | * | | | | -168.5 | 134.3 | -52 | -126.3 | 69.2 | 100.5 | 0 | 0 | 114.4 | Q396 | Q396-E398 PolarHBondContact NE2-OE1 3.43Š|
| 399 | Y | 34.7 | Very low | 36.6 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | | | trans | 64.3 | 167.2 | 150.1 | -79.5 | -40.9 | 0 | 0 | 0 | 125.4 | | |
| 400 | P | 62.4 | Low | 36.7 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | trans | -130.7 | -155 | -150.4 | 46 | -27 | 0 | 0 | 0 | 114.6 | | |
| 401 | I | 32.5 | Very low | 36.9 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | | | trans | -171.5 | 160.6 | 142.9 | -98.6 | -76.5 | 0 | 0 | 0 | 113.2 | | |
| 402 | H | 39.2 | Very low | 36.1 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -97.2 | -175.2 | -168.1 | -71.6 | -115.1 | 0 | 0 | 0 | 117 | | |
| 403 | R | 36.5 | Very low | 36.3 | Very low | 212 Ų | 212 | 153.5 Ų | 153.5 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | 94.5 | 150.1 | 142.6 | -80 | -164.6 | 164.2 | 75.9 | -0.1 | 118.3 | | |
| 404 | L | 40.3 | Very low | 36.2 | Very low | 121 Ų | 121 | 152 Ų | 152 | 63% | 0.634 | 75% | 0.752 | S | S | * | * | | | cis | -168.1 | 168.2 | -19.8 | -165.6 | 60.5 | 0 | 0 | 0 | 110.7 | | |
| 405 | E | 33 | Very low | 37 | Very low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | 83.4 | 165.5 | 139.5 | -118.9 | 155.8 | -168.4 | 0 | 0 | 122.2 | | |
| 406 | N | 32.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | | -161 | 163 | -75.7 | -154.3 | -26.1 | 0 | 0 | 0 | 111 | | |
| 407 | R | 34.7 | Very low | 37 | Very low | 240 Ų | 240 | 154.4 Ų | 154.4 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | 65.9 | 154.2 | 167.4 | -59.4 | 174.6 | 172.7 | 174.8 | -3.6 | 117.3 | | |
| 408 | G | 29.8 | Very low | 36.7 | Very low | 65 Ų | 65 | 152.7 Ų | 152.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | cis | 164.7 | -174.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 409 | L | 35.4 | Very low | 37.1 | Very low | 176 Ų | 176 | 153.7 Ų | 153.7 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | 86.3 | 119.1 | 166.6 | -53.7 | 173.1 | 0 | 0 | 0 | 120.6 | | |
| 410 | H | 41.3 | Very low | 37.1 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | trans | -108.5 | -171.3 | 144.4 | -65.2 | -74.4 | 0 | 0 | 0 | 106.8 | | |
| 411 | P | 47.1 | Very low | 35.7 | Very low | 108 Ų | 108 | 155 Ų | 155 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -144.9 | -169.3 | 7.9 | 31.9 | -4.6 | 0 | 0 | 0 | 117.3 | | |
| 412 | Y | 28.2 | Very low | 36.2 | Very low | 235 Ų | 235 | 153.1 Ų | 153.1 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | | | trans | 71.9 | 139.9 | 160 | -82.6 | -75.7 | 0 | 0 | 0 | 122.2 | | |
| 413 | G | 35.5 | Very low | 35.9 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | 153.8 | 95.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 414 | D | 29.3 | Very low | 36.2 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -148 | 133 | 175.3 | -178.7 | 16.1 | 0 | 0 | 0 | 109 | | |
| 415 | P | 51 | Low | 36.2 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | | -149.8 | 139.9 | 120.3 | 36.2 | -19.1 | 0 | 0 | 0 | 117 | | |
| 416 | M | 33.9 | Very low | 36.7 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | 36.6 | 120.4 | 139 | -51.9 | -166.8 | -59.2 | 0 | 0 | 120.7 | | |
| 417 | F | 32.7 | Very low | 36.7 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | | 179.4 | 129.3 | 96.1 | -109.5 | -79.7 | 0 | 0 | 0 | 115.2 | | |
| 418 | N | 29.3 | Very low | 36.8 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 81 | 153.7 | 138.3 | -130.7 | 2.3 | 0 | 0 | 0 | 126.1 | | |
| 419 | M | 38.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | trans | 75.7 | 61.4 | 146.9 | -120.3 | 64.7 | 178.1 | 0 | 0 | 121.8 | | |
| 420 | Q | 35.2 | Very low | 37.1 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | | 29 | 103.7 | 114.9 | -163.6 | 77.6 | 63.6 | 0 | 0 | 118.1 | | |
| 421 | Q | 32.9 | Very low | 37 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -84.4 | 133.8 | 160.4 | -77.6 | -173.3 | -16.1 | 0 | 0 | 111.7 | | |
| 422 | P | 43.2 | Very low | 36.2 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -95 | 175.6 | 166.8 | 36.8 | -33.2 | 0 | 0 | 0 | 113.1 | | |
| 423 | A | 34.1 | Very low | 36.4 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -88.1 | 173 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 424 | P | 42.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -94.3 | 156.7 | -160.6 | 37 | -36.4 | 0 | 0 | 0 | 115.8 | | |
| 425 | P | 40.7 | Very low | 36.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -128.1 | -169.5 | 151.6 | 43.9 | -30.7 | 0 | 0 | 0 | 110.6 | | |
| 426 | P | 42.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | | -123.2 | 175.4 | -86.2 | 36.5 | -19.9 | 0 | 0 | 0 | 113.7 | | |
| 427 | S | 33.7 | Very low | 35.7 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 133.1 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 428 | Q | 36.2 | Very low | 35.5 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -120.9 | 146.3 | 166.2 | -70.9 | -154.7 | 60.4 | 0 | 0 | 112 | | |
| 429 | Q | 32.7 | Very low | 35.5 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -91 | 150.6 | 167.1 | -66.8 | -179.7 | -39.4 | 0 | 0 | 109.8 | P431 | Q429-P431 WeakPolarHBondContact O-CD 3.49Š|
| 430 | P | 38.8 | Very low | 35 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -76.8 | 122.7 | 174.5 | 30 | -32.6 | 0 | 0 | 0 | 111.6 | | |
| 431 | P | 38.9 | Very low | 35.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -74.5 | 175.7 | 163.2 | 34.2 | -34.8 | 0 | 0 | 0 | 110.6 | Q429 | Q429-P431 WeakPolarHBondContact O-CD 3.49Š|
| 432 | N | 29.8 | Very low | 35.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -134.2 | 159.2 | -167.2 | -150.9 | -26.3 | 0 | 0 | 0 | 111.5 | | |
| 433 | Q | 33.3 | Very low | 35.2 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | 89 | 130.8 | 163.1 | -53.3 | -99.5 | 64.1 | 0 | 0 | 121.2 | | |
| 434 | R | 31.9 | Very low | 35 | Very low | 216 Ų | 216 | 146.1 Ų | 146.1 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | 98.3 | 157.5 | 132.8 | -136.4 | -175.8 | -170.6 | 159 | 5.7 | 121 | | |
| 435 | L | 33.4 | Very low | 34.5 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | 90.4 | 124.4 | 174.5 | -76.8 | 49.8 | 0 | 0 | 0 | 115.7 | | |
| 436 | Q | 36.4 | Very low | 34.2 | Very low | 138 Ų | 138 | 147 Ų | 147 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | cis | -148.5 | 154.8 | -22.9 | -73 | -64.2 | 43.6 | 0 | 0 | 109.2 | | |
| 437 | H | 33.8 | Very low | 33.6 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -87.8 | 139.4 | 144.2 | -93.5 | -102.3 | 0 | 0 | 0 | 108.2 | | |
| 438 | F | 28.5 | Very low | 33.6 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | | | trans | -86.3 | 127.7 | 164.9 | -104.7 | -93.1 | 0 | 0 | 0 | 109.8 | | |
| 439 | D | 29 | Very low | 34.1 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | trans | 21.3 | 140.9 | 135.3 | -77 | -71 | 0 | 0 | 0 | 120.5 | | |
| 440 | S | 27.1 | Very low | 33.9 | Very low | 95 Ų | 95 | 155.4 Ų | 155.4 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | cis | 178.6 | -171.7 | 1.7 | -127.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 441 | P | 51.5 | Low | 33.5 | Very low | 100 Ų | 100 | 157.2 Ų | 157.2 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | -141.7 | -168.7 | -12 | 42 | -22.9 | 0 | 0 | 0 | 116.4 | | |
| 442 | Y | 26.7 | Very low | 33.2 | Very low | 201 Ų | 201 | 157.9 Ų | 157.9 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | trans | 71.9 | 104.5 | 153.3 | -82.9 | -84.9 | 0 | 0 | 0 | 123.4 | | |
| 443 | M | 36.7 | Very low | 33.2 | Very low | 149 Ų | 149 | 159 Ų | 159 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | 70.2 | 96.6 | 135.7 | -60.2 | -64.3 | 177.9 | 0 | 0 | 124.3 | | |
| 444 | N | 31.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 155.9 Ų | 155.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | | 23.2 | 110.1 | 105.3 | -169.3 | 17.7 | 0 | 0 | 0 | 120 | | |
| 445 | M | 32 | Very low | 33.2 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | | | | -172.7 | 168 | 117.9 | -132.2 | 68.9 | -171.8 | 0 | 0 | 111.2 | | |
| 446 | A | 33.9 | Very low | 32.9 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | | | trans | -110.5 | 138.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 447 | K | 30.3 | Very low | 32.7 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | | | trans | -176.8 | 161.8 | 142.5 | -104.3 | 158.8 | -174.2 | 176.8 | 0 | 114.6 | | |
| 448 | R | 33.4 | Very low | 32.5 | Very low | 236 Ų | 236 | 148.5 Ų | 148.5 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -66.8 | 178.9 | 167 | -60.4 | 172.3 | 165.5 | 164.1 | -8 | 111.1 | | |
| 449 | P | 46.2 | Very low | 32.4 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | cis | -146.8 | -164 | 13.2 | 45.5 | -25.3 | 0 | 0 | 0 | 117.3 | | |
| 450 | R | 28.4 | Very low | 32.5 | Very low | 204 Ų | 204 | 145 Ų | 145 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 76 | 155.3 | 159.6 | -87.7 | 171.9 | 145.4 | 131.6 | -1.9 | 117.5 | | |
| 451 | F | 30.6 | Very low | 32.5 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | -128.8 | 177.1 | 4.7 | -119.3 | -72.7 | 0 | 0 | 0 | 112 | | |
| 452 | D | 32.6 | Very low | 31.3 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -140.4 | -176.7 | -171.3 | -152.7 | -36.8 | 0 | 0 | 0 | 110.1 | | |
| 453 | F | 30.5 | Very low | 31.3 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | 90.8 | 155.6 | 173.3 | -59.4 | -59.2 | 0 | 0 | 0 | 118.6 | | |
| 454 | P | 40.7 | Very low | 30.8 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | cis | -142.2 | -174.4 | -32.8 | 38.1 | -20.3 | 0 | 0 | 0 | 115.2 | | |
| 455 | N | 24.2 | Very low | 31 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | 70.4 | 118.7 | 163.2 | -91.9 | 5.1 | 0 | 0 | 0 | 117.9 | | |
| 456 | S | 26.1 | Very low | 30.9 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | | 86.1 | 103.6 | 52.4 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 457 | H | 33.1 | Very low | 30.8 | Very low | 205 Ų | 205 | 144.6 Ų | 144.6 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | | | | -157.9 | 107.4 | 124.5 | -100.1 | -65.6 | 0 | 0 | 0 | 109.1 | | |
| 458 | G | 29.5 | Very low | 30.8 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | | | trans | -118.9 | 131.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 459 | G | 26.9 | Very low | 30.9 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | -167.8 | 137.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 460 | D | 31 | Very low | 30 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | | | cis | -132.3 | -170.7 | 3.5 | -36 | -58.8 | 0 | 0 | 0 | 108.1 | | |
| 461 | G | 27.6 | Very low | 30.3 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | cis | 179.1 | 35.6 | 13.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 462 | W | 25.8 | Very low | 30.7 | Very low | 245 Ų | 245 | 132.8 Ų | 132.8 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | | | trans | 75.9 | 159.7 | 162.2 | -69.2 | 33.8 | 0 | 0 | 0 | 120.2 | | |
| 463 | C | 26.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 132 Ų | 132 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | 64.1 | 129.4 | 162.2 | -66.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 464 | G | 25.6 | Very low | 30.7 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -179.7 | 166.5 | -6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M466 | G464-M466 PolarHBondContact O-N 3.33Š|
| 465 | S | 35.5 | Very low | 30.2 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -77.1 | 109.6 | 164.4 | -167 | 0 | 0 | 0 | 0 | 108.2 | | |
| 466 | M | 30.8 | Very low | 31.3 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -135.6 | 112.2 | 156.6 | -95.4 | -163.5 | 163 | 0 | 0 | 110.8 | G464 | G464-M466 PolarHBondContact O-N 3.33Š|
| 467 | D | 30.8 | Very low | 31.5 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | | | trans | -58.3 | 137.6 | 171.3 | -53.7 | -110.7 | 0 | 0 | 0 | 112 | | |
| 468 | N | 30.8 | Very low | 32 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | | | trans | 68 | 136.7 | 132.4 | -83.9 | -49 | 0 | 0 | 0 | 122.8 | | |
| 469 | H | 35.7 | Very low | 33 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 65.5 | 124.1 | 154.1 | -37.8 | -39.4 | 0 | 0 | 0 | 119.6 | | |
| 470 | L | 27.4 | Very low | 33.3 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | | | trans | -133.4 | 103 | 143.3 | -81.3 | -179.3 | 0 | 0 | 0 | 110.2 | | |
| 471 | S | 34.6 | Very low | 33.5 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -83.9 | 166.8 | 160.7 | -47.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 472 | P | 39.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -101.9 | 105.2 | 159.2 | 33.7 | -26.4 | 0 | 0 | 0 | 112.3 | | |
| 473 | S | 32.5 | Very low | 34.1 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | 69.2 | 153.4 | 152.1 | -53.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 474 | A | 30.1 | Very low | 35.7 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | cis | -148.9 | 141.8 | 6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 475 | Y | 29.6 | Very low | 36.8 | Very low | 230 Ų | 230 | 134 Ų | 134 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | 71.9 | 156.9 | 146.9 | -88.3 | -112.9 | 0 | 0 | 0 | 122 | | |
| 476 | P | 46.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -130.3 | 179 | -147.9 | 44.9 | -30.8 | 0 | 0 | 0 | 117.8 | | |
| 477 | G | 31.6 | Very low | 36.7 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -158.4 | 157.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 478 | L | 42.9 | Very low | 36.7 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -119.5 | -153.6 | -164.8 | -64 | 173.4 | 0 | 0 | 0 | 113.9 | | |
| 479 | P | 50.4 | Low | 36.6 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | | -130.3 | -162.4 | -93 | 43.6 | -26.8 | 0 | 0 | 0 | 115.2 | | |
| 480 | G | 34.2 | Very low | 36.2 | Very low | 57 Ų | 57 | 133.3 Ų | 133.3 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | | | trans | 131.9 | 113 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 481 | E | 33.5 | Very low | 36.4 | Very low | 190 Ų | 190 | 128.8 Ų | 128.8 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | cis | 93.9 | 104.8 | 40.2 | -71.6 | -170 | 131.5 | 0 | 0 | 114.9 | | |
| 482 | F | 30.1 | Very low | 36.8 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | | -174.8 | 156.5 | 115.7 | -141.4 | -103.3 | 0 | 0 | 0 | 112.2 | | |
| 483 | T | 35.9 | Very low | 36.2 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -147.5 | -160.8 | 179.3 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 484 | P | 60.8 | Low | 36.3 | Very low | 103 Ų | 103 | 128 Ų | 128 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | | -102.1 | -159.4 | -93.4 | 36.7 | -19.6 | 0 | 0 | 0 | 112.9 | | |
| 485 | P | 48.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | | -140.5 | -167.2 | 94.4 | 38.4 | -22.7 | 0 | 0 | 0 | 114.5 | | |
| 486 | V | 35.5 | Very low | 37 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -130.2 | 159.8 | -156.7 | -82.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 487 | N | 28.9 | Very low | 36.3 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | | 174.1 | 167.5 | 123.1 | -98.6 | 40 | 0 | 0 | 0 | 111.1 | | |
| 488 | E | 31.5 | Very low | 36.6 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | 176.7 | 127.2 | -40.1 | -173.7 | 164.4 | -144 | 0 | 0 | 107.4 | | |
| 489 | G | 28 | Very low | 36.5 | Very low | 62 Ų | 62 | 130.5 Ų | 130.5 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | | | trans | 158.2 | 155 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 490 | F | 27.9 | Very low | 36.2 | Very low | 204 Ų | 204 | 130.8 Ų | 130.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -146.3 | 157.8 | -160.6 | -69.9 | -66.6 | 0 | 0 | 0 | 113.9 | | |
| 491 | A | 31.4 | Very low | 36.7 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | cis | -148.6 | -84.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 492 | P | 42.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | | -122.4 | 129.7 | -127.9 | 34.4 | -19.3 | 0 | 0 | 0 | 119.5 | | |
| 493 | G | 27.8 | Very low | 38.7 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | 81.9 | 169.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 494 | P | 35.5 | Very low | 40 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | | | cis | -114.3 | 165.5 | -9.2 | 40.1 | -29.1 | 0 | 0 | 0 | 113.7 | | |
| 495 | L | 36.1 | Very low | 40.4 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | trans | -87.6 | 136.1 | 170.4 | -76.7 | 168.7 | 0 | 0 | 0 | 111.9 | | |
| 496 | Q | 36.8 | Very low | 41.6 | Very low | 187 Ų | 187 | 123.7 Ų | 123.7 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | | | trans | -143.1 | 144 | 153.6 | -76.5 | -152.8 | 51.1 | 0 | 0 | 109.9 | | |
| 497 | H | 33.3 | Very low | 43.5 | Very low | 177 Ų | 177 | 125.1 Ų | 125.1 | 82% | 0.819 | 72% | 0.724 | S | S | * | * | | | trans | -88.4 | 136.9 | -175.4 | -65.7 | -100.7 | 0 | 0 | 0 | 112.1 | | |
| 498 | P | 38 | Very low | 45.7 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | | | trans | -67.9 | 146.1 | 163 | -18 | 32.4 | 0 | 0 | 0 | 112 | | |
| 499 | G | 40.9 | Very low | 47.9 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | | | trans | -81.5 | -177.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 500 | P | 43.3 | Very low | 50.4 | Low | 131 Ų | 131 | 126.4 Ų | 126.4 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | | | trans | -67.9 | 148.6 | -175.3 | 28 | -35.4 | 0 | 0 | 0 | 114 | | |
| 501 | E | 45.3 | Very low | 52.8 | Low | 111 Ų | 111 | 118.7 Ų | 118.7 | 52% | 0.519 | 68% | 0.677 | S | S | . | * | | | trans | -72.4 | 143.2 | -169.4 | -120.1 | -130.2 | 92.7 | 0 | 0 | 114.8 | Q503 S504 | E501-Q503 VanDerWaalsContact C-N 3.3Å; E501-Q503 VanDerWaalsContact CD-NE2 3.29Å; E501-Q503 PolarHBondContact O-N 3.39Å; E501-Q503 WeakPolarHBondContact OE1-CG 3.28Å; E501-Q503 PolarHBondContact OE1-NE2 3.21Å; E501-Q503 PolarHBondContact OE2-NE2 3.29Å; E501-S504 PolarHBondContact O-N 3.39Å; E501-S504 PolarHBondContact O-OG 3.01Å |
| 502 | P | 52.9 | Low | 55.2 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -22.2 | -177 | 28.3 | -35.5 | 0 | 0 | 0 | 114.3 | S504 L505 Q506 | P502-S504 PolarHBondContact O-N 3.19Å; P502-L505 PolarHBondContact O-N 3.48Å; P502-L505 VanDerWaalsContact O-N 3.13Å; P502-Q506 PolarHBondContact O-N 3.45Å |
| 503 | Q | 52.4 | Low | 57.2 | Low | 132 Ų | 132 | 116.8 Ų | 116.8 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56.3 | -37.4 | 178.7 | -71.1 | -178.4 | 59.2 | 0 | 0 | 112.8 | E501 L505 Q506 Q507 | E501-Q503 VanDerWaalsContact C-N 3.3Å; E501-Q503 VanDerWaalsContact CD-NE2 3.29Å; E501-Q503 PolarHBondContact O-N 3.39Å; E501-Q503 WeakPolarHBondContact OE1-CG 3.28Å; E501-Q503 PolarHBondContact OE1-NE2 3.21Å; E501-Q503 PolarHBondContact OE2-NE2 3.29Å; Q503-L505 VanDerWaalsContact C-N 3.27Å; Q503-L505 PolarHBondContact O-N 3.47Å; Q503-Q506 PolarHBondContact O-N 2.85Å; Q503-Q507 PolarHBondContact O-N 3.29Å; Q503-Q507 VanDerWaalsContact O-N 3.09Å |
| 504 | S | 62.8 | Low | 59.9 | Low | 76 Ų | 76 | 118.6 Ų | 118.6 | 53% | 0.531 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -59.6 | -35.4 | 179.2 | 66 | 0 | 0 | 0 | 0 | 113.1 | E501 P502 R508 | E501-S504 PolarHBondContact O-N 3.39Å; E501-S504 PolarHBondContact O-OG 3.01Å; P502-S504 PolarHBondContact O-N 3.19Å; S504-R508 PolarHBondContact O-N 3.31Å |
| 505 | L | 70 | Confident | 62.1 | Low | 113 Ų | 113 | 117.8 Ų | 117.8 | 59% | 0.592 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.2 | -38.7 | 179.5 | -162.2 | 72.8 | 0 | 0 | 0 | 111.3 | P502 Q503 R508 Q509 | P502-L505 PolarHBondContact O-N 3.48Å; P502-L505 VanDerWaalsContact O-N 3.13Å; Q503-L505 VanDerWaalsContact C-N 3.27Å; Q503-L505 PolarHBondContact O-N 3.47Å; L505-R508 PolarHBondContact O-N 2.8Å; L505-Q509 PolarHBondContact O-N 3.4Å |
| 506 | Q | 73.7 | Confident | 64 | Low | 112 Ų | 112 | 117.7 Ų | 117.7 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.7 | -41.6 | 178.2 | -162.6 | 65.9 | 54.7 | 0 | 0 | 111.7 | P502 Q503 Q509 N510 | P502-Q506 PolarHBondContact O-N 3.45Å; Q503-Q506 PolarHBondContact O-N 2.85Å; Q506-Q509 PolarHBondContact O-N 3.33Å; Q506-N510 PolarHBondContact O-N 2.8Å |
| 507 | Q | 75.5 | Confident | 65.8 | Low | 151 Ų | 151 | 115.8 Ų | 115.8 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -39.4 | 176 | -163 | 175.2 | 20.8 | 0 | 0 | 111.6 | Q503 Q509 N510 A511 | Q503-Q507 PolarHBondContact O-N 3.29Å; Q503-Q507 VanDerWaalsContact O-N 3.09Å; Q507-Q509 VanDerWaalsContact C-N 3.35Å; Q507-Q509 PolarHBondContact O-N 2.88Å; Q507-N510 PolarHBondContact O-N 3.39Å; Q507-A511 PolarHBondContact O-N 3Å |
| 508 | R | 73.9 | Confident | 67.7 | Low | 195 Ų | 195 | 113.5 Ų | 113.5 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.1 | -38.2 | 173 | -177.4 | 173.9 | -75.3 | -135.5 | -1.9 | 112.4 | S504 L505 A512 | S504-R508 PolarHBondContact O-N 3.31Å; L505-R508 PolarHBondContact O-N 2.8Å; R508-A512 WeakPolarHBondContact O-CB 3.22Å; R508-A512 PolarHBondContact O-N 3.23Å |
| 509 | Q | 77.6 | Confident | 69.2 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -41.1 | 174.2 | -76.7 | -169.7 | -3 | 0 | 0 | 112.9 | L505 Q506 Q507 A512 M513 | L505-Q509 PolarHBondContact O-N 3.4Å; Q506-Q509 PolarHBondContact O-N 3.33Å; Q507-Q509 VanDerWaalsContact C-N 3.35Å; Q507-Q509 PolarHBondContact O-N 2.88Å; Q509-A512 PolarHBondContact O-N 3.39Å; Q509-M513 PolarHBondContact O-N 3.37Å |
| 510 | N | 80.9 | Confident | 70.8 | Confident | 83 Ų | 83 | 109.5 Ų | 109.5 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -43.4 | 175.6 | -90.4 | -35.5 | 0 | 0 | 0 | 112.2 | Q506 Q507 A512 M513 M514 | Q506-N510 PolarHBondContact O-N 2.8Å; Q507-N510 PolarHBondContact O-N 3.39Å; N510-A512 VanDerWaalsContact C-N 3.35Å; N510-A512 PolarHBondContact O-N 2.84Å; N510-M513 PolarHBondContact O-N 3.08Å; N510-M514 PolarHBondContact O-N 2.95Å; N510-M514 VanDerWaalsContact O-N 3.09Å |
| 511 | A | 78.6 | Confident | 71.7 | Confident | 42 Ų | 42 | 112 Ų | 112 | 35% | 0.347 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -44.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q507 M513 M514 I515 | Q507-A511 PolarHBondContact O-N 3Å; A511-M513 VanDerWaalsContact C-N 3.32Å; A511-M513 PolarHBondContact O-N 3.43Å; A511-M514 PolarHBondContact O-N 3Å; A511-I515 VanDerWaalsContact O-CG1 3.3Å; A511-I515 WeakPolarHBondContact O-CG1 3.27Å; A511-I515 PolarHBondContact O-N 3.29Å |
| 512 | A | 82.2 | Confident | 72.6 | Confident | 55 Ų | 55 | 111.5 Ų | 111.5 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R508 Q509 N510 K516 | R508-A512 WeakPolarHBondContact O-CB 3.22Å; R508-A512 PolarHBondContact O-N 3.23Å; Q509-A512 PolarHBondContact O-N 3.39Å; N510-A512 VanDerWaalsContact C-N 3.35Å; N510-A512 PolarHBondContact O-N 2.84Å; A512-K516 VanDerWaalsContact O-CB 3.25Å; A512-K516 WeakPolarHBondContact O-CB 3.29Å; A512-K516 PolarHBondContact O-N 3.42Å |
| 513 | M | 83.9 | Confident | 73.2 | Confident | 115 Ų | 115 | 113.2 Ų | 113.2 | 57% | 0.567 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -46.1 | 173.7 | -96.4 | -167.2 | -71.6 | 0 | 0 | 112.6 | Q509 N510 A511 I515 K516 Q517 | Q509-M513 PolarHBondContact O-N 3.37Å; N510-M513 PolarHBondContact O-N 3.08Å; A511-M513 VanDerWaalsContact C-N 3.32Å; A511-M513 PolarHBondContact O-N 3.43Å; M513-I515 PolarHBondContact O-N 3.33Å; M513-K516 PolarHBondContact O-N 2.63Å; M513-Q517 PolarHBondContact O-N 3.37Å |
