| 1 | M | 46.5 | Very low | 45 | Very low | 196 Ų | 196 | 111.9 Ų | 111.9 | 97% | 0.966 | 60% | 0.602 | S | S | * | * | | | | 0 | -60.9 | 0 | -75.7 | 160.1 | 172.8 | 0 | 0 | 110.8 | I3 M4 | M1-I3 PolarHBondContact O-N 3.16Å; M1-M4 PolarHBondContact O-N 3.45Å |
| 2 | T | 40.2 | Very low | 44.9 | Very low | 110 Ų | 110 | 112.3 Ų | 112.3 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -48.5 | -21.7 | -175.6 | -28.1 | 0 | 0 | 0 | 0 | 117.7 | T5 | T2-T5 WeakPolarHBondContact CA-OG1 3.36Å; T2-T5 PolarHBondContact O-OG1 3.44Å |
| 3 | I | 46.4 | Very low | 44.8 | Very low | 143 Ų | 143 | 111.2 Ų | 111.2 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -79.7 | -35.9 | 175.5 | -61.6 | 176.1 | 0 | 0 | 0 | 111.4 | M1 | M1-I3 PolarHBondContact O-N 3.16Å |
| 4 | M | 48.2 | Very low | 44.3 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.8 | -31.3 | -179.7 | -64.4 | -174.1 | -65.5 | 0 | 0 | 112.4 | M1 N6 E7 I8 | M1-M4 PolarHBondContact O-N 3.45Å; M4-N6 VanDerWaalsContact C-N 3.3Å; M4-N6 PolarHBondContact O-N 3.04Å; M4-E7 PolarHBondContact O-N 3.49Å; M4-I8 WeakPolarHBondContact O-CG1 3.49Å; M4-I8 PolarHBondContact O-N 3.23Å |
| 5 | T | 50.8 | Low | 43.9 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 45% | 0.454 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.4 | -37.5 | 175.6 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | T2 I8 C9 | T2-T5 WeakPolarHBondContact CA-OG1 3.36Å; T2-T5 PolarHBondContact O-OG1 3.44Å; T5-I8 PolarHBondContact O-N 2.91Å; T5-C9 PolarHBondContact O-N 3.06Å |
| 6 | N | 40.7 | Very low | 43.6 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.8 | -33.6 | -178.6 | -66.3 | -4.6 | 0 | 0 | 0 | 112.7 | M4 S10 | M4-N6 VanDerWaalsContact C-N 3.3Å; M4-N6 PolarHBondContact O-N 3.04Å; N6-S10 WeakPolarHBondContact O-CB 3.37Å; N6-S10 PolarHBondContact O-N 3.17Å; N6-S10 VanDerWaalsContact O-N 3.1Å; N6-S10 PolarHBondContact O-OG 2.93Å |
| 7 | E | 46.3 | Very low | 43.1 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.6 | -46.1 | 172.9 | -65.9 | -106.1 | 106.2 | 0 | 0 | 110.5 | M4 S10 I11 | M4-E7 PolarHBondContact O-N 3.49Å; E7-S10 WeakPolarHBondContact O-CB 3.34Å; E7-S10 PolarHBondContact O-N 3.29Å; E7-S10 VanDerWaalsContact O-N 3.14Å; E7-I11 WeakPolarHBondContact O-CG1 3.35Å; E7-I11 PolarHBondContact O-N 3.28Å |
| 8 | I | 49.2 | Very low | 42.7 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -62.4 | -47.2 | 179.8 | -67 | 166.6 | 0 | 0 | 0 | 111.2 | M4 T5 S10 I11 L12 | M4-I8 WeakPolarHBondContact O-CG1 3.49Å; M4-I8 PolarHBondContact O-N 3.23Å; T5-I8 PolarHBondContact O-N 2.91Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 2.96Å; I8-I11 PolarHBondContact O-N 3.37Å; I8-I11 VanDerWaalsContact O-N 3.11Å; I8-L12 HydrophobicContact CG2-CD1 3.89Å; I8-L12 VanDerWaalsContact O-CD1 3.22Å; I8-L12 WeakPolarHBondContact O-CD1 3.33Å; I8-L12 PolarHBondContact O-N 3.1Å; I8-L12 VanDerWaalsContact O-N 3.07Å |
| 9 | C | 37.9 | Very low | 42.3 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 54% | 0.541 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -59.8 | -38.8 | 173.7 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | T5 I11 L12 S13 | T5-C9 PolarHBondContact O-N 3.06Å; C9-I11 VanDerWaalsContact C-N 3.26Å; C9-I11 PolarHBondContact O-N 2.97Å; C9-L12 PolarHBondContact O-N 3.45Å; C9-S13 PolarHBondContact O-N 3.05Å; C9-S13 PolarHBondContact O-OG 3.4Å |
| 10 | S | 43.3 | Very low | 41.8 | Very low | 51 Ų | 51 | 123.7 Ų | 123.7 | 36% | 0.357 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.5 | -25 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | N6 E7 I8 R14 | N6-S10 WeakPolarHBondContact O-CB 3.37Å; N6-S10 PolarHBondContact O-N 3.17Å; N6-S10 VanDerWaalsContact O-N 3.1Å; N6-S10 PolarHBondContact O-OG 2.93Å; E7-S10 WeakPolarHBondContact O-CB 3.34Å; E7-S10 PolarHBondContact O-N 3.29Å; E7-S10 VanDerWaalsContact O-N 3.14Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 2.96Å; S10-R14 VanDerWaalsContact O-CD 3.27Å; S10-R14 WeakPolarHBondContact O-CD 3.38Å; S10-R14 VanDerWaalsContact O-CG 3.24Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-NE 2.88Å |
| 11 | I | 45.8 | Very low | 41.2 | Very low | 110 Ų | 110 | 124 Ų | 124 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.6 | -45.6 | 175.3 | -69.1 | 163.2 | 0 | 0 | 0 | 110.3 | E7 I8 C9 S13 R14 | E7-I11 WeakPolarHBondContact O-CG1 3.35Å; E7-I11 PolarHBondContact O-N 3.28Å; I8-I11 PolarHBondContact O-N 3.37Å; I8-I11 VanDerWaalsContact O-N 3.11Å; C9-I11 VanDerWaalsContact C-N 3.26Å; C9-I11 PolarHBondContact O-N 2.97Å; I11-S13 PolarHBondContact O-N 3.14Å; I11-R14 PolarHBondContact O-N 3.05Å |
| 12 | L | 43.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 61% | 0.613 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.4 | -42.7 | 178.3 | -86 | 80.3 | 0 | 0 | 0 | 112.2 | I8 C9 R14 N15 | I8-L12 HydrophobicContact CG2-CD1 3.89Å; I8-L12 VanDerWaalsContact O-CD1 3.22Å; I8-L12 WeakPolarHBondContact O-CD1 3.33Å; I8-L12 PolarHBondContact O-N 3.1Å; I8-L12 VanDerWaalsContact O-N 3.07Å; C9-L12 PolarHBondContact O-N 3.45Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-R14 VanDerWaalsContact O-N 3.14Å; L12-N15 PolarHBondContact O-N 3.33Å |
| 13 | S | 42.8 | Very low | 40.2 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -6.2 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 115.3 | C9 I11 | C9-S13 PolarHBondContact O-N 3.05Å; C9-S13 PolarHBondContact O-OG 3.4Å; I11-S13 PolarHBondContact O-N 3.14Å |
| 14 | R | 39 | Very low | 39.5 | Very low | 198 Ų | 198 | 123.8 Ų | 123.8 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -15.6 | 178.4 | -72.3 | 175 | -162.5 | 173.2 | 9.6 | 114.2 | S10 I11 L12 | S10-R14 VanDerWaalsContact O-CD 3.27Å; S10-R14 WeakPolarHBondContact O-CD 3.38Å; S10-R14 VanDerWaalsContact O-CG 3.24Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-NE 2.88Å; I11-R14 PolarHBondContact O-N 3.05Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-R14 VanDerWaalsContact O-N 3.14Å |
| 15 | N | 38 | Very low | 38.6 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -98.2 | 0 | -171.6 | -144.2 | 9 | 0 | 0 | 0 | 114 | L12 N17 | L12-N15 PolarHBondContact O-N 3.33Å; N15-N17 PolarHBondContact O-N 3.5Å |
| 16 | T | 39.2 | Very low | 37.8 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | | | trans | -98.8 | 61 | -176.8 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 17 | N | 34.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | | | trans | -149.2 | 48 | -179.4 | -158.2 | 15.8 | 0 | 0 | 0 | 116.7 | N15 | N15-N17 PolarHBondContact O-N 3.5Š|
| 18 | T | 36.5 | Very low | 36.5 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -150.1 | 114.9 | 157.5 | 6.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 19 | T | 34.8 | Very low | 35.4 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | | | trans | 40 | 97.1 | 146.1 | 56.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 20 | N | 31.8 | Very low | 35.3 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | | | | -155.4 | 143.8 | 99.4 | -122.1 | -18.5 | 0 | 0 | 0 | 112.2 | | |
| 21 | T | 29.7 | Very low | 34.6 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -108.4 | 111.6 | -169.8 | 48 | 0 | 0 | 0 | 0 | 113.7 | | |
| 22 | T | 34.3 | Very low | 33.9 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -159.4 | 148 | 149.2 | 12.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 23 | N | 30.8 | Very low | 33.6 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -5.1 | 132.8 | 169.3 | -53.5 | -29.1 | 0 | 0 | 0 | 117 | | |
| 24 | I | 31.9 | Very low | 33.3 | Very low | 158 Ų | 158 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | cis | -138.1 | 143.5 | 48.3 | -69.4 | 149 | 0 | 0 | 0 | 111.5 | | |
| 25 | N | 28.9 | Very low | 33.2 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -119.4 | 91.2 | -177.3 | 177.4 | 30 | 0 | 0 | 0 | 112 | | |
| 26 | T | 34.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -160.8 | 128.8 | 161.9 | 19.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 27 | T | 30.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 59.5 | 84.6 | 146.6 | -42 | 0 | 0 | 0 | 0 | 118.8 | | |
| 28 | Y | 29.2 | Very low | 33.6 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 92% | 0.918 | 79% | 0.787 | S | S | * | * | | | trans | -142.7 | 106.7 | 136.3 | -103.9 | -77.8 | 0 | 0 | 0 | 108.7 | | |
| 29 | N | 27.2 | Very low | 33.9 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | -161 | 57.3 | -178.9 | -162.7 | 54.4 | 0 | 0 | 0 | 112 | | |
| 30 | S | 35.9 | Very low | 34.2 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -161.5 | 113.1 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 31 | D | 28.7 | Very low | 34.7 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | 3.8 | 113.4 | 151.8 | -45.2 | -55.2 | 0 | 0 | 0 | 118.4 | | |
| 32 | C | 30.7 | Very low | 35.1 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | | | trans | -124.5 | 125.4 | 156.4 | -83.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 33 | T | 37.1 | Very low | 35.3 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | | | trans | -79.2 | 165.7 | 178 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | D35 | T33-D35 VanDerWaalsContact C-N 3.26Å; T33-D35 PolarHBondContact O-N 3.37Å |
| 34 | T | 36.1 | Very low | 35.5 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -76.2 | 65.4 | -177.3 | 54.3 | 0 | 0 | 0 | 0 | 113 | | |
| 35 | D | 37.1 | Very low | 35.8 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -145 | 20.8 | 179.3 | -78.5 | -63.3 | 0 | 0 | 0 | 113.1 | T33 | T33-D35 VanDerWaalsContact C-N 3.26Å; T33-D35 PolarHBondContact O-N 3.37Å |
| 36 | S | 40 | Very low | 36.1 | Very low | 68 Ų | 68 | 130.8 Ų | 130.8 | 48% | 0.476 | 73% | 0.732 | S | S | . | * | | | trans | -153.2 | 42.8 | -176 | -162.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 37 | M | 40 | Very low | 36.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.7 | -19.7 | 172.8 | -80.3 | -173 | 169.9 | 0 | 0 | 113.9 | | |
| 38 | D | 40.4 | Very low | 36.5 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -75.2 | -43.6 | 176.8 | -57 | -85.9 | 0 | 0 | 0 | 111.5 | I40 L41 | D38-I40 PolarHBondContact O-N 3.2Å; D38-L41 PolarHBondContact O-N 3.39Å; D38-L41 VanDerWaalsContact O-N 3.1Å |
| 39 | D | 43.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -61.7 | -17.4 | -179.7 | -62.6 | -46 | 0 | 0 | 0 | 114.7 | | |
| 40 | I | 41.6 | Very low | 37 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 54% | 0.544 | 74% | 0.739 | S | S | . | * | H | α-helix | trans | -91.9 | -16.7 | -178.4 | -63.2 | 178.1 | 0 | 0 | 0 | 111.7 | D38 | D38-I40 PolarHBondContact O-N 3.2Å |
| 41 | L | 41.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -89 | -30.6 | 178.2 | -72 | 171.6 | 0 | 0 | 0 | 113.1 | D38 A43 | D38-L41 PolarHBondContact O-N 3.39Å; D38-L41 VanDerWaalsContact O-N 3.1Å; L41-A43 VanDerWaalsContact C-N 3.32Å |
| 42 | D | 37.8 | Very low | 37.1 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -69.1 | -31.7 | 170.7 | -82.4 | -6.9 | 0 | 0 | 0 | 111.6 | I44 V45 | D42-I44 PolarHBondContact O-N 3.27Å; D42-V45 PolarHBondContact O-N 3.42Å |
| 43 | A | 37.3 | Very low | 37.1 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L41 | L41-A43 VanDerWaalsContact C-N 3.32Š|
| 44 | I | 36.1 | Very low | 36.8 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -1.9 | -178.4 | -65.4 | 176.8 | 0 | 0 | 0 | 111.9 | D42 | D42-I44 PolarHBondContact O-N 3.27Š|
| 45 | V | 38.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.655 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -21.2 | -176.7 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | D42 E47 | D42-V45 PolarHBondContact O-N 3.42Å; V45-E47 PolarHBondContact O-N 3.45Å |
| 46 | D | 34.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -90.4 | 13.9 | -162.9 | -108.1 | 5.3 | 0 | 0 | 0 | 116.6 | | |
| 47 | E | 38.5 | Very low | 36 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -114.5 | 23.4 | -174.3 | -149.3 | 177.5 | -156.5 | 0 | 0 | 115.1 | V45 | V45-E47 PolarHBondContact O-N 3.45Š|
| 48 | N | 34.3 | Very low | 35.7 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -135.4 | 17.5 | -178 | -77.5 | -87.3 | 0 | 0 | 0 | 115.9 | | |
| 49 | D | 34.5 | Very low | 35.3 | Very low | 168 Ų | 168 | 134 Ų | 134 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | | | trans | -110 | 55.3 | -174.6 | -128.9 | -25 | 0 | 0 | 0 | 113.9 | | |
| 50 | E | 33.5 | Very low | 34.6 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | | | trans | -146.1 | 160.8 | 159.1 | -141.3 | 179 | -157.7 | 0 | 0 | 111.1 | | |
| 51 | V | 33.1 | Very low | 34.3 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 71.1 | 70.7 | -179.5 | -163.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 52 | I | 33.6 | Very low | 33.9 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | | -171.7 | 104.2 | 110.9 | -89.6 | 149.6 | 0 | 0 | 0 | 109.6 | | |
| 53 | S | 30.3 | Very low | 33.5 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -110.7 | 104.4 | 164.8 | 62.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 54 | G | 30.9 | Very low | 33.3 | Very low | 61 Ų | 61 | 140.7 Ų | 140.7 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | trans | -172.8 | 139.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 55 | V | 32.2 | Very low | 33 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | | | trans | 64.3 | 89.3 | 162.6 | -164.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 56 | T | 31.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -97.9 | 143.3 | 156.4 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 57 | K | 31.9 | Very low | 32.2 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | 69.2 | 155.1 | 166.5 | -58.9 | 171.3 | 145.5 | -87.3 | 0 | 115.2 | | |
| 58 | E | 33.4 | Very low | 32 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | | | cis | -154.7 | 158.1 | -10.9 | -132.1 | 114.8 | -132.3 | 0 | 0 | 105.4 | | |
| 59 | E | 32.7 | Very low | 31.7 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | | | cis | -154 | -143.4 | 4.8 | -150.8 | -159.6 | 117.8 | 0 | 0 | 110.9 | | |
| 60 | R | 28.6 | Very low | 31.5 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 75% | 0.751 | 74% | 0.744 | S | S | * | * | | | trans | -49.6 | 165.2 | 170.3 | -65.4 | 172.1 | 161.3 | 98.3 | -4.3 | 114.8 | | |
| 61 | T | 34 | Very low | 31.5 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | | | cis | -168.7 | 167.4 | 33.4 | -22.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 62 | N | 33.8 | Very low | 31.2 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | 73 | 99.8 | 147.2 | -68.2 | -24.6 | 0 | 0 | 0 | 122.6 | | |
| 63 | N | 30.8 | Very low | 31.2 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | | 53 | 122.3 | 110.5 | -69.2 | 9.6 | 0 | 0 | 0 | 123.3 | | |
| 64 | N | 31.9 | Very low | 31 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | | | trans | 78.5 | 128.5 | 133.1 | -57.9 | -6.2 | 0 | 0 | 0 | 121.2 | | |
| 65 | N | 29.2 | Very low | 31 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | 51.1 | 124.6 | 150.2 | -51.2 | -12.2 | 0 | 0 | 0 | 117.8 | | |
| 66 | Y | 32 | Very low | 30.9 | Very low | 218 Ų | 218 | 144.1 Ų | 144.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | | -160.5 | 165.8 | 60.2 | -106.7 | -85.7 | 0 | 0 | 0 | 113.8 | | |
| 67 | N | 25.9 | Very low | 31 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | -68.1 | 155.4 | 166.7 | -177.9 | 10.3 | 0 | 0 | 0 | 112 | | |
| 68 | I | 34.2 | Very low | 30.8 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 163.4 | 120.5 | 135 | -84.2 | 157.4 | 0 | 0 | 0 | 112.9 | | |
| 69 | H | 27.3 | Very low | 30.5 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | | | trans | 25.3 | 138.7 | 148.8 | -84.3 | 68.1 | 0 | 0 | 0 | 123.1 | | |
| 70 | G | 31.3 | Very low | 30.4 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 178.3 | 75.6 | 155 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 71 | K | 32.1 | Very low | 30.4 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | trans | 43.6 | 112.6 | 152.4 | -58.1 | 178.5 | -177.9 | 179.6 | 0 | 118.7 | | |
| 72 | V | 27.9 | Very low | 30.4 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | | 56.8 | 104.4 | 78.7 | -178.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 73 | S | 32.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | | -157.3 | 146 | 129.2 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 74 | N | 27.9 | Very low | 30.3 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -80.3 | 156.1 | 178.2 | -54.8 | -30.2 | 0 | 0 | 0 | 111.2 | | |
| 75 | N | 30.6 | Very low | 30.1 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | | 175.6 | 109.5 | 127.2 | -87.6 | -11.5 | 0 | 0 | 0 | 113.2 | | |
| 76 | T | 29.1 | Very low | 30 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -115.6 | 168.3 | 150.8 | 29.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 77 | P | 34.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | | | cis | -129.1 | -178.2 | 5.8 | 42.5 | -28.1 | 0 | 0 | 0 | 114.1 | | |
| 78 | C | 27.8 | Very low | 30 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | | | trans | -172.7 | 137.5 | 131.9 | -98.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 79 | S | 26.8 | Very low | 29.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -101.2 | 141.1 | -179.2 | -49.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 80 | S | 31.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -177.8 | 154.7 | 144.3 | 31.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 81 | S | 28.9 | Very low | 29.8 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | trans | 64.5 | 76 | 159.9 | -55 | 0 | 0 | 0 | 0 | 119.3 | | |
| 82 | I | 33 | Very low | 29.7 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | -129.3 | 103.9 | 137.4 | -61.8 | -176.8 | 0 | 0 | 0 | 107.8 | | |
| 83 | E | 31.9 | Very low | 29.8 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | | | trans | -115.2 | 83.2 | 168.4 | -77.5 | -167.3 | 150.4 | 0 | 0 | 109.7 | | |
| 84 | H | 30.4 | Very low | 29.6 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 75% | 0.75 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -165.7 | 157.3 | 151.7 | -129.2 | -121.2 | 0 | 0 | 0 | 110.9 | | |
| 85 | L | 27.4 | Very low | 29.6 | Very low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | | | trans | 62.4 | 60.9 | 165.4 | -57.9 | 165.1 | 0 | 0 | 0 | 116.1 | | |
| 86 | T | 28.5 | Very low | 29.6 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | | | trans | -135.3 | 100.9 | 151.4 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 87 | A | 29.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | | | trans | -134.2 | 161.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 88 | L | 27.9 | Very low | 29.7 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 70.6 | 44.9 | -177.1 | -49.2 | -178.4 | 0 | 0 | 0 | 116.6 | | |
| 89 | N | 29.8 | Very low | 29.8 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | trans | -149 | 80.6 | 150 | -164.5 | -3.3 | 0 | 0 | 0 | 111.8 | | |
| 90 | S | 30.6 | Very low | 30.2 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | -162.7 | 69.2 | 179.4 | -76.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 91 | S | 29.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -159.8 | 50.9 | 168.3 | 67.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 92 | F | 28.7 | Very low | 30.3 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 93% | 0.934 | 83% | 0.833 | S | S | * | * | | | trans | -167.3 | 62.2 | 157.3 | -97.4 | -57.3 | 0 | 0 | 0 | 112.6 | | |
| 93 | Q | 31.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -129.3 | 112.9 | 167.7 | -157.3 | 77.1 | 26 | 0 | 0 | 108.8 | | |
| 94 | C | 27.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | trans | -99.8 | 120.4 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 95 | N | 28.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | | | trans | -75.6 | 126.3 | 179.4 | -73.5 | -5.3 | 0 | 0 | 0 | 111.9 | | |
| 96 | I | 30.7 | Very low | 30.9 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | | | trans | -134.9 | 87.5 | 152.1 | -55.1 | -179 | 0 | 0 | 0 | 108.1 | P135 | I96-P135 HydrophobicContact CD1-CG 3.88Š|
| 97 | E | 30.6 | Very low | 31.1 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -111.6 | 122.2 | 160.3 | -75.3 | -165.4 | 114.2 | 0 | 0 | 109 | | |
| 98 | Q | 34.1 | Very low | 31.3 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -136 | 101.2 | 159.4 | -78.5 | -163.4 | 3 | 0 | 0 | 110.8 | | |
| 99 | S | 30 | Very low | 31.7 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | | 42.5 | 97.4 | 128 | -51.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 100 | T | 35.5 | Very low | 32 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | | -142.8 | 124.7 | 124.1 | 45.5 | 0 | 0 | 0 | 0 | 110 | | |
| 101 | S | 29.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -88.4 | 138.9 | 173 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 102 | L | 32.5 | Very low | 32.7 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | | | trans | -145.1 | 133.4 | 145.5 | -104.5 | 144 | 0 | 0 | 0 | 108.1 | | |
| 103 | K | 33.4 | Very low | 32.9 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | -99.9 | 172.4 | 176.6 | -69.6 | 178.9 | 177.4 | 177.5 | 0 | 109.2 | | |
| 104 | D | 35.3 | Very low | 33.1 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | 105.3 | 138.1 | 157.3 | -64.4 | -40.3 | 0 | 0 | 0 | 118.4 | | |
| 105 | T | 33.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | | | cis | -165.2 | 129.8 | -27.2 | -112.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 106 | T | 34.3 | Very low | 34 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | | | trans | 53.4 | 146.4 | 161.1 | 59.9 | 0 | 0 | 0 | 0 | 123 | | |
| 107 | N | 31.4 | Very low | 34.4 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 65.5 | 126.3 | 152.2 | -61.8 | -8.3 | 0 | 0 | 0 | 118.7 | | |
| 108 | A | 34.2 | Very low | 34.9 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | cis | 104.4 | 153.3 | 21.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 109 | N | 36.6 | Very low | 34.9 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | 89.8 | 117.8 | 168 | -62.7 | -3.6 | 0 | 0 | 0 | 118.7 | | |