| 514 | M | 85 | Confident | 73.5 | Confident | 113 Ų | 113 | 113.3 Ų | 113.3 | 56% | 0.557 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.1 | -43.3 | 177.2 | -72.4 | -172.3 | -74.6 | 0 | 0 | 112.1 | N510 A511 K516 Q517 M518 | N510-M514 PolarHBondContact O-N 2.95Å; N510-M514 VanDerWaalsContact O-N 3.09Å; A511-M514 PolarHBondContact O-N 3Å; M514-K516 VanDerWaalsContact C-N 3.33Å; M514-K516 PolarHBondContact O-N 3.44Å; M514-Q517 PolarHBondContact O-N 2.71Å; M514-M518 PolarHBondContact O-N 2.94Å |
| 515 | I | 81 | Confident | 73.4 | Confident | 111 Ų | 111 | 116.2 Ų | 116.2 | 57% | 0.569 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.4 | -43.3 | 174.7 | -67.8 | 165.3 | 0 | 0 | 0 | 110.6 | A511 M513 Q517 M518 A519 | A511-I515 VanDerWaalsContact O-CG1 3.3Å; A511-I515 WeakPolarHBondContact O-CG1 3.27Å; A511-I515 PolarHBondContact O-N 3.29Å; M513-I515 PolarHBondContact O-N 3.33Å; I515-Q517 PolarHBondContact O-N 2.97Å; I515-M518 PolarHBondContact O-N 3.47Å; I515-A519 WeakPolarHBondContact O-CB 3.48Å; I515-A519 PolarHBondContact O-N 3.25Å |
| 516 | K | 75.4 | Confident | 72.6 | Confident | 164 Ų | 164 | 119.4 Ų | 119.4 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.5 | -34 | 178.3 | -166.4 | 173.2 | -176.6 | -179.6 | 0 | 112.7 | A512 M513 M514 S520 | A512-K516 VanDerWaalsContact O-CB 3.25Å; A512-K516 WeakPolarHBondContact O-CB 3.29Å; A512-K516 PolarHBondContact O-N 3.42Å; M513-K516 PolarHBondContact O-N 2.63Å; M514-K516 VanDerWaalsContact C-N 3.33Å; M514-K516 PolarHBondContact O-N 3.44Å; K516-S520 VanDerWaalsContact O-CB 3.3Å; K516-S520 WeakPolarHBondContact O-CB 3.33Å; K516-S520 PolarHBondContact O-N 2.79Å |
| 517 | Q | 74.9 | Confident | 71.3 | Confident | 147 Ų | 147 | 121.5 Ų | 121.5 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -48.1 | 172.3 | -108.1 | -178.5 | -10 | 0 | 0 | 112 | M513 M514 I515 S520 R521 | M513-Q517 PolarHBondContact O-N 3.37Å; M514-Q517 PolarHBondContact O-N 2.71Å; I515-Q517 PolarHBondContact O-N 2.97Å; Q517-S520 WeakPolarHBondContact O-CB 3.48Å; Q517-S520 PolarHBondContact O-N 2.98Å; Q517-R521 PolarHBondContact O-N 2.81Å; Q517-R521 VanDerWaalsContact O-N 3.09Å |
| 518 | M | 73.8 | Confident | 69.8 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 64% | 0.635 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -42.9 | 178 | -71.8 | -172 | -79.6 | 0 | 0 | 112.1 | M514 I515 S520 R521 N522 | M514-M518 PolarHBondContact O-N 2.94Å; I515-M518 PolarHBondContact O-N 3.47Å; M518-S520 PolarHBondContact O-N 2.93Å; M518-R521 PolarHBondContact O-N 3.35Å; M518-N522 PolarHBondContact O-N 2.86Å |
| 519 | A | 68.4 | Low | 67.9 | Low | 50 Ų | 50 | 123.1 Ų | 123.1 | 41% | 0.413 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I515 N522 Q523 | I515-A519 WeakPolarHBondContact O-CB 3.48Å; I515-A519 PolarHBondContact O-N 3.25Å; A519-N522 PolarHBondContact O-N 2.85Å; A519-Q523 PolarHBondContact O-N 2.96Å |
| 520 | S | 74.3 | Confident | 66.2 | Low | 60 Ų | 60 | 123.9 Ų | 123.9 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.4 | -47.6 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | K516 Q517 M518 N522 Q523 Q524 | K516-S520 VanDerWaalsContact O-CB 3.3Å; K516-S520 WeakPolarHBondContact O-CB 3.33Å; K516-S520 PolarHBondContact O-N 2.79Å; Q517-S520 WeakPolarHBondContact O-CB 3.48Å; Q517-S520 PolarHBondContact O-N 2.98Å; M518-S520 PolarHBondContact O-N 2.93Å; S520-N522 VanDerWaalsContact C-N 3.27Å; S520-N522 PolarHBondContact O-N 2.8Å; S520-Q523 PolarHBondContact O-N 3.28Å; S520-Q524 WeakPolarHBondContact O-CG 3.19Å; S520-Q524 PolarHBondContact O-N 2.87Å |
| 521 | R | 62.2 | Low | 63.7 | Low | 183 Ų | 183 | 124.9 Ų | 124.9 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.3 | -37.4 | 177.2 | -178.1 | 172.9 | 171.6 | 167.1 | -2.7 | 112.2 | Q517 M518 Q525 | Q517-R521 PolarHBondContact O-N 2.81Å; Q517-R521 VanDerWaalsContact O-N 3.09Å; M518-R521 PolarHBondContact O-N 3.35Å; R521-Q525 PolarHBondContact O-N 3.03Å |
| 522 | N | 64.1 | Low | 61.8 | Low | 100 Ų | 100 | 130.4 Ų | 130.4 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.5 | -40.4 | 177 | -162.9 | -93.7 | 0 | 0 | 0 | 112.5 | M518 A519 S520 Q524 Q525 R526 | M518-N522 PolarHBondContact O-N 2.86Å; A519-N522 PolarHBondContact O-N 2.85Å; S520-N522 VanDerWaalsContact C-N 3.27Å; S520-N522 PolarHBondContact O-N 2.8Å; N522-Q524 PolarHBondContact O-N 2.89Å; N522-Q525 PolarHBondContact O-N 3.37Å; N522-R526 PolarHBondContact O-N 2.89Å |
| 523 | Q | 65.8 | Low | 59.5 | Low | 136 Ų | 136 | 135 Ų | 135 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.7 | -36.1 | 174.5 | -72.1 | -165.9 | 12.9 | 0 | 0 | 112.9 | A519 S520 Q525 R526 M527 | A519-Q523 PolarHBondContact O-N 2.96Å; S520-Q523 PolarHBondContact O-N 3.28Å; Q523-Q525 VanDerWaalsContact C-N 3.3Å; Q523-Q525 PolarHBondContact O-N 3.21Å; Q523-R526 PolarHBondContact O-N 3.43Å; Q523-M527 WeakPolarHBondContact O-CB 3.27Å; Q523-M527 WeakPolarHBondContact O-CG 3.43Å; Q523-M527 PolarHBondContact O-N 3.13Å |
| 524 | Q | 59.9 | Low | 57.1 | Low | 135 Ų | 135 | 136.3 Ų | 136.3 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.7 | -36.9 | 174.5 | -74.7 | 177.8 | -18.2 | 0 | 0 | 112.4 | S520 N522 | S520-Q524 WeakPolarHBondContact O-CG 3.19Å; S520-Q524 PolarHBondContact O-N 2.87Å; N522-Q524 PolarHBondContact O-N 2.89Å |
| 525 | Q | 59.4 | Low | 54.6 | Low | 137 Ų | 137 | 139.7 Ų | 139.7 | 64% | 0.64 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69 | -41.3 | 172.1 | -71 | -177.3 | -46.2 | 0 | 0 | 112.2 | R521 N522 Q523 M527 R528 | R521-Q525 PolarHBondContact O-N 3.03Å; N522-Q525 PolarHBondContact O-N 3.37Å; Q523-Q525 VanDerWaalsContact C-N 3.3Å; Q523-Q525 PolarHBondContact O-N 3.21Å; Q525-M527 VanDerWaalsContact C-N 3.3Å; Q525-M527 PolarHBondContact O-N 2.71Å; Q525-R528 PolarHBondContact O-N 2.74Å |
| 526 | R | 54.4 | Low | 52.3 | Low | 180 Ų | 180 | 137.3 Ų | 137.3 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.8 | -21 | 178.8 | -173.5 | 174.6 | -93.7 | -144 | -1.2 | 113.9 | N522 Q523 | N522-R526 PolarHBondContact O-N 2.89Å; Q523-R526 PolarHBondContact O-N 3.43Å |
| 527 | M | 46.2 | Very low | 50.4 | Low | 156 Ų | 156 | 137.9 Ų | 137.9 | 77% | 0.768 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -8.5 | 179.7 | -75.5 | -67.1 | -68.1 | 0 | 0 | 114.9 | Q523 Q525 Q529 | Q523-M527 WeakPolarHBondContact O-CB 3.27Å; Q523-M527 WeakPolarHBondContact O-CG 3.43Å; Q523-M527 PolarHBondContact O-N 3.13Å; Q525-M527 VanDerWaalsContact C-N 3.3Å; Q525-M527 PolarHBondContact O-N 2.71Å; M527-Q529 PolarHBondContact O-N 2.9Å |
| 528 | R | 43 | Very low | 48.4 | Very low | 207 Ų | 207 | 140 Ų | 140 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | | | trans | -88.7 | 97.1 | 179.1 | -177.5 | 174.6 | 166 | 109.9 | -3.3 | 110.7 | Q525 | Q525-R528 PolarHBondContact O-N 2.74Š|
| 529 | Q | 34.3 | Very low | 46.4 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | | | trans | -61.6 | 148.9 | 170.6 | -73.8 | -169.1 | -8 | 0 | 0 | 111.7 | M527 S531 | M527-Q529 PolarHBondContact O-N 2.9Å; Q529-S531 PolarHBondContact O-N 3.07Å |
| 530 | P | 41.4 | Very low | 44.6 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -74.3 | 115.5 | 172.7 | 30.3 | -33 | 0 | 0 | 0 | 110.7 | L532 | P530-L532 PolarHBondContact O-N 3.19Š|
| 531 | S | 29.3 | Very low | 42.8 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -80.2 | 112.8 | 172.3 | 53 | 0 | 0 | 0 | 0 | 110.8 | Q529 | Q529-S531 PolarHBondContact O-N 3.07Š|
| 532 | L | 38.2 | Very low | 41.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -76.1 | 150.3 | 166.2 | -86.1 | 164.9 | 0 | 0 | 0 | 111.1 | P530 | P530-L532 PolarHBondContact O-N 3.19Š|
| 533 | Q | 34.3 | Very low | 40.1 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | | | trans | 93.7 | 139 | -169 | -59.6 | 163.1 | 88.2 | 0 | 0 | 113.3 | | |
| 534 | Q | 32.9 | Very low | 38.3 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | cis | -154.5 | 135 | -1.7 | -120.2 | 170.6 | 74.1 | 0 | 0 | 108.2 | | |
| 535 | L | 32.4 | Very low | 37.3 | Very low | 184 Ų | 184 | 142 Ų | 142 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | | | trans | -151.1 | 95.9 | 162.9 | -173.1 | 62 | 0 | 0 | 0 | 110.3 | | |
| 536 | G | 33.5 | Very low | 36 | Very low | 60 Ų | 60 | 143.5 Ų | 143.5 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | trans | -138.7 | 106.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 537 | H | 34.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | | | trans | 40.7 | 113.5 | 165 | -44.2 | -66.5 | 0 | 0 | 0 | 119.1 | | |
| 538 | H | 33.8 | Very low | 34.5 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | | -142.4 | 121.6 | 124.4 | -90.6 | -76.9 | 0 | 0 | 0 | 108.2 | | |
| 539 | G | 32.3 | Very low | 33.9 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -118 | 123.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 540 | D | 30.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -147.7 | 151 | 176.1 | -126 | -43.9 | 0 | 0 | 0 | 110.3 | | |
| 541 | V | 35.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -95.3 | 135.8 | -163.7 | 178 | 0 | 0 | 0 | 0 | 111.1 | P543 | V541-P543 VanDerWaalsContact O-CD 3.28Å; V541-P543 WeakPolarHBondContact O-CD 3.24Å |
| 542 | P | 34.6 | Very low | 33.8 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 122.5 | 175.5 | 27.6 | -34.2 | 0 | 0 | 0 | 111.8 | | |
| 543 | P | 35.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -110.8 | 115.8 | -176 | 35.7 | -24.1 | 0 | 0 | 0 | 113.3 | V541 | V541-P543 VanDerWaalsContact O-CD 3.28Å; V541-P543 WeakPolarHBondContact O-CD 3.24Å |
| 544 | V | 27.4 | Very low | 33.2 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -151.4 | 159.2 | 164.2 | -114.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 545 | P | 39.3 | Very low | 33.3 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | | -126.4 | -175.5 | -108.2 | 42.1 | -28.3 | 0 | 0 | 0 | 113.5 | | |
| 546 | M | 32.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 129 Ų | 129 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -176.6 | 165 | 133.8 | -98.6 | -73.2 | 174.8 | 0 | 0 | 111.9 | | |
| 547 | T | 35.6 | Very low | 33.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | 62.4 | 107.3 | 169.2 | 57.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 548 | H | 34.4 | Very low | 34.3 | Very low | 204 Ų | 204 | 130 Ų | 130 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | | | trans | -79.3 | 150 | 147.3 | -66.2 | -97.6 | 0 | 0 | 0 | 109.5 | | |
| 549 | G | 30.3 | Very low | 33.9 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | -170.3 | 30.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 550 | G | 28.8 | Very low | 33.8 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 88.6 | 177.1 | 160 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 551 | P | 43 | Very low | 33.8 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | trans | -135.3 | -171.3 | -154.2 | 40.2 | -20.4 | 0 | 0 | 0 | 117.2 | | |
| 552 | V | 31.4 | Very low | 33.4 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | trans | 72 | 141.2 | 165.6 | -53.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 553 | G | 28.7 | Very low | 33.2 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 158.8 | 47.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 554 | N | 30 | Very low | 32.8 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | trans | 65.9 | 139 | 155.1 | -63.2 | -19.6 | 0 | 0 | 0 | 123.8 | | |
| 555 | M | 35.3 | Very low | 33 | Very low | 163 Ų | 163 | 136 Ų | 136 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 171.3 | 163.1 | -140 | 41.9 | 174.8 | 0 | 0 | 110 | | |
| 556 | P | 42.5 | Very low | 32.6 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | cis | -146.8 | 178.1 | 21.5 | 44.1 | -23.3 | 0 | 0 | 0 | 120.1 | | |
| 557 | Q | 31.7 | Very low | 32.7 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -62.3 | 170.3 | 157.9 | -75.1 | -86.7 | -17.3 | 0 | 0 | 112.3 | | |
| 558 | P | 46.6 | Very low | 32.7 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | | | cis | -143.2 | 176.2 | 20.5 | 44.7 | -26.2 | 0 | 0 | 0 | 119 | | |
| 559 | N | 27.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 135 Ų | 135 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | 35.7 | 135.4 | 146.9 | -90.2 | 0.7 | 0 | 0 | 0 | 124.6 | | |
| 560 | F | 28.8 | Very low | 32.9 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | | | trans | 42.5 | 125.6 | 146.9 | -68.6 | -72.9 | 0 | 0 | 0 | 121.4 | | |
| 561 | D | 30.4 | Very low | 33 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | | | | -165 | 161.8 | 94.8 | -146.1 | -17.9 | 0 | 0 | 0 | 113.2 | | |
| 562 | R | 28.4 | Very low | 32.4 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | trans | 51.5 | 102.7 | 147.9 | -155 | 155.5 | -70.8 | 100.3 | 21.2 | 123.2 | | |
| 563 | E | 30.6 | Very low | 32.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | | | | 44.3 | 129.7 | 118.5 | -162.3 | 175.8 | 109.2 | 0 | 0 | 122.5 | | |
| 564 | N | 27.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | | 157.1 | 130.5 | 122.7 | -171 | 7 | 0 | 0 | 0 | 114.7 | | |
| 565 | S | 30 | Very low | 32.2 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | trans | 49.1 | 143.5 | 157.8 | -68.3 | 0 | 0 | 0 | 0 | 123.1 | | |
| 566 | G | 31.8 | Very low | 32.9 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -157.3 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 567 | R | 33.8 | Very low | 32.3 | Very low | 257 Ų | 257 | 140.9 Ų | 140.9 | 97% | 0.97 | 75% | 0.751 | S | S | * | * | | | trans | 70 | 149.2 | 178.9 | -59.7 | -172.7 | 178.1 | -133.4 | -0.6 | 120 | | |
| 568 | M | 35.1 | Very low | 32.4 | Very low | 152 Ų | 152 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | -83.4 | -178.7 | -179.5 | -75.2 | -80.8 | -73.6 | 0 | 0 | 113.9 | I571 | M568-I571 HydrophobicContact CE-CD1 4.1Š|
| 569 | P | 43.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | | | cis | -117.3 | -153.9 | 2.6 | 43.5 | -28.8 | 0 | 0 | 0 | 112.6 | | |
| 570 | S | 27.4 | Very low | 31.5 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | cis | -153.8 | 165.9 | 2.8 | -137.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 571 | I | 29.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 64% | 0.641 | 75% | 0.748 | S | S | * | * | | | cis | 82.1 | 87.4 | 14.4 | -48 | 173.8 | 0 | 0 | 0 | 116.2 | M568 | M568-I571 HydrophobicContact CE-CD1 4.1Š|
| 572 | D | 30.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | | 179.1 | 159.9 | 121.5 | -105.7 | -45.6 | 0 | 0 | 0 | 109.5 | | |
| 573 | G | 29.5 | Very low | 31.6 | Very low | 57 Ų | 57 | 137.6 Ų | 137.6 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | | | cis | 174.7 | 146 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 574 | Q | 29.5 | Very low | 31.7 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | 56.6 | 127.8 | 166.4 | -102.2 | 65.4 | -7.3 | 0 | 0 | 123.8 | | |
| 575 | N | 27.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | trans | -168.1 | 158.5 | 155.4 | -160.8 | 22.5 | 0 | 0 | 0 | 107.2 | | |
| 576 | P | 49.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -121.1 | 178.3 | -15 | 41.5 | -28.1 | 0 | 0 | 0 | 114.1 | | |
| 577 | H | 30.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 144 Ų | 144 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -139.3 | 140.8 | 148.5 | -164.6 | -84.3 | 0 | 0 | 0 | 113.8 | | |
| 578 | V | 33 | Very low | 31.5 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | | | trans | -57.8 | 139.5 | -175.2 | -158.9 | 0 | 0 | 0 | 0 | 115 | | |
| 579 | T | 27.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | | | | -161.5 | 143 | 123.6 | 24.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 580 | Q | 27 | Very low | 31.5 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | | | trans | 6.8 | 153.1 | 153.8 | -70 | 162.6 | -82.3 | 0 | 0 | 122 | | |
| 581 | E | 27.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | | | cis | -167.1 | 172.1 | -17.7 | 59.8 | -172 | 91.4 | 0 | 0 | 110.9 | S583 | E581-S583 PolarHBondContact O-N 3.5Š|
| 582 | N | 30.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | | | trans | -14 | 114.1 | 177.7 | -69.4 | -37.4 | 0 | 0 | 0 | 118.2 | | |
| 583 | S | 32.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 128 Ų | 128 | 87% | 0.867 | 70% | 0.696 | S | S | * | * | | | trans | -134.3 | 116.4 | 155.4 | -75.4 | 0 | 0 | 0 | 0 | 110.1 | E581 | E581-S583 PolarHBondContact O-N 3.5Š|
| 584 | W | 31.1 | Very low | 33.1 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 80% | 0.803 | 71% | 0.706 | S | S | * | * | | | trans | -98.6 | 155.4 | 175.5 | -87.2 | 56.8 | 0 | 0 | 0 | 110.5 | | |
| 585 | F | 30.2 | Very low | 33.2 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | | | trans | 72.6 | 117.7 | -179.1 | -61 | -82.6 | 0 | 0 | 0 | 116.1 | | |
| 586 | Q | 28.3 | Very low | 33.7 | Very low | 196 Ų | 196 | 128.4 Ų | 128.4 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | | | trans | -97 | 136.2 | 152.9 | -66.2 | -160.2 | -14.5 | 0 | 0 | 108.8 | | |
| 587 | G | 28.3 | Very low | 33 | Very low | 42 Ų | 42 | 130.5 Ų | 130.5 | 43% | 0.433 | 69% | 0.688 | S | S | . | * | | | trans | -102.7 | 149.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 588 | S | 32.9 | Very low | 33.4 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | | | trans | -109.8 | 158 | 178.4 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | G169 Q170 | G169-S588 CarbonylContact C-O 3.39Å; Q170-S588 WeakPolarHBondContact CA-O 3.45Å; Q170-S588 WeakPolarHBondContact CB-O 3.2Å; Q170-S588 PolarHBondContact O-N 3.38Å; Q170-S588 PolarHBondContact OE1-OG 3.35Å |
| 589 | H | 35.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 45% | 0.449 | 70% | 0.702 | S | S | . | * | | | trans | -138.5 | 121.9 | -169.8 | -54.6 | -47.1 | 0 | 0 | 0 | 110.9 | E168 G169 | E168-H589 VanDerWaalsContact C-ND1 3.25Å; E168-H589 VanDerWaalsContact CD-CB 3.42Å; E168-H589 VanDerWaalsContact CD-CD2 3.49Å; E168-H589 VanDerWaalsContact CD-CG 3.48Å; E168-H589 HydrophobicContact CG-CB 3.97Å; E168-H589 WeakPolarHBondContact OE1-CB 3.47Å; E168-H589 IonicContact OE1-CD2 2.96Å; E168-H589 PolarHBondContact OE1-CD2 3.42Å; E168-H589 IonicContact OE1-CG 2.68Å; E168-H589 IonicContact OE1-NE2 3.2Å; G169-H589 PolarHBondContact N-ND1 2.95Å; G169-H589 PolarHBondContact O-CE1 3.06Å; G169-H589 VanDerWaalsContact O-CE1 3.28Å; G169-H589 PolarHBondContact O-ND1 3.47Å |
| 590 | P | 42.1 | Very low | 33.6 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 42% | 0.422 | 70% | 0.701 | S | S | . | * | | | trans | -98.1 | 161.1 | 179.8 | 37 | -34 | 0 | 0 | 0 | 113.7 | | |
| 591 | P | 42.5 | Very low | 33.7 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | | | trans | -120.8 | 164.7 | -149.1 | 41.5 | -31.8 | 0 | 0 | 0 | 117.8 | | |
| 592 | G | 34.1 | Very low | 34 | Very low | 44 Ų | 44 | 129.1 Ų | 129.1 | 45% | 0.454 | 72% | 0.718 | S | S | . | * | | | trans | 119.8 | 137.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | L166 | L166-G592 VanDerWaalsContact CD1-C 3.43Å; L166-G592 VanDerWaalsContact CD1-O 3.23Å; L166-G592 WeakPolarHBondContact CD1-O 3.42Å; L166-G592 WeakPolarHBondContact CD2-O 3.36Å |
| 593 | E | 32.6 | Very low | 34 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | | | trans | 108.3 | 70.1 | 170 | -59.2 | -169.3 | -171.6 | 0 | 0 | 118.2 | | |
| 594 | I | 40.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | | | | 34.2 | 121.1 | 93.6 | 52.9 | 158.8 | 0 | 0 | 0 | 121.1 | | |
| 595 | M | 32.4 | Very low | 33.9 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | | | trans | -161.1 | 98.6 | 138.4 | -109.8 | 177.7 | -109.9 | 0 | 0 | 111.4 | | |
| 596 | S | 37.2 | Very low | 34 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | | | | 72.4 | 112.5 | 84.3 | -76.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 597 | R | 34.9 | Very low | 34 | Very low | 152 Ų | 152 | 114.5 Ų | 114.5 | 57% | 0.574 | 70% | 0.699 | S | S | * | * | | | trans | -153.9 | 155.8 | 136 | -134.1 | 149.8 | -75.5 | -117.4 | 4.8 | 111.3 | P155 Q156 | P155-R597 HydrophobicContact CB-CB 4.17Å; P155-R597 PolarHBondContact O-NE 3.48Å; P155-R597 PolarHBondContact O-NH2 3.37Å; Q156-R597 PolarHBondContact O-NH2 2.83Å |
| 598 | R | 40.1 | Very low | 34.8 | Very low | 232 Ų | 232 | 118 Ų | 118 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | | | trans | -109.2 | 163 | -159.6 | -65.3 | 179.4 | 170.6 | -154.8 | -1.4 | 114.7 | | |
| 599 | M | 34 | Very low | 34.8 | Very low | 181 Ų | 181 | 122.3 Ų | 122.3 | 89% | 0.892 | 73% | 0.733 | S | S | * | * | | | | 146.1 | 139.1 | 129.9 | -76.2 | -65.8 | -82 | 0 | 0 | 110.7 | | |
| 600 | G | 30.9 | Very low | 34.5 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | cis | 153.4 | 114.3 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 601 | G | 27.8 | Very low | 34.1 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | | | trans | 103.7 | 121.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 602 | A | 34.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | | | cis | 101 | 130.4 | 20.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 603 | G | 29.8 | Very low | 33.5 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 176.5 | 73.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 604 | N | 28.1 | Very low | 33.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | 37.3 | 152.5 | 154 | -69 | 59.6 | 0 | 0 | 0 | 125.4 | | |
| 605 | E | 34.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | trans | -70 | 157.1 | -174.6 | 59.6 | -74 | -16.6 | 0 | 0 | 119.1 | | |
| 606 | S | 31.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | | | trans | -175.1 | 146.3 | 136 | 27.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 607 | G | 28.8 | Very low | 32.5 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -121.5 | -146.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 608 | P | 45.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -134 | -170.4 | -11.5 | 33.4 | -11.3 | 0 | 0 | 0 | 112.3 | | |
| 609 | N | 31.5 | Very low | 32 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | | 165.8 | 145.7 | 125.9 | -85.8 | -10.9 | 0 | 0 | 0 | 114.3 | | |
| 610 | E | 31.7 | Very low | 32 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -94.4 | 140.7 | 166.8 | -63.7 | 170.8 | 84.9 | 0 | 0 | 111.8 | | |
| 611 | M | 33.3 | Very low | 32.3 | Very low | 178 Ų | 178 | 122.7 Ų | 122.7 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | -166.8 | 140.2 | 137.5 | -139.2 | 156.9 | -75.3 | 0 | 0 | 107.9 | | |
| 612 | G | 30.2 | Very low | 32.5 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | | | cis | 116.8 | 132.7 | 7.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 613 | L | 33.9 | Very low | 32.6 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | 75.3 | 153.3 | -176.2 | -51.4 | 172.1 | 0 | 0 | 0 | 116.1 | | |
| 614 | Q | 29.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | cis | -167.5 | 159.5 | -38.6 | -152.8 | -172 | 84.6 | 0 | 0 | 110.1 | | |
| 615 | Q | 31.2 | Very low | 33.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | trans | 84.5 | 136.3 | 138.1 | -133.5 | -168 | 98.9 | 0 | 0 | 122.3 | | |
| 616 | N | 29.9 | Very low | 33.5 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 74.6 | 163.6 | 143.5 | -114.8 | -38.1 | 0 | 0 | 0 | 120.9 | | |