| 110 | N | 36.5 | Very low | 35.3 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | | | trans | 91.4 | 99.2 | 139.7 | -62.9 | 24.8 | 0 | 0 | 0 | 121.1 | | |
| 111 | D | 36.8 | Very low | 35 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | | 72.6 | 142.9 | 111.1 | -50.3 | -26.1 | 0 | 0 | 0 | 123 | | |
| 112 | N | 37.2 | Very low | 35.3 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | trans | 79 | 102.2 | 153.2 | -62.1 | -23.2 | 0 | 0 | 0 | 120.2 | | |
| 113 | C | 31.9 | Very low | 35.1 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | | | | 64.4 | 112 | 111.6 | -73.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 114 | D | 34.9 | Very low | 35 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | | 86 | 145.9 | 122.2 | -59.7 | -40.8 | 0 | 0 | 0 | 121.8 | | |
| 115 | E | 36.9 | Very low | 35 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | | | trans | 75.1 | 152.3 | 163.8 | -74 | -176.2 | 162.2 | 0 | 0 | 122.3 | | |
| 116 | D | 39.1 | Very low | 35 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | 67 | 105.2 | 166.6 | -65.4 | -8.8 | 0 | 0 | 0 | 122.4 | | |
| 117 | D | 39.1 | Very low | 34.9 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -17.7 | 129.2 | 140.4 | -74.3 | -51.7 | 0 | 0 | 0 | 115.3 | | |
| 118 | N | 40.7 | Very low | 34.9 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | | -163 | 103.1 | 127.7 | -109.8 | -72.8 | 0 | 0 | 0 | 113.7 | N120 | N118-N120 PolarHBondContact O-N 2.92Š|
| 119 | N | 34.6 | Very low | 34.6 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -5.2 | 104.4 | 146.2 | -174.8 | 13.2 | 0 | 0 | 0 | 116 | | |
| 120 | N | 38.2 | Very low | 34.2 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -139.6 | 120.4 | 167.5 | -106 | -59.2 | 0 | 0 | 0 | 112.2 | N118 V122 | N118-N120 PolarHBondContact O-N 2.92Å; N120-V122 PolarHBondContact O-N 3.36Å |
| 121 | N | 29.4 | Very low | 34 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -88 | 93.7 | -172.2 | -173.7 | 5.5 | 0 | 0 | 0 | 110.9 | | |
| 122 | V | 34.8 | Very low | 33.6 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | trans | -100.5 | 105.1 | -176.1 | -176 | 0 | 0 | 0 | 0 | 111.5 | N120 I124 | N120-V122 PolarHBondContact O-N 3.36Å; V122-I124 HydrophobicContact CG1-CG1 4.11Å; V122-I124 PolarHBondContact O-N 3.08Å |
| 123 | N | 27.9 | Very low | 33.4 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 115 | 167.6 | -113.9 | -55.5 | 0 | 0 | 0 | 110.4 | | |
| 124 | I | 32.7 | Very low | 33.5 | Very low | 150 Ų | 150 | 147 Ų | 147 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -108.1 | 110.4 | 169.7 | -60.4 | -175.9 | 0 | 0 | 0 | 109 | V122 | V122-I124 HydrophobicContact CG1-CG1 4.11Å; V122-I124 PolarHBondContact O-N 3.08Å |
| 125 | S | 34.1 | Very low | 33.6 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -66.1 | 146.4 | -179.8 | -173 | 0 | 0 | 0 | 0 | 112.2 | N127 | S125-N127 PolarHBondContact O-N 3.47Š|
| 126 | K | 33.9 | Very low | 33.4 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | | | trans | -65.7 | 101.3 | 174.9 | -67.7 | 179.8 | 179.4 | 179.2 | 0 | 110.2 | | |
| 127 | N | 31.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -86.1 | 115.2 | 175.3 | -137.6 | 29.3 | 0 | 0 | 0 | 110.2 | S125 L129 | S125-N127 PolarHBondContact O-N 3.47Å; N127-L129 PolarHBondContact O-N 3.25Å |
| 128 | S | 31.4 | Very low | 32.8 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | -74.3 | 109.7 | -178.2 | 159.5 | 0 | 0 | 0 | 0 | 111.4 | F130 | S128-F130 WeakPolarHBondContact OG-CD2 3.49Š|
| 129 | L | 28.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -100.2 | 99.8 | 172.6 | -169.7 | 66.6 | 0 | 0 | 0 | 111.2 | N127 I131 | N127-L129 PolarHBondContact O-N 3.25Å; L129-I131 HydrophobicContact CD2-CD1 4.04Å; L129-I131 HydrophobicContact CD2-CG1 4.28Å; L129-I131 HydrophobicContact CG-CD1 4.41Å; L129-I131 HydrophobicContact CG-CG1 4.1Å |
| 130 | F | 27.6 | Very low | 32.3 | Very low | 173 Ų | 173 | 142 Ų | 142 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -76.7 | 121.8 | 166 | -83.7 | -98.5 | 0 | 0 | 0 | 109.6 | S128 | S128-F130 WeakPolarHBondContact OG-CD2 3.49Š|
| 131 | I | 32.1 | Very low | 32 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -115.5 | 111.7 | 164.5 | -58.5 | -176.4 | 0 | 0 | 0 | 107.8 | L129 | L129-I131 HydrophobicContact CD2-CD1 4.04Å; L129-I131 HydrophobicContact CD2-CG1 4.28Å; L129-I131 HydrophobicContact CG-CD1 4.41Å; L129-I131 HydrophobicContact CG-CG1 4.1Å |
| 132 | T | 28.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -115.3 | 87.9 | -178.5 | 39.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 133 | N | 32.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -169.5 | 120.5 | 152.6 | -113.7 | -82.2 | 0 | 0 | 0 | 110.1 | | |
| 134 | I | 34.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 140 Ų | 140 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -134.7 | 120.8 | 165.9 | -59.9 | 179.9 | 0 | 0 | 0 | 106.4 | | |
| 135 | P | 37.5 | Very low | 32 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | | | trans | -73.7 | 146.9 | -175.1 | 28.8 | -34.1 | 0 | 0 | 0 | 112.6 | I96 A137 | I96-P135 HydrophobicContact CD1-CG 3.88Å; P135-A137 PolarHBondContact O-N 3.5Å; P135-A137 VanDerWaalsContact O-N 3.09Å |
| 136 | K | 32 | Very low | 31.9 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -76.9 | 91.8 | 178.8 | -66.3 | -179.9 | 179 | 179.8 | 0 | 111.2 | | |
| 137 | A | 33.3 | Very low | 31.9 | Very low | 90 Ų | 90 | 146.5 Ų | 146.5 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -146.2 | 24.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | P135 | P135-A137 PolarHBondContact O-N 3.5Å; P135-A137 VanDerWaalsContact O-N 3.09Å |
| 138 | L | 33.2 | Very low | 31.8 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -148.9 | 99.7 | 176.2 | -98.8 | 165.1 | 0 | 0 | 0 | 108.9 | | |
| 139 | T | 34 | Very low | 31.9 | Very low | 106 Ų | 106 | 149 Ų | 149 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -145.3 | -25.9 | 177 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | C141 | T139-C141 VanDerWaalsContact C-N 3.33Å; T139-C141 PolarHBondContact O-N 3.27Å; T139-C141 VanDerWaalsContact O-N 3.16Å |
| 140 | D | 31 | Very low | 32 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 53.5 | 176.4 | -60.5 | -65.4 | 0 | 0 | 0 | 113.8 | | |
| 141 | C | 30.6 | Very low | 32.4 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 72% | 0.716 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.3 | 7.1 | 168.9 | -140.8 | 0 | 0 | 0 | 0 | 114.4 | T139 H143 | T139-C141 VanDerWaalsContact C-N 3.33Å; T139-C141 PolarHBondContact O-N 3.27Å; T139-C141 VanDerWaalsContact O-N 3.16Å; C141-H143 PolarHBondContact O-N 2.95Å |
| 142 | C | 28.2 | Very low | 32.6 | Very low | 109 Ų | 109 | 150 Ų | 150 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 76.7 | -173.8 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 143 | H | 34.2 | Very low | 32.9 | Very low | 199 Ų | 199 | 151.9 Ų | 151.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.7 | 6.9 | 167.3 | -102.6 | 77.2 | 0 | 0 | 0 | 115.1 | C141 | C141-H143 PolarHBondContact O-N 2.95Š|
| 144 | S | 34.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -136.4 | 25.5 | -171.6 | -166.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 145 | Y | 29 | Very low | 32.9 | Very low | 209 Ų | 209 | 152.1 Ų | 152.1 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | | | trans | -137.2 | 64.4 | 179.6 | -88.1 | -80.6 | 0 | 0 | 0 | 113.5 | L148 | Y145-L148 HydrophobicContact CE1-CD1 4.45Š|
| 146 | E | 31.2 | Very low | 32.6 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | -111 | 81.8 | 154 | -87 | -152.1 | 121 | 0 | 0 | 109.5 | | |
| 147 | F | 32.9 | Very low | 32.6 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -155.2 | 7.9 | 169.4 | -143.1 | -102 | 0 | 0 | 0 | 116 | | |
| 148 | L | 31.5 | Very low | 32.4 | Very low | 143 Ų | 143 | 153 Ų | 153 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -128.1 | 40.4 | -171.1 | -71.3 | 174.8 | 0 | 0 | 0 | 114.2 | Y145 | Y145-L148 HydrophobicContact CE1-CD1 4.45Š|
| 149 | L | 32.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -134.9 | 2.9 | 174.4 | -75.3 | 177.1 | 0 | 0 | 0 | 115.6 | | |
| 150 | N | 30.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 157.6 Ų | 157.6 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | | | trans | -113.1 | 52.9 | -177 | -74.9 | -14 | 0 | 0 | 0 | 112.9 | | |
| 151 | S | 36.8 | Very low | 32.5 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -150.4 | 47.9 | 178.4 | -67.3 | 0 | 0 | 0 | 0 | 114.4 | H153 | S151-H153 PolarHBondContact O-N 3.44Š|
| 152 | E | 36 | Very low | 32.6 | Very low | 201 Ų | 201 | 157.3 Ų | 157.3 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | -79.4 | 92 | 162.5 | -74.8 | -162.6 | 114.3 | 0 | 0 | 111 | | |
| 153 | H | 34.7 | Very low | 32.7 | Very low | 154 Ų | 154 | 157 Ų | 157 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | | | trans | -148.1 | 59.1 | 159.4 | -160.3 | -145.5 | 0 | 0 | 0 | 113.5 | S151 K155 | S151-H153 PolarHBondContact O-N 3.44Å; H153-K155 VanDerWaalsContact C-N 3.29Å; H153-K155 PolarHBondContact O-N 2.97Å |
| 154 | L | 31.9 | Very low | 32.7 | Very low | 172 Ų | 172 | 154 Ų | 154 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | | | trans | -71.9 | 82.7 | 165.8 | -91.6 | 160.5 | 0 | 0 | 0 | 110.5 | L156 | L154-L156 PolarHBondContact O-N 2.8Š|
| 155 | K | 33.6 | Very low | 32.3 | Very low | 143 Ų | 143 | 158.7 Ų | 158.7 | 62% | 0.622 | 83% | 0.825 | S | S | * | * | | | trans | -86.7 | 83.7 | 175.3 | -168.8 | 76.3 | 174.7 | -168.3 | 0 | 110.7 | H153 E157 | H153-K155 VanDerWaalsContact C-N 3.29Å; H153-K155 PolarHBondContact O-N 2.97Å; K155-E157 HydrophobicContact CG-CG 4.48Å; K155-E157 PolarHBondContact O-N 2.9Å |
| 156 | L | 31.2 | Very low | 32.4 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -71.4 | 111.6 | 165.2 | -77.1 | 163.6 | 0 | 0 | 0 | 109.4 | L154 | L154-L156 PolarHBondContact O-N 2.8Š|
| 157 | E | 32.3 | Very low | 32.4 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -109.9 | 150.1 | 160.4 | -75.1 | -160.4 | 138.4 | 0 | 0 | 110 | K155 | K155-E157 HydrophobicContact CG-CG 4.48Å; K155-E157 PolarHBondContact O-N 2.9Å |
| 158 | G | 30.2 | Very low | 32.1 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | 96 | 70.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 159 | I | 34.9 | Very low | 31.9 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | | -161.3 | 129.1 | 123.5 | -95.4 | 148.4 | 0 | 0 | 0 | 107.3 | | |
| 160 | E | 32.9 | Very low | 31.7 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -87.4 | 123.8 | 174.7 | -57 | 176 | 135 | 0 | 0 | 108.6 | | |
| 161 | D | 32.2 | Very low | 31.7 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | | | trans | -161.7 | 159.7 | 136.5 | -129.8 | -36.3 | 0 | 0 | 0 | 114 | | |
| 162 | S | 31.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -80.5 | 122.9 | -171.6 | 148.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 163 | S | 30.7 | Very low | 30.7 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | | 174.4 | 171.9 | 124 | 50 | 0 | 0 | 0 | 0 | 114.7 | | |
| 164 | V | 34 | Very low | 30.5 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 69.5 | 85.6 | 167.1 | -163.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 165 | Q | 26.8 | Very low | 30.2 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | | | trans | -73.9 | 124.7 | 152.8 | -63 | 167.1 | -81.3 | 0 | 0 | 110.4 | | |
| 166 | S | 31.5 | Very low | 30.2 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | | | trans | -170.9 | 163.4 | 136.8 | -155.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 167 | N | 31.9 | Very low | 30 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | | | trans | 73.7 | 58.7 | 158.3 | -52.7 | -12.4 | 0 | 0 | 0 | 118.3 | S169 | N167-S169 PolarHBondContact O-N 3.14Š|
| 168 | A | 25.6 | Very low | 30 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | | | trans | -84.8 | 89.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 169 | S | 27.7 | Very low | 30 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | trans | -164.4 | 141.2 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | N167 | N167-S169 PolarHBondContact O-N 3.14Š|
| 170 | M | 28.4 | Very low | 29.8 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | | | trans | 82 | 73.9 | 178.9 | -51 | -167.1 | -149.5 | 0 | 0 | 119.4 | | |
| 171 | I | 30 | Very low | 29.7 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -139.3 | 75.9 | 139.8 | -51.6 | -178.9 | 0 | 0 | 0 | 109.4 | | |
| 172 | L | 25.8 | Very low | 29.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -163.9 | 63.4 | 167.9 | -148.4 | 77.7 | 0 | 0 | 0 | 114.8 | | |
| 173 | S | 26.8 | Very low | 29.9 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -172.6 | 85.9 | 161.8 | -87.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 174 | C | 30.6 | Very low | 30 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -136.1 | 36.1 | 172.7 | -72.5 | 0 | 0 | 0 | 0 | 113.6 | T176 | C174-T176 PolarHBondContact O-N 3.39Š|
| 175 | K | 25.9 | Very low | 29.9 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -91.3 | 67.4 | 176.6 | -165.2 | 164.3 | -175.2 | 168.2 | 0 | 111.7 | | |
| 176 | T | 32.6 | Very low | 30.1 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -83.2 | 115.9 | -178.4 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | C174 | C174-T176 PolarHBondContact O-N 3.39Š|
| 177 | T | 28 | Very low | 30.1 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | -68.4 | 131.2 | 170.5 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | T179 | T177-T179 HydrophobicContact CG2-CG2 4.21Š|
| 178 | I | 32.9 | Very low | 30 | Very low | 153 Ų | 153 | 134 Ų | 134 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -114 | 109 | 167.4 | -60.7 | -178.8 | 0 | 0 | 0 | 108.5 | | |
| 179 | T | 29 | Very low | 30.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | | | trans | -83.8 | 126.1 | 173.7 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | T177 | T177-T179 HydrophobicContact CG2-CG2 4.21Š|
| 180 | P | 31.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | -83.6 | 134.4 | 168.8 | 32.8 | -31.6 | 0 | 0 | 0 | 110.7 | | |
| 181 | S | 30.1 | Very low | 30.5 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -151 | 124.7 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 182 | S | 34 | Very low | 30.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | 65.1 | 143.9 | 166.9 | 74.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 183 | T | 33.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -159.3 | 177.4 | -7.2 | 4.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 184 | S | 32.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 60.9 | 107.3 | -178.5 | 48.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 185 | S | 32.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | | 78.3 | 87.5 | 57.1 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 186 | D | 31.1 | Very low | 30.9 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | | -147.4 | 176.5 | 118.9 | -112 | -39.7 | 0 | 0 | 0 | 110.3 | | |
| 187 | T | 31.7 | Very low | 31 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | trans | -120.4 | 168.1 | -147.5 | -43.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 188 | I | 29.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 91.6 | 129.4 | 162.8 | -49.7 | 151.9 | 0 | 0 | 0 | 115.5 | | |
| 189 | P | 33.3 | Very low | 31.1 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | cis | -132.9 | 146.8 | -45.1 | 37.5 | -19.1 | 0 | 0 | 0 | 113.3 | Y191 | P189-Y191 PolarHBondContact O-N 3.18Š|
| 190 | T | 28.6 | Very low | 31.8 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -79.3 | 124.2 | 179.4 | -47.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 191 | Y | 29.1 | Very low | 32.1 | Very low | 219 Ų | 219 | 139 Ų | 139 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | trans | -93 | 103.1 | 162.3 | -91.1 | -84.9 | 0 | 0 | 0 | 110.5 | P189 | P189-Y191 PolarHBondContact O-N 3.18Š|
| 192 | T | 29.2 | Very low | 32.8 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | | | trans | -92.8 | 116.1 | 179.5 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | S194 | T192-S194 WeakPolarHBondContact CG2-OG 3.35Š|
| 193 | T | 30.8 | Very low | 33.5 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -108.8 | 70.4 | 171 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | R195 | T193-R195 PolarHBondContact O-N 3.04Š|
| 194 | S | 27.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | -68.4 | 117.9 | 175 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | T192 | T192-S194 WeakPolarHBondContact CG2-OG 3.35Š|
| 195 | R | 32.4 | Very low | 35.2 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | | | trans | -135.6 | 147.5 | 154.2 | -75.4 | -162.2 | 172.1 | -167.9 | -2 | 110.8 | T193 | T193-R195 PolarHBondContact O-N 3.04Š|
| 196 | L | 28.5 | Very low | 36.1 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | trans | -66.1 | 138.9 | -166.1 | -71.9 | 57.9 | 0 | 0 | 0 | 112.2 | | |
| 197 | I | 35.5 | Very low | 37.6 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | | | trans | -124 | 126.4 | 135.5 | -61.9 | -178.7 | 0 | 0 | 0 | 105.3 | | |
| 198 | D | 32.5 | Very low | 39.2 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | | | trans | -76.1 | 151.1 | -171.8 | -109.3 | -56.6 | 0 | 0 | 0 | 113 | T200 | D198-T200 VanDerWaalsContact C-N 3.32Å; D198-T200 PolarHBondContact O-N 3.02Å; D198-T200 VanDerWaalsContact O-N 3.17Å |
| 199 | R | 30.5 | Very low | 40.9 | Very low | 247 Ų | 247 | 135.8 Ų | 135.8 | 93% | 0.932 | 69% | 0.694 | S | S | * | * | | | trans | -86.5 | 69.4 | 172.1 | -75.2 | -175.4 | 173.2 | 178.4 | -1.9 | 110.8 | | |
| 200 | T | 42.1 | Very low | 42.6 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.693 | 69% | 0.694 | S | S | * | * | | | trans | -76.4 | 144.7 | 164.8 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | D198 | D198-T200 VanDerWaalsContact C-N 3.32Å; D198-T200 PolarHBondContact O-N 3.02Å; D198-T200 VanDerWaalsContact O-N 3.17Å |
| 201 | N | 39.1 | Very low | 44.7 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | | | trans | -52.2 | 136.4 | -165.7 | -75.4 | -77.7 | 0 | 0 | 0 | 114.8 | N203 D204 | N201-N203 HydrophobicContact CB-CB 4.31Å; N201-N203 PolarHBondContact O-N 3.48Å; N201-D204 WeakPolarHBondContact CB-OD2 3.45Å |
| 202 | L | 44.5 | Very low | 46.7 | Very low | 147 Ų | 147 | 133 Ų | 133 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -15.1 | 165.4 | -82.1 | 75.9 | 0 | 0 | 0 | 112.8 | D204 | L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.37Å |
| 203 | N | 49.1 | Very low | 48.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74 | -20.2 | -179.4 | -58.8 | -26.6 | 0 | 0 | 0 | 113.7 | N201 | N201-N203 HydrophobicContact CB-CB 4.31Å; N201-N203 PolarHBondContact O-N 3.48Å |
| 204 | D | 46.8 | Very low | 51.1 | Low | 92 Ų | 92 | 133.3 Ų | 133.3 | 49% | 0.492 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -79 | -28 | -176.4 | -64.4 | -43.6 | 0 | 0 | 0 | 111.7 | N201 L202 F207 I208 | N201-D204 WeakPolarHBondContact CB-OD2 3.45Å; L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.37Å; D204-F207 PolarHBondContact O-N 3.41Å; D204-I208 WeakPolarHBondContact O-CG1 3.37Å; D204-I208 PolarHBondContact O-N 3.44Å; D204-I208 VanDerWaalsContact O-N 3.16Å |
| 205 | T | 54.1 | Low | 53.4 | Low | 86 Ų | 86 | 133.5 Ų | 133.5 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.8 | -49.8 | 179.8 | -40.3 | 0 | 0 | 0 | 0 | 111.9 | F207 I208 E209 | T205-F207 PolarHBondContact O-N 2.95Å; T205-I208 PolarHBondContact O-N 3.48Å; T205-I208 VanDerWaalsContact O-N 3.1Å; T205-E209 PolarHBondContact O-N 3.15Å |
| 206 | D | 51.5 | Low | 55.5 | Low | 100 Ų | 100 | 125.9 Ų | 125.9 | 54% | 0.535 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.3 | -36.1 | 179.4 | -67.6 | 0.2 | 0 | 0 | 0 | 111.7 | Q210 | D206-Q210 WeakPolarHBondContact O-CB 3.11Å; D206-Q210 WeakPolarHBondContact O-CG 3.43Å; D206-Q210 PolarHBondContact O-N 3.43Å |
| 207 | F | 63 | Low | 57.8 | Low | 133 Ų | 133 | 122.9 Ų | 122.9 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.8 | -35.1 | 178.6 | -160.3 | -91.5 | 0 | 0 | 0 | 112.1 | D204 T205 Q211 | D204-F207 PolarHBondContact O-N 3.41Å; T205-F207 PolarHBondContact O-N 2.95Å; F207-Q211 HydrophobicContact CD1-CG 4.17Å; F207-Q211 HydrophobicContact CE1-CG 3.98Å; F207-Q211 WeakPolarHBondContact O-CB 3.45Å; F207-Q211 WeakPolarHBondContact O-CG 3.49Å; F207-Q211 PolarHBondContact O-N 3.29Å |
| 208 | I | 65 | Low | 59.8 | Low | 115 Ų | 115 | 119.5 Ų | 119.5 | 59% | 0.59 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.1 | -42.9 | 174.2 | -68.6 | 168.5 | 0 | 0 | 0 | 110.7 | D204 T205 Q211 Y212 | D204-I208 WeakPolarHBondContact O-CG1 3.37Å; D204-I208 PolarHBondContact O-N 3.44Å; D204-I208 VanDerWaalsContact O-N 3.16Å; T205-I208 PolarHBondContact O-N 3.48Å; T205-I208 VanDerWaalsContact O-N 3.1Å; I208-Q211 PolarHBondContact O-N 2.94Å; I208-Y212 WeakPolarHBondContact O-CB 3.47Å; I208-Y212 PolarHBondContact O-N 3.24Å |
| 209 | E | 65.1 | Low | 61.7 | Low | 132 Ų | 132 | 117.8 Ų | 117.8 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -45.5 | 174 | -79.4 | -156.7 | 123.1 | 0 | 0 | 112.1 | T205 Q211 Y212 H213 | T205-E209 PolarHBondContact O-N 3.15Å; E209-Q211 VanDerWaalsContact C-N 3.33Å; E209-Q211 PolarHBondContact O-N 3.05Å; E209-Y212 PolarHBondContact O-N 3.39Å; E209-Y212 VanDerWaalsContact O-N 3.14Å; E209-H213 PolarHBondContact O-N 3.32Å |
| 210 | Q | 70 | Confident | 63.8 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.8 | -39 | 177.3 | -74.9 | -178.2 | 21.9 | 0 | 0 | 112.7 | D206 H214 | D206-Q210 WeakPolarHBondContact O-CB 3.11Å; D206-Q210 WeakPolarHBondContact O-CG 3.43Å; D206-Q210 PolarHBondContact O-N 3.43Å; Q210-H214 WeakPolarHBondContact O-CB 3.45Å; Q210-H214 PolarHBondContact O-N 3.47Å |