| 617 | G | 31.3 | Very low | 33.5 | Very low | 59 Ų | 59 | 131 Ų | 131 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -167.2 | -172.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 618 | A | 32.9 | Very low | 33.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | | | trans | 58.2 | 110.9 | 176 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 619 | G | 31.2 | Very low | 33.1 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 164 | 98.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 620 | M | 32.6 | Very low | 33.2 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | | 56.5 | 109.3 | 127.2 | -62.1 | -95.7 | -95.7 | 0 | 0 | 121.7 | | |
| 621 | M | 37.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | | | trans | 76.5 | 163.8 | 135.1 | -58.7 | -168.3 | -66.7 | 0 | 0 | 121.8 | | |
| 622 | F | 32.1 | Very low | 34.5 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | 88.2 | 105.6 | 165.4 | -60.6 | -72.8 | 0 | 0 | 0 | 121.4 | | |
| 623 | R | 37.4 | Very low | 35 | Very low | 237 Ų | 237 | 142.6 Ų | 142.6 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | | | trans | -73 | -177.7 | 146.9 | -121 | -176.3 | 179.3 | -144.8 | 2.5 | 109.7 | | |
| 624 | P | 48 | Very low | 35.2 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | cis | -140.4 | -176.1 | -12.4 | 40.3 | -22.1 | 0 | 0 | 0 | 116.1 | | |
| 625 | G | 30.7 | Very low | 35.2 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | 113.9 | 167.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 626 | I | 31.7 | Very low | 35.2 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 92% | 0.918 | 78% | 0.781 | S | S | * | * | | | cis | -163.8 | 155 | -20 | 22.3 | 168.9 | 0 | 0 | 0 | 110.9 | | |
| 627 | G | 32.4 | Very low | 35.3 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | 102.1 | 155.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 628 | M | 35.6 | Very low | 35.4 | Very low | 167 Ų | 167 | 138 Ų | 138 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | | | cis | -161.4 | 154 | -5.2 | -106.1 | -60.8 | -164.9 | 0 | 0 | 111.3 | | |
| 629 | Q | 30.8 | Very low | 35.6 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | 70.7 | 126.2 | 153.2 | -68.6 | 165.1 | 22.6 | 0 | 0 | 122.4 | | |
| 630 | E | 32.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | trans | -84.9 | 170.7 | 154.6 | -126.3 | -160.7 | 107.7 | 0 | 0 | 109.8 | M632 | E630-M632 PolarHBondContact OE1-N 3Š|
| 631 | P | 55.5 | Low | 35.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | | -152.7 | 148.9 | 55.6 | 39.2 | -17 | 0 | 0 | 0 | 120.4 | | |
| 632 | M | 37.8 | Very low | 35 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | trans | 16.3 | 130 | 134.7 | -171.5 | -161 | -52.7 | 0 | 0 | 122.2 | E630 I634 | E630-M632 PolarHBondContact OE1-N 3Å; M632-I634 HydrophobicContact CG-CD1 4.44Å |
| 633 | R | 40.7 | Very low | 34.9 | Very low | 255 Ų | 255 | 140.1 Ų | 140.1 | 96% | 0.962 | 78% | 0.779 | S | S | * | * | | | trans | -151.7 | 167 | 137.7 | -72.9 | -150.8 | -177.8 | -172.8 | 2.5 | 112 | | |
| 634 | I | 36.8 | Very low | 34.6 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | -138.5 | 160.5 | -157.9 | -72.5 | 164.8 | 0 | 0 | 0 | 112.3 | M632 | M632-I634 HydrophobicContact CG-CD1 4.44Š|
| 635 | A | 31.3 | Very low | 33.9 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | 72.6 | 149.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 636 | G | 30.6 | Very low | 34.6 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | cis | 151.1 | 164.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 637 | D | 32.6 | Very low | 34.5 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | cis | -167 | 176 | -11.6 | -142.8 | -67.9 | 0 | 0 | 0 | 109.9 | | |
| 638 | G | 31.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | | | trans | 143.5 | 127.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 639 | H | 38 | Very low | 34.6 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -44.2 | 166.4 | 166.3 | -61.3 | -59.1 | 0 | 0 | 0 | 117.5 | | |
| 640 | V | 31.1 | Very low | 34.4 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | cis | -147.6 | 145.5 | 5.3 | -103 | 0 | 0 | 0 | 0 | 106.7 | | |
| 641 | Q | 29.5 | Very low | 34.4 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | | 81.3 | 103.5 | 50.3 | -82.9 | -69.9 | 18 | 0 | 0 | 118 | | |
| 642 | T | 27.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 64% | 0.638 | 78% | 0.775 | S | S | * | * | | | trans | 58.6 | 164.1 | 146 | 28.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 643 | L | 31.6 | Very low | 33 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | cis | -140.5 | 151.2 | 24.5 | -71.3 | 163.9 | 0 | 0 | 0 | 115.5 | | |
| 644 | H | 30 | Very low | 32.5 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | | | trans | 14.9 | 146.8 | 139.2 | -55.7 | 91.7 | 0 | 0 | 0 | 125.1 | | |
| 645 | S | 34.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -74.7 | 159.3 | 153.3 | -33.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 646 | P | 43.6 | Very low | 32.6 | Very low | 134 Ų | 134 | 133 Ų | 133 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | trans | -125.6 | 179.5 | 152.2 | 39.5 | -28.8 | 0 | 0 | 0 | 112.7 | | |
| 647 | G | 30.4 | Very low | 32.7 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -173.2 | -177.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 648 | M | 34.6 | Very low | 32.6 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | | | trans | 88.7 | 133.8 | 166 | -56.4 | -63 | -94 | 0 | 0 | 121.1 | | |
| 649 | H | 36 | Very low | 32.9 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.676 | 78% | 0.778 | S | S | * | * | | | trans | 93.7 | 120 | 138.4 | -88.2 | -148 | 0 | 0 | 0 | 123.9 | | |
| 650 | S | 26.1 | Very low | 32.7 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -165.9 | 172.2 | 133.7 | -84.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 651 | Q | 32.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | | | | -139.5 | 152.4 | -128.9 | -100.2 | -172.9 | -25.1 | 0 | 0 | 117.1 | | |
| 652 | F | 36.2 | Very low | 32.9 | Very low | 179 Ų | 179 | 131 Ų | 131 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 69.7 | 141.1 | 148.3 | -91.6 | -81.8 | 0 | 0 | 0 | 124.8 | | |
| 653 | S | 27.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | 68.9 | 150.6 | 153.9 | -60.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 654 | G | 31.4 | Very low | 32.9 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | cis | 162.3 | 152.7 | -13.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 655 | N | 31.9 | Very low | 33.7 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 73 | 177.2 | 157.4 | -144.9 | 5.3 | 0 | 0 | 0 | 121.7 | | |
| 656 | M | 38.8 | Very low | 33.5 | Very low | 176 Ų | 176 | 129 Ų | 129 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -119.7 | 156 | -157.8 | -58.2 | 170.2 | -81.2 | 0 | 0 | 116 | | |
| 657 | G | 31.6 | Very low | 33 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | 158.9 | 116.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 658 | N | 31.2 | Very low | 33.2 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | | 88.5 | 166.3 | 83.4 | -145.6 | -74.6 | 0 | 0 | 0 | 114.1 | | |
| 659 | L | 37.3 | Very low | 33.2 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -81.9 | 144.1 | -162.8 | -63.8 | 78.6 | 0 | 0 | 0 | 113.7 | | |
| 660 | S | 32.9 | Very low | 33.1 | Very low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | | 169.1 | 142.3 | 110.7 | -79 | 0 | 0 | 0 | 0 | 116.7 | | |
| 661 | Q | 34 | Very low | 33.5 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | | | trans | 63.5 | 120.3 | 145.2 | -73.8 | -171.8 | 99.5 | 0 | 0 | 123.3 | | |
| 662 | M | 32 | Very low | 34.4 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 56% | 0.562 | 78% | 0.784 | S | S | * | * | | | trans | 98.7 | 120.9 | 132.3 | -75.8 | 178.4 | 173 | 0 | 0 | 121.9 | | |
| 663 | Q | 27.6 | Very low | 34.5 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | 74.3 | 90.2 | 138.7 | -68.7 | 174.3 | -16.1 | 0 | 0 | 120.2 | | |
| 664 | S | 32 | Very low | 35 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | | -34.6 | 152.1 | 126.4 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 665 | P | 46.3 | Very low | 35.9 | Very low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | cis | -151.1 | 174 | 46.7 | 43.1 | -24.2 | 0 | 0 | 0 | 118.4 | | |
| 666 | G | 29.1 | Very low | 36 | Very low | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 132.5 | 156 | 139.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 667 | A | 32.7 | Very low | 35.7 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | trans | -45.8 | 151.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 668 | G | 35.7 | Very low | 36 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | cis | 113.9 | 141.8 | 6.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 669 | G | 35.1 | Very low | 36.3 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | | | trans | 84.6 | 148.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 670 | G | 33.3 | Very low | 37.3 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | 96.8 | 85.6 | 154 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 671 | H | 35.3 | Very low | 37.3 | Very low | 189 Ų | 189 | 121.1 Ų | 121.1 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | | | trans | -67.8 | 175 | 131.4 | -58.5 | -95 | 0 | 0 | 0 | 109.2 | | |
| 672 | P | 50.5 | Low | 37.1 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | cis | -136.1 | 170.1 | -0.9 | 34.4 | -14.2 | 0 | 0 | 0 | 116.6 | | |
| 673 | N | 39 | Very low | 37 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | | | trans | 52.6 | 160.1 | 144.8 | -72.1 | 8.7 | 0 | 0 | 0 | 124 | | |
| 674 | A | 36.7 | Very low | 37.6 | Very low | 73 Ų | 73 | 122 Ų | 122 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | | | trans | -79.3 | 167.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 675 | P | 51.8 | Low | 37.6 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -113.2 | 160.9 | -153.9 | 40.9 | -34.6 | 0 | 0 | 0 | 117.1 | | |
| 676 | A | 32.6 | Very low | 37.8 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -174.9 | 158.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 677 | E | 32.3 | Very low | 38.6 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 51% | 0.505 | 76% | 0.764 | S | S | . | * | | | trans | -150.7 | 168.5 | 170.1 | -73.8 | -160.9 | 145.5 | 0 | 0 | 108.2 | R679 | E677-R679 IonicContact OE1-CZ 3.66Å; E677-R679 IonicContact OE1-NH1 2.72Å; E677-R679 PolarHBondContact OE1-NH1 3.06Å; E677-R679 IonicContact OE1-NH2 3.22Å; E677-R679 PolarHBondContact OE1-NH2 3.04Å; E677-R679 IonicContact OE2-NH1 2.88Å; E677-R679 PolarHBondContact OE2-NH1 3.42Å |
| 678 | R | 38.7 | Very low | 38.6 | Very low | 204 Ų | 204 | 125.7 Ų | 125.7 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | cis | -128.3 | 170.8 | 22.2 | -89.7 | 82.4 | -149.3 | -139 | 2.4 | 110.6 | | |
| 679 | R | 37.7 | Very low | 38.3 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | cis | 74.1 | 152.2 | 37.1 | -82.8 | -150.5 | -146.5 | 81.4 | 16.5 | 116.3 | E677 | E677-R679 IonicContact OE1-CZ 3.66Å; E677-R679 IonicContact OE1-NH1 2.72Å; E677-R679 PolarHBondContact OE1-NH1 3.06Å; E677-R679 IonicContact OE1-NH2 3.22Å; E677-R679 PolarHBondContact OE1-NH2 3.04Å; E677-R679 IonicContact OE2-NH1 2.88Å; E677-R679 PolarHBondContact OE2-NH1 3.42Å |
| 680 | P | 57.3 | Low | 38.1 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -82.7 | -152.2 | -6.5 | 40.4 | -39.1 | 0 | 0 | 0 | 110.5 | | |
| 681 | A | 34.4 | Very low | 38 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | cis | -160.1 | 169.1 | 3.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 682 | D | 28.6 | Very low | 38.6 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | | -165.4 | 168.5 | -51 | -133.1 | -66.1 | 0 | 0 | 0 | 110.4 | | |
| 683 | F | 30.1 | Very low | 37.6 | Very low | 193 Ų | 193 | 127 Ų | 127 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | 61.8 | 154.5 | -174.4 | -74 | -85.6 | 0 | 0 | 0 | 117.7 | | |
| 684 | P | 40.8 | Very low | 37 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | cis | -122.3 | 172.3 | -11 | 40.5 | -27.3 | 0 | 0 | 0 | 114.7 | | |
| 685 | A | 32 | Very low | 37.6 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -147.6 | 173.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 686 | P | 50.3 | Low | 36.6 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | cis | -117.9 | -129.7 | -7 | 36.7 | -15.2 | 0 | 0 | 0 | 107.8 | | |
| 687 | P | 46.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | | | cis | -130.6 | -175.6 | -30 | 33.8 | -13.5 | 0 | 0 | 0 | 114.8 | | |
| 688 | M | 31.3 | Very low | 36.6 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | | | trans | 71.3 | 156.6 | 165.5 | -54.4 | -150.4 | -62 | 0 | 0 | 116.8 | | |
| 689 | G | 29.9 | Very low | 36.2 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | 149 | -179.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 690 | A | 31.8 | Very low | 36 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 71.6 | 125.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 691 | Q | 31.1 | Very low | 34.9 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | cis | 78 | 154.9 | 45.1 | -61.9 | -89.8 | -16 | 0 | 0 | 112.8 | | |
| 692 | P | 46.6 | Very low | 35 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -131.2 | -144.8 | -27.3 | 36.6 | -18.1 | 0 | 0 | 0 | 111.5 | | |
| 693 | T | 29.9 | Very low | 34.9 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 112.3 | 93 | 146.6 | -38.7 | 0 | 0 | 0 | 0 | 119 | | |
| 694 | F | 27.5 | Very low | 35.4 | Very low | 193 Ų | 193 | 127.5 Ų | 127.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -72.3 | 173.2 | 141.4 | -77.7 | -85.3 | 0 | 0 | 0 | 110.3 | | |
| 695 | P | 48.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | cis | -133.2 | -178.4 | -26.3 | 35.4 | -17.4 | 0 | 0 | 0 | 112.8 | | |
| 696 | Y | 30.6 | Very low | 35.5 | Very low | 229 Ų | 229 | 130 Ų | 130 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | | 177.6 | 144.4 | 118.1 | -119.5 | -91.8 | 0 | 0 | 0 | 114.3 | | |
| 697 | G | 32.7 | Very low | 34.5 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 75.2 | 137.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 698 | G | 32.1 | Very low | 34.2 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | cis | -163.9 | 148.2 | -7.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 699 | A | 29.6 | Very low | 34.6 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | -96.9 | 138.8 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 700 | N | 33.7 | Very low | 34.6 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -161.1 | 118.9 | 134.3 | -94.3 | -53.3 | 0 | 0 | 0 | 107.7 | | |
| 701 | R | 35.4 | Very low | 34.7 | Very low | 199 Ų | 199 | 131.4 Ų | 131.4 | 75% | 0.751 | 78% | 0.778 | S | S | * | * | | | | 63.7 | 119.9 | 76.2 | -69.8 | -171.9 | -170.9 | -129.7 | 6.2 | 111.5 | | |
| 702 | Q | 35.2 | Very low | 34.7 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | cis | -148.6 | 171.1 | 2.8 | -72.8 | 139.8 | 72.6 | 0 | 0 | 107.7 | | |
| 703 | G | 28.2 | Very low | 34.1 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | cis | -178 | 156.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 704 | P | 40 | Very low | 34 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -131.4 | -129.3 | -136.3 | 33.1 | -8.8 | 0 | 0 | 0 | 116.6 | | |
| 705 | P | 43.1 | Very low | 34.3 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 60% | 0.597 | 80% | 0.795 | S | S | * | * | | | | -132.5 | -174.1 | -87.3 | 36.8 | -19.1 | 0 | 0 | 0 | 118.3 | | |
| 706 | H | 32.5 | Very low | 33.5 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | | | trans | 92.6 | 122.6 | 146.6 | -67.2 | -39.9 | 0 | 0 | 0 | 123.7 | | |
| 707 | S | 29.1 | Very low | 33.6 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | | 43.8 | 133.4 | 120.8 | -45 | 0 | 0 | 0 | 0 | 123.2 | | |
| 708 | A | 38.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -84.6 | 170.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 709 | P | 41.4 | Very low | 32.9 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | | -148.5 | -160.3 | 91.3 | 41.4 | -23.3 | 0 | 0 | 0 | 115 | | |
| 710 | Q | 29.9 | Very low | 34.1 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -86.9 | 162.7 | -173.6 | -63.3 | 178.8 | -19.3 | 0 | 0 | 114.4 | | |
| 711 | G | 33.3 | Very low | 34.7 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -110.8 | -170.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 712 | V | 31.3 | Very low | 34.2 | Very low | 157 Ų | 157 | 129 Ų | 129 | 95% | 0.952 | 80% | 0.799 | S | S | * | * | | | trans | -151.3 | 165.1 | 171.2 | -84 | 0 | 0 | 0 | 0 | 110.7 | | |
| 713 | S | 34.2 | Very low | 34.1 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -103.6 | 139 | -174.1 | -47.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 714 | T | 28.2 | Very low | 33.9 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -154.4 | 137 | 152 | 46.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 715 | S | 32.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -100.5 | 144.3 | 156 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 716 | P | 32.8 | Very low | 33.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | | -138.3 | 162.4 | 113.3 | 38 | -28 | 0 | 0 | 0 | 112.5 | | |
| 717 | G | 32.4 | Very low | 33.2 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -117.8 | 156 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 718 | S | 25.8 | Very low | 33.2 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -160.6 | 148.3 | 162.3 | -82.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 719 | Y | 24.3 | Very low | 32.8 | Very low | 226 Ų | 226 | 130.2 Ų | 130.2 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | | | trans | -109.5 | -159.4 | -178.5 | -98.4 | -74.1 | 0 | 0 | 0 | 109.1 | | |
| 720 | P | 55.2 | Low | 32 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | cis | -111.6 | -55.1 | -20.6 | 27.1 | -23 | 0 | 0 | 0 | 124.4 | | |
| 721 | P | 46.1 | Very low | 31.8 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | | -115.8 | 167.7 | -128.5 | 38.3 | -22.8 | 0 | 0 | 0 | 113.9 | | |
| 722 | Q | 25.2 | Very low | 31.5 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | -168.9 | 166 | 56.8 | -81.5 | -85 | -80.8 | 0 | 0 | 108 | | |
| 723 | S | 31.4 | Very low | 31.2 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 53% | 0.531 | 77% | 0.772 | S | S | . | * | | | cis | -173.9 | 161.8 | -24.2 | -103.4 | 0 | 0 | 0 | 0 | 109 | | |
| 724 | D | 25.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | | | cis | -132.5 | -113.6 | -3.1 | -147.1 | -110 | 0 | 0 | 0 | 111.8 | | |
| 725 | F | 28.9 | Very low | 30.8 | Very low | 192 Ų | 192 | 131.5 Ų | 131.5 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | cis | -149.5 | 166.1 | -7.6 | -130.1 | 5.3 | 0 | 0 | 0 | 107.5 | | |
| 726 | P | 38.4 | Very low | 31 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | | -115.2 | 147.3 | -129.5 | 40.2 | -35.5 | 0 | 0 | 0 | 117.9 | | |
| 727 | S | 32.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 131 Ų | 131 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | 178.3 | 149.9 | 139.9 | 43.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 728 | G | 29.6 | Very low | 30.6 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | cis | -173.6 | 105.1 | -5.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 729 | Q | 28.5 | Very low | 30.8 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -31.8 | 155.5 | 175.9 | -72.1 | -148.9 | 24.6 | 0 | 0 | 119.1 | | |
| 730 | R | 26.5 | Very low | 30.8 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | cis | -171.4 | 157 | -11.5 | -125 | -171.8 | -170.1 | -113.2 | 2.1 | 111.2 | | |
| 731 | S | 25.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | 70.7 | 167.4 | 160 | -40.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 732 | S | 26.1 | Very low | 29.2 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | cis | -157.5 | 145.1 | 10.7 | 67.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 733 | V | 25.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | 29.1 | 124.2 | 154.8 | -77.5 | 0 | 0 | 0 | 0 | 125.2 | | |
| 734 | S | 25.7 | Very low | 29.5 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | | 62.6 | 136.1 | 121.6 | -50.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 735 | K | 29 | Very low | 30.1 | Very low | 186 Ų | 186 | 129.4 Ų | 129.4 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | | | | 121.2 | 107.6 | 119.9 | -157.4 | 173.8 | -176.9 | -174.2 | 0 | 119.2 | | |
| 736 | L | 35.6 | Very low | 30.2 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | 68.5 | 148.5 | 153.4 | -64.7 | 171.7 | 0 | 0 | 0 | 120.8 | | |
| 737 | G | 27.3 | Very low | 30.4 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 129.3 | 95.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 738 | A | 30.3 | Very low | 30.1 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | | 95.9 | 116.9 | 54 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 739 | L | 29.7 | Very low | 31.1 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 61.9 | 115.8 | 162.5 | -51.9 | 178.5 | 0 | 0 | 0 | 120.1 | | |
| 740 | S | 25.1 | Very low | 31.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | | 174.4 | 148.7 | 111 | -77.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 741 | L | 39.7 | Very low | 33 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -89.8 | 122.4 | 173.5 | -85.8 | 162.1 | 0 | 0 | 0 | 111.3 | | |
| 742 | G | 26.2 | Very low | 33.9 | Very low | 58 Ų | 58 | 128.4 Ų | 128.4 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | | | trans | -133.4 | 56.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F744 | G742-F744 PolarHBondContact O-N 3.5Š|
| 743 | N | 33.3 | Very low | 35.2 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 56% | 0.556 | 76% | 0.76 | S | S | * | * | | | trans | -50.7 | 132.8 | 172 | 150.8 | 98.1 | 0 | 0 | 0 | 112.6 | S13 | S13-N743 WeakPolarHBondContact CB-O 3.03Å; S13-N743 WeakPolarHBondContact OG-CB 3.24Å; S13-N743 PolarHBondContact OG-ND2 3.42Å; S13-N743 PolarHBondContact OG-O 3.29Å |
| 744 | F | 31.4 | Very low | 36.2 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | | | trans | -154.9 | 138.9 | 151.2 | -125.7 | -77.1 | 0 | 0 | 0 | 111.5 | G742 | G742-F744 PolarHBondContact O-N 3.5Š|
| 745 | S | 38 | Very low | 37.5 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | trans | -75.7 | 130.8 | -175.2 | -44 | 0 | 0 | 0 | 0 | 112.6 | | |
| 746 | K | 30.5 | Very low | 38.6 | Very low | 210 Ų | 210 | 125.8 Ų | 125.8 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | | | trans | -155.2 | 121.9 | 155.2 | -112.9 | 167.9 | -173.7 | 177.8 | 0 | 111 | S748 | K746-S748 PolarHBondContact O-N 3.07Š|
| 747 | T | 41.6 | Very low | 39.7 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | | | trans | -79.1 | 97.1 | 177.9 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | S749 | T747-S749 PolarHBondContact O-N 3.28Š|
| 748 | S | 28.2 | Very low | 41.3 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | | | trans | -83.6 | 93.1 | 165.1 | -167.7 | 0 | 0 | 0 | 0 | 109.1 | K746 K750 | K746-S748 PolarHBondContact O-N 3.07Å; S748-K750 VanDerWaalsContact C-N 3.32Å; S748-K750 PolarHBondContact O-N 2.97Å |