| 211 | Q | 71.4 | Confident | 65.3 | Low | 109 Ų | 109 | 113.6 Ų | 113.6 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -40.9 | 172.8 | -76.2 | -63.3 | -56.9 | 0 | 0 | 112.2 | F207 I208 E209 H214 L215 | F207-Q211 HydrophobicContact CD1-CG 4.17Å; F207-Q211 HydrophobicContact CE1-CG 3.98Å; F207-Q211 WeakPolarHBondContact O-CB 3.45Å; F207-Q211 WeakPolarHBondContact O-CG 3.49Å; F207-Q211 PolarHBondContact O-N 3.29Å; I208-Q211 PolarHBondContact O-N 2.94Å; E209-Q211 VanDerWaalsContact C-N 3.33Å; E209-Q211 PolarHBondContact O-N 3.05Å; Q211-H214 PolarHBondContact O-N 2.87Å; Q211-L215 WeakPolarHBondContact O-CB 3.5Å; Q211-L215 PolarHBondContact O-N 3.44Å |
| 212 | Y | 71.5 | Confident | 66.7 | Low | 143 Ų | 143 | 113.9 Ų | 113.9 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -42.2 | 179.5 | -152.7 | -93.6 | 0 | 0 | 0 | 111.9 | I208 E209 L215 M216 | I208-Y212 WeakPolarHBondContact O-CB 3.47Å; I208-Y212 PolarHBondContact O-N 3.24Å; E209-Y212 PolarHBondContact O-N 3.39Å; E209-Y212 VanDerWaalsContact O-N 3.14Å; Y212-L215 PolarHBondContact O-N 3.49Å; Y212-M216 HydrophobicContact CD1-CE 4.42Å; Y212-M216 HydrophobicContact CD1-CG 4.31Å; Y212-M216 HydrophobicContact CE1-CE 3.56Å; Y212-M216 HydrophobicContact CE1-CG 4.3Å; Y212-M216 WeakPolarHBondContact O-CG 3.27Å; Y212-M216 PolarHBondContact O-N 3.15Å |
| 213 | H | 74 | Confident | 67.7 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 62% | 0.616 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.3 | -47.7 | 174.9 | -123 | -70.9 | 0 | 0 | 0 | 111.6 | E209 L215 M216 D217 | E209-H213 PolarHBondContact O-N 3.32Å; H213-L215 VanDerWaalsContact C-N 3.3Å; H213-L215 PolarHBondContact O-N 3.47Å; H213-M216 PolarHBondContact O-N 3.21Å; H213-D217 PolarHBondContact O-N 3.14Å |
| 214 | H | 78 | Confident | 68.4 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 179 | -171 | 67.9 | 0 | 0 | 0 | 112.8 | Q210 Q211 Q218 | Q210-H214 WeakPolarHBondContact O-CB 3.45Å; Q210-H214 PolarHBondContact O-N 3.47Å; Q211-H214 PolarHBondContact O-N 2.87Å; H214-Q218 WeakPolarHBondContact O-CB 3.33Å; H214-Q218 PolarHBondContact O-N 2.95Å |
| 215 | L | 77.2 | Confident | 69 | Low | 107 Ų | 107 | 110.9 Ų | 110.9 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.5 | -37.5 | 176 | -168.3 | 67.8 | 0 | 0 | 0 | 111.9 | Q211 Y212 H213 Q218 Q219 | Q211-L215 WeakPolarHBondContact O-CB 3.5Å; Q211-L215 PolarHBondContact O-N 3.44Å; Y212-L215 PolarHBondContact O-N 3.49Å; H213-L215 VanDerWaalsContact C-N 3.3Å; H213-L215 PolarHBondContact O-N 3.47Å; L215-Q218 PolarHBondContact O-N 3.12Å; L215-Q219 PolarHBondContact O-N 3.19Å |
| 216 | M | 76.6 | Confident | 69.1 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 40% | 0.404 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 175.3 | -74.3 | -64.1 | 175.2 | 0 | 0 | 112.3 | Y212 H213 Q218 Q219 Q220 | Y212-M216 HydrophobicContact CD1-CE 4.42Å; Y212-M216 HydrophobicContact CD1-CG 4.31Å; Y212-M216 HydrophobicContact CE1-CE 3.56Å; Y212-M216 HydrophobicContact CE1-CG 4.3Å; Y212-M216 WeakPolarHBondContact O-CG 3.27Å; Y212-M216 PolarHBondContact O-N 3.15Å; H213-M216 PolarHBondContact O-N 3.21Å; M216-Q218 VanDerWaalsContact C-N 3.3Å; M216-Q218 PolarHBondContact O-N 3.28Å; M216-Q219 PolarHBondContact O-N 3.33Å; M216-Q219 VanDerWaalsContact O-N 3.14Å; M216-Q220 WeakPolarHBondContact O-CB 3.39Å; M216-Q220 PolarHBondContact O-N 2.74Å |
| 217 | D | 75.8 | Confident | 69.2 | Low | 81 Ų | 81 | 113 Ų | 113 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.6 | -78.1 | -41.4 | 0 | 0 | 0 | 111.6 | H213 Q219 Q220 Q221 | H213-D217 PolarHBondContact O-N 3.14Å; D217-Q219 VanDerWaalsContact C-N 3.32Å; D217-Q219 PolarHBondContact O-N 3.03Å; D217-Q220 PolarHBondContact O-N 3.38Å; D217-Q221 WeakPolarHBondContact O-CG 3.43Å; D217-Q221 PolarHBondContact O-N 3.36Å |
| 218 | Q | 78.3 | Confident | 68.9 | Low | 100 Ų | 100 | 110.9 Ų | 110.9 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 177.4 | -164.7 | -175.6 | 115.9 | 0 | 0 | 112.7 | H214 L215 M216 Q222 | H214-Q218 WeakPolarHBondContact O-CB 3.33Å; H214-Q218 PolarHBondContact O-N 2.95Å; L215-Q218 PolarHBondContact O-N 3.12Å; M216-Q218 VanDerWaalsContact C-N 3.3Å; M216-Q218 PolarHBondContact O-N 3.28Å; Q218-Q222 WeakPolarHBondContact O-CG 3.5Å; Q218-Q222 PolarHBondContact O-N 2.83Å; Q218-Q222 PolarHBondContact O-NE2 3.48Å |
| 219 | Q | 72.4 | Confident | 68.3 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.4 | -42.7 | 173 | -157.5 | -162.6 | 105 | 0 | 0 | 111.1 | L215 M216 D217 Q221 Q222 Q223 | L215-Q219 PolarHBondContact O-N 3.19Å; M216-Q219 PolarHBondContact O-N 3.33Å; M216-Q219 VanDerWaalsContact O-N 3.14Å; D217-Q219 VanDerWaalsContact C-N 3.32Å; D217-Q219 PolarHBondContact O-N 3.03Å; Q219-Q221 PolarHBondContact O-N 3.33Å; Q219-Q222 WeakPolarHBondContact O-CB 3.44Å; Q219-Q222 PolarHBondContact O-N 3.13Å; Q219-Q222 VanDerWaalsContact O-N 3.13Å; Q219-Q223 PolarHBondContact O-N 3.09Å; Q219-Q223 VanDerWaalsContact OE1-NE2 3.14Å |
| 220 | Q | 74.2 | Confident | 67.7 | Low | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -37.2 | -178.1 | -156.5 | 167.5 | 102.7 | 0 | 0 | 112.1 | M216 D217 Q222 Q223 H224 | M216-Q220 WeakPolarHBondContact O-CB 3.39Å; M216-Q220 PolarHBondContact O-N 2.74Å; D217-Q220 PolarHBondContact O-N 3.38Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 3.47Å; Q220-Q223 PolarHBondContact O-N 3.01Å; Q220-H224 PolarHBondContact O-N 3.28Å |
| 221 | Q | 73 | Confident | 66.8 | Low | 142 Ų | 142 | 105.6 Ų | 105.6 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -32.4 | 171.1 | -73 | -172.2 | 7.8 | 0 | 0 | 113.5 | D217 Q219 S225 | D217-Q221 WeakPolarHBondContact O-CG 3.43Å; D217-Q221 PolarHBondContact O-N 3.36Å; Q219-Q221 PolarHBondContact O-N 3.33Å; Q221-S225 WeakPolarHBondContact O-CB 3.49Å; Q221-S225 PolarHBondContact O-N 3.27Å; Q221-S225 PolarHBondContact O-OG 3.48Å |
| 222 | Q | 69.9 | Low | 65.8 | Low | 108 Ų | 108 | 106.1 Ų | 106.1 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 173.5 | -76.4 | 173.7 | 87.6 | 0 | 0 | 111.7 | Q218 Q219 Q220 S225 M226 | Q218-Q222 WeakPolarHBondContact O-CG 3.5Å; Q218-Q222 PolarHBondContact O-N 2.83Å; Q218-Q222 PolarHBondContact O-NE2 3.48Å; Q219-Q222 WeakPolarHBondContact O-CB 3.44Å; Q219-Q222 PolarHBondContact O-N 3.13Å; Q219-Q222 VanDerWaalsContact O-N 3.13Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 3.47Å; Q222-S225 PolarHBondContact O-N 3Å; Q222-M226 WeakPolarHBondContact O-CE 3.46Å; Q222-M226 WeakPolarHBondContact O-CG 3.46Å; Q222-M226 PolarHBondContact O-N 3.09Å; Q222-M226 VanDerWaalsContact O-N 3.09Å |
| 223 | Q | 63.9 | Low | 64.7 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 173.6 | -64.5 | -169.5 | 27.1 | 0 | 0 | 111.4 | Q219 Q220 S225 M226 E227 | Q219-Q223 PolarHBondContact O-N 3.09Å; Q219-Q223 VanDerWaalsContact OE1-NE2 3.14Å; Q220-Q223 PolarHBondContact O-N 3.01Å; Q223-S225 VanDerWaalsContact C-N 3.27Å; Q223-S225 PolarHBondContact O-N 2.74Å; Q223-M226 PolarHBondContact O-N 3.32Å; Q223-E227 PolarHBondContact O-N 3.38Å |
| 224 | H | 65.9 | Low | 63.5 | Low | 121 Ų | 121 | 103.2 Ų | 103.2 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -32 | 176.2 | -102.9 | -24.5 | 0 | 0 | 0 | 113.6 | Q220 E227 T228 | Q220-H224 PolarHBondContact O-N 3.28Å; H224-E227 IonicContact ND1-OE2 2.69Å; H224-T228 WeakPolarHBondContact O-CB 3.41Å; H224-T228 VanDerWaalsContact O-CG2 3.31Å; H224-T228 WeakPolarHBondContact O-CG2 3.41Å; H224-T228 PolarHBondContact O-N 3.02Å; H224-T228 PolarHBondContact O-OG1 3.38Å |
| 225 | S | 57.8 | Low | 62 | Low | 73 Ų | 73 | 107.7 Ų | 107.7 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.8 | -32 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | Q221 Q222 Q223 T228 S229 | Q221-S225 WeakPolarHBondContact O-CB 3.49Å; Q221-S225 PolarHBondContact O-N 3.27Å; Q221-S225 PolarHBondContact O-OG 3.48Å; Q222-S225 PolarHBondContact O-N 3Å; Q223-S225 VanDerWaalsContact C-N 3.27Å; Q223-S225 PolarHBondContact O-N 2.74Å; S225-T228 PolarHBondContact O-OG1 3.04Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 3.17Å |
| 226 | M | 56 | Low | 60.6 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 56% | 0.562 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78.6 | -32.2 | 176.5 | -71.5 | -173.4 | -76.3 | 0 | 0 | 113.3 | Q222 Q223 S229 N230 | Q222-M226 WeakPolarHBondContact O-CE 3.46Å; Q222-M226 WeakPolarHBondContact O-CG 3.46Å; Q222-M226 PolarHBondContact O-N 3.09Å; Q222-M226 VanDerWaalsContact O-N 3.09Å; Q223-M226 PolarHBondContact O-N 3.32Å; M226-S229 PolarHBondContact O-OG 2.84Å; M226-S229 VanDerWaalsContact O-OG 3.14Å; M226-N230 PolarHBondContact O-N 3.27Å; M226-N230 PolarHBondContact O-ND2 3.49Å |
| 227 | E | 53.8 | Low | 59.2 | Low | 117 Ų | 117 | 107.3 Ų | 107.3 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.2 | -46.4 | 172.4 | -79.2 | -168.4 | 102.9 | 0 | 0 | 112.8 | Q223 H224 S229 N230 L231 | Q223-E227 PolarHBondContact O-N 3.38Å; H224-E227 IonicContact ND1-OE2 2.69Å; E227-S229 VanDerWaalsContact C-N 3.28Å; E227-S229 PolarHBondContact O-N 2.97Å; E227-N230 PolarHBondContact O-N 3.37Å; E227-L231 WeakPolarHBondContact O-CB 3.42Å; E227-L231 WeakPolarHBondContact O-CG 3.31Å; E227-L231 PolarHBondContact O-N 2.8Å |
| 228 | T | 57.3 | Low | 57.8 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 54% | 0.54 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63 | -33.8 | -178.6 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | H224 S225 N232 | H224-T228 WeakPolarHBondContact O-CB 3.41Å; H224-T228 VanDerWaalsContact O-CG2 3.31Å; H224-T228 WeakPolarHBondContact O-CG2 3.41Å; H224-T228 PolarHBondContact O-N 3.02Å; H224-T228 PolarHBondContact O-OG1 3.38Å; S225-T228 PolarHBondContact O-OG1 3.04Å; T228-N232 PolarHBondContact O-N 2.95Å |
| 229 | S | 52.9 | Low | 56.1 | Low | 65 Ų | 65 | 119 Ų | 119 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.9 | -42.8 | 173.4 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | S225 M226 E227 N232 S233 | S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 3.17Å; M226-S229 PolarHBondContact O-OG 2.84Å; M226-S229 VanDerWaalsContact O-OG 3.14Å; E227-S229 VanDerWaalsContact C-N 3.28Å; E227-S229 PolarHBondContact O-N 2.97Å; S229-N232 PolarHBondContact O-N 2.74Å; S229-S233 PolarHBondContact O-N 3.3Å; S229-S233 PolarHBondContact O-OG 3.34Å |
| 230 | N | 51.9 | Low | 54.5 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.5 | -44.3 | 176 | -91.2 | -76.2 | 0 | 0 | 0 | 113.2 | M226 E227 N232 S233 Q234 | M226-N230 PolarHBondContact O-N 3.27Å; M226-N230 PolarHBondContact O-ND2 3.49Å; E227-N230 PolarHBondContact O-N 3.37Å; N230-N232 VanDerWaalsContact C-N 3.26Å; N230-N232 PolarHBondContact O-N 2.91Å; N230-S233 PolarHBondContact O-N 3.21Å; N230-Q234 PolarHBondContact O-N 3.49Å |
| 231 | L | 51.7 | Low | 52.9 | Low | 109 Ų | 109 | 117.5 Ų | 117.5 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.8 | -32.8 | -179.7 | -74.6 | 168.1 | 0 | 0 | 0 | 112.5 | E227 R235 | E227-L231 WeakPolarHBondContact O-CB 3.42Å; E227-L231 WeakPolarHBondContact O-CG 3.31Å; E227-L231 PolarHBondContact O-N 2.8Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.36Å; L231-R235 VanDerWaalsContact O-N 3.14Å |