| 749 | S | 49.1 | Very low | 43.3 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | | | trans | -83 | 72.9 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | T747 | T747-S749 PolarHBondContact O-N 3.28Š|
| 750 | K | 45.7 | Very low | 45 | Very low | 165 Ų | 165 | 116.3 Ų | 116.3 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | | | trans | -145.3 | 146.6 | 168.4 | -130.8 | -173.4 | 167.5 | -165.8 | 0 | 112.1 | S748 | S748-K750 VanDerWaalsContact C-N 3.32Å; S748-K750 PolarHBondContact O-N 2.97Å |
| 751 | D | 50.6 | Low | 47.1 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | | | trans | 57.8 | 60.5 | 159 | -50.2 | -40 | 0 | 0 | 0 | 117.3 | | |
| 752 | S | 44.1 | Very low | 49.2 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | | | trans | -131.1 | 43.1 | 162.4 | -152.8 | 0 | 0 | 0 | 0 | 113.1 | F754 G755 | S752-F754 VanDerWaalsContact C-N 3.27Å; S752-F754 PolarHBondContact O-N 3.34Å; S752-G755 PolarHBondContact O-N 3.37Å |
| 753 | V | 52.3 | Low | 51.3 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.1 | -31 | 175.8 | -88.6 | 0 | 0 | 0 | 0 | 113.1 | S757 | V753-S757 WeakPolarHBondContact O-CB 3.41Å; V753-S757 PolarHBondContact O-N 3.07Å |
| 754 | F | 46.3 | Very low | 53.5 | Low | 167 Ų | 167 | 110 Ų | 110 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.6 | -42.8 | 179.7 | -165.7 | -100.2 | 0 | 0 | 0 | 112.7 | S752 S757 C758 | S752-F754 VanDerWaalsContact C-N 3.27Å; S752-F754 PolarHBondContact O-N 3.34Å; F754-S757 PolarHBondContact O-N 3.09Å; F754-C758 PolarHBondContact O-N 3.34Å; F754-C758 PolarHBondContact O-SG 2.89Å |
| 755 | G | 54.5 | Low | 55.3 | Low | 34 Ų | 34 | 104 Ų | 104 | 35% | 0.351 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.1 | -39.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S752 L759 | S752-G755 PolarHBondContact O-N 3.37Å; G755-L759 PolarHBondContact O-N 3.05Å |
| 756 | Q | 51.2 | Low | 56.7 | Low | 151 Ų | 151 | 102.7 Ų | 102.7 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.5 | -37.2 | 173.7 | -65.7 | -168.5 | 21.7 | 0 | 0 | 112.1 | L759 A760 | Q756-L759 PolarHBondContact O-N 3.04Å; Q756-A760 WeakPolarHBondContact O-CB 2.86Å; Q756-A760 PolarHBondContact O-N 3Å |
| 757 | S | 59.6 | Low | 58.5 | Low | 74 Ų | 74 | 98.1 Ų | 98.1 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.9 | -46.3 | 174 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | V753 F754 L759 A760 A761 | V753-S757 WeakPolarHBondContact O-CB 3.41Å; V753-S757 PolarHBondContact O-N 3.07Å; F754-S757 PolarHBondContact O-N 3.09Å; S757-L759 PolarHBondContact O-N 2.96Å; S757-A760 PolarHBondContact O-N 3.2Å; S757-A761 WeakPolarHBondContact O-CB 3.49Å; S757-A761 PolarHBondContact O-N 3.29Å |
| 758 | C | 59.5 | Low | 59.7 | Low | 53 Ų | 53 | 96 Ų | 96 | 36% | 0.358 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -42.8 | 177.7 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | F754 A761 L762 | F754-C758 PolarHBondContact O-N 3.34Å; F754-C758 PolarHBondContact O-SG 2.89Å; C758-A761 PolarHBondContact O-N 3.47Å; C758-L762 WeakPolarHBondContact O-CB 3.01Å; C758-L762 VanDerWaalsContact O-CG 3.31Å; C758-L762 WeakPolarHBondContact O-CG 3.38Å; C758-L762 PolarHBondContact O-N 3.34Å |
| 759 | L | 72.9 | Confident | 61.8 | Low | 123 Ų | 123 | 97 Ų | 97 | 64% | 0.644 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.6 | -35.8 | 176.1 | -77.6 | 168.1 | 0 | 0 | 0 | 112.8 | G755 Q756 S757 S763 | G755-L759 PolarHBondContact O-N 3.05Å; Q756-L759 PolarHBondContact O-N 3.04Å; S757-L759 PolarHBondContact O-N 2.96Å; L759-S763 VanDerWaalsContact O-CB 3.28Å; L759-S763 WeakPolarHBondContact O-CB 2.67Å; L759-S763 PolarHBondContact O-N 2.95Å |
| 760 | A | 65.1 | Low | 62.6 | Low | 54 Ų | 54 | 93.4 Ų | 93.4 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q756 S757 S763 T764 | Q756-A760 WeakPolarHBondContact O-CB 2.86Å; Q756-A760 PolarHBondContact O-N 3Å; S757-A760 PolarHBondContact O-N 3.2Å; A760-S763 WeakPolarHBondContact O-CB 2.68Å; A760-S763 PolarHBondContact O-N 3.31Å; A760-T764 PolarHBondContact O-N 3.19Å; A760-T764 PolarHBondContact O-OG1 3.49Å; A760-T764 VanDerWaalsContact O-OG1 3.05Å |
| 761 | A | 68.4 | Low | 63 | Low | 58 Ų | 58 | 89 Ų | 89 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S757 C758 T764 A765 | S757-A761 WeakPolarHBondContact O-CB 3.49Å; S757-A761 PolarHBondContact O-N 3.29Å; C758-A761 PolarHBondContact O-N 3.47Å; A761-T764 PolarHBondContact O-N 3.33Å; A761-A765 VanDerWaalsContact O-CB 3.31Å; A761-A765 WeakPolarHBondContact O-CB 3.38Å; A761-A765 PolarHBondContact O-N 2.96Å |
| 762 | L | 84.6 | Confident | 63.1 | Low | 118 Ų | 118 | 88 Ų | 88 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 173.8 | -74.7 | 165.6 | 0 | 0 | 0 | 112 | C758 A765 C766 | C758-L762 WeakPolarHBondContact O-CB 3.01Å; C758-L762 VanDerWaalsContact O-CG 3.31Å; C758-L762 WeakPolarHBondContact O-CG 3.38Å; C758-L762 PolarHBondContact O-N 3.34Å; L762-A765 PolarHBondContact O-N 3.3Å; L762-C766 VanDerWaalsContact O-CB 3.28Å; L762-C766 WeakPolarHBondContact O-CB 3.44Å; L762-C766 PolarHBondContact O-N 3.27Å |
| 763 | S | 71.1 | Confident | 63.6 | Low | 41 Ų | 41 | 90.3 Ų | 90.3 | 29% | 0.287 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | L759 A760 C766 Q767 | L759-S763 VanDerWaalsContact O-CB 3.28Å; L759-S763 WeakPolarHBondContact O-CB 2.67Å; L759-S763 PolarHBondContact O-N 2.95Å; A760-S763 WeakPolarHBondContact O-CB 2.68Å; A760-S763 PolarHBondContact O-N 3.31Å; S763-C766 PolarHBondContact O-N 2.81Å; S763-Q767 WeakPolarHBondContact O-CB 2.99Å; S763-Q767 VanDerWaalsContact O-CG 3.31Å; S763-Q767 WeakPolarHBondContact O-CG 3.26Å; S763-Q767 PolarHBondContact O-N 3.38Å; S763-Q767 PolarHBondContact O-NE2 3.33Å; S763-Q767 VanDerWaalsContact O-NE2 3.12Å; S763-Q767 PolarHBondContact OG-NE2 2.79Å |
| 764 | T | 78.5 | Confident | 63.4 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 45% | 0.454 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | A760 A761 C766 Q767 N768 | A760-T764 PolarHBondContact O-N 3.19Å; A760-T764 PolarHBondContact O-OG1 3.49Å; A760-T764 VanDerWaalsContact O-OG1 3.05Å; A761-T764 PolarHBondContact O-N 3.33Å; T764-C766 PolarHBondContact O-N 3.43Å; T764-Q767 PolarHBondContact O-N 3.04Å; T764-N768 WeakPolarHBondContact O-CB 3.14Å; T764-N768 PolarHBondContact O-N 2.72Å; T764-N768 PolarHBondContact O-OD1 2.82Å |
| 765 | A | 68.6 | Low | 63.2 | Low | 56 Ų | 56 | 82 Ų | 82 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A761 L762 N768 M769 | A761-A765 VanDerWaalsContact O-CB 3.31Å; A761-A765 WeakPolarHBondContact O-CB 3.38Å; A761-A765 PolarHBondContact O-N 2.96Å; L762-A765 PolarHBondContact O-N 3.3Å; A765-N768 PolarHBondContact O-N 3.08Å; A765-M769 WeakPolarHBondContact O-CB 3.23Å; A765-M769 PolarHBondContact O-N 3.43Å |
| 766 | C | 68.6 | Low | 62.7 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 47% | 0.473 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.6 | -169.8 | 0 | 0 | 0 | 0 | 112 | L762 S763 T764 N768 M769 I770 | L762-C766 VanDerWaalsContact O-CB 3.28Å; L762-C766 WeakPolarHBondContact O-CB 3.44Å; L762-C766 PolarHBondContact O-N 3.27Å; S763-C766 PolarHBondContact O-N 2.81Å; T764-C766 PolarHBondContact O-N 3.43Å; C766-N768 PolarHBondContact O-N 2.85Å; C766-M769 PolarHBondContact O-N 3.04Å; C766-I770 VanDerWaalsContact O-CG1 3.31Å; C766-I770 WeakPolarHBondContact O-CG1 3.32Å; C766-I770 PolarHBondContact O-N 3.28Å |
| 767 | Q | 68.2 | Low | 62.3 | Low | 114 Ų | 114 | 84.4 Ų | 84.4 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.9 | -77.1 | 170 | 76.5 | 0 | 0 | 112.5 | S763 T764 I770 A771 | S763-Q767 WeakPolarHBondContact O-CB 2.99Å; S763-Q767 VanDerWaalsContact O-CG 3.31Å; S763-Q767 WeakPolarHBondContact O-CG 3.26Å; S763-Q767 PolarHBondContact O-N 3.38Å; S763-Q767 PolarHBondContact O-NE2 3.33Å; S763-Q767 VanDerWaalsContact O-NE2 3.12Å; S763-Q767 PolarHBondContact OG-NE2 2.79Å; T764-Q767 PolarHBondContact O-N 3.04Å; Q767-I770 PolarHBondContact O-N 3.42Å; Q767-A771 WeakPolarHBondContact O-CB 3.27Å; Q767-A771 PolarHBondContact O-N 2.94Å |
| 768 | N | 66.5 | Low | 61.6 | Low | 97 Ų | 97 | 86.3 Ų | 86.3 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 176.2 | -71.7 | -3.6 | 0 | 0 | 0 | 111.5 | T764 A765 C766 A771 S772 | T764-N768 WeakPolarHBondContact O-CB 3.14Å; T764-N768 PolarHBondContact O-N 2.72Å; T764-N768 PolarHBondContact O-OD1 2.82Å; A765-N768 PolarHBondContact O-N 3.08Å; C766-N768 PolarHBondContact O-N 2.85Å; N768-A771 PolarHBondContact O-N 3.12Å; N768-S772 WeakPolarHBondContact O-CB 3.45Å; N768-S772 PolarHBondContact O-N 3.43Å; N768-S772 PolarHBondContact O-OG 3Å; N768-S772 VanDerWaalsContact O-OG 3.1Å |
| 769 | M | 72.4 | Confident | 60.7 | Low | 133 Ų | 133 | 90.2 Ų | 90.2 | 66% | 0.655 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -43.7 | 173.1 | -174.3 | -180 | -73.1 | 0 | 0 | 111.6 | A765 C766 A771 S772 L773 | A765-M769 WeakPolarHBondContact O-CB 3.23Å; A765-M769 PolarHBondContact O-N 3.43Å; C766-M769 PolarHBondContact O-N 3.04Å; M769-A771 VanDerWaalsContact C-N 3.34Å; M769-A771 PolarHBondContact O-N 3.45Å; M769-S772 PolarHBondContact O-N 2.98Å; M769-L773 HydrophobicContact CG-CD1 4.45Å; M769-L773 WeakPolarHBondContact O-CG 3.39Å; M769-L773 PolarHBondContact O-N 3.1Å |
| 770 | I | 65.3 | Low | 59 | Low | 45 Ų | 45 | 88.9 Ų | 88.9 | 23% | 0.231 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -63.1 | -38.7 | 174.8 | -70.8 | 164.4 | 0 | 0 | 0 | 111.6 | C766 Q767 L773 L778 | C766-I770 VanDerWaalsContact O-CG1 3.31Å; C766-I770 WeakPolarHBondContact O-CG1 3.32Å; C766-I770 PolarHBondContact O-N 3.28Å; Q767-I770 PolarHBondContact O-N 3.42Å; I770-L773 PolarHBondContact O-N 2.87Å; I770-L778 HydrophobicContact CG2-CB 4.16Å; I770-L778 HydrophobicContact CG2-CD1 4.08Å |
| 771 | A | 54.2 | Low | 57.8 | Low | 73 Ų | 73 | 91.6 Ų | 91.6 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q767 N768 M769 L773 G774 | Q767-A771 WeakPolarHBondContact O-CB 3.27Å; Q767-A771 PolarHBondContact O-N 2.94Å; N768-A771 PolarHBondContact O-N 3.12Å; M769-A771 VanDerWaalsContact C-N 3.34Å; M769-A771 PolarHBondContact O-N 3.45Å; A771-L773 PolarHBondContact O-N 3.26Å; A771-G774 PolarHBondContact O-N 3.36Å; A771-G774 VanDerWaalsContact O-N 3.09Å |
| 772 | S | 52.7 | Low | 56.3 | Low | 109 Ų | 109 | 97 Ų | 97 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -25.3 | 174.7 | -64 | 0 | 0 | 0 | 0 | 113.4 | N768 M769 G774 | N768-S772 WeakPolarHBondContact O-CB 3.45Å; N768-S772 PolarHBondContact O-N 3.43Å; N768-S772 PolarHBondContact O-OG 3Å; N768-S772 VanDerWaalsContact O-OG 3.1Å; M769-S772 PolarHBondContact O-N 2.98Å; S772-G774 PolarHBondContact O-N 3.32Å |
| 773 | L | 55.8 | Low | 53.6 | Low | 133 Ų | 133 | 98.8 Ų | 98.8 | 70% | 0.696 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 4.7 | 173.6 | -71.3 | 167.7 | 0 | 0 | 0 | 113.8 | M769 I770 A771 A775 | M769-L773 HydrophobicContact CG-CD1 4.45Å; M769-L773 WeakPolarHBondContact O-CG 3.39Å; M769-L773 PolarHBondContact O-N 3.1Å; I770-L773 PolarHBondContact O-N 2.87Å; A771-L773 PolarHBondContact O-N 3.26Å; L773-A775 VanDerWaalsContact C-N 3.26Å; L773-A775 PolarHBondContact O-N 2.94Å; L773-A775 VanDerWaalsContact O-N 3.13Å |
| 774 | G | 48.6 | Very low | 51.9 | Low | 64 Ų | 64 | 105 Ų | 105 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | 13.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A771 S772 P776 | A771-G774 PolarHBondContact O-N 3.36Å; A771-G774 VanDerWaalsContact O-N 3.09Å; S772-G774 PolarHBondContact O-N 3.32Å; G774-P776 VanDerWaalsContact O-CD 3.26Å; G774-P776 WeakPolarHBondContact O-CD 3.26Å |
| 775 | A | 40.8 | Very low | 49.8 | Very low | 48 Ų | 48 | 110 Ų | 110 | 40% | 0.397 | 62% | 0.622 | S | S | . | * | | | trans | -102.4 | 95.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L773 N777 | L773-A775 VanDerWaalsContact C-N 3.26Å; L773-A775 PolarHBondContact O-N 2.94Å; L773-A775 VanDerWaalsContact O-N 3.13Å; A775-N777 PolarHBondContact O-N 2.91Å |
| 776 | P | 43.6 | Very low | 48 | Very low | 107 Ų | 107 | 114 Ų | 114 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 25 | -163.8 | 34.4 | -39.9 | 0 | 0 | 0 | 115.6 | G774 | G774-P776 VanDerWaalsContact O-CD 3.26Å; G774-P776 WeakPolarHBondContact O-CD 3.26Å |
| 777 | N | 43.7 | Very low | 46 | Very low | 128 Ų | 128 | 118 Ų | 118 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.6 | 46.8 | -174.3 | -92.6 | -45.9 | 0 | 0 | 0 | 114.8 | A775 | A775-N777 PolarHBondContact O-N 2.91Š|
| 778 | L | 43.9 | Very low | 44.3 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | | | trans | -98.9 | 88.1 | 165.4 | -69.7 | -176.8 | 0 | 0 | 0 | 111.4 | I770 V780 | I770-L778 HydrophobicContact CG2-CB 4.16Å; I770-L778 HydrophobicContact CG2-CD1 4.08Å; L778-V780 PolarHBondContact O-N 3.49Å |
| 779 | N | 40.8 | Very low | 42.6 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | | | trans | -82.5 | 76.4 | -176.4 | -172 | 87.5 | 0 | 0 | 0 | 112.4 | T781 | N779-T781 PolarHBondContact O-N 2.84Š|
| 780 | V | 38.8 | Very low | 41 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 58% | 0.576 | 69% | 0.685 | S | S | * | * | | | trans | -78.7 | 82.6 | -179.4 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | L778 F782 | L778-V780 PolarHBondContact O-N 3.49Å; V780-F782 HydrophobicContact CG1-CD2 4.33Å; V780-F782 HydrophobicContact CG1-CE2 3.97Å; V780-F782 HydrophobicContact CG1-CZ 4.3Å; V780-F782 PolarHBondContact O-N 3.43Å |
| 781 | T | 39.9 | Very low | 39.5 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | | | trans | -78 | 103.3 | 171.6 | 41.5 | 0 | 0 | 0 | 0 | 111.8 | N779 N783 | N779-T781 PolarHBondContact O-N 2.84Å; T781-N783 PolarHBondContact O-N 2.93Å |
| 782 | F | 35.1 | Very low | 39 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | -63.9 | 96.6 | 171.7 | -76.3 | -86 | 0 | 0 | 0 | 111.7 | V780 K784 | V780-F782 HydrophobicContact CG1-CD2 4.33Å; V780-F782 HydrophobicContact CG1-CE2 3.97Å; V780-F782 HydrophobicContact CG1-CZ 4.3Å; V780-F782 PolarHBondContact O-N 3.43Å; F782-K784 VanDerWaalsContact C-N 3.33Å; F782-K784 PolarHBondContact O-N 3.37Å |
| 783 | N | 28 | Very low | 38.1 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | -76.9 | 77 | -177.1 | -167.6 | 30.9 | 0 | 0 | 0 | 112.1 | T781 K785 | T781-N783 PolarHBondContact O-N 2.93Å; N783-K785 PolarHBondContact O-N 2.94Å |
| 784 | K | 36.5 | Very low | 36.7 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -68 | 93.1 | -178.9 | -173.8 | 176 | 179.7 | 176.4 | 0 | 111.6 | F782 N786 | F782-K784 VanDerWaalsContact C-N 3.33Å; F782-K784 PolarHBondContact O-N 3.37Å; K784-N786 VanDerWaalsContact C-N 3.32Å; K784-N786 PolarHBondContact O-N 3.5Å |
| 785 | K | 35.2 | Very low | 35.7 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | | | trans | -65.5 | 83.3 | 171.3 | -175.4 | -164.2 | 172.8 | -173.6 | 0 | 111.3 | N783 | N783-K785 PolarHBondContact O-N 2.94Š|
| 786 | N | 29.5 | Very low | 35 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | -97.1 | 140 | 154.1 | -91 | 8.9 | 0 | 0 | 0 | 109.2 | K784 | K784-N786 VanDerWaalsContact C-N 3.32Å; K784-N786 PolarHBondContact O-N 3.5Å |
| 787 | Q | 27.8 | Very low | 34.4 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -110.7 | 140.4 | -173.1 | -178.7 | 175.1 | -8.9 | 0 | 0 | 109.9 | | |
| 788 | N | 30.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | 57.5 | 111 | -178 | -71 | 7.1 | 0 | 0 | 0 | 116.3 | | |
| 789 | E | 31.9 | Very low | 33.2 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | | | | -145 | 152.1 | 108.8 | -117 | 170.4 | -170.7 | 0 | 0 | 110.4 | | |
| 790 | G | 38.1 | Very low | 32.5 | Very low | 75 Ų | 75 | 154.3 Ų | 154.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -90.3 | 138.2 | -159.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R792 | G790-R792 PolarHBondContact O-N 3.49Š|
| 791 | K | 34.6 | Very low | 32.2 | Very low | 212 Ų | 212 | 156.2 Ų | 156.2 | 92% | 0.922 | 78% | 0.776 | S | S | * | * | | | trans | -62.8 | 121.5 | 168 | -67.5 | 179 | -179.6 | 176.3 | 0 | 111 | | |
| 792 | R | 42.5 | Very low | 31.5 | Very low | 250 Ų | 250 | 157.5 Ų | 157.5 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | | | trans | -144.9 | 159.1 | 142.3 | -111.9 | -178.5 | -73.9 | -145.7 | 3.4 | 109.5 | G790 | G790-R792 PolarHBondContact O-N 3.49Š|
| 793 | K | 33.8 | Very low | 31 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | | | trans | -109 | 159.8 | -169.6 | -74 | -173 | 170.8 | -171.6 | 0 | 112.2 | | |
| 794 | L | 26.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 84.9 | 135 | 144 | -135.2 | 74.3 | 0 | 0 | 0 | 118.5 | | |
| 795 | S | 26.9 | Very low | 30.5 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | trans | 51 | 142.6 | 141.3 | 54 | 0 | 0 | 0 | 0 | 121.8 | | |
| 796 | Q | 27.9 | Very low | 30.2 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | cis | -173.3 | 150.8 | -14.3 | -172.4 | -177.5 | -14.7 | 0 | 0 | 108.6 | | |
| 797 | T | 31.1 | Very low | 30.3 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | 64.3 | -179.1 | 164.4 | 26.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 798 | E | 32.4 | Very low | 30.4 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | -114.6 | 178.7 | -141.1 | -70 | 162.9 | 101.6 | 0 | 0 | 115.9 | | |
| 799 | Q | 28.4 | Very low | 30.3 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | -41 | 162.8 | 171.3 | -75.7 | 172.6 | -80.3 | 0 | 0 | 117 | | |
| 800 | D | 27.5 | Very low | 30.2 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | | | cis | -160.9 | 171 | 11 | -129.5 | -30.8 | 0 | 0 | 0 | 116.1 | | |
| 801 | I | 31.2 | Very low | 29.8 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | trans | 66.4 | 125.2 | 145.2 | -73.7 | 158.7 | 0 | 0 | 0 | 123.3 | | |
| 802 | N | 25.8 | Very low | 29.4 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | | | trans | 82.1 | 105.8 | 149.1 | -95.6 | -32.8 | 0 | 0 | 0 | 125.4 | | |
| 803 | S | 24.5 | Very low | 29.2 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | | 78 | 141.6 | 117.1 | -71.5 | 0 | 0 | 0 | 0 | 125.3 | | |
| 804 | S | 26.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | | | trans | 81 | 104.2 | 151.9 | 25.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 805 | T | 27.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | | | | 73.4 | 126.2 | 126.6 | 53.8 | 0 | 0 | 0 | 0 | 125.5 | | |
| 806 | S | 30.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | | | trans | 75.1 | 114 | 131.2 | 63.4 | 0 | 0 | 0 | 0 | 125.6 | | |
| 807 | N | 29.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | | | | 30 | 149.5 | 125.9 | -72.6 | 20.2 | 0 | 0 | 0 | 125.3 | S820 | N807-S820 CarbonylContact C-O 3.56Š|
| 808 | G | 31.6 | Very low | 29.4 | Very low | 32 Ų | 32 | 124.2 Ų | 124.2 | 33% | 0.33 | 72% | 0.723 | S | S | . | * | | | trans | 131.2 | 95.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | S819 S820 A821 | G808-S819 CarbonylContact O-C 3.6Å; G808-S820 CarbonylContact C-O 3.28Å; G808-S820 PolarHBondContact N-O 2.89Å; G808-S820 CarbonylContact O-C 2.99Å; G808-S820 VanDerWaalsContact O-CA 3.32Å; G808-S820 WeakPolarHBondContact O-CA 3.42Å; G808-S820 PolarHBondContact O-N 3.28Å; G808-A821 PolarHBondContact N-O 2.87Å; G808-A821 PolarHBondContact O-N 2.94Å |
| 809 | T | 28.9 | Very low | 29 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | | | trans | -74.3 | 151.1 | 176.3 | 4.4 | 0 | 0 | 0 | 0 | 114.6 | S822 | T809-S822 VanDerWaalsContact OG1-C 3.31Å; T809-S822 WeakPolarHBondContact OG1-CA 3.33Å; T809-S822 VanDerWaalsContact OG1-CB 3.26Å; T809-S822 WeakPolarHBondContact OG1-CB 3.31Å; T809-S822 PolarHBondContact OG1-N 2.91Å; T809-S822 PolarHBondContact OG1-O 3.41Å |
| 810 | G | 28.5 | Very low | 29 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | | | trans | -175.5 | 144.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 811 | S | 30.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 113.8 Ų | 113.8 | 92% | 0.923 | 70% | 0.7 | S | S | * | * | | | trans | -107.3 | 128.2 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 812 | A | 26.6 | Very low | 28.8 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | | | trans | -156.6 | 134.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 813 | G | 38.3 | Very low | 28.8 | Very low | 77 Ų | 77 | 112.7 Ų | 112.7 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | | | trans | -86.1 | 127.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 814 | P | 34.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 114.6 Ų | 114.6 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | S | Bend | | -121.2 | -151 | 71.2 | 41 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 815 | E | 28.8 | Very low | 28.9 | Very low | 159 Ų | 159 | 114.1 Ų | 114.1 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -64.7 | 152.3 | 178.9 | -61.9 | 90.3 | 153.9 | 0 | 0 | 114 | | |
| 816 | Y | 29.2 | Very low | 28.8 | Very low | 206 Ų | 206 | 116.9 Ų | 116.9 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | | | trans | 81.3 | 124.1 | 168.6 | -69.5 | -86.4 | 0 | 0 | 0 | 121 | | |
| 817 | F | 30.2 | Very low | 28.8 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | | | trans | 68.9 | 116.1 | 155.6 | -68.8 | -68.8 | 0 | 0 | 0 | 124 | | |
| 818 | Q | 26.1 | Very low | 29.3 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | | | trans | 60.4 | 114.5 | 138.3 | -75.1 | -179.2 | -28.2 | 0 | 0 | 124.9 | | |
| 819 | S | 24.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | | 68.4 | 150.4 | 127.3 | -56.8 | 0 | 0 | 0 | 0 | 123 | G808 | G808-S819 CarbonylContact O-C 3.6Š|
| 820 | S | 28.6 | Very low | 29.2 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 43% | 0.427 | 73% | 0.729 | S | S | . | * | | | cis | -174 | 106.4 | -28.9 | 51.4 | 0 | 0 | 0 | 0 | 115.9 | N807 G808 | N807-S820 CarbonylContact C-O 3.56Å; G808-S820 CarbonylContact C-O 3.28Å; G808-S820 PolarHBondContact N-O 2.89Å; G808-S820 CarbonylContact O-C 2.99Å; G808-S820 VanDerWaalsContact O-CA 3.32Å; G808-S820 WeakPolarHBondContact O-CA 3.42Å; G808-S820 PolarHBondContact O-N 3.28Å |
| 821 | A | 29.1 | Very low | 29.2 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 58% | 0.579 | 72% | 0.715 | S | S | * | * | | | trans | 72 | 124 | 158.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | G808 | G808-A821 PolarHBondContact N-O 2.87Å; G808-A821 PolarHBondContact O-N 2.94Å |
| 822 | S | 26.2 | Very low | 29.3 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 47% | 0.469 | 69% | 0.692 | S | S | . | * | | | trans | 175.7 | 141.6 | 161.4 | -83.5 | 0 | 0 | 0 | 0 | 117.2 | T809 | T809-S822 VanDerWaalsContact OG1-C 3.31Å; T809-S822 WeakPolarHBondContact OG1-CA 3.33Å; T809-S822 VanDerWaalsContact OG1-CB 3.26Å; T809-S822 WeakPolarHBondContact OG1-CB 3.31Å; T809-S822 PolarHBondContact OG1-N 2.91Å; T809-S822 PolarHBondContact OG1-O 3.41Å |
| 823 | Q | 25.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 116.6 Ų | 116.6 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | | | trans | 12.2 | 133.2 | 160.3 | -67.5 | -165 | 1.2 | 0 | 0 | 127.8 | | |
| 824 | N | 25.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 118.1 Ų | 118.1 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | | | | 79.8 | 128.5 | 124.6 | -167.2 | 25.3 | 0 | 0 | 0 | 123.9 | | |
| 825 | S | 26.6 | Very low | 28.9 | Very low | 93 Ų | 93 | 116.7 Ų | 116.7 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | | | trans | 67.2 | 152.7 | 163.3 | -70.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 826 | Q | 25 | Very low | 28.8 | Very low | 186 Ų | 186 | 114.7 Ų | 114.7 | 87% | 0.869 | 65% | 0.645 | S | S | * | * | | | cis | -149.9 | 172.8 | 8.7 | -133.4 | 160.3 | -1.1 | 0 | 0 | 111.2 | | |
| 827 | M | 31.4 | Very low | 29.2 | Very low | 178 Ų | 178 | 109.9 Ų | 109.9 | 88% | 0.877 | 64% | 0.639 | S | S | * | * | | | trans | -79.6 | 175 | 176.8 | -65.5 | -141.1 | -58.9 | 0 | 0 | 113.3 | | |
| 828 | P | 39.8 | Very low | 29.1 | Very low | 125 Ų | 125 | 105 Ų | 105 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | | | cis | -125.8 | -163.5 | 3.5 | 44.2 | -27.7 | 0 | 0 | 0 | 113.4 | | |
| 829 | G | 27.9 | Very low | 29.2 | Very low | 58 Ų | 58 | 101.6 Ų | 101.6 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | | | cis | 139 | 154.9 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 830 | T | 29.1 | Very low | 29.4 | Very low | 113 Ų | 113 | 102.7 Ų | 102.7 | 69% | 0.693 | 61% | 0.612 | S | S | * | * | | | trans | 71.7 | 147 | 176 | 68.4 | 0 | 0 | 0 | 0 | 119.7 | S58 | S58-T830 CarbonylContact O-C 2.8Š|
| 831 | G | 30.3 | Very low | 29.3 | Very low | 43 Ų | 43 | 101.3 Ų | 101.3 | 44% | 0.443 | 60% | 0.603 | S | S | . | * | | | trans | -171.7 | -29.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | S58 Q59 | S58-G831 PolarHBondContact O-N 3.45Å; Q59-G831 PolarHBondContact NE2-O 2.97Å |
| 832 | N | 31.2 | Very low | 29.1 | Very low | 80 Ų | 80 | 106 Ų | 106 | 43% | 0.428 | 61% | 0.613 | S | S | . | * | | | trans | 78 | 152.8 | 168.4 | -139.7 | -5.8 | 0 | 0 | 0 | 121.1 | S58 Q59 | S58-N832 VanDerWaalsContact C-N 3.31Å; S58-N832 PolarHBondContact O-N 3.09Å; S58-N832 VanDerWaalsContact OG-CB 3.32Å; S58-N832 WeakPolarHBondContact OG-CB 3.46Å; S58-N832 VanDerWaalsContact OG-CG 3.3Å; S58-N832 PolarHBondContact OG-ND2 3.28Å; Q59-N832 VanDerWaalsContact CA-CA 3.47Å; Q59-N832 VanDerWaalsContact CA-N 3.31Å; Q59-N832 PolarHBondContact NE2-O 3.47Å |
| 833 | S | 31.6 | Very low | 29 | Very low | 57 Ų | 57 | 108.4 Ų | 108.4 | 40% | 0.399 | 63% | 0.625 | S | S | . | * | | | trans | 32.1 | 150.4 | 154.2 | 65.4 | 0 | 0 | 0 | 0 | 123.2 | M60 | M60-S833 WeakPolarHBondContact CE-O 3.44Å; M60-S833 WeakPolarHBondContact CG-O 3.44Å |
| 834 | N | 29.5 | Very low | 29 | Very low | 109 Ų | 109 | 104.9 Ų | 104.9 | 58% | 0.583 | 62% | 0.616 | S | S | * | * | | | cis | -161.9 | 166.7 | 18.4 | -160.5 | 0.6 | 0 | 0 | 0 | 113.9 | L61 | L61-N834 HydrophobicContact CD1-CB 4.49Å; L61-N834 WeakPolarHBondContact CD1-OD1 3.06Å |
| 835 | S | 31 | Very low | 29 | Very low | 78 Ų | 78 | 107.3 Ų | 107.3 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | | | trans | 54.6 | 101.8 | 147.4 | 58 | 0 | 0 | 0 | 0 | 124.3 | | |
| 836 | K | 25.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 106 Ų | 106 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | | | | 6.9 | 155.4 | 122.6 | -54.1 | 178.2 | -168.3 | -164.4 | 0 | 119.4 | G62 L63 N64 | G62-K836 VanDerWaalsContact O-CG 3.27Å; G62-K836 WeakPolarHBondContact O-CG 3.02Å; L63-K836 WeakPolarHBondContact O-CE 3.28Å; L63-K836 PolarHBondContact O-NZ 3.47Å; N64-K836 HydrophobicContact CB-CD 4.07Å |
| 837 | P | 37.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 106 Ų | 106 | 68% | 0.682 | 62% | 0.624 | S | S | * | * | | | cis | -150.6 | 180 | 29.4 | 44.1 | -23.7 | 0 | 0 | 0 | 120.1 | | |
| 838 | V | 27.8 | Very low | 29.2 | Very low | 76 Ų | 76 | 102.1 Ų | 102.1 | 46% | 0.461 | 62% | 0.619 | S | S | . | * | | | trans | 83.7 | 95.9 | 142.8 | 155.1 | 0 | 0 | 0 | 0 | 121.6 | N66 | N66-V838 HydrophobicContact CB-CB 3.85Å; N66-V838 HydrophobicContact CB-CG1 3.78Å; N66-V838 HydrophobicContact CB-CG2 3.46Å; N66-V838 VanDerWaalsContact CB-CG2 3.46Å |
| 839 | S | 28.3 | Very low | 28.7 | Very low | 94 Ų | 94 | 101.6 Ų | 101.6 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | | | trans | -162.3 | 149.7 | 163.6 | -33.1 | 0 | 0 | 0 | 0 | 115.1 | N66 M67 | N66-S839 VanDerWaalsContact C-CA 3.46Å; N66-S839 CarbonylContact C-O 3.2Å; N66-S839 VanDerWaalsContact C-O 3.28Å; N66-S839 PolarHBondContact N-O 2.65Å; N66-S839 CarbonylContact O-C 3.18Å; M67-S839 VanDerWaalsContact N-C 3.34Å |
| 840 | Q | 29.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 102.9 Ų | 102.9 | 59% | 0.593 | 62% | 0.624 | S | S | * | * | | | trans | -142 | 170.3 | 178.9 | -94.5 | -138.5 | 66.7 | 0 | 0 | 108.5 | N66 M67 N68 | N66-Q840 WeakPolarHBondContact O-CA 3.37Å; N66-Q840 WeakPolarHBondContact O-CB 3.45Å; N66-Q840 WeakPolarHBondContact O-CG 3.16Å; N66-Q840 PolarHBondContact O-N 3.42Å; M67-Q840 PolarHBondContact O-N 3.01Å; N68-Q840 PolarHBondContact N-O 3.02Å |
| 841 | S | 25.4 | Very low | 28.9 | Very low | 32 Ų | 32 | 104.9 Ų | 104.9 | 22% | 0.224 | 63% | 0.629 | C | S | . | * | | | | 89.5 | 116.3 | 122.6 | 49.1 | 0 | 0 | 0 | 0 | 118.7 | N68 | N68-S841 VanDerWaalsContact CA-OG 3.26Å; N68-S841 WeakPolarHBondContact CA-OG 3.42Å; N68-S841 PolarHBondContact N-OG 3.11Å; N68-S841 PolarHBondContact OD1-OG 3.41Å |
| 842 | Q | 25.3 | Very low | 28.7 | Very low | 168 Ų | 168 | 107.9 Ų | 107.9 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | | | trans | 66.1 | 120.2 | 151 | -64.6 | -176.2 | -7.4 | 0 | 0 | 113.1 | | |
| 843 | T | 25.6 | Very low | 29.4 | Very low | 118 Ų | 118 | 109 Ų | 109 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | | | cis | -167.2 | 173.8 | 16 | -9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 844 | V | 25.5 | Very low | 29.2 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | | | trans | 74.4 | 129.4 | 139.9 | 159.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 845 | Q | 24.8 | Very low | 29.1 | Very low | 188 Ų | 188 | 117.9 Ų | 117.9 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | | | trans | 64.9 | 169.5 | 153.7 | -77.3 | 164.8 | -21.2 | 0 | 0 | 120.8 | | |
| 846 | G | 29.5 | Very low | 28.9 | Very low | 65 Ų | 65 | 120 Ų | 120 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | | | trans | 79.8 | 69.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 847 | E | 27.4 | Very low | 29 | Very low | 188 Ų | 188 | 121.7 Ų | 121.7 | 88% | 0.879 | 70% | 0.702 | S | S | * | * | | | | 56.1 | 135 | 72.2 | -61.6 | -148.8 | 142.6 | 0 | 0 | 116.3 | | |
| 848 | A | 30 | Very low | 28.7 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | | | trans | 54.5 | 84.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 849 | S | 29.2 | Very low | 28.8 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | | -172.3 | 137.9 | 116.1 | -81.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 850 | A | 29.1 | Very low | 29.2 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | | | cis | 64.8 | 119.8 | 49.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 851 | L | 31.6 | Very low | 29.8 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | cis | -133.4 | 154.6 | 4.2 | -68.2 | 170.4 | 0 | 0 | 0 | 106.7 | | |
| 852 | S | 27.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | | 44.4 | 146.5 | 70.8 | -62.1 | 0 | 0 | 0 | 0 | 115 | | |
| 853 | P | 44 | Very low | 30.5 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | cis | -132 | 175.6 | -17.8 | 40.1 | -24.9 | 0 | 0 | 0 | 113.5 | | |
| 854 | N | 28.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -147.5 | 156.4 | 135.9 | -142.1 | -11.4 | 0 | 0 | 0 | 113.7 | | |
| 855 | Y | 27.2 | Very low | 31.2 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -110.8 | 166.9 | 176.8 | -75.5 | -96.2 | 0 | 0 | 0 | 107 | | |
| 856 | N | 26.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | | | cis | -177.7 | 155 | -10.7 | 162.7 | 53.8 | 0 | 0 | 0 | 106.9 | | |
| 857 | M | 28.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | 65.7 | 164.1 | -176.9 | -58.9 | -54.5 | -177.3 | 0 | 0 | 113.9 | | |
| 858 | D | 30.5 | Very low | 31.7 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | cis | -145 | -159.1 | 27.2 | -141.9 | -73 | 0 | 0 | 0 | 115.4 | | |
| 859 | A | 31 | Very low | 31.9 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -81.7 | 163 | -151.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 860 | T | 35.8 | Very low | 32.1 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -84.5 | 143.9 | 169.2 | 39.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 861 | P | 42.2 | Very low | 32.3 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -105.4 | 162.3 | 143.7 | 35.6 | -27.8 | 0 | 0 | 0 | 111.6 | | |
| 862 | C | 32 | Very low | 32.6 | Very low | 130 Ų | 130 | 128 Ų | 128 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -107 | 151.2 | -178.3 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 863 | S | 34.1 | Very low | 33.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -145.2 | 163.4 | 157.5 | 59.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 864 | E | 33.2 | Very low | 33.1 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | | | trans | -115.1 | 137.1 | -157.7 | -175.4 | 178.9 | 168.1 | 0 | 0 | 112.1 | | |
| 865 | G | 31.8 | Very low | 33.5 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -179.1 | 47.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 866 | K | 28.8 | Very low | 33.9 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | 50.9 | 133.4 | 149.3 | -156.3 | 177.3 | -176 | 176.4 | 0 | 121.4 | | |
| 867 | A | 31 | Very low | 34.8 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 83% | 0.829 | S | S | * | * | | | trans | 98.2 | 131.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 868 | T | 33.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 77% | 0.767 | 84% | 0.838 | S | S | * | * | | | trans | 62.7 | 124.5 | 149.4 | 39.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 869 | T | 34.2 | Very low | 36 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 87% | 0.865 | 84% | 0.842 | S | S | * | * | | | trans | 53.6 | 110.3 | 147 | 56.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 870 | G | 33.4 | Very low | 36.4 | Very low | 77 Ų | 77 | 153.1 Ų | 153.1 | 79% | 0.794 | 85% | 0.85 | S | S | * | * | | | trans | -174.2 | 119.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 871 | S | 33.8 | Very low | 36.2 | Very low | 132 Ų | 132 | 153 Ų | 153 | 92% | 0.923 | 85% | 0.845 | S | S | * | * | | | trans | -59.6 | 133 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 872 | G | 38.4 | Very low | 35.8 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -69.1 | 172.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 873 | R | 43.7 | Very low | 35.8 | Very low | 256 Ų | 256 | 145.5 Ų | 145.5 | 97% | 0.966 | 80% | 0.804 | S | S | * | * | | | trans | -169.7 | 120.2 | 150.1 | -95.7 | 149.2 | -163 | -110.7 | 5.8 | 107.9 | | |
| 874 | G | 37.1 | Very low | 35.9 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 178.5 | 85.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 875 | R | 36.6 | Very low | 35.9 | Very low | 259 Ų | 259 | 143 Ų | 143 | 98% | 0.977 | 78% | 0.784 | S | S | * | * | | | trans | 36 | 119.2 | 143 | -52.6 | 178.9 | -175.7 | -154.4 | 1.1 | 119.2 | | |
| 876 | G | 35.8 | Very low | 35.9 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -170.8 | 73.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 877 | R | 44.8 | Very low | 36.6 | Very low | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | trans | -66.5 | 128.8 | 163.2 | -97.1 | -177.2 | 163.1 | -162.5 | -3.6 | 110.1 | | |
| 878 | R | 43.6 | Very low | 36.6 | Very low | 252 Ų | 252 | 140.4 Ų | 140.4 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | | | trans | -170.1 | 141.2 | 139.2 | -99.7 | 143 | -160.1 | -133.8 | 2 | 111.1 | | |
| 879 | K | 42.1 | Very low | 36.8 | Very low | 205 Ų | 205 | 142 Ų | 142 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | -67.4 | 143 | 169.6 | -72.6 | -173.9 | 172.6 | -170 | 0 | 110.2 | | |
| 880 | R | 38.4 | Very low | 36.6 | Very low | 224 Ų | 224 | 145.6 Ų | 145.6 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -163.9 | 157.9 | 132.4 | -107.6 | -176.5 | -94.5 | 167.6 | -9.8 | 108.9 | | |
| 881 | D | 32 | Very low | 36.4 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | | | cis | 158.9 | 122.7 | -28.4 | -166.6 | -95.8 | 0 | 0 | 0 | 106.4 | | |
| 882 | S | 34.5 | Very low | 36.1 | Very low | 45 Ų | 45 | 148.5 Ų | 148.5 | 32% | 0.315 | 77% | 0.774 | S | S | . | * | | | trans | 62.9 | 157.6 | 159.6 | -157.6 | 0 | 0 | 0 | 0 | 122.2 | A1098 | S882-A1098 WeakPolarHBondContact CB-O 3.48Å; S882-A1098 PolarHBondContact OG-O 2.74Å |
| 883 | G | 30.8 | Very low | 35.7 | Very low | 49 Ų | 49 | 146.6 Ų | 146.6 | 51% | 0.505 | 75% | 0.75 | S | S | . | * | | | trans | 92.7 | 132.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 884 | H | 37.8 | Very low | 35.1 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | cis | -137.7 | 134.2 | 9.4 | -70.7 | -99.5 | 0 | 0 | 0 | 109.3 | | |
| 885 | V | 32.9 | Very low | 34.8 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | | | | 60.6 | 111.2 | 84.2 | -177.7 | 0 | 0 | 0 | 0 | 114.4 | M1099 | V885-M1099 HydrophobicContact CG2-CE 4.14Å; V885-M1099 HydrophobicContact CG2-CG 4.08Å; V885-M1099 HydrophobicContact CG2-SD 3.94Å |
| 886 | S | 32.2 | Very low | 34.6 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | | | trans | -84.8 | 157.5 | 172.9 | -41.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 887 | P | 42.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | | | trans | -97 | 150 | 151.4 | 35.6 | -28.9 | 0 | 0 | 0 | 111.3 | | |
| 888 | G | 31.3 | Very low | 33.8 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | | | trans | -111.1 | 155.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 889 | I | 37 | Very low | 33.2 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 82% | 0.815 | 67% | 0.674 | S | S | * | * | | | trans | 14.5 | 119.2 | 149.1 | 38.2 | 171.1 | 0 | 0 | 0 | 119.3 | | |
| 890 | F | 30.3 | Very low | 32.7 | Very low | 215 Ų | 215 | 117.8 Ų | 117.8 | 94% | 0.943 | 67% | 0.67 | S | S | * | * | | | | -155.8 | 147.1 | 126.4 | -102.1 | -72.5 | 0 | 0 | 0 | 110.1 | | |
| 891 | F | 29.3 | Very low | 32.4 | Very low | 196 Ų | 196 | 112.3 Ų | 112.3 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | | | trans | -82.5 | 155.8 | 172.1 | -84.6 | -95.3 | 0 | 0 | 0 | 111.5 | | |
| 892 | S | 26.2 | Very low | 33 | Very low | 75 Ų | 75 | 112.5 Ų | 112.5 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | | | | 164.5 | 113.8 | 128.5 | -75.9 | 0 | 0 | 0 | 0 | 114.1 | K922 | S892-K922 WeakPolarHBondContact O-CE 3.28Š|
| 893 | S | 30.8 | Very low | 32.8 | Very low | 28 Ų | 28 | 114.1 Ų | 114.1 | 20% | 0.196 | 70% | 0.697 | C | S | . | * | | | | 134.3 | 130.5 | 105.3 | 176.6 | 0 | 0 | 0 | 0 | 120.6 | K922 H923 | S893-K922 WeakPolarHBondContact OG-CA 3.41Å; S893-H923 WeakPolarHBondContact OG-CA 3.5Å; S893-H923 WeakPolarHBondContact OG-CB 3.28Å |
| 894 | D | 31 | Very low | 33 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 48% | 0.481 | 71% | 0.711 | S | S | . | * | | | trans | 28.6 | 142.2 | 133.7 | -45.6 | -74.6 | 0 | 0 | 0 | 123.2 | E921 K922 H923 | D894-E921 CarbonylContact O-C 3.49Å; D894-E921 WeakPolarHBondContact O-CA 3.34Å; D894-K922 WeakPolarHBondContact O-CA 3.41Å; D894-K922 PolarHBondContact O-N 2.93Å; D894-H923 IonicContact OD2-CD2 3.45Å; D894-H923 PolarHBondContact OD2-CD2 3.38Å |
| 895 | N | 30.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | B | Isolated β-bridge | trans | -75.4 | 158.3 | 163.4 | -57.4 | -37 | 0 | 0 | 0 | 112 | H920 | N895-H920 WeakPolarHBondContact OD1-CA 3.39Å; N895-H920 PolarHBondContact OD1-N 2.9Å |
| 896 | G | 33.7 | Very low | 32.6 | Very low | 41 Ų | 41 | 120.4 Ų | 120.4 | 42% | 0.423 | 72% | 0.717 | S | S | . | * | | | trans | 157.3 | 104.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 897 | N | 30.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 121 Ų | 121 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | | | trans | -132.5 | 96.2 | 166.1 | -173.4 | 11.7 | 0 | 0 | 0 | 111.8 | | |
| 898 | P | 33.3 | Very low | 32.4 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | | | trans | -99.7 | 94 | 175 | 35.1 | -27.9 | 0 | 0 | 0 | 111.6 | | |
| 899 | V | 30.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | | | trans | -91.6 | 103.5 | 162.9 | 174.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 900 | V | 31.7 | Very low | 32.1 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | | | | -155.3 | 146.2 | 115.5 | -146.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 901 | S | 31.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | trans | -95.8 | -168.7 | 165.5 | -48.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 902 | P | 44.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 110.1 Ų | 110.1 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | | | | -108.7 | 153.9 | -111.8 | 34.8 | -19.6 | 0 | 0 | 0 | 115.1 | | |
| 903 | G | 30.7 | Very low | 32.6 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -152.9 | 154 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 904 | Q | 34.6 | Very low | 32.8 | Very low | 169 Ų | 169 | 122.9 Ų | 122.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -104.1 | 162.6 | -174.3 | -50.3 | -176.3 | 12.1 | 0 | 0 | 113.4 | | |
| 905 | Q | 32.4 | Very low | 32.9 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | 76.8 | 113.5 | 152.8 | -68.1 | 165.3 | 45.2 | 0 | 0 | 120.3 | | |
| 906 | T | 29.8 | Very low | 32.9 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | 75.3 | 155.5 | 143.1 | 50.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 907 | P | 44.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -122.1 | 161.6 | -151.4 | 41.7 | -29.8 | 0 | 0 | 0 | 116.8 | | |
| 908 | S | 27.4 | Very low | 33 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -163.1 | 172.5 | 142 | -157 | 0 | 0 | 0 | 0 | 112.4 | | |
| 909 | A | 32.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -90 | 165.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 910 | G | 28.3 | Very low | 33.6 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 167.8 | 107.6 | 164 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 911 | V | 33.3 | Very low | 33.5 | Very low | 157 Ų | 157 | 118 Ų | 118 | 95% | 0.952 | 77% | 0.765 | S | S | * | * | | | trans | -22.8 | 145.8 | 158.2 | 178.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 912 | G | 29.7 | Very low | 33.5 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | | | trans | 169.2 | 119.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 913 | E | 34.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 115.2 Ų | 115.2 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | | | trans | -60.2 | 164.5 | 179.3 | -104.2 | -179.5 | 91.5 | 0 | 0 | 120.6 | | |
| 914 | R | 34.5 | Very low | 32.9 | Very low | 219 Ų | 219 | 118.7 Ų | 118.7 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | | | trans | 82.5 | 156.5 | 149.2 | -72.8 | 160.8 | -159.8 | -115.9 | -9.7 | 121.9 | | |
| 915 | G | 33.2 | Very low | 32.7 | Very low | 82 Ų | 82 | 118 Ų | 118 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | | | trans | 108.4 | 149.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 916 | G | 29.9 | Very low | 32.6 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | | | trans | -167.3 | 139.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 917 | G | 30.1 | Very low | 33 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | trans | 174.4 | 108 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 918 | T | 37.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | trans | -72.5 | 158.8 | 173.2 | 49 | 0 | 0 | 0 | 0 | 111.8 | | |
| 919 | P | 43.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | | | cis | -155.1 | 165.6 | 40.1 | 42 | -20.7 | 0 | 0 | 0 | 120.9 | | |
| 920 | H | 31.2 | Very low | 32.6 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 54% | 0.537 | 71% | 0.711 | S | S | . | * | | | trans | 65.8 | 178.4 | 152.8 | -81.4 | -55 | 0 | 0 | 0 | 118 | N895 | N895-H920 WeakPolarHBondContact OD1-CA 3.39Å; N895-H920 PolarHBondContact OD1-N 2.9Å |
| 921 | E | 30.2 | Very low | 32.7 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.509 | 71% | 0.709 | S | S | . | * | B | Isolated β-bridge | cis | -143.3 | 153.4 | -20.6 | -118.5 | -162.7 | -166.6 | 0 | 0 | 104.9 | D894 | D894-E921 CarbonylContact O-C 3.49Å; D894-E921 WeakPolarHBondContact O-CA 3.34Å |
| 922 | K | 31.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 47% | 0.47 | 70% | 0.703 | S | S | . | * | | | cis | -160.7 | 172.8 | -3.2 | -86.1 | -153.2 | 175.5 | 87.5 | 0 | 106.6 | S892 S893 D894 | S892-K922 WeakPolarHBondContact O-CE 3.28Å; S893-K922 WeakPolarHBondContact OG-CA 3.41Å; D894-K922 WeakPolarHBondContact O-CA 3.41Å; D894-K922 PolarHBondContact O-N 2.93Å |
| 923 | H | 32.6 | Very low | 32.9 | Very low | 75 Ų | 75 | 117.4 Ų | 117.4 | 35% | 0.347 | 70% | 0.7 | S | S | . | * | | | cis | -166.6 | 140.7 | -13.1 | 164.7 | -117.6 | 0 | 0 | 0 | 108.7 | S893 D894 Q925 | S893-H923 WeakPolarHBondContact OG-CA 3.5Å; S893-H923 WeakPolarHBondContact OG-CB 3.28Å; D894-H923 IonicContact OD2-CD2 3.45Å; D894-H923 PolarHBondContact OD2-CD2 3.38Å; H923-Q925 PolarHBondContact NE2-N 3.05Å; H923-Q925 VanDerWaalsContact NE2-N 3.18Å |
| 924 | L | 31.4 | Very low | 33 | Very low | 151 Ų | 151 | 117.3 Ų | 117.3 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | | | trans | -168.6 | 103.6 | 146.4 | -92.2 | -161.5 | 0 | 0 | 0 | 114.8 | | |
| 925 | Q | 29.9 | Very low | 33.1 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | | | trans | -14.6 | 114.5 | 150.5 | -170.3 | 170.1 | 2.1 | 0 | 0 | 121.1 | H923 | H923-Q925 PolarHBondContact NE2-N 3.05Å; H923-Q925 VanDerWaalsContact NE2-N 3.18Å |
| 926 | S | 29.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 117.1 Ų | 117.1 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | | | trans | 69.2 | 168 | 155.1 | -51.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 927 | P | 39.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | | | cis | -133.8 | -171.9 | -2.9 | 44.5 | -28 | 0 | 0 | 0 | 116 | | |
| 928 | S | 29.7 | Very low | 33.9 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | | | trans | 68.3 | 140.3 | 149.7 | -152.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 929 | W | 31.9 | Very low | 34 | Very low | 207 Ų | 207 | 123.5 Ų | 123.5 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | | | trans | -68.4 | 146.8 | 152.3 | -76.3 | 79.5 | 0 | 0 | 0 | 109.9 | E1058 | W929-E1058 VanDerWaalsContact CD1-OE1 3.23Š|
| 930 | G | 34.1 | Very low | 33.3 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | -107.4 | 152.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 931 | K | 31.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -144 | 137.5 | 179.1 | -179 | 175.4 | 179.4 | 173.3 | 0 | 111.2 | V1057 | K931-V1057 HydrophobicContact CD-CG1 4.44Š|
| 932 | G | 32.6 | Very low | 34 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | | | trans | 85.9 | 153 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 933 | G | 34.1 | Very low | 34.7 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | cis | -150 | -164.2 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 934 | D | 35.4 | Very low | 34.6 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | cis | -165.5 | -173 | 5.4 | -122.5 | -59.4 | 0 | 0 | 0 | 110.4 | | |