| 232 | N | 49.6 | Very low | 51.4 | Low | 121 Ų | 121 | 120 Ų | 120 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.5 | -40.2 | 178.7 | -133.6 | 0.5 | 0 | 0 | 0 | 112 | T228 S229 N230 R235 S236 | T228-N232 PolarHBondContact O-N 2.95Å; S229-N232 PolarHBondContact O-N 2.74Å; N230-N232 VanDerWaalsContact C-N 3.26Å; N230-N232 PolarHBondContact O-N 2.91Å; N232-R235 PolarHBondContact O-N 3.34Å; N232-S236 PolarHBondContact O-N 2.95Å; N232-S236 VanDerWaalsContact O-N 3.11Å |
| 233 | S | 48.3 | Very low | 50.1 | Low | 74 Ų | 74 | 121.8 Ų | 121.8 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -58 | -50.4 | 171.9 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | S229 N230 R235 S236 S237 | S229-S233 PolarHBondContact O-N 3.3Å; S229-S233 PolarHBondContact O-OG 3.34Å; N230-S233 PolarHBondContact O-N 3.21Å; S233-R235 VanDerWaalsContact C-N 3.34Å; S233-R235 PolarHBondContact O-N 3.22Å; S233-S236 PolarHBondContact O-N 3.42Å; S233-S236 PolarHBondContact O-OG 3.4Å; S233-S237 PolarHBondContact O-N 3.32Å; S233-S237 PolarHBondContact O-OG 3.33Å |
| 234 | Q | 49.6 | Very low | 48.9 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 66% | 0.659 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67 | -28.8 | -179.5 | -67.2 | -167.3 | 11.3 | 0 | 0 | 114.1 | N230 | N230-Q234 PolarHBondContact O-N 3.49Å |
| 235 | R | 46.2 | Very low | 48.1 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.8 | -29.1 | 173.1 | -87.7 | -174.7 | 164.5 | -172.1 | -2 | 113.6 | L231 N232 S233 | L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.36Å; L231-R235 VanDerWaalsContact O-N 3.14Å; N232-R235 PolarHBondContact O-N 3.34Å; S233-R235 VanDerWaalsContact C-N 3.34Å; S233-R235 PolarHBondContact O-N 3.22Å |
| 236 | S | 47.5 | Very low | 47.4 | Very low | 82 Ų | 82 | 129 Ų | 129 | 57% | 0.573 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -71.8 | -45.7 | 177.5 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | N232 S233 K238 | N232-S236 PolarHBondContact O-N 2.95Å; N232-S236 VanDerWaalsContact O-N 3.11Å; S233-S236 PolarHBondContact O-N 3.42Å; S233-S236 PolarHBondContact O-OG 3.4Å; S236-K238 PolarHBondContact O-N 3.11Å |
| 237 | S | 48.1 | Very low | 46.6 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 0.2 | -172.1 | -49.3 | 0 | 0 | 0 | 0 | 115.4 | S233 | S233-S237 PolarHBondContact O-N 3.32Å; S233-S237 PolarHBondContact O-OG 3.33Å |
| 238 | K | 46.3 | Very low | 46.1 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 12.4 | -178.1 | -109.1 | 171.1 | -177.9 | 169.5 | 0 | 115.5 | S236 | S236-K238 PolarHBondContact O-N 3.11Š|
| 239 | R | 42.1 | Very low | 45.2 | Very low | 233 Ų | 233 | 134.3 Ų | 134.3 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -12.8 | 171.4 | -71.5 | -172.4 | 174.8 | -171.7 | -1.3 | 115.4 | S241 | R239-S241 PolarHBondContact O-N 3.01Å; R239-S241 VanDerWaalsContact O-N 3.15Å |
| 240 | G | 38.1 | Very low | 44.6 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | -85.9 | 63 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 241 | S | 42 | Very low | 43.9 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -157.8 | 62.2 | 174.5 | -80.7 | 0 | 0 | 0 | 0 | 113.8 | R239 | R239-S241 PolarHBondContact O-N 3.01Å; R239-S241 VanDerWaalsContact O-N 3.15Å |
| 242 | K | 41.5 | Very low | 43.4 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -168.9 | 166.2 | 157.3 | -101.3 | 142.1 | -171.8 | 176.5 | 0 | 108.3 | | |
| 243 | T | 42.4 | Very low | 42.7 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 52.3 | 85 | 179.4 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 244 | S | 39.1 | Very low | 42.3 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -134.2 | 77 | 156.9 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 245 | L | 48.1 | Very low | 41.8 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -138.1 | 126.7 | 165.7 | -77.5 | 179.2 | 0 | 0 | 0 | 108.9 | | |
| 246 | N | 42.2 | Very low | 41.3 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | 63.3 | 118.2 | 168.9 | -56.6 | -8.1 | 0 | 0 | 0 | 117.3 | | |
| 247 | S | 40.6 | Very low | 40.8 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -103.2 | -171.3 | 166.9 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 248 | M | 42.4 | Very low | 40.4 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 72.6 | 133.7 | -174.6 | -55.5 | 124 | -165.7 | 0 | 0 | 113.1 | | |
| 249 | D | 39.3 | Very low | 40.3 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | cis | -124.8 | 169.6 | 11.3 | -81.2 | -60.4 | 0 | 0 | 0 | 114.6 | | |
| 250 | M | 38.9 | Very low | 40.2 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -115.5 | 169.3 | 174.2 | -91.9 | -160.6 | -178.7 | 0 | 0 | 111.9 | | |
| 251 | C | 38.5 | Very low | 40.6 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 74.8 | 158.3 | 170.3 | -53.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 252 | N | 40.1 | Very low | 40.6 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | cis | -142.2 | 170 | 5.8 | -152.2 | 0.1 | 0 | 0 | 0 | 114.3 | | |
| 253 | N | 36.1 | Very low | 40.7 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -61 | 155.9 | -174.8 | -168.9 | 33.8 | 0 | 0 | 0 | 117.8 | | |
| 254 | S | 39.4 | Very low | 40.8 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | 35.7 | 133.8 | 156 | -64.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 255 | N | 38.8 | Very low | 41.3 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | | -168.8 | -179.8 | 95.4 | -151.9 | 0.5 | 0 | 0 | 0 | 113.5 | | |
| 256 | I | 35.3 | Very low | 41 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -88.4 | 144.5 | -169.5 | -68.3 | 161.8 | 0 | 0 | 0 | 114.3 | | |
| 257 | G | 38.6 | Very low | 41 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | trans | 86 | 163.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 258 | S | 39.4 | Very low | 41.2 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | cis | -166.1 | 157.5 | -11.9 | -88.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 259 | S | 43.1 | Very low | 41 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | | | trans | 70 | 152.5 | 165.9 | -61.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 260 | N | 40.9 | Very low | 41.3 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | cis | -171.2 | 178.4 | -20.3 | -177.3 | 22.4 | 0 | 0 | 0 | 108.6 | | |
| 261 | I | 46.1 | Very low | 41.4 | Very low | 124 Ų | 124 | 125 Ų | 125 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | trans | 92.8 | 96 | 156.4 | -52.1 | -176.5 | 0 | 0 | 0 | 118.2 | | |
| 262 | N | 41.9 | Very low | 41.6 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | | | trans | 62.8 | 154.7 | 135.6 | -58.7 | 2 | 0 | 0 | 0 | 121.5 | | |
| 263 | S | 43.7 | Very low | 41.8 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | cis | -168.6 | 148.4 | -24.9 | -82.6 | 0 | 0 | 0 | 0 | 106 | | |
| 264 | S | 44.4 | Very low | 42 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | | 169.5 | 142.2 | 75.7 | -102.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 265 | H | 48.4 | Very low | 41.9 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | | | trans | 42.4 | 144.4 | 141.8 | -50.9 | 104.2 | 0 | 0 | 0 | 121.4 | | |
| 266 | N | 43.6 | Very low | 41.9 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | cis | -162.6 | 128.1 | -6.8 | -102.3 | -17.5 | 0 | 0 | 0 | 105.9 | | |
| 267 | N | 41.3 | Very low | 42.1 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | | 90.9 | 135.7 | 73.9 | -168.2 | 28.7 | 0 | 0 | 0 | 114.2 | | |
| 268 | S | 45.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | 68.1 | 148.2 | 171 | -66.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 269 | N | 38.1 | Very low | 41.8 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | cis | -165.7 | 134.2 | -24.2 | -171 | 21 | 0 | 0 | 0 | 111.7 | | |
| 270 | S | 44.6 | Very low | 41.5 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | trans | 31.3 | 151.9 | 151.9 | -54.6 | 0 | 0 | 0 | 0 | 126.2 | | |
| 271 | N | 42.8 | Very low | 41.2 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | 96.6 | 90.9 | 145.8 | -65.9 | -21.8 | 0 | 0 | 0 | 123.1 | | |
| 272 | N | 42.7 | Very low | 40.6 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | | 52.4 | 133 | 110.4 | -60.1 | -5.6 | 0 | 0 | 0 | 124.8 | | |
| 273 | N | 43.1 | Very low | 40.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | 82.4 | 111.1 | 141 | -74.2 | 2.6 | 0 | 0 | 0 | 123.7 | | |
| 274 | S | 40.2 | Very low | 39.9 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | | 50.7 | 124.8 | 125.2 | -54.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 275 | G | 38.2 | Very low | 39.3 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | trans | 172.1 | 102.3 | 158 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 276 | N | 38.8 | Very low | 39 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | 51.3 | 116.3 | 145.6 | -68.7 | 5.5 | 0 | 0 | 0 | 123.9 | | |
| 277 | T | 38.6 | Very low | 38.6 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | 33.1 | 129.5 | 125.7 | 62.9 | 0 | 0 | 0 | 0 | 122 | | |
| 278 | S | 38.9 | Very low | 38.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | | -174.1 | 175 | 107.4 | -158.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 279 | F | 32.8 | Very low | 38.1 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -93.5 | 145 | -169.9 | -47.9 | -100.1 | 0 | 0 | 0 | 113.9 | | |
| 280 | N | 37.1 | Very low | 38.1 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | | -162.5 | 164.4 | 124.6 | -140.4 | -10.7 | 0 | 0 | 0 | 115.2 | | |
| 281 | T | 34.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | | | trans | -27 | 126.9 | 174.2 | 44.9 | 0 | 0 | 0 | 0 | 120 | | |
| 282 | N | 33.8 | Very low | 37.7 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -167.1 | 173.6 | 90.3 | -117.7 | -18.6 | 0 | 0 | 0 | 110.4 | | |
| 283 | P | 35.5 | Very low | 37.6 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -94.4 | -168.8 | -161 | 37.3 | -37.4 | 0 | 0 | 0 | 114.2 | | |
| 284 | K | 34.7 | Very low | 37.4 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | | | trans | 88.3 | 44.4 | 149.6 | -149.8 | 175.6 | -175.2 | 177.4 | 0 | 117.9 | | |
| 285 | S | 32.4 | Very low | 37.5 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -146.2 | 51.7 | 164.9 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | N287 | S285-N287 PolarHBondContact O-N 3.16Š|
| 286 | R | 41.7 | Very low | 37.8 | Very low | 243 Ų | 243 | 138.4 Ų | 138.4 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 93.9 | 166.2 | -84.9 | -170.8 | -78.2 | 152.4 | -6.1 | 109.7 | | |
| 287 | N | 35.6 | Very low | 37.8 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | | | trans | -64.2 | 131.5 | 178.4 | -175.7 | -86 | 0 | 0 | 0 | 110.8 | S285 N289 | S285-N287 PolarHBondContact O-N 3.16Å; N287-N289 VanDerWaalsContact C-N 3.28Å; N287-N289 PolarHBondContact O-N 3.17Å; N287-N289 PolarHBondContact OD1-ND2 3.19Å |
| 288 | L | 39.3 | Very low | 37.8 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -80.6 | 74 | -179.6 | -74.8 | 82.8 | 0 | 0 | 0 | 111.1 | | |
| 289 | N | 37.4 | Very low | 37.8 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -122.8 | 49.7 | 163.7 | -85 | -60.3 | 0 | 0 | 0 | 110.5 | N287 | N287-N289 VanDerWaalsContact C-N 3.28Å; N287-N289 PolarHBondContact O-N 3.17Å; N287-N289 PolarHBondContact OD1-ND2 3.19Å |