| 935 | L | 37.3 | Very low | 34.4 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | 89 | 133.7 | 176.5 | -50.9 | 166.1 | 0 | 0 | 0 | 116 | | |
| 936 | M | 37.5 | Very low | 34.3 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 70% | 0.7 | 76% | 0.756 | S | S | * | * | | | cis | -166.3 | 152.3 | -15.3 | -121.1 | -59 | 115.2 | 0 | 0 | 109.9 | | |
| 937 | L | 39.6 | Very low | 34.7 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | | | trans | 63.4 | 153.2 | -179.5 | -71.6 | 71 | 0 | 0 | 0 | 115.4 | | |
| 938 | G | 33.5 | Very low | 34.3 | Very low | 62 Ų | 62 | 129.4 Ų | 129.4 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | cis | 177.3 | 154.2 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 939 | D | 37.6 | Very low | 34.4 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | 61.5 | 136.6 | 177.3 | -54.4 | -27.8 | 0 | 0 | 0 | 117.3 | | |
| 940 | Q | 30.4 | Very low | 34.4 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | cis | 79.5 | 129.9 | 34.4 | -168.6 | -178 | 108.7 | 0 | 0 | 112.9 | | |
| 941 | A | 38.9 | Very low | 34.5 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | cis | -125.5 | 166 | -2.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 942 | D | 35.4 | Very low | 34.4 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | cis | 71 | 157.4 | 40.6 | -146.7 | -10.4 | 0 | 0 | 0 | 114.6 | | |
| 943 | L | 46.7 | Very low | 34.6 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | 78.9 | 139.3 | -172.3 | -44.6 | -178.8 | 0 | 0 | 0 | 115.4 | | |
| 944 | M | 30.8 | Very low | 34.6 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | cis | -157.2 | 164.8 | -4 | -124.5 | 168.6 | 75.5 | 0 | 0 | 114.1 | | |
| 945 | S | 27 | Very low | 34.4 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | | | trans | -37.1 | 155.4 | 163.5 | 58 | 0 | 0 | 0 | 0 | 116.1 | | |
| 946 | S | 28.4 | Very low | 34.2 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | | 172.9 | 155.8 | 65.1 | -122.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 947 | L | 37.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | 59.1 | 138 | 149.5 | -57.9 | 167.3 | 0 | 0 | 0 | 118.7 | | |
| 948 | D | 31.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | cis | 94.4 | 120.8 | 31.2 | -174.6 | 37.9 | 0 | 0 | 0 | 115.3 | | |
| 949 | S | 30.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | 56.3 | 144.2 | 159.1 | -69.1 | 0 | 0 | 0 | 0 | 122 | | |
| 950 | G | 32.8 | Very low | 33.1 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | 157.2 | 85.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 951 | I | 36.3 | Very low | 32.9 | Very low | 159 Ų | 159 | 124 Ų | 124 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | | | trans | -88.5 | 154 | -177.2 | -38.7 | 172.7 | 0 | 0 | 0 | 112 | | |
| 952 | Q | 29.6 | Very low | 32.4 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | 108.1 | 98.9 | 152.3 | -55.9 | -173 | 42.9 | 0 | 0 | 121.1 | | |
| 953 | S | 35.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | 58.8 | 147 | 109.7 | -49.2 | 0 | 0 | 0 | 0 | 126 | | |
| 954 | V | 35.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | trans | 95.5 | 110.8 | 149.6 | -165.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 955 | A | 31.2 | Very low | 32.8 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | 163.4 | 142.7 | 131 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 956 | A | 31.7 | Very low | 32.8 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | cis | -164 | 154.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 957 | K | 30.3 | Very low | 33 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | 38.5 | 146.9 | 138.7 | -67.2 | -175.7 | 179 | -174.1 | 0 | 121.8 | | |
| 958 | S | 35.2 | Very low | 34.2 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | cis | -178 | 156.7 | 2.5 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 959 | D | 27.7 | Very low | 34.2 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 63.7 | 164.4 | 150.5 | -72.4 | -56.3 | 0 | 0 | 0 | 122.8 | | |
| 960 | S | 31.9 | Very low | 34.6 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | | -178.5 | 136.3 | -56 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 961 | S | 26.4 | Very low | 34.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | | | trans | 165.4 | 172.3 | 154.7 | -82.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 962 | S | 27.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -134.8 | -159.4 | -169.2 | -42.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 963 | P | 63.6 | Low | 34.2 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | | -128.4 | -164.8 | -64.6 | 36.1 | -17.3 | 0 | 0 | 0 | 114.3 | | |
| 964 | R | 28.8 | Very low | 34.1 | Very low | 206 Ų | 206 | 129.5 Ų | 129.5 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | | | trans | 81 | 163.4 | 160.8 | -128.4 | -178.5 | 164.2 | -117.3 | -17.3 | 114.4 | D966 | R964-D966 IonicContact NH2-OD1 3.34Å; R964-D966 IonicContact NH2-OD2 3.94Å |
| 965 | V | 30.5 | Very low | 33.8 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | | | cis | -155.2 | 151 | 21.2 | -134.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 966 | D | 27.1 | Very low | 33.8 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | | | trans | 61.2 | 167.2 | 142.6 | -63.7 | -13.7 | 0 | 0 | 0 | 126.3 | R964 | R964-D966 IonicContact NH2-OD1 3.34Å; R964-D966 IonicContact NH2-OD2 3.94Å |
| 967 | F | 32.1 | Very low | 33.8 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | trans | -113.3 | -160.6 | -164.7 | -75.7 | -92.3 | 0 | 0 | 0 | 112 | | |
| 968 | P | 62 | Low | 34.1 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | cis | -130.6 | -119.5 | -35.2 | 32 | -8.1 | 0 | 0 | 0 | 112.2 | | |
| 969 | D | 32.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | trans | 86.2 | 114.7 | 176.2 | -61.1 | -68.5 | 0 | 0 | 0 | 117.8 | | |
| 970 | D | 38.8 | Very low | 34.9 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | cis | 87.8 | 143.5 | 38 | -71.9 | -79.3 | 0 | 0 | 0 | 113.6 | | |
| 971 | V | 30 | Very low | 35.2 | Very low | 112 Ų | 112 | 140 Ų | 140 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | cis | -157.2 | 164.1 | -3.9 | 93.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 972 | S | 28.1 | Very low | 35.4 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | 138.6 | 112.7 | 147.9 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 973 | T | 32.7 | Very low | 35.5 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | | 62 | 112.9 | 55.5 | 72 | 0 | 0 | 0 | 0 | 116.1 | | |
| 974 | H | 31.8 | Very low | 33.9 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | | | | -168.4 | 172.5 | 103.3 | -111.4 | -83 | 0 | 0 | 0 | 114.2 | | |
| 975 | Y | 29.7 | Very low | 34.1 | Very low | 229 Ų | 229 | 134.5 Ų | 134.5 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | | | trans | -80.9 | 167.5 | -174.6 | -80.2 | -120.2 | 0 | 0 | 0 | 114.1 | | |
| 976 | G | 30.7 | Very low | 34.2 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 179.2 | 114.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 977 | N | 33.4 | Very low | 34.6 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -149.3 | 108.1 | 168.3 | 169.2 | 100.5 | 0 | 0 | 0 | 109.1 | | |
| 978 | E | 36.3 | Very low | 34.6 | Very low | 195 Ų | 195 | 129.7 Ų | 129.7 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | -167.3 | 174.3 | 160 | 49 | -155.9 | 124.8 | 0 | 0 | 110.4 | | |
| 979 | D | 40.8 | Very low | 33.2 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -108.6 | 172.6 | -167.3 | -146.5 | -39.1 | 0 | 0 | 0 | 111.9 | | |
| 980 | E | 39.1 | Very low | 33.4 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | 64.7 | 125.4 | 165.4 | -61.7 | -147.4 | 83.6 | 0 | 0 | 121.8 | | |
| 981 | V | 38.4 | Very low | 33.2 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 59 | 112.2 | 145.8 | -57.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 982 | S | 28.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | | 178 | 165.3 | 106.9 | -80.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 983 | S | 30.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -64.6 | 174.2 | 175.7 | -45.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 984 | S | 29.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | cis | -167.4 | 155.4 | 26.1 | 59 | 0 | 0 | 0 | 0 | 115.6 | | |
| 985 | S | 33.4 | Very low | 34 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 66 | 162.8 | 141.2 | -66.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 986 | D | 32.8 | Very low | 34 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | cis | -179.1 | 153.5 | -34.6 | -161.8 | -147.3 | 0 | 0 | 0 | 106 | | |
| 987 | A | 35.7 | Very low | 33.9 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | cis | -134.9 | -165.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 988 | G | 32.6 | Very low | 33.7 | Very low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | cis | -169.3 | 173.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 989 | G | 32.1 | Very low | 34.2 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | cis | 121.9 | 146.7 | 26.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 990 | A | 35.5 | Very low | 33.7 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | cis | -162.5 | -169.7 | -15.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 991 | S | 35.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | cis | -166.9 | 142 | 2.8 | -166.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 992 | A | 37.3 | Very low | 33 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | cis | -137 | -80.6 | -17.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 993 | T | 29.6 | Very low | 33.1 | Very low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | cis | -150.5 | 140.3 | -16.3 | -46.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 994 | K | 30.5 | Very low | 33.3 | Very low | 199 Ų | 199 | 123.1 Ų | 123.1 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -148.9 | 153.4 | 169.9 | -69.3 | -179.1 | -179.8 | 172.7 | 0 | 108.7 | | |
| 995 | P | 42.6 | Very low | 34.4 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | | -141.6 | 167.3 | 100.5 | 35.7 | -20.3 | 0 | 0 | 0 | 112.1 | | |
| 996 | N | 28.9 | Very low | 34.4 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | cis | 82.8 | 81.6 | 18.7 | -164.1 | 6.1 | 0 | 0 | 0 | 117.9 | | |
| 997 | R | 29.7 | Very low | 34.3 | Very low | 238 Ų | 238 | 128.6 Ų | 128.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | | -173.2 | 167.6 | 121.6 | -103.6 | 178.5 | -180 | -169.7 | 0.5 | 113 | | |
| 998 | S | 27.6 | Very low | 34.1 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -89.5 | -169.9 | -176.1 | -8.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 999 | P | 47.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | cis | -139.5 | -178.1 | -35.5 | 38.6 | -20.5 | 0 | 0 | 0 | 115.2 | | |
| 1000 | M | 29.8 | Very low | 33.9 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | 76.7 | 117.9 | 143.1 | -73.6 | -94.4 | -92.2 | 0 | 0 | 123.8 | | |
| 1001 | I | 33.7 | Very low | 33.8 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 68% | 0.677 | 79% | 0.789 | S | S | * | * | | | trans | 66.5 | 115.7 | 144.3 | -39.7 | 156 | 0 | 0 | 0 | 120.8 | | |
| 1002 | T | 29.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | | 161.5 | 149.6 | 119.2 | 38.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1003 | G | 30.6 | Very low | 33.1 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | 82.1 | 114 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1004 | S | 33.9 | Very low | 33.3 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -97 | 152.4 | 155.5 | -50.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1005 | P | 52.7 | Low | 33.4 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | | -141.4 | -142.8 | 106.1 | 38.1 | -22.2 | 0 | 0 | 0 | 114.2 | | |
| 1006 | K | 34.1 | Very low | 32.8 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -131.7 | 161.9 | -142.5 | -152.9 | -173.7 | -175.8 | 178.6 | 0 | 114 | | |
| 1007 | M | 30.8 | Very low | 33 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | trans | 84.8 | 115.7 | 157.3 | -64.8 | 173 | 46.6 | 0 | 0 | 121.9 | | |
| 1008 | Q | 31.4 | Very low | 33 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | | 170.3 | 138.5 | 119.4 | -91.4 | -179.6 | -116.5 | 0 | 0 | 107.7 | | |
| 1009 | R | 32 | Very low | 33.3 | Very low | 213 Ų | 213 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | cis | 102.8 | 98.7 | 20.7 | -170.9 | -167.3 | -167.9 | 175.1 | 8.4 | 113.9 | | |
| 1010 | S | 28.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 177.4 | 100 | 134.3 | 33.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1011 | D | 32.8 | Very low | 33 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 66% | 0.658 | 79% | 0.792 | S | S | * | * | | | | 41.3 | 121 | 121.6 | -44.8 | -52.8 | 0 | 0 | 0 | 123 | | |
| 1012 | N | 31 | Very low | 32.8 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | 57.4 | 143.2 | 131 | -59.7 | -4.6 | 0 | 0 | 0 | 120.9 | | |
| 1013 | S | 27.7 | Very low | 32.8 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | cis | 174.7 | 155.3 | 48.8 | -130 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1014 | L | 33.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | 71.4 | 118.7 | 145.7 | -60.7 | 165.4 | 0 | 0 | 0 | 124.4 | | |
| 1015 | L | 33.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | | 41.4 | 124.1 | 126.1 | -55.4 | 176 | 0 | 0 | 0 | 121.6 | | |
| 1016 | N | 28.7 | Very low | 31.8 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | | -168.1 | 175.5 | 90.3 | -160.9 | 7.1 | 0 | 0 | 0 | 110 | | |
| 1017 | G | 32.9 | Very low | 31.6 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | | | trans | -146.3 | 145.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1018 | Q | 31.1 | Very low | 31.8 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -164.1 | 160.2 | 167.2 | -114.1 | 171.2 | 5.2 | 0 | 0 | 111.8 | | |
| 1019 | K | 32.8 | Very low | 31.7 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | -128.3 | 165.4 | 160.4 | -67.2 | -176.9 | 178.1 | -179.6 | 0 | 106 | | |
| 1020 | P | 39.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | cis | -138 | -167.9 | 12.1 | 38.8 | -17.7 | 0 | 0 | 0 | 115.1 | | |
| 1021 | L | 32.3 | Very low | 31.7 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | 70.5 | 140.8 | 165 | -55.4 | 166.3 | 0 | 0 | 0 | 117.3 | | |
| 1022 | G | 29.2 | Very low | 31.9 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | cis | -179.7 | 167.9 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1023 | M | 31 | Very low | 32.8 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 95% | 0.946 | 77% | 0.765 | S | S | * | * | | | trans | 69.9 | 111.4 | 165.4 | -92.1 | 56.7 | 179.9 | 0 | 0 | 122.4 | | |
| 1024 | G | 31.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | 103.4 | 139.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1025 | I | 33.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | cis | -153.4 | 164.9 | -14.3 | -23.6 | 171.2 | 0 | 0 | 0 | 108.5 | | |
| 1026 | N | 31.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | 73.4 | 142.9 | 170.5 | -57.5 | -1.1 | 0 | 0 | 0 | 115.5 | | |
| 1027 | N | 30.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | cis | -156.4 | 161.9 | 3.3 | -128.4 | 10.8 | 0 | 0 | 0 | 113.2 | | |
| 1028 | H | 34.2 | Very low | 32.5 | Very low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | 74.1 | 143.3 | 169 | -49.8 | -56.4 | 0 | 0 | 0 | 118.9 | | |
| 1029 | T | 29.4 | Very low | 32.4 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -176.8 | 151.5 | -159.6 | -87.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1030 | T | 30.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | cis | -170.9 | 160.3 | -18.2 | -82.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1031 | S | 29.8 | Very low | 31.9 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 68.9 | 142.7 | 158 | 57 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1032 | A | 37.3 | Very low | 32 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -87.7 | 177.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1033 | P | 49 | Very low | 32.2 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | | -158.5 | 167.8 | 99.4 | 40.8 | -21.6 | 0 | 0 | 0 | 118.5 | | |
| 1034 | D | 30.5 | Very low | 32.2 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | 50 | 143.6 | 138.1 | -57 | -20.5 | 0 | 0 | 0 | 127.1 | | |
| 1035 | S | 26.7 | Very low | 32.2 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 100.1 | 150.2 | 137.6 | -81.5 | 0 | 0 | 0 | 0 | 123.9 | | |
| 1036 | Y | 31.9 | Very low | 32 | Very low | 235 Ų | 235 | 124.6 Ų | 124.6 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | -57.7 | 158 | -171.2 | -58.5 | -102.3 | 0 | 0 | 0 | 117.5 | | |
| 1037 | G | 30.1 | Very low | 31.9 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -168.2 | 152.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1038 | L | 31.7 | Very low | 31.9 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -124 | 142.2 | -176.7 | -100.6 | 165 | 0 | 0 | 0 | 112.1 | | |
| 1039 | N | 29.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | 51.2 | 128.8 | 142.6 | -157.8 | 33.6 | 0 | 0 | 0 | 122 | | |
| 1040 | S | 30.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | 36.8 | 135.4 | 146.2 | -164.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1041 | G | 30.6 | Very low | 31.7 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | trans | 137.1 | 72.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1042 | V | 33.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | 27 | 113.8 | 140 | -178.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1043 | S | 34.2 | Very low | 31.9 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | 69 | 152.5 | 147.1 | 80.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1044 | T | 31.2 | Very low | 31.2 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | | | trans | -139.9 | 138.3 | 157.5 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1045 | G | 29.4 | Very low | 31.6 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | 176.3 | 102.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1046 | A | 30 | Very low | 31.7 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | 68.7 | 101.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1047 | S | 29.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | | 42 | 114.1 | 122.4 | -50.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1048 | G | 29.7 | Very low | 32 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | -167.6 | 115.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1049 | V | 30.2 | Very low | 32 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -70.5 | 147.8 | -170.2 | 172.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1050 | S | 28.7 | Very low | 32.1 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | 78.9 | 145.4 | 155.2 | 64.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1051 | H | 30.4 | Very low | 32 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -94.1 | 179 | 162 | -60.3 | -79.7 | 0 | 0 | 0 | 110 | | |
| 1052 | P | 44.1 | Very low | 32 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | cis | -132.2 | -175 | -1.9 | 41.7 | -25.6 | 0 | 0 | 0 | 114.5 | | |
| 1053 | G | 28.5 | Very low | 32.1 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | 140.7 | 122 | 149 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1054 | T | 33.8 | Very low | 31.7 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | -101.6 | 148.1 | 150.9 | 52.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1055 | P | 39.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 125 Ų | 125 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | | -144.2 | 164 | 85.5 | 38.1 | -22 | 0 | 0 | 0 | 114.6 | | |
| 1056 | G | 28.5 | Very low | 31.9 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | trans | -96.8 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1057 | V | 34.4 | Very low | 32.1 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | | | trans | -147.6 | 153.9 | 157.7 | -79.4 | 0 | 0 | 0 | 0 | 108.9 | K931 | K931-V1057 HydrophobicContact CD-CG1 4.44Š|
| 1058 | E | 33.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 61% | 0.612 | 79% | 0.79 | S | S | * | * | | | trans | -78.1 | 145 | -175.8 | -58 | 157.4 | 96.9 | 0 | 0 | 112.7 | W929 | W929-E1058 VanDerWaalsContact CD1-OE1 3.23Š|
| 1059 | Q | 33.2 | Very low | 32.9 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -154.8 | 128.9 | 137.5 | -120.1 | 170.6 | 45.7 | 0 | 0 | 115.7 | | |
| 1060 | V | 29.6 | Very low | 33.6 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -49.8 | 130.1 | 171.3 | 170.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1061 | R | 28.8 | Very low | 34.8 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | | 177.8 | 162 | 106.4 | -132.7 | 169.6 | -177.1 | 113.5 | -2.7 | 113.9 | | |
| 1062 | T | 32 | Very low | 36.6 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | trans | 54.4 | 128.6 | 159.9 | 51.1 | 0 | 0 | 0 | 0 | 120.4 | S1064 | T1062-S1064 PolarHBondContact O-N 3.21Š|
| 1063 | P | 34.2 | Very low | 38.1 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -75.7 | 109.4 | 155.8 | 31.9 | -28.9 | 0 | 0 | 0 | 109.1 | | |
| 1064 | S | 26.9 | Very low | 40.4 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -96.6 | 130.7 | 168.4 | -167 | 0 | 0 | 0 | 0 | 109.4 | T1062 T1066 | T1062-S1064 PolarHBondContact O-N 3.21Å; S1064-T1066 PolarHBondContact O-N 3.43Å |
| 1065 | S | 33.1 | Very low | 42.7 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | -69.3 | 121 | -177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1066 | T | 31.7 | Very low | 44.8 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | | | trans | -101.8 | 111.3 | 166.3 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | S1064 G1068 | S1064-T1066 PolarHBondContact O-N 3.43Å; T1066-G1068 PolarHBondContact O-N 3.48Å |
| 1067 | S | 34.3 | Very low | 47.7 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | | | trans | -69.6 | 108.8 | -179 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1068 | G | 32.9 | Very low | 50.3 | Low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | | | trans | -72.5 | 137.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | T1066 E1070 | T1066-G1068 PolarHBondContact O-N 3.48Å; G1068-E1070 PolarHBondContact O-N 2.83Å |
| 1069 | Q | 42.6 | Very low | 52.8 | Low | 195 Ų | 195 | 128.3 Ų | 128.3 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | | | trans | -78.7 | 73.1 | 167.3 | -77.7 | -82.4 | -51.3 | 0 | 0 | 108.3 | | |
| 1070 | E | 46.3 | Very low | 55.4 | Low | 176 Ų | 176 | 121.2 Ų | 121.2 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | | | trans | -80 | 117.4 | 169.5 | -165 | 154.8 | -136.5 | 0 | 0 | 107.6 | G1068 I1072 | G1068-E1070 PolarHBondContact O-N 2.83Å; E1070-I1072 VanDerWaalsContact C-N 3.31Å; E1070-I1072 PolarHBondContact O-N 2.86Å |
| 1071 | E | 53 | Low | 58 | Low | 189 Ų | 189 | 119.3 Ų | 119.3 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | | | trans | -71.8 | 85.8 | -174.2 | -172.4 | 174.8 | -165.5 | 0 | 0 | 109.4 | H1073 | E1071-H1073 PolarHBondContact O-N 3.36Š|