| 290 | A | 37.4 | Very low | 38.2 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | | | trans | -129.9 | 38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 291 | V | 40.9 | Very low | 38.8 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | | | trans | -114.2 | 56.5 | 173 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 292 | T | 38.1 | Very low | 39.7 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -152 | 133.2 | 174.9 | -49.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 293 | N | 40.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 68 | 45.7 | 167.1 | -153.6 | 35.4 | 0 | 0 | 0 | 119.4 | N296 | N293-N296 PolarHBondContact OD1-ND2 3.26Š|
| 294 | S | 38.9 | Very low | 42.1 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -105.4 | -13.6 | 161.1 | -58.4 | 0 | 0 | 0 | 0 | 114.3 | N296 | S294-N296 PolarHBondContact O-N 3.02Š|
| 295 | N | 42.5 | Very low | 43.6 | Very low | 148 Ų | 148 | 113 Ų | 113 | 79% | 0.791 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 9.2 | -174.7 | -67.5 | 12.6 | 0 | 0 | 0 | 114.1 | | |
| 296 | N | 43.2 | Very low | 45.6 | Very low | 103 Ų | 103 | 110.1 Ų | 110.1 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -0.1 | -176 | -75.4 | -32.3 | 0 | 0 | 0 | 114.6 | N293 S294 | N293-N296 PolarHBondContact OD1-ND2 3.26Å; S294-N296 PolarHBondContact O-N 3.02Å |
| 297 | N | 39.1 | Very low | 47.6 | Very low | 140 Ų | 140 | 102.4 Ų | 102.4 | 75% | 0.749 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 6 | -176.5 | -107.4 | -17.8 | 0 | 0 | 0 | 115.8 | S300 | N297-S300 PolarHBondContact OD1-OG 3.38Š|
| 298 | F | 39.9 | Very low | 50.3 | Low | 181 Ų | 181 | 98.1 Ų | 98.1 | 79% | 0.794 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -31.4 | 164.2 | -161.9 | -106.2 | 0 | 0 | 0 | 111.6 | | |
| 299 | S | 38.8 | Very low | 53 | Low | 64 Ų | 64 | 93.4 Ų | 93.4 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.8 | -30.1 | -179.2 | -50.1 | 0 | 0 | 0 | 0 | 113.7 | N301 T302 N303 | S299-N301 PolarHBondContact O-N 3.16Å; S299-T302 PolarHBondContact O-N 3.02Å; S299-T302 PolarHBondContact O-OG1 3.34Å; S299-N303 PolarHBondContact O-N 3.4Å |
| 300 | S | 41.1 | Very low | 55.8 | Low | 46 Ų | 46 | 86.6 Ų | 86.6 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 177.4 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | N297 T302 N304 | N297-S300 PolarHBondContact OD1-OG 3.38Å; S300-T302 VanDerWaalsContact C-N 3.28Å; S300-T302 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-N 3.19Å; S300-N304 PolarHBondContact O-OD1 3.05Å |
| 301 | N | 49.6 | Very low | 58.6 | Low | 100 Ų | 100 | 84.7 Ų | 84.7 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73 | -19.1 | -178.7 | -154.4 | 4.9 | 0 | 0 | 0 | 113.2 | S299 S305 | S299-N301 PolarHBondContact O-N 3.16Å; N301-S305 VanDerWaalsContact O-CB 3.28Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.48Å; N301-S305 PolarHBondContact O-OG 3.05Å |
| 302 | T | 54 | Low | 61.2 | Low | 50 Ų | 50 | 78.5 Ų | 78.5 | 31% | 0.307 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.7 | -46.9 | 174.4 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | S299 S300 S305 E306 | S299-T302 PolarHBondContact O-N 3.02Å; S299-T302 PolarHBondContact O-OG1 3.34Å; S300-T302 VanDerWaalsContact C-N 3.28Å; S300-T302 PolarHBondContact O-N 3.09Å; T302-S305 PolarHBondContact O-N 2.97Å; T302-E306 PolarHBondContact O-N 2.74Å |
| 303 | N | 57.3 | Low | 64 | Low | 76 Ų | 76 | 72.7 Ų | 72.7 | 41% | 0.406 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 179.5 | -61.5 | 5.3 | 0 | 0 | 0 | 110.3 | S299 S305 E306 E307 | S299-N303 PolarHBondContact O-N 3.4Å; N303-S305 PolarHBondContact O-N 3.32Å; N303-E306 PolarHBondContact O-N 3.36Å; N303-E306 VanDerWaalsContact O-N 3.1Å; N303-E307 PolarHBondContact O-N 2.98Å |
| 304 | N | 60.9 | Low | 66.6 | Low | 85 Ų | 85 | 71.1 Ų | 71.1 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -21.4 | 174.7 | -64.9 | 18.5 | 0 | 0 | 0 | 113.2 | S300 R308 | S300-N304 PolarHBondContact O-N 3.19Å; S300-N304 PolarHBondContact O-OD1 3.05Å; N304-R308 WeakPolarHBondContact O-CB 3.4Å; N304-R308 WeakPolarHBondContact O-CD 3.43Å; N304-R308 WeakPolarHBondContact O-CG 3.49Å; N304-R308 PolarHBondContact O-NE 3.32Å |
| 305 | S | 67.6 | Low | 69.2 | Low | 36 Ų | 36 | 66.4 Ų | 66.4 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -89 | -32.4 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 113 | N301 T302 N303 R308 K309 | N301-S305 VanDerWaalsContact O-CB 3.28Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.48Å; N301-S305 PolarHBondContact O-OG 3.05Å; T302-S305 PolarHBondContact O-N 2.97Å; N303-S305 PolarHBondContact O-N 3.32Å; S305-R308 PolarHBondContact O-N 3.37Å; S305-R308 PolarHBondContact OG-NH2 3.14Å; S305-R308 VanDerWaalsContact OG-NH2 3.15Å; S305-K309 PolarHBondContact O-N 3.43Å |
| 306 | E | 74.1 | Confident | 71.6 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 170.7 | -68.2 | 173.4 | -169.7 | 0 | 0 | 109.3 | T302 N303 R308 K309 S388 K390 | T302-E306 PolarHBondContact O-N 2.74Å; N303-E306 PolarHBondContact O-N 3.36Å; N303-E306 VanDerWaalsContact O-N 3.1Å; E306-R308 PolarHBondContact O-N 3.24Å; E306-K309 PolarHBondContact O-N 3.32Å; E306-S388 WeakPolarHBondContact OE2-CB 3.46Å; E306-S388 PolarHBondContact OE2-OG 2.82Å; E306-K390 IonicContact OE1-NZ 3.47Å; E306-K390 PolarHBondContact OE1-NZ 3.1Å; E306-K390 IonicContact OE2-NZ 2.68Å |
| 307 | E | 83.1 | Confident | 73.9 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -6.3 | 177.7 | -67.4 | 170.8 | -148.3 | 0 | 0 | 114.8 | N303 Q358 F385 | N303-E307 PolarHBondContact O-N 2.98Å; E307-Q358 HydrophobicContact CB-CG 4.42Å; E307-Q358 PolarHBondContact OE2-NE2 3.41Å; E307-F385 WeakPolarHBondContact O-CE1 3.48Å |
| 308 | R | 92.9 | Very high | 76.4 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 13% | 0.125 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.7 | 172.7 | -80.9 | -175.7 | -64.1 | 149.9 | 4.9 | 114.2 | N304 S305 E306 E335 K354 F355 S356 Q358 | N304-R308 WeakPolarHBondContact O-CB 3.4Å; N304-R308 WeakPolarHBondContact O-CD 3.43Å; N304-R308 WeakPolarHBondContact O-CG 3.49Å; N304-R308 PolarHBondContact O-NE 3.32Å; S305-R308 PolarHBondContact O-N 3.37Å; S305-R308 PolarHBondContact OG-NH2 3.14Å; S305-R308 VanDerWaalsContact OG-NH2 3.15Å; E306-R308 PolarHBondContact O-N 3.24Å; R308-E335 IonicContact NH1-OE1 3.92Å; R308-E335 PolarHBondContact NH1-OE1 3.34Å; R308-K354 HydrophobicContact CB-CG 4.45Å; R308-K354 WeakPolarHBondContact O-CA 3.46Å; R308-F355 WeakPolarHBondContact CD-O 3.22Å; R308-F355 PolarHBondContact O-N 2.88Å; R308-F355 VanDerWaalsContact O-N 3.13Å; R308-S356 WeakPolarHBondContact CD-O 3.07Å; R308-S356 PolarHBondContact NH1-O 3.17Å; R308-Q358 HydrophobicContact CG-CB 4.26Å |
| 309 | K | 94.7 | Very high | 78.8 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 22% | 0.222 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.1 | -179.1 | -162.1 | 155.9 | -169.9 | 155.4 | 0 | 109.9 | S305 E306 E336 F352 K354 A386 | S305-K309 PolarHBondContact O-N 3.43Å; E306-K309 PolarHBondContact O-N 3.32Å; K309-E336 IonicContact NZ-OE1 2.76Å; K309-E336 PolarHBondContact NZ-OE1 2.95Å; K309-E336 IonicContact NZ-OE2 2.69Å; K309-E336 PolarHBondContact NZ-OE2 3.47Å; K309-F352 HydrophobicContact CG-CB 4.38Å; K309-F352 HydrophobicContact CG-CD1 4.42Å; K309-K354 HydrophobicContact CB-CG 4.45Å; K309-K354 HydrophobicContact CG-CB 4.44Å; K309-A386 HydrophobicContact CB-CB 4.12Å; K309-A386 HydrophobicContact CG-CB 4.08Å; K309-A386 VanDerWaalsContact O-CB 3.31Å; K309-A386 WeakPolarHBondContact O-CB 3.34Å; K309-A386 PolarHBondContact O-N 2.91Å |
| 310 | L | 96.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.6 | 177.8 | -57.9 | -172.8 | 0 | 0 | 0 | 110.3 | F328 F352 V353 F355 A361 A364 I365 V383 K384 F385 | L310-F328 HydrophobicContact CD1-CD1 4.44Å; L310-F328 HydrophobicContact CD1-CE1 4.02Å; L310-F352 VanDerWaalsContact O-CA 3.27Å; L310-F352 WeakPolarHBondContact O-CA 3.36Å; L310-F352 WeakPolarHBondContact O-CD1 3.24Å; L310-V353 PolarHBondContact N-O 3.03Å; L310-V353 PolarHBondContact O-N 2.96Å; L310-F355 HydrophobicContact CD1-CD2 4.07Å; L310-F355 HydrophobicContact CD1-CE2 3.71Å; L310-A361 HydrophobicContact CD1-CB 4.43Å; L310-A361 HydrophobicContact CD2-CB 4.02Å; L310-A361 HydrophobicContact CG-CB 4.25Å; L310-A364 HydrophobicContact CD1-CB 4.02Å; L310-I365 HydrophobicContact CD1-CG1 4.22Å; L310-I365 HydrophobicContact CD2-CD1 3.55Å; L310-I365 HydrophobicContact CD2-CG1 3.7Å; L310-V383 HydrophobicContact CD1-CG1 3.82Å; L310-K384 CarbonylContact C-O 3.55Å; L310-K384 VanDerWaalsContact CA-O 3.22Å; L310-K384 WeakPolarHBondContact CA-O 3.21Å; L310-F385 HydrophobicContact CD2-CD1 3.82Å; L310-F385 HydrophobicContact CD2-CE1 4.12Å |
| 311 | F | 96.5 | Very high | 83.9 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127 | 158.7 | 174.9 | -89.1 | 0 | 0 | 0 | 108.9 | C350 F352 K384 A386 | F311-C350 HydrophobicContact CE2-CB 3.78Å; F311-C350 HydrophobicContact CZ-CB 3.63Å; F311-F352 HydrophobicContact CB-CD1 4.26Å; F311-F352 HydrophobicContact CB-CE1 4Å; F311-F352 HydrophobicContact CD2-CD1 4.43Å; F311-F352 AromaticContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CZ 4.23Å; F311-F352 HydrophobicContact CG-CE1 4.44Å; F311-K384 HydrophobicContact CB-CG 4.33Å; F311-K384 HydrophobicContact CD1-CD 4.48Å; F311-K384 VanDerWaalsContact CD1-CE 3.47Å; F311-K384 HydrophobicContact CD1-CG 4.17Å; F311-K384 PolarHBondContact N-O 2.86Å; F311-K384 PolarHBondContact O-N 2.83Å; F311-A386 HydrophobicContact CB-CB 4.46Å |
| 312 | V | 96.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.7 | 174.6 | -171.6 | 0 | 0 | 0 | 0 | 107.9 | L315 F328 C350 A351 V353 I381 V382 V383 | V312-L315 HydrophobicContact CB-CD1 4.4Å; V312-L315 HydrophobicContact CG1-CD1 3.95Å; V312-L315 HydrophobicContact CG1-CD2 3.86Å; V312-L315 HydrophobicContact CG1-CG 3.94Å; V312-F328 HydrophobicContact CB-CZ 4.27Å; V312-F328 HydrophobicContact CG1-CE2 4.01Å; V312-F328 HydrophobicContact CG1-CZ 3.83Å; V312-F328 HydrophobicContact CG2-CE1 3.9Å; V312-F328 HydrophobicContact CG2-CE2 4.02Å; V312-F328 HydrophobicContact CG2-CZ 3.38Å; V312-C350 CarbonylContact O-C 3.53Å; V312-C350 WeakPolarHBondContact O-CA 3.41Å; V312-C350 WeakPolarHBondContact O-CB 3.36Å; V312-A351 HydrophobicContact CB-CB 4.27Å; V312-A351 PolarHBondContact N-O 2.77Å; V312-A351 PolarHBondContact O-N 3.1Å; V312-V353 HydrophobicContact CG2-CB 4.35Å; V312-V353 HydrophobicContact CG2-CG2 3.79Å; V312-I381 HydrophobicContact CG1-CD1 3.74Å; V312-I381 HydrophobicContact CG1-CG1 3.89Å; V312-V382 CarbonylContact C-O 3.52Å; V312-V382 WeakPolarHBondContact CA-O 3.22Å; V312-V383 HydrophobicContact CG1-CG2 4.42Å |
| 313 | G | 95.9 | Very high | 88 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 169.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L315 G349 V382 | G313-L315 PolarHBondContact O-N 3.41Å; G313-G349 CarbonylContact C-O 3.54Å; G313-V382 PolarHBondContact N-O 3.02Å; G313-V382 PolarHBondContact O-N 3.44Å |