| 1072 | I | 68.4 | Low | 60.9 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 57% | 0.569 | 64% | 0.637 | S | S | * | * | | | trans | -52 | 110.3 | -171.2 | -49.5 | 178.2 | 0 | 0 | 0 | 109.4 | E1070 E1076 I1077 | E1070-I1072 VanDerWaalsContact C-N 3.31Å; E1070-I1072 PolarHBondContact O-N 2.86Å; I1072-E1076 HydrophobicContact CG2-CB 4.17Å; I1072-I1077 HydrophobicContact CB-CD1 4.37Å; I1072-I1077 HydrophobicContact CB-CG1 4.28Å; I1072-I1077 HydrophobicContact CG2-CD1 4.32Å; I1072-I1077 HydrophobicContact CG2-CG1 3.69Å |
| 1073 | H | 75.5 | Confident | 63.4 | Low | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.486 | 63% | 0.63 | S | S | . | * | | | trans | -61.4 | 137.5 | -169.8 | -167.2 | -101.2 | 0 | 0 | 0 | 109.4 | E1071 L1075 E1076 I1077 | E1071-H1073 PolarHBondContact O-N 3.36Å; H1073-L1075 PolarHBondContact O-N 3.12Å; H1073-E1076 WeakPolarHBondContact O-CA 3.43Å; H1073-E1076 WeakPolarHBondContact O-CB 3.3Å; H1073-E1076 PolarHBondContact O-N 3.24Å; H1073-I1077 PolarHBondContact O-N 2.99Å |
| 1074 | P | 76.4 | Confident | 66 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 60% | 0.597 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.3 | -23.8 | -173.8 | 19.7 | -32.3 | 0 | 0 | 0 | 113.3 | L1078 | P1074-L1078 VanDerWaalsContact O-CB 3.27Å; P1074-L1078 WeakPolarHBondContact O-CB 3.33Å; P1074-L1078 PolarHBondContact O-N 3.29Å |
| 1075 | L | 82.7 | Confident | 68.6 | Low | 103 Ų | 103 | 111.4 Ų | 111.4 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -32.8 | 170.9 | -61.2 | 178.6 | 0 | 0 | 0 | 113.8 | H1073 Q1079 | H1073-L1075 PolarHBondContact O-N 3.12Å; L1075-Q1079 WeakPolarHBondContact O-CB 3.49Å; L1075-Q1079 PolarHBondContact O-N 3.04Å |
| 1076 | E | 83.8 | Confident | 70.6 | Confident | 124 Ų | 124 | 113.9 Ų | 113.9 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -39.3 | 173.9 | -90.8 | -175.1 | 143.2 | 0 | 0 | 111.5 | I1072 H1073 L1078 Q1079 A1080 | I1072-E1076 HydrophobicContact CG2-CB 4.17Å; H1073-E1076 WeakPolarHBondContact O-CA 3.43Å; H1073-E1076 WeakPolarHBondContact O-CB 3.3Å; H1073-E1076 PolarHBondContact O-N 3.24Å; E1076-L1078 VanDerWaalsContact C-N 3.33Å; E1076-Q1079 PolarHBondContact O-N 3.36Å; E1076-A1080 VanDerWaalsContact O-CB 3.28Å; E1076-A1080 WeakPolarHBondContact O-CB 3.47Å; E1076-A1080 PolarHBondContact O-N 3.47Å |
| 1077 | I | 87.6 | Confident | 72.5 | Confident | 79 Ų | 79 | 113.2 Ų | 113.2 | 41% | 0.405 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.1 | -46 | 172.1 | -55.8 | 179.6 | 0 | 0 | 0 | 109.7 | I1072 H1073 A1080 Q1081 | I1072-I1077 HydrophobicContact CB-CD1 4.37Å; I1072-I1077 HydrophobicContact CB-CG1 4.28Å; I1072-I1077 HydrophobicContact CG2-CD1 4.32Å; I1072-I1077 HydrophobicContact CG2-CG1 3.69Å; H1073-I1077 PolarHBondContact O-N 2.99Å; I1077-A1080 PolarHBondContact O-N 3.44Å; I1077-Q1081 WeakPolarHBondContact O-CB 3.4Å; I1077-Q1081 WeakPolarHBondContact O-CG 3.31Å; I1077-Q1081 PolarHBondContact O-N 3.2Å |
| 1078 | L | 89.4 | Confident | 73.9 | Confident | 74 Ų | 74 | 114.6 Ų | 114.6 | 39% | 0.387 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.1 | -41.1 | 175.7 | -178.6 | 62.4 | 0 | 0 | 0 | 112.1 | P1074 E1076 Q1081 I1082 | P1074-L1078 VanDerWaalsContact O-CB 3.27Å; P1074-L1078 WeakPolarHBondContact O-CB 3.33Å; P1074-L1078 PolarHBondContact O-N 3.29Å; E1076-L1078 VanDerWaalsContact C-N 3.33Å; L1078-Q1081 PolarHBondContact O-N 2.99Å; L1078-I1082 HydrophobicContact CD1-CD1 4.21Å; L1078-I1082 HydrophobicContact CD1-CG1 4.47Å; L1078-I1082 HydrophobicContact CG-CD1 3.97Å; L1078-I1082 WeakPolarHBondContact O-CB 3.22Å; L1078-I1082 VanDerWaalsContact O-CG1 3.24Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; L1078-I1082 PolarHBondContact O-N 3.01Å |
| 1079 | Q | 87.3 | Confident | 74.9 | Confident | 124 Ų | 124 | 118.9 Ų | 118.9 | 58% | 0.579 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.3 | -42.5 | 177.3 | -176.7 | 165.4 | -13.1 | 0 | 0 | 111.4 | L1075 E1076 I1082 Q1083 | L1075-Q1079 WeakPolarHBondContact O-CB 3.49Å; L1075-Q1079 PolarHBondContact O-N 3.04Å; E1076-Q1079 PolarHBondContact O-N 3.36Å; Q1079-I1082 PolarHBondContact O-N 3.26Å; Q1079-Q1083 VanDerWaalsContact O-CB 3.29Å; Q1079-Q1083 WeakPolarHBondContact O-CB 3.31Å; Q1079-Q1083 PolarHBondContact O-N 2.9Å |
| 1080 | A | 86.1 | Confident | 75.1 | Confident | 47 Ų | 47 | 114 Ų | 114 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -41.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1076 I1077 Q1083 L1084 | E1076-A1080 VanDerWaalsContact O-CB 3.28Å; E1076-A1080 WeakPolarHBondContact O-CB 3.47Å; E1076-A1080 PolarHBondContact O-N 3.47Å; I1077-A1080 PolarHBondContact O-N 3.44Å; A1080-Q1083 PolarHBondContact O-N 3.48Å; A1080-L1084 WeakPolarHBondContact O-CB 3.41Å; A1080-L1084 WeakPolarHBondContact O-CG 3.28Å; A1080-L1084 PolarHBondContact O-N 3.49Å |
| 1081 | Q | 85.3 | Confident | 75.4 | Confident | 88 Ų | 88 | 112.5 Ų | 112.5 | 41% | 0.411 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 173.5 | -76.6 | -178.2 | 5.2 | 0 | 0 | 112.2 | I1077 L1078 Q1083 L1084 Q1085 | I1077-Q1081 WeakPolarHBondContact O-CB 3.4Å; I1077-Q1081 WeakPolarHBondContact O-CG 3.31Å; I1077-Q1081 PolarHBondContact O-N 3.2Å; L1078-Q1081 PolarHBondContact O-N 2.99Å; Q1081-Q1083 VanDerWaalsContact C-N 3.26Å; Q1081-Q1083 PolarHBondContact O-N 3.32Å; Q1081-L1084 PolarHBondContact O-N 3.01Å; Q1081-Q1085 WeakPolarHBondContact O-CB 3.34Å; Q1081-Q1085 PolarHBondContact O-N 2.92Å |
| 1082 | I | 88.7 | Confident | 75 | Confident | 79 Ų | 79 | 108.1 Ų | 108.1 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 174.2 | -71.1 | 164.3 | 0 | 0 | 0 | 110.7 | L1078 Q1079 R1086 | L1078-I1082 HydrophobicContact CD1-CD1 4.21Å; L1078-I1082 HydrophobicContact CD1-CG1 4.47Å; L1078-I1082 HydrophobicContact CG-CD1 3.97Å; L1078-I1082 WeakPolarHBondContact O-CB 3.22Å; L1078-I1082 VanDerWaalsContact O-CG1 3.24Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; L1078-I1082 PolarHBondContact O-N 3.01Å; Q1079-I1082 PolarHBondContact O-N 3.26Å; I1082-R1086 VanDerWaalsContact O-CB 3.29Å; I1082-R1086 WeakPolarHBondContact O-CB 3.49Å; I1082-R1086 VanDerWaalsContact O-CG 3.22Å; I1082-R1086 WeakPolarHBondContact O-CG 3.25Å; I1082-R1086 PolarHBondContact O-N 3.42Å |
| 1083 | Q | 85.4 | Confident | 73.7 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76 | -36.3 | -179.7 | -155.9 | 159.5 | 15.3 | 0 | 0 | 112.3 | Q1079 A1080 Q1081 Q1087 | Q1079-Q1083 VanDerWaalsContact O-CB 3.29Å; Q1079-Q1083 WeakPolarHBondContact O-CB 3.31Å; Q1079-Q1083 PolarHBondContact O-N 2.9Å; A1080-Q1083 PolarHBondContact O-N 3.48Å; Q1081-Q1083 VanDerWaalsContact C-N 3.26Å; Q1081-Q1083 PolarHBondContact O-N 3.32Å; Q1083-Q1087 WeakPolarHBondContact O-CG 3.37Å; Q1083-Q1087 PolarHBondContact O-N 3.21Å |
| 1084 | L | 89.1 | Confident | 72.2 | Confident | 97 Ų | 97 | 114.5 Ų | 114.5 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -46.1 | 169.2 | -81.7 | 161.1 | 0 | 0 | 0 | 111.8 | A1080 Q1081 R1086 Q1087 Q1088 | A1080-L1084 WeakPolarHBondContact O-CB 3.41Å; A1080-L1084 WeakPolarHBondContact O-CG 3.28Å; A1080-L1084 PolarHBondContact O-N 3.49Å; Q1081-L1084 PolarHBondContact O-N 3.01Å; L1084-R1086 VanDerWaalsContact C-N 3.3Å; L1084-R1086 PolarHBondContact O-N 3Å; L1084-Q1087 WeakPolarHBondContact O-CB 3.25Å; L1084-Q1087 PolarHBondContact O-N 2.81Å; L1084-Q1087 VanDerWaalsContact O-N 3.08Å; L1084-Q1088 WeakPolarHBondContact O-CG 3.33Å; L1084-Q1088 PolarHBondContact O-N 3.05Å |
| 1085 | Q | 80.4 | Confident | 70.1 | Confident | 109 Ų | 109 | 118.6 Ų | 118.6 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.2 | -38.2 | 176.2 | -173.4 | 173.2 | 65.9 | 0 | 0 | 111 | Q1081 Q1088 F1089 | Q1081-Q1085 WeakPolarHBondContact O-CB 3.34Å; Q1081-Q1085 PolarHBondContact O-N 2.92Å; Q1085-Q1088 PolarHBondContact O-N 3.27Å; Q1085-F1089 HydrophobicContact CG-CD2 3.75Å; Q1085-F1089 HydrophobicContact CG-CE2 3.6Å; Q1085-F1089 VanDerWaalsContact O-CD2 3.24Å; Q1085-F1089 WeakPolarHBondContact O-CD2 3.33Å; Q1085-F1089 PolarHBondContact O-N 2.88Å |
| 1086 | R | 75.4 | Confident | 68.1 | Low | 176 Ų | 176 | 119 Ų | 119 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.1 | -42 | 169.6 | -82.4 | 172 | 166.2 | -83.4 | -0.9 | 112.5 | I1082 L1084 F1089 S1090 | I1082-R1086 VanDerWaalsContact O-CB 3.29Å; I1082-R1086 WeakPolarHBondContact O-CB 3.49Å; I1082-R1086 VanDerWaalsContact O-CG 3.22Å; I1082-R1086 WeakPolarHBondContact O-CG 3.25Å; I1082-R1086 PolarHBondContact O-N 3.42Å; L1084-R1086 VanDerWaalsContact C-N 3.3Å; L1084-R1086 PolarHBondContact O-N 3Å; R1086-F1089 PolarHBondContact O-N 3.46Å; R1086-S1090 VanDerWaalsContact O-CB 3.27Å; R1086-S1090 WeakPolarHBondContact O-CB 3.09Å; R1086-S1090 PolarHBondContact O-N 3.21Å; R1086-S1090 PolarHBondContact O-OG 3.02Å |
| 1087 | Q | 73 | Confident | 65.7 | Low | 122 Ų | 122 | 120 Ų | 120 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.7 | -45.2 | 174.4 | -72.8 | -179.4 | 43 | 0 | 0 | 111.6 | Q1083 L1084 F1089 S1090 I1091 | Q1083-Q1087 WeakPolarHBondContact O-CG 3.37Å; Q1083-Q1087 PolarHBondContact O-N 3.21Å; L1084-Q1087 WeakPolarHBondContact O-CB 3.25Å; L1084-Q1087 PolarHBondContact O-N 2.81Å; L1084-Q1087 VanDerWaalsContact O-N 3.08Å; Q1087-F1089 VanDerWaalsContact C-N 3.27Å; Q1087-F1089 PolarHBondContact O-N 3.39Å; Q1087-S1090 PolarHBondContact O-N 2.76Å; Q1087-I1091 PolarHBondContact O-N 3.37Å |
| 1088 | Q | 63.5 | Low | 63.2 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 64% | 0.64 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.5 | -28.8 | 177.8 | -72.7 | 179.7 | -18.7 | 0 | 0 | 113.7 | L1084 Q1085 I1091 | L1084-Q1088 WeakPolarHBondContact O-CG 3.33Å; L1084-Q1088 PolarHBondContact O-N 3.05Å; Q1085-Q1088 PolarHBondContact O-N 3.27Å; Q1088-I1091 VanDerWaalsContact O-CG1 3.28Å; Q1088-I1091 WeakPolarHBondContact O-CG1 3.45Å |
| 1089 | F | 53.8 | Low | 60.6 | Low | 155 Ų | 155 | 123 Ų | 123 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -91.9 | -3.3 | 170.6 | -70.9 | -59.4 | 0 | 0 | 0 | 114.6 | Q1085 R1086 Q1087 | Q1085-F1089 HydrophobicContact CG-CD2 3.75Å; Q1085-F1089 HydrophobicContact CG-CE2 3.6Å; Q1085-F1089 VanDerWaalsContact O-CD2 3.24Å; Q1085-F1089 WeakPolarHBondContact O-CD2 3.33Å; Q1085-F1089 PolarHBondContact O-N 2.88Å; R1086-F1089 PolarHBondContact O-N 3.46Å; Q1087-F1089 VanDerWaalsContact C-N 3.27Å; Q1087-F1089 PolarHBondContact O-N 3.39Å |
| 1090 | S | 46.8 | Very low | 57.8 | Low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -98.3 | -4.8 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | R1086 Q1087 S1092 | R1086-S1090 VanDerWaalsContact O-CB 3.27Å; R1086-S1090 WeakPolarHBondContact O-CB 3.09Å; R1086-S1090 PolarHBondContact O-N 3.21Å; R1086-S1090 PolarHBondContact O-OG 3.02Å; Q1087-S1090 PolarHBondContact O-N 2.76Å; S1090-S1092 VanDerWaalsContact C-N 3.31Å; S1090-S1092 PolarHBondContact O-N 3.2Å |
| 1091 | I | 50.9 | Low | 55.2 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 74% | 0.744 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 21 | 179 | 55.1 | 169.1 | 0 | 0 | 0 | 113.9 | Q1087 Q1088 | Q1087-I1091 PolarHBondContact O-N 3.37Å; Q1088-I1091 VanDerWaalsContact O-CG1 3.28Å; Q1088-I1091 WeakPolarHBondContact O-CG1 3.45Å |
| 1092 | S | 45.2 | Very low | 52.5 | Low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 25.3 | -174.5 | 74 | 0 | 0 | 0 | 0 | 116.5 | S1090 | S1090-S1092 VanDerWaalsContact C-N 3.31Å; S1090-S1092 PolarHBondContact O-N 3.2Å |
| 1093 | E | 42.2 | Very low | 49.7 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -148.1 | 52.2 | 158.9 | -156.4 | 174.9 | 129.8 | 0 | 0 | 112.5 | | |
| 1094 | D | 43.9 | Very low | 47 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | | | trans | -138.9 | 125.4 | 165.8 | -144.9 | -31.3 | 0 | 0 | 0 | 111.2 | | |
| 1095 | Q | 30.7 | Very low | 43.9 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | trans | -153.9 | 152.5 | 178.8 | -106.9 | -140.1 | -18.3 | 0 | 0 | 109.9 | | |
| 1096 | P | 42 | Very low | 41.4 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | | -90 | 145.1 | -128.9 | -13.7 | 30.6 | 0 | 0 | 0 | 114.9 | A1098 | P1096-A1098 VanDerWaalsContact C-N 3.29Å; P1096-A1098 PolarHBondContact O-N 3Å |
| 1097 | L | 33.4 | Very low | 39 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | -72.3 | 78 | 170.5 | -72.2 | 171.6 | 0 | 0 | 0 | 111.8 | | |
| 1098 | A | 35.2 | Very low | 36.6 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 63% | 0.628 | 76% | 0.757 | S | S | * | * | | | trans | -64.6 | 140.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S882 P1096 | S882-A1098 WeakPolarHBondContact CB-O 3.48Å; S882-A1098 PolarHBondContact OG-O 2.74Å; P1096-A1098 VanDerWaalsContact C-N 3.29Å; P1096-A1098 PolarHBondContact O-N 3Å |
| 1099 | M | 33.5 | Very low | 35.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -82.4 | 141.6 | -175 | -65.1 | 152.9 | 59.8 | 0 | 0 | 111.6 | V885 | V885-M1099 HydrophobicContact CG2-CE 4.14Å; V885-M1099 HydrophobicContact CG2-CG 4.08Å; V885-M1099 HydrophobicContact CG2-SD 3.94Å |
| 1100 | K | 30 | Very low | 33.8 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | -123.4 | 107 | 171.3 | -174.9 | 159.6 | -173.6 | 127.1 | 0 | 112.8 | | |
| 1101 | N | 30.3 | Very low | 32.9 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -56.1 | 137.9 | 166.4 | -81.8 | -14.1 | 0 | 0 | 0 | 111 | | |
| 1102 | G | 29 | Very low | 31.8 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -100.4 | 165.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1103 | K | 29 | Very low | 31.1 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | | | trans | -154.3 | 129.6 | 151.5 | -154.8 | 166.1 | -174.6 | 175.4 | 0 | 109.4 | | |
| 1104 | K | 29.2 | Very low | 30.5 | Very low | 207 Ų | 207 | 135.6 Ų | 135.6 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | | | trans | -114.5 | 135.1 | 156.5 | -85.8 | -173.8 | 173.4 | -178.4 | 0 | 106.4 | | |
| 1105 | S | 24.8 | Very low | 29.8 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | -82.1 | 147.6 | 162.9 | 144.8 | 0 | 0 | 0 | 0 | 108.7 | D1107 | S1105-D1107 PolarHBondContact OG-OD2 3.22Š|
| 1106 | S | 27.2 | Very low | 30 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -166.2 | 58.5 | 169.3 | -178 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1107 | D | 25.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | | | trans | -56.9 | 134.7 | 174.1 | -52.1 | -101.1 | 0 | 0 | 0 | 109.7 | S1105 | S1105-D1107 PolarHBondContact OG-OD2 3.22Š|
| 1108 | C | 23.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | 174.3 | 167.9 | 98.6 | -89.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1109 | P | 31.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | cis | -125.5 | -178.5 | 11.6 | 42.1 | -27.7 | 0 | 0 | 0 | 115.5 | | |
| 1110 | S | 26.4 | Very low | 29.2 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | | | trans | -70.3 | 150.2 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 114.7 | N1112 | S1110-N1112 PolarHBondContact OG-OD1 2.99Š|
| 1111 | Q | 28.7 | Very low | 29 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -127.1 | 142.8 | 133.6 | -86.4 | -168.7 | -32.4 | 0 | 0 | 109.3 | | |
| 1112 | N | 27.7 | Very low | 29.8 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -75.8 | 157.2 | -173.4 | -84.3 | 32.1 | 0 | 0 | 0 | 113.7 | S1110 D1114 | S1110-N1112 PolarHBondContact OG-OD1 2.99Å; N1112-D1114 PolarHBondContact ND2-OD2 3.3Å |
| 1113 | G | 30 | Very low | 29.7 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -164.9 | 69.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1115 | G1113-N1115 PolarHBondContact O-N 3.09Š|
| 1114 | D | 30.1 | Very low | 29.9 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -60 | 128.3 | -178.4 | -70.3 | -98.6 | 0 | 0 | 0 | 112.5 | N1112 | N1112-D1114 PolarHBondContact ND2-OD2 3.3Š|
| 1115 | N | 28.8 | Very low | 29.9 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -156.9 | 90.8 | 152 | -151.5 | 2.3 | 0 | 0 | 0 | 112.3 | G1113 | G1113-N1115 PolarHBondContact O-N 3.09Š|
| 1116 | E | 35 | Very low | 30.7 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | 53.4 | 141.9 | 147.2 | -57.6 | -78.5 | 73.5 | 0 | 0 | 121.8 | | |
| 1117 | L | 34 | Very low | 30.9 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -80.4 | -179.6 | 177.7 | -62.5 | 167.5 | 0 | 0 | 0 | 111.8 | | |
| 1118 | P | 36.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | cis | -128.3 | -178.9 | 0.3 | 41.1 | -24.2 | 0 | 0 | 0 | 113.8 | | |
| 1119 | G | 27 | Very low | 32.1 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | | | cis | 171.9 | -159.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1120 | C | 30.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | | | trans | 72 | 73.4 | 171.9 | -64.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1121 | S | 24.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -98.6 | 168.5 | 132.5 | -157.1 | 0 | 0 | 0 | 0 | 107 | | |
| 1122 | P | 46.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | | | cis | -125.2 | -151.5 | 10 | 46.6 | -27.5 | 0 | 0 | 0 | 111.1 | | |
| 1123 | D | 27.1 | Very low | 34.7 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | cis | -148.4 | -170.7 | 35.9 | -157 | -103.6 | 0 | 0 | 0 | 114 | | |
| 1124 | A | 33 | Very low | 35.6 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -115.4 | 148.2 | -155.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1125 | G | 30.6 | Very low | 36.9 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -142.9 | 125.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1126 | K | 41.2 | Very low | 38.1 | Very low | 216 Ų | 216 | 125.2 Ų | 125.2 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | | | trans | -99.7 | 97.4 | -174.5 | -71.9 | 179.6 | -178.9 | 171.4 | 0 | 113.1 | | |
| 1127 | G | 31.4 | Very low | 38.7 | Very low | 78 Ų | 78 | 122.7 Ų | 122.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 76.2 | 141.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1128 | S | 31.7 | Very low | 39.5 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -158.9 | 162 | 144.8 | -174.8 | 0 | 0 | 0 | 0 | 109 | | |
| 1129 | M | 41.6 | Very low | 40.2 | Very low | 184 Ų | 184 | 118.8 Ų | 118.8 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | | | trans | -72.9 | 145.9 | 158.9 | -65 | 172 | 72.3 | 0 | 0 | 109.2 | | |
| 1130 | G | 33.5 | Very low | 41.1 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | -139.4 | 119.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1131 | T | 40.9 | Very low | 41.6 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | | | trans | -33 | 139.7 | 168.7 | 44.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1132 | I | 47.1 | Very low | 42 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | trans | -62.4 | 131.7 | 153.3 | -78.4 | 172.8 | 0 | 0 | 0 | 107.6 | | |
| 1133 | D | 47.6 | Very low | 41.2 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 54% | 0.54 | 75% | 0.749 | S | S | . | * | | | trans | -78 | 138.4 | 174.1 | -157.2 | -23.8 | 0 | 0 | 0 | 110.1 | D1135 | D1133-D1135 VanDerWaalsContact C-N 3.28Å; D1133-D1135 PolarHBondContact OD1-N 3.4Å |
| 1134 | L | 49.3 | Very low | 41.4 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -73.2 | -27 | -179.3 | -160.2 | 68.9 | 0 | 0 | 0 | 111.1 | L1137 M1138 | L1134-L1137 HydrophobicContact CD1-CD2 4.38Å; L1134-L1137 PolarHBondContact O-N 3.48Å; L1134-M1138 PolarHBondContact O-N 3.29Å |
| 1135 | D | 55.8 | Low | 41.1 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -65.7 | -38.3 | 178 | -144.3 | 43.6 | 0 | 0 | 0 | 111.4 | D1133 L1137 M1138 A1139 | D1133-D1135 VanDerWaalsContact C-N 3.28Å; D1133-D1135 PolarHBondContact OD1-N 3.4Å; D1135-L1137 VanDerWaalsContact C-N 3.29Å; D1135-L1137 PolarHBondContact O-N 3.25Å; D1135-M1138 PolarHBondContact O-N 2.93Å; D1135-A1139 PolarHBondContact O-N 3.38Å |
| 1136 | T | 53.9 | Low | 40.9 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -67.4 | -27.6 | 174.3 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | A1139 | T1136-A1139 PolarHBondContact O-N 3.49Å |
| 1137 | L | 49.1 | Very low | 40.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -75.8 | -26.9 | 178.3 | -169.9 | 65.3 | 0 | 0 | 0 | 112.5 | L1134 D1135 | L1134-L1137 HydrophobicContact CD1-CD2 4.38Å; L1134-L1137 PolarHBondContact O-N 3.48Å; D1135-L1137 VanDerWaalsContact C-N 3.29Å; D1135-L1137 PolarHBondContact O-N 3.25Å |
| 1138 | M | 49.7 | Very low | 40.8 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 64% | 0.64 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -82.1 | -14.6 | 175.1 | -60.5 | -156.6 | -56.2 | 0 | 0 | 113.2 | L1134 D1135 E1140 | L1134-M1138 PolarHBondContact O-N 3.29Å; D1135-M1138 PolarHBondContact O-N 2.93Å; M1138-E1140 PolarHBondContact O-N 2.99Å |
| 1139 | A | 51 | Low | 40.8 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -13.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1135 T1136 | D1135-A1139 PolarHBondContact O-N 3.38Å; T1136-A1139 PolarHBondContact O-N 3.49Å |
| 1140 | E | 47.8 | Very low | 40.3 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 27.4 | -170.1 | -149.2 | 177.1 | -175.5 | 0 | 0 | 114.6 | M1138 | M1138-E1140 PolarHBondContact O-N 2.99Š|
| 1141 | Q | 39.7 | Very low | 40.2 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | | | trans | -136.3 | 60 | 174.3 | -74.3 | -64.5 | -79.4 | 0 | 0 | 113.7 | | |
| 1142 | H | 33 | Very low | 39.9 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | -115.1 | 89.9 | 169.8 | -81.1 | -65.3 | 0 | 0 | 0 | 112.7 | | |
| 1143 | A | 31.1 | Very low | 39.2 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | | | trans | -134.3 | 57.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1144 | T | 29.8 | Very low | 38.5 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | | | trans | -75.3 | 125.3 | -178.8 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1145 | W | 27.9 | Very low | 37.9 | Very low | 247 Ų | 247 | 141.2 Ų | 141.2 | 94% | 0.936 | 74% | 0.743 | S | S | * | * | | | trans | -65.2 | 141.6 | 173.9 | -67.1 | 72 | 0 | 0 | 0 | 110.6 | | |
| 1146 | Y | 26.8 | Very low | 36.7 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 82% | 0.82 | 75% | 0.745 | S | S | * | * | | | trans | -123.8 | 131.6 | 176.5 | -137.2 | -90.7 | 0 | 0 | 0 | 111.5 | | |
| 1147 | V | 34.4 | Very low | 35.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | -96.5 | 142.5 | 172.9 | 176 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1148 | P | 35.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -60.3 | 147.4 | -172 | -25.6 | 35.4 | 0 | 0 | 0 | 114.5 | | |
| 1149 | S | 32.4 | Very low | 34.6 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | -154.1 | 115.4 | 166.5 | -75.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1150 | D | 30.8 | Very low | 33.7 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | -74.2 | 137.2 | -177 | -49.5 | -93.7 | 0 | 0 | 0 | 112.8 | | |
| 1151 | K | 32.1 | Very low | 33 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | | 162.1 | 122.7 | 117.5 | -85.5 | 148.6 | -164.6 | 159 | 0 | 115.1 | | |
| 1152 | T | 33.2 | Very low | 32.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | 59.7 | 112.4 | 137.4 | 61.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1153 | M | 33.2 | Very low | 32.6 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | | 78.1 | 135.5 | 120 | -77 | -175.1 | 168.4 | 0 | 0 | 123 | | |
| 1154 | M | 33.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | trans | 66.2 | 151.4 | 150.5 | -64.9 | -62.7 | -167.3 | 0 | 0 | 117.5 | | |
| 1155 | D | 35.6 | Very low | 33.8 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | cis | -166 | -169.7 | -28.6 | -157.7 | -96.8 | 0 | 0 | 0 | 106.8 | | |
| 1156 | G | 30.7 | Very low | 33.8 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | 86.7 | 100.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1157 | S | 35.4 | Very low | 34.1 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -80.3 | 146.8 | 154.3 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1158 | E | 35.3 | Very low | 34 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | | -175.7 | 165.7 | 120.2 | 55.2 | -169.5 | 102.6 | 0 | 0 | 113.1 | | |
| 1159 | D | 37.4 | Very low | 33.6 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -87.1 | 166.5 | -169.2 | -62.4 | -107 | 0 | 0 | 0 | 114.7 | | |
| 1160 | D | 32.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | | | | 146.6 | 143.6 | 113.3 | -163.4 | -143.2 | 0 | 0 | 0 | 116 | | |
| 1161 | K | 32.6 | Very low | 33.2 | Very low | 166 Ų | 166 | 143 Ų | 143 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | 43.5 | 113.2 | 157.2 | -85.1 | 171.1 | -151 | 70.8 | 0 | 122.8 | | |
| 1162 | A | 33.4 | Very low | 33 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | | 105.1 | 127.7 | 102 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1163 | M | 30.9 | Very low | 32.7 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | | | trans | 65.9 | 125.4 | 134.7 | -63.9 | -79.2 | -103.2 | 0 | 0 | 121.5 | | |
| 1164 | G | 31.5 | Very low | 32.4 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 128.8 | 109.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1165 | P | 55.3 | Low | 31.9 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -108 | 147.5 | 174.9 | 37.7 | -30.7 | 0 | 0 | 0 | 114.1 | | |
| 1166 | W | 28.2 | Very low | 31.5 | Very low | 251 Ų | 251 | 142.2 Ų | 142.2 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | | | trans | 175.3 | 163.3 | 163.1 | -90.5 | -1.3 | 0 | 0 | 0 | 108.5 | | |
| 1167 | E | 31.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | | | cis | -163.7 | 166.6 | -26 | -107.3 | -112.1 | 105 | 0 | 0 | 108.6 | | |
| 1168 | K | 32.2 | Very low | 30.7 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | trans | -7.9 | 144.1 | 167.6 | -49.3 | 173.7 | -176.5 | 68.7 | 0 | 120.3 | | |
| 1169 | N | 28.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | | -175.7 | -164.1 | 93 | -105.3 | -41.8 | 0 | 0 | 0 | 115.8 | | |
| 1170 | K | 26.3 | Very low | 29.6 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -152.9 | 161.4 | -147.5 | 177.7 | -178.1 | 175.2 | -179.3 | 0 | 113.5 | | |
| 1171 | S | 27.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 89 | 161.5 | 172 | -32.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1172 | Q | 27.3 | Very low | 29.1 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | cis | -144.8 | -161.1 | 15.8 | -153.5 | 161.4 | -70.1 | 0 | 0 | 113.2 | | |
| 1173 | N | 28.3 | Very low | 28.8 | Very low | 146 Ų | 146 | 151 Ų | 151 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -144.9 | 146.6 | -154.4 | -179.2 | 33.7 | 0 | 0 | 0 | 115.3 | | |
| 1174 | S | 25.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | 53.6 | 127.1 | 148.4 | 163.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1175 | S | 23.7 | Very low | 28.6 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | | -163.2 | 172.6 | 119.2 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1176 | K | 27.3 | Very low | 27.4 | Very low | 187 Ų | 187 | 151.7 Ų | 151.7 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -101.1 | 167.8 | -175 | -52.1 | 170 | -179.1 | 175.5 | 0 | 112.2 | | |
| 1177 | E | 25.7 | Very low | 27.3 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | | | | -174.9 | -166.6 | 107.4 | -101.7 | 164.7 | -169.9 | 0 | 0 | 113.3 | | |
| 1178 | E | 23 | Very low | 27.3 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | -134.7 | 142.7 | -143.6 | 171.3 | -176 | 150.6 | 0 | 0 | 114.4 | | |
| 1179 | S | 25.2 | Very low | 27.1 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | 175.7 | 137.2 | 140.7 | -81.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1180 | E | 25.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 36.1 | 131.3 | 142.4 | -59 | -154.2 | 106.7 | 0 | 0 | 128 | | |
| 1181 | L | 28.6 | Very low | 27.8 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | 44.1 | 127.6 | 135.9 | -79.8 | 103.1 | 0 | 0 | 0 | 124.8 | | |
| 1182 | S | 26 | Very low | 27.8 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | | 159.3 | 138.4 | 104.4 | -81.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1183 | Q | 27.8 | Very low | 27.9 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | 61.1 | 164.2 | 147 | -61.1 | 174.9 | 26.4 | 0 | 0 | 118.3 | | |
| 1184 | S | 25.3 | Very low | 27.9 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | cis | -148.1 | 160.5 | -5.1 | 41 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1185 | K | 31.7 | Very low | 28.1 | Very low | 178 Ų | 178 | 125 Ų | 125 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | cis | 74.5 | 112.8 | 38.7 | -172.3 | -89.2 | 174.1 | -168.2 | 0 | 112.4 | | |
| 1186 | T | 30.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | cis | -137.5 | -162.9 | 20.3 | -11.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1187 | G | 27.2 | Very low | 28.3 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | cis | 176.6 | -170.6 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1188 | A | 30.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 113.1 Ų | 113.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -153.1 | 150.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1189 | V | 27.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 108.5 Ų | 108.5 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -152.7 | 145.2 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1190 | A | 30.3 | Very low | 28.9 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | trans | -141.9 | 162.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1191 | P | 39.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 107.4 Ų | 107.4 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | cis | -147.4 | -160.6 | 42.6 | 43.5 | -22.1 | 0 | 0 | 0 | 114.7 | | |
| 1192 | G | 27.2 | Very low | 29.2 | Very low | 73 Ų | 73 | 104.3 Ų | 104.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | 148.9 | 118.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1193 | A | 30.6 | Very low | 29.3 | Very low | 95 Ų | 95 | 103.8 Ų | 103.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -72.2 | 168.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1194 | G | 28.3 | Very low | 29.4 | Very low | 80 Ų | 80 | 103 Ų | 103 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | 134 | 133 | 141 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1195 | G | 27.9 | Very low | 29.7 | Very low | 87 Ų | 87 | 105 Ų | 105 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | trans | 96.2 | 145 | 165 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1196 | G | 28.2 | Very low | 29.8 | Very low | 83 Ų | 83 | 104.7 Ų | 104.7 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -156.3 | -176.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1197 | G | 27.2 | Very low | 29.9 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 122 | 114.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1198 | G | 27.6 | Very low | 30.1 | Very low | 89 Ų | 89 | 108.7 Ų | 108.7 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | | | trans | 52.2 | 122.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1199 | G | 28.7 | Very low | 30.1 | Very low | 82 Ų | 82 | 111.1 Ų | 111.1 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | trans | -177.6 | 107.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1200 | S | 30.5 | Very low | 30 | Very low | 124 Ų | 124 | 108.9 Ų | 108.9 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -95.5 | 171 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1201 | S | 30.5 | Very low | 29.9 | Very low | 132 Ų | 132 | 111 Ų | 111 | 92% | 0.923 | 82% | 0.815 | S | S | * | * | | | trans | 80 | 132.4 | 179.4 | -156.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1202 | G | 29.2 | Very low | 29.4 | Very low | 75 Ų | 75 | 113.7 Ų | 113.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | cis | 172.1 | 177.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1203 | G | 29.6 | Very low | 29.5 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | 124.9 | 127.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1204 | N | 29.4 | Very low | 29.6 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | | | trans | -79.9 | 144.1 | 175.9 | -70.5 | -34.8 | 0 | 0 | 0 | 112 | | |
| 1205 | H | 30.7 | Very low | 29.9 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 67% | 0.667 | 83% | 0.825 | S | S | * | * | | | trans | -157.7 | 116.5 | 139.9 | -172.4 | -131.9 | 0 | 0 | 0 | 111.1 | Q1207 | H1205-Q1207 VanDerWaalsContact CE1-CG 3.48Å; H1205-Q1207 WeakPolarHBondContact CE1-CG 3.3Å; H1205-Q1207 PolarHBondContact CE1-NE2 3.48Å; H1205-Q1207 PolarHBondContact NE2-NE2 3.21Å |
| 1206 | L | 34.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -87.1 | 116.8 | 166.5 | -73.9 | 168.7 | 0 | 0 | 0 | 108.7 | | |
| 1207 | Q | 31.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | | | trans | -142.3 | 129.5 | 158.2 | -100 | -176.5 | 14.8 | 0 | 0 | 111.3 | H1205 | H1205-Q1207 VanDerWaalsContact CE1-CG 3.48Å; H1205-Q1207 WeakPolarHBondContact CE1-CG 3.3Å; H1205-Q1207 PolarHBondContact CE1-NE2 3.48Å; H1205-Q1207 PolarHBondContact NE2-NE2 3.21Å |
| 1208 | C | 31.9 | Very low | 30.8 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | | | trans | -75 | 131.4 | 170.8 | -53 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1209 | L | 30.4 | Very low | 31.2 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | | | trans | -119.1 | 115.4 | 168.7 | -75 | 176.8 | 0 | 0 | 0 | 110.9 | | |
| 1210 | S | 26 | Very low | 31.3 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | -63.3 | 138.1 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1211 | V | 29.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | | | trans | -97.2 | 97.3 | 176.6 | -163.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1212 | H | 28.7 | Very low | 31.4 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 73% | 0.731 | 81% | 0.812 | S | S | * | * | | | trans | -72.8 | 126.6 | 167.7 | -84.3 | -107.4 | 0 | 0 | 0 | 110 | T1214 | H1212-T1214 PolarHBondContact O-N 2.98Š|
| 1213 | C | 28.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 86% | 0.858 | 82% | 0.821 | S | S | * | * | | | trans | -88.5 | 94.1 | 166.7 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1214 | T | 32.6 | Very low | 32 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | | | trans | -85.2 | 128.7 | 167.1 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | H1212 | H1212-T1214 PolarHBondContact O-N 2.98Š|
| 1215 | D | 35.9 | Very low | 32 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | -81.2 | 122.8 | 170.7 | -178.5 | 49.3 | 0 | 0 | 0 | 109.5 | | |
| 1216 | E | 31.5 | Very low | 32.5 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -145.4 | 130.2 | 169 | -156.7 | -173.4 | 129.2 | 0 | 0 | 110.8 | | |
| 1217 | L | 39.9 | Very low | 32.6 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -113.6 | 95.3 | -169.1 | -175.5 | 70.6 | 0 | 0 | 0 | 111.4 | | |
| 1218 | G | 30.9 | Very low | 33 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -95 | 106.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1219 | D | 34.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -81.6 | 122.2 | 174.4 | -157.5 | -36.8 | 0 | 0 | 0 | 110.8 | | |
| 1220 | S | 32 | Very low | 33.8 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -157.9 | 124.3 | 179.2 | -87.5 | 0 | 0 | 0 | 0 | 114.1 | G1222 | S1220-G1222 PolarHBondContact O-N 3.38Š|
| 1221 | K | 33 | Very low | 34.4 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | | | trans | -99.1 | 72.3 | -163.6 | -168 | 173.2 | -179.1 | 173.5 | 0 | 113.3 | | |
| 1222 | G | 30.6 | Very low | 35.1 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -96.9 | 164.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1220 | S1220-G1222 PolarHBondContact O-N 3.38Š|
| 1223 | R | 34 | Very low | 35.9 | Very low | 256 Ų | 256 | 135.8 Ų | 135.8 | 97% | 0.966 | 78% | 0.779 | S | S | * | * | | | trans | -90.4 | 121.3 | -177.5 | -72.5 | -173.9 | 179.3 | -167.4 | 5 | 114.1 | | |
| 1224 | G | 36.8 | Very low | 36.6 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | | | | 66.6 | 96.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1225 | G | 30.3 | Very low | 37.1 | Very low | 58 Ų | 58 | 134 Ų | 134 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | trans | -161.6 | 148 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1226 | P | 40.9 | Very low | 37.6 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | | | trans | -77.5 | 125.2 | -180 | 30.4 | -33.1 | 0 | 0 | 0 | 111.6 | S1228 | P1226-S1228 PolarHBondContact O-N 3.49Š|
| 1227 | V | 34.8 | Very low | 38.6 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | | | trans | -95.5 | 98.8 | -173.7 | -173 | 0 | 0 | 0 | 0 | 111.6 | S1229 | V1227-S1229 PolarHBondContact O-N 2.91Š|
| 1228 | S | 39.5 | Very low | 39.1 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -74.4 | 0.2 | -178.9 | -53.7 | 0 | 0 | 0 | 0 | 115.6 | P1226 W1230 | P1226-S1228 PolarHBondContact O-N 3.49Å; S1228-W1230 PolarHBondContact O-N 2.88Å |
| 1229 | S | 43.6 | Very low | 39.8 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -75.4 | -18.5 | -164.8 | -156 | 0 | 0 | 0 | 0 | 115.7 | V1227 R1231 S1232 | V1227-S1229 PolarHBondContact O-N 2.91Å; S1229-R1231 PolarHBondContact O-N 3.39Å; S1229-S1232 PolarHBondContact O-N 3.49Å |
| 1230 | W | 36.7 | Very low | 40.8 | Very low | 212 Ų | 212 | 123.6 Ų | 123.6 | 80% | 0.803 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -66.3 | -9 | -169.9 | -81.6 | 81.8 | 0 | 0 | 0 | 116.3 | S1228 | S1228-W1230 PolarHBondContact O-N 2.88Š|
| 1231 | R | 39.4 | Very low | 41.8 | Very low | 218 Ų | 218 | 125.5 Ų | 125.5 | 82% | 0.823 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -86.6 | -23.5 | 171.2 | -76.2 | -177.1 | 172.4 | -107.3 | -0.4 | 113.9 | S1229 S1235 | S1229-R1231 PolarHBondContact O-N 3.39Å; R1231-S1235 PolarHBondContact O-OG 3.03Å |
| 1232 | S | 44.2 | Very low | 42.8 | Very low | 77 Ų | 77 | 117 Ų | 117 | 54% | 0.538 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.8 | -37.9 | -170.5 | -155.6 | 0 | 0 | 0 | 0 | 113.3 | S1229 H1234 S1235 D1236 | S1229-S1232 PolarHBondContact O-N 3.49Å; S1232-H1234 VanDerWaalsContact C-N 3.35Å; S1232-H1234 PolarHBondContact O-N 2.98Å; S1232-S1235 PolarHBondContact O-N 3.31Å; S1232-S1235 VanDerWaalsContact O-N 3.11Å; S1232-D1236 PolarHBondContact O-N 3.47Å |
| 1233 | I | 45.3 | Very low | 43.8 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.8 | -38.9 | -176.5 | -56.9 | 174.8 | 0 | 0 | 0 | 111.3 | I1237 | I1233-I1237 HydrophobicContact CG2-CD1 3.97Å; I1233-I1237 WeakPolarHBondContact O-CG1 3.36Å; I1233-I1237 PolarHBondContact O-N 2.72Å |
| 1234 | H | 41.9 | Very low | 44.3 | Very low | 149 Ų | 149 | 113.3 Ų | 113.3 | 69% | 0.69 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.8 | -35.1 | 174.4 | -83.6 | -93.4 | 0 | 0 | 0 | 112.6 | S1232 S1238 | S1232-H1234 VanDerWaalsContact C-N 3.35Å; S1232-H1234 PolarHBondContact O-N 2.98Å; H1234-S1238 WeakPolarHBondContact O-CB 3.47Å; H1234-S1238 PolarHBondContact O-N 3.06Å |
| 1235 | S | 44.5 | Very low | 45.4 | Very low | 68 Ų | 68 | 113.3 Ų | 113.3 | 48% | 0.476 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70 | -41.4 | 177.3 | -66 | 0 | 0 | 0 | 0 | 112.8 | R1231 S1232 S1238 N1239 | R1231-S1235 PolarHBondContact O-OG 3.03Å; S1232-S1235 PolarHBondContact O-N 3.31Å; S1232-S1235 VanDerWaalsContact O-N 3.11Å; S1235-S1238 PolarHBondContact O-N 3.23Å; S1235-N1239 WeakPolarHBondContact O-CB 3.46Å; S1235-N1239 PolarHBondContact O-N 3.2Å |
| 1236 | D | 46.3 | Very low | 46.5 | Very low | 71 Ų | 71 | 114.1 Ų | 114.1 | 38% | 0.38 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.3 | -43.9 | 179.9 | -163.7 | -0.7 | 0 | 0 | 0 | 111.6 | S1232 S1238 N1239 R1240 | S1232-D1236 PolarHBondContact O-N 3.47Å; D1236-S1238 VanDerWaalsContact C-N 3.33Å; D1236-S1238 PolarHBondContact O-N 3.31Å; D1236-N1239 PolarHBondContact O-N 2.96Å; D1236-R1240 VanDerWaalsContact CG-NH2 3.31Å; D1236-R1240 WeakPolarHBondContact O-CG 3.18Å; D1236-R1240 PolarHBondContact O-N 3.21Å; D1236-R1240 IonicContact OD1-CZ 3.96Å; D1236-R1240 VanDerWaalsContact OD1-CZ 3.3Å; D1236-R1240 IonicContact OD1-NE 3.04Å; D1236-R1240 PolarHBondContact OD1-NE 3.3Å; D1236-R1240 IonicContact OD1-NH2 3.3Å; D1236-R1240 PolarHBondContact OD1-NH2 3.13Å; D1236-R1240 IonicContact OD2-CZ 3.96Å; D1236-R1240 IonicContact OD2-NE 2.79Å; D1236-R1240 IonicContact OD2-NH2 3.64Å; D1236-R1240 PolarHBondContact OD2-NH2 2.8Å |
| 1237 | I | 52.8 | Low | 46.8 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 52% | 0.523 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.7 | -43 | 173.3 | -65.1 | 169.9 | 0 | 0 | 0 | 110.9 | I1233 R1240 F1241 | I1233-I1237 HydrophobicContact CG2-CD1 3.97Å; I1233-I1237 WeakPolarHBondContact O-CG1 3.36Å; I1233-I1237 PolarHBondContact O-N 2.72Å; I1237-R1240 PolarHBondContact O-N 3.42Å; I1237-F1241 PolarHBondContact O-N 2.9Å |
| 1238 | S | 49.9 | Very low | 47.3 | Very low | 78 Ų | 78 | 110.9 Ų | 110.9 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.2 | -38.1 | 178 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | H1234 S1235 D1236 G1242 | H1234-S1238 WeakPolarHBondContact O-CB 3.47Å; H1234-S1238 PolarHBondContact O-N 3.06Å; S1235-S1238 PolarHBondContact O-N 3.23Å; D1236-S1238 VanDerWaalsContact C-N 3.33Å; D1236-S1238 PolarHBondContact O-N 3.31Å; S1238-G1242 PolarHBondContact O-N 3.3Å |
| 1239 | N | 45.8 | Very low | 47.6 | Very low | 111 Ų | 111 | 113.5 Ų | 113.5 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.5 | -44.3 | 176.8 | -82.3 | -5.5 | 0 | 0 | 0 | 111.3 | S1235 D1236 F1241 G1242 T1243 | S1235-N1239 WeakPolarHBondContact O-CB 3.46Å; S1235-N1239 PolarHBondContact O-N 3.2Å; D1236-N1239 PolarHBondContact O-N 2.96Å; N1239-F1241 VanDerWaalsContact C-N 3.34Å; N1239-F1241 PolarHBondContact O-N 3.36Å; N1239-G1242 PolarHBondContact O-N 3.09Å; N1239-G1242 VanDerWaalsContact O-N 3.12Å; N1239-T1243 PolarHBondContact O-N 3.32Å; N1239-T1243 PolarHBondContact O-OG1 3.48Å; N1239-T1243 VanDerWaalsContact O-OG1 3.08Å |
| 1240 | R | 55 | Low | 47.8 | Very low | 168 Ų | 168 | 115.4 Ų | 115.4 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 178 | -66.3 | 177.6 | -156.9 | -123.9 | 3.8 | 112 | D1236 I1237 F1244 | D1236-R1240 VanDerWaalsContact CG-NH2 3.31Å; D1236-R1240 WeakPolarHBondContact O-CG 3.18Å; D1236-R1240 PolarHBondContact O-N 3.21Å; D1236-R1240 IonicContact OD1-CZ 3.96Å; D1236-R1240 VanDerWaalsContact OD1-CZ 3.3Å; D1236-R1240 IonicContact OD1-NE 3.04Å; D1236-R1240 PolarHBondContact OD1-NE 3.3Å; D1236-R1240 IonicContact OD1-NH2 3.3Å; D1236-R1240 PolarHBondContact OD1-NH2 3.13Å; D1236-R1240 IonicContact OD2-CZ 3.96Å; D1236-R1240 IonicContact OD2-NE 2.79Å; D1236-R1240 IonicContact OD2-NH2 3.64Å; D1236-R1240 PolarHBondContact OD2-NH2 2.8Å; I1237-R1240 PolarHBondContact O-N 3.42Å; R1240-F1244 WeakPolarHBondContact O-CB 3.21Å; R1240-F1244 PolarHBondContact O-N 3.3Å |
| 1241 | F | 52 | Low | 48.4 | Very low | 152 Ų | 152 | 110.3 Ų | 110.3 | 67% | 0.667 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 170.7 | -114.1 | -89.1 | 0 | 0 | 0 | 112.4 | I1237 N1239 F1244 V1245 | I1237-F1241 PolarHBondContact O-N 2.9Å; N1239-F1241 VanDerWaalsContact C-N 3.34Å; N1239-F1241 PolarHBondContact O-N 3.36Å; F1241-F1244 PolarHBondContact O-N 2.86Å; F1241-V1245 WeakPolarHBondContact O-CG2 3.26Å; F1241-V1245 PolarHBondContact O-N 3.08Å |
| 1242 | G | 55 | Low | 48.9 | Very low | 40 Ų | 40 | 104.3 Ų | 104.3 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.5 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1238 N1239 F1244 V1245 A1246 | S1238-G1242 PolarHBondContact O-N 3.3Å; N1239-G1242 PolarHBondContact O-N 3.09Å; N1239-G1242 VanDerWaalsContact O-N 3.12Å; G1242-F1244 PolarHBondContact O-N 2.72Å; G1242-V1245 PolarHBondContact O-N 3.22Å; G1242-A1246 VanDerWaalsContact O-CB 3.28Å; G1242-A1246 WeakPolarHBondContact O-CB 3.33Å; G1242-A1246 PolarHBondContact O-N 2.83Å |
| 1243 | T | 51.6 | Low | 49.2 | Very low | 101 Ų | 101 | 105.9 Ų | 105.9 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -38 | 176 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | N1239 A1246 A1247 | N1239-T1243 PolarHBondContact O-N 3.32Å; N1239-T1243 PolarHBondContact O-OG1 3.48Å; N1239-T1243 VanDerWaalsContact O-OG1 3.08Å; T1243-A1246 PolarHBondContact O-N 2.83Å; T1243-A1247 WeakPolarHBondContact O-CB 3.32Å; T1243-A1247 PolarHBondContact O-N 3.24Å |
| 1244 | F | 43.9 | Very low | 49.4 | Very low | 152 Ų | 152 | 106 Ų | 106 | 67% | 0.667 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.9 | -36.1 | 179.2 | -150.5 | -90.8 | 0 | 0 | 0 | 112.5 | R1240 F1241 G1242 L1248 | R1240-F1244 WeakPolarHBondContact O-CB 3.21Å; R1240-F1244 PolarHBondContact O-N 3.3Å; F1241-F1244 PolarHBondContact O-N 2.86Å; G1242-F1244 PolarHBondContact O-N 2.72Å; F1244-L1248 HydrophobicContact CD1-CD1 3.8Å; F1244-L1248 HydrophobicContact CE1-CD1 3.72Å |
| 1245 | V | 59.2 | Low | 49.9 | Very low | 85 Ų | 85 | 103.1 Ų | 103.1 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.2 | -40.1 | 173.5 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | F1241 G1242 A1247 L1248 T1249 | F1241-V1245 WeakPolarHBondContact O-CG2 3.26Å; F1241-V1245 PolarHBondContact O-N 3.08Å; G1242-V1245 PolarHBondContact O-N 3.22Å; V1245-A1247 PolarHBondContact O-N 2.68Å; V1245-L1248 PolarHBondContact O-N 2.88Å; V1245-L1248 VanDerWaalsContact O-N 3.07Å; V1245-T1249 PolarHBondContact O-N 3.38Å; V1245-T1249 PolarHBondContact O-OG1 3Å |
| 1246 | A | 53.4 | Low | 50.3 | Low | 76 Ų | 76 | 105.6 Ų | 105.6 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70 | -12.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1242 T1243 | G1242-A1246 VanDerWaalsContact O-CB 3.28Å; G1242-A1246 WeakPolarHBondContact O-CB 3.33Å; G1242-A1246 PolarHBondContact O-N 2.83Å; T1243-A1246 PolarHBondContact O-N 2.83Å |
| 1247 | A | 48.7 | Very low | 50.6 | Low | 80 Ų | 80 | 108.3 Ų | 108.3 | 66% | 0.661 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 4.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1243 V1245 | T1243-A1247 WeakPolarHBondContact O-CB 3.32Å; T1243-A1247 PolarHBondContact O-N 3.24Å; V1245-A1247 PolarHBondContact O-N 2.68Å |
| 1248 | L | 45.8 | Very low | 50.4 | Low | 91 Ų | 91 | 108.8 Ų | 108.8 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | | | trans | -124.5 | 13.2 | -179.4 | -91.5 | 166 | 0 | 0 | 0 | 112.6 | F1244 V1245 | F1244-L1248 HydrophobicContact CD1-CD1 3.8Å; F1244-L1248 HydrophobicContact CE1-CD1 3.72Å; V1245-L1248 PolarHBondContact O-N 2.88Å; V1245-L1248 VanDerWaalsContact O-N 3.07Å |
| 1249 | T | 45 | Very low | 50.5 | Low | 172 Ų | 172 | 111.6 Ų | 111.6 | 100% | 1.055 | 63% | 0.63 | S | S | * | * | | | trans | -124.9 | 0 | 177.4 | -44.9 | 0 | 0 | 0 | 0 | 109.6 | V1245 | V1245-T1249 PolarHBondContact O-N 3.38Å; V1245-T1249 PolarHBondContact O-OG1 3Å |