| 314 | M | 95.2 | Very high | 89.8 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 60.6 | 31.7 | -171.4 | -49.5 | -56.8 | 168.4 | 0 | 0 | 113.2 | G349 A377 S380 V382 | M314-G349 PolarHBondContact N-O 3.17Å; M314-A377 WeakPolarHBondContact O-CB 3.46Å; M314-S380 WeakPolarHBondContact CB-O 3.14Å; M314-V382 HydrophobicContact CB-CG2 4.49Å; M314-V382 HydrophobicContact CG-CG2 3.74Å |
| 315 | L | 94.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | | | trans | -73.5 | 152.4 | 165.5 | -62.6 | 172.7 | 0 | 0 | 0 | 110 | V312 G313 V324 I339 G349 A351 I381 | V312-L315 HydrophobicContact CB-CD1 4.4Å; V312-L315 HydrophobicContact CG1-CD1 3.95Å; V312-L315 HydrophobicContact CG1-CD2 3.86Å; V312-L315 HydrophobicContact CG1-CG 3.94Å; G313-L315 PolarHBondContact O-N 3.41Å; L315-V324 HydrophobicContact CD1-CG2 3.68Å; L315-V324 HydrophobicContact CD2-CG2 4.13Å; L315-I339 HydrophobicContact CD1-CD1 4.18Å; L315-G349 PolarHBondContact N-O 3Å; L315-G349 WeakPolarHBondContact O-CA 3.21Å; L315-A351 HydrophobicContact CD1-CB 3.73Å; L315-I381 HydrophobicContact CD2-CD1 3.72Å; L315-I381 HydrophobicContact CD2-CG1 4.16Å |
| 316 | S | 93.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | | | trans | -69.9 | 151 | 171.4 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | Q318 Q319 P375 | S316-Q318 PolarHBondContact O-N 3.14Å; S316-Q319 WeakPolarHBondContact O-CB 3.24Å; S316-Q319 PolarHBondContact O-N 3.33Å; S316-Q319 VanDerWaalsContact O-N 3.15Å; S316-P375 WeakPolarHBondContact CB-O 3.35Å; S316-P375 PolarHBondContact OG-O 3.47Å |
| 317 | K | 91.5 | Very high | 93.8 | Very high | 169 Ų | 169 | 59.5 Ų | 59.5 | 74% | 0.735 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.1 | -179.3 | -66.9 | -175.3 | 179.3 | 179.4 | 0 | 113.7 | S347 | K317-S347 WeakPolarHBondContact O-CB 3.27Š|
| 318 | Q | 91.3 | Very high | 94.5 | Very high | 163 Ų | 163 | 55.6 Ų | 55.6 | 76% | 0.762 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.1 | 177.7 | -69.3 | 168.5 | -27.3 | 0 | 0 | 113.2 | S316 N320 | S316-Q318 PolarHBondContact O-N 3.14Å; Q318-N320 PolarHBondContact O-ND2 3.43Å |
| 319 | Q | 90.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | | | trans | -76.9 | 130.3 | -177 | -69.4 | -85.6 | -89.2 | 0 | 0 | 111.7 | S316 D323 | S316-Q319 WeakPolarHBondContact O-CB 3.24Å; S316-Q319 PolarHBondContact O-N 3.33Å; S316-Q319 VanDerWaalsContact O-N 3.15Å; Q319-D323 WeakPolarHBondContact CA-OD2 3.27Å; Q319-D323 VanDerWaalsContact NE2-CB 3.3Å; Q319-D323 VanDerWaalsContact NE2-CG 3.33Å; Q319-D323 PolarHBondContact NE2-OD2 3.11Å |
| 320 | N | 92.8 | Very high | 94.7 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | | | trans | -99 | 176.7 | 179.1 | -62.2 | -70.4 | 0 | 0 | 0 | 111.4 | Q318 E322 D323 V324 | Q318-N320 PolarHBondContact O-ND2 3.43Å; N320-E322 PolarHBondContact O-N 3.36Å; N320-D323 PolarHBondContact N-OD2 3.41Å; N320-D323 PolarHBondContact ND2-OD2 3.14Å; N320-D323 PolarHBondContact O-N 3.35Å; N320-V324 WeakPolarHBondContact O-CG2 3.46Å; N320-V324 PolarHBondContact O-N 3.06Å |
| 321 | E | 94.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -32.3 | -179.2 | -68.2 | 174.4 | 168 | 0 | 0 | 111.7 | R325 C337 T338 I339 | E321-R325 WeakPolarHBondContact O-CB 3.38Å; E321-R325 PolarHBondContact O-N 3.47Å; E321-C337 PolarHBondContact O-SG 3.39Å; E321-C337 VanDerWaalsContact O-SG 3.34Å; E321-T338 WeakPolarHBondContact OE1-CA 3.32Å; E321-I339 HydrophobicContact CG-CB 4.16Å; E321-I339 HydrophobicContact CG-CG1 3.61Å; E321-I339 PolarHBondContact OE1-N 2.94Å |
| 322 | E | 95.5 | Very high | 94.6 | Very high | 106 Ų | 106 | 62.4 Ų | 62.4 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75 | -39.4 | 178.1 | -156.8 | 62.9 | -165.3 | 0 | 0 | 112.8 | N320 V324 R325 L326 | N320-E322 PolarHBondContact O-N 3.36Å; E322-V324 VanDerWaalsContact C-N 3.28Å; E322-V324 PolarHBondContact O-N 3.25Å; E322-R325 WeakPolarHBondContact O-CA 3.07Å; E322-R325 WeakPolarHBondContact O-CB 3.4Å; E322-R325 PolarHBondContact O-N 2.95Å; E322-R325 VanDerWaalsContact O-N 3.08Å; E322-L326 HydrophobicContact CG-CD1 4.46Å; E322-L326 WeakPolarHBondContact O-CG 3.05Å; E322-L326 PolarHBondContact O-N 3.32Å |
| 323 | D | 94.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 66.7 Ų | 66.7 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.1 | -54.2 | -53.7 | 0 | 0 | 0 | 111.1 | Q319 N320 L327 | Q319-D323 WeakPolarHBondContact CA-OD2 3.27Å; Q319-D323 VanDerWaalsContact NE2-CB 3.3Å; Q319-D323 VanDerWaalsContact NE2-CG 3.33Å; Q319-D323 PolarHBondContact NE2-OD2 3.11Å; N320-D323 PolarHBondContact N-OD2 3.41Å; N320-D323 PolarHBondContact ND2-OD2 3.14Å; N320-D323 PolarHBondContact O-N 3.35Å; D323-L327 WeakPolarHBondContact O-CB 3.42Å; D323-L327 PolarHBondContact O-N 3.07Å; D323-L327 VanDerWaalsContact O-N 3.15Å |
| 324 | V | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -34 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L315 N320 E322 L327 F328 I339 A351 V353 | L315-V324 HydrophobicContact CD1-CG2 3.68Å; L315-V324 HydrophobicContact CD2-CG2 4.13Å; N320-V324 WeakPolarHBondContact O-CG2 3.46Å; N320-V324 PolarHBondContact O-N 3.06Å; E322-V324 VanDerWaalsContact C-N 3.28Å; E322-V324 PolarHBondContact O-N 3.25Å; V324-L327 PolarHBondContact O-N 3.43Å; V324-F328 HydrophobicContact CG1-CD2 4.04Å; V324-F328 HydrophobicContact CG1-CE2 4.19Å; V324-F328 VanDerWaalsContact O-CD2 3.25Å; V324-F328 WeakPolarHBondContact O-CD2 3.34Å; V324-F328 PolarHBondContact O-N 3.32Å; V324-I339 HydrophobicContact CG2-CD1 3.84Å; V324-A351 HydrophobicContact CG1-CB 4.45Å; V324-V353 HydrophobicContact CG1-CG2 3.62Å |
| 325 | R | 96.2 | Very high | 94.6 | Very high | 103 Ų | 103 | 67.5 Ų | 67.5 | 39% | 0.389 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -53.8 | 174.4 | -168.3 | -173.7 | -164.7 | 133.2 | 13.1 | 110.8 | E321 E322 L327 F328 E329 I334 | E321-R325 WeakPolarHBondContact O-CB 3.38Å; E321-R325 PolarHBondContact O-N 3.47Å; E322-R325 WeakPolarHBondContact O-CA 3.07Å; E322-R325 WeakPolarHBondContact O-CB 3.4Å; E322-R325 PolarHBondContact O-N 2.95Å; E322-R325 VanDerWaalsContact O-N 3.08Å; R325-L327 PolarHBondContact O-N 3.28Å; R325-F328 PolarHBondContact O-N 3.09Å; R325-E329 WeakPolarHBondContact O-CB 3.22Å; R325-E329 PolarHBondContact O-N 3.27Å; R325-I334 HydrophobicContact CB-CD1 4.44Å; R325-I334 HydrophobicContact CG-CD1 3.82Å; R325-I334 WeakPolarHBondContact O-CD1 3.42Å |
| 326 | L | 95.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 70.7 Ų | 70.7 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -32.8 | 179.8 | -68.7 | 166.8 | 0 | 0 | 0 | 112.6 | E322 P330 | E322-L326 HydrophobicContact CG-CD1 4.46Å; E322-L326 WeakPolarHBondContact O-CG 3.05Å; E322-L326 PolarHBondContact O-N 3.32Å; L326-P330 WeakPolarHBondContact O-CD 3.39Å |
| 327 | L | 94.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 71.5 Ų | 71.5 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.7 | -28 | 175.1 | -179 | 59.8 | 0 | 0 | 0 | 113.4 | D323 V324 R325 L368 M374 I381 | D323-L327 WeakPolarHBondContact O-CB 3.42Å; D323-L327 PolarHBondContact O-N 3.07Å; D323-L327 VanDerWaalsContact O-N 3.15Å; V324-L327 PolarHBondContact O-N 3.43Å; R325-L327 PolarHBondContact O-N 3.28Å; L327-L368 HydrophobicContact CD1-CD2 3.96Å; L327-L368 HydrophobicContact CG-CD1 4.32Å; L327-L368 HydrophobicContact CG-CD2 4.31Å; L327-M374 HydrophobicContact CD2-CE 4.24Å; L327-M374 HydrophobicContact CD2-SD 4.27Å; L327-I381 HydrophobicContact CD2-CD1 3.73Å |
| 328 | F | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -103 | -21.6 | -175.2 | -82.3 | -107 | 0 | 0 | 0 | 113.8 | L310 V312 V324 R325 P330 F331 I334 V353 F355 A364 L368 I381 V383 | L310-F328 HydrophobicContact CD1-CD1 4.44Å; L310-F328 HydrophobicContact CD1-CE1 4.02Å; V312-F328 HydrophobicContact CB-CZ 4.27Å; V312-F328 HydrophobicContact CG1-CE2 4.01Å; V312-F328 HydrophobicContact CG1-CZ 3.83Å; V312-F328 HydrophobicContact CG2-CE1 3.9Å; V312-F328 HydrophobicContact CG2-CE2 4.02Å; V312-F328 HydrophobicContact CG2-CZ 3.38Å; V324-F328 HydrophobicContact CG1-CD2 4.04Å; V324-F328 HydrophobicContact CG1-CE2 4.19Å; V324-F328 VanDerWaalsContact O-CD2 3.25Å; V324-F328 WeakPolarHBondContact O-CD2 3.34Å; V324-F328 PolarHBondContact O-N 3.32Å; R325-F328 PolarHBondContact O-N 3.09Å; F328-P330 VanDerWaalsContact C-CD 3.44Å; F328-F331 PolarHBondContact O-N 2.97Å; F328-F331 VanDerWaalsContact O-N 3.09Å; F328-I334 HydrophobicContact CB-CD1 3.64Å; F328-I334 HydrophobicContact CB-CG1 4.48Å; F328-V353 HydrophobicContact CB-CG1 4.24Å; F328-V353 HydrophobicContact CD1-CB 4.38Å; F328-V353 HydrophobicContact CD1-CG1 4.04Å; F328-V353 HydrophobicContact CD1-CG2 4.42Å; F328-V353 HydrophobicContact CG-CG1 4.24Å; F328-V353 HydrophobicContact CG-CG2 4.4Å; F328-F355 HydrophobicContact CB-CZ 4.02Å; F328-F355 AromaticContact CD1-CE2 3.9Å; F328-F355 HydrophobicContact CD1-CE2 3.9Å; F328-F355 AromaticContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CG-CZ 4.47Å; F328-A364 HydrophobicContact CD1-CB 4.11Å; F328-A364 HydrophobicContact CE1-CB 4.3Å; F328-L368 HydrophobicContact CD1-CD1 3.87Å; F328-L368 HydrophobicContact CD2-CD1 3.81Å; F328-L368 HydrophobicContact CE1-CD1 3.68Å; F328-L368 HydrophobicContact CE2-CD1 3.62Å; F328-L368 HydrophobicContact CG-CD1 3.94Å; F328-L368 HydrophobicContact CZ-CD1 3.55Å; F328-I381 HydrophobicContact CE2-CD1 4.26Å; F328-V383 HydrophobicContact CE1-CG1 3.73Å; F328-V383 HydrophobicContact CE1-CG2 4.32Å; F328-V383 HydrophobicContact CZ-CG1 3.94Å; F328-V383 HydrophobicContact CZ-CG2 3.71Å |
| 329 | E | 96.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -55.1 | -37.5 | 178.6 | 177.4 | 170 | -132.1 | 0 | 0 | 114.7 | R325 F331 G332 | R325-E329 WeakPolarHBondContact O-CB 3.22Å; R325-E329 PolarHBondContact O-N 3.27Å; E329-F331 PolarHBondContact O-N 3.15Å; E329-G332 PolarHBondContact O-N 2.99Å; E329-G332 VanDerWaalsContact O-N 3.1Å |
| 330 | P | 95.9 | Very high | 95.3 | Very high | 102 Ų | 102 | 59 Ų | 59 | 66% | 0.662 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -61 | -13.6 | 175.3 | -26.1 | 36.3 | 0 | 0 | 0 | 115.2 | L326 F328 | L326-P330 WeakPolarHBondContact O-CD 3.39Å; F328-P330 VanDerWaalsContact C-CD 3.44Å |
| 331 | F | 95.7 | Very high | 95.4 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -100.8 | -8.1 | 179.7 | -55.8 | -75.6 | 0 | 0 | 0 | 113.7 | F328 E329 F355 E360 A364 T367 L368 | F328-F331 PolarHBondContact O-N 2.97Å; F328-F331 VanDerWaalsContact O-N 3.09Å; E329-F331 PolarHBondContact O-N 3.15Å; F331-F355 HydrophobicContact CB-CE1 4.38Å; F331-F355 HydrophobicContact CB-CZ 4.17Å; F331-E360 WeakPolarHBondContact O-CA 3.43Å; F331-E360 VanDerWaalsContact O-CB 3.29Å; F331-E360 WeakPolarHBondContact O-CB 3.43Å; F331-E360 WeakPolarHBondContact O-CG 3.48Å; F331-A364 HydrophobicContact CB-CB 3.79Å; F331-A364 HydrophobicContact CD2-CB 4.27Å; F331-A364 HydrophobicContact CG-CB 3.97Å; F331-T367 HydrophobicContact CE1-CG2 3.64Å; F331-T367 HydrophobicContact CZ-CG2 3.82Å; F331-L368 HydrophobicContact CD2-CD1 4.01Å; F331-L368 HydrophobicContact CD2-CG 4.33Å; F331-L368 HydrophobicContact CE2-CD1 3.66Å; F331-L368 HydrophobicContact CE2-CD2 3.8Å; F331-L368 HydrophobicContact CE2-CG 3.61Å; F331-L368 HydrophobicContact CZ-CD1 4.48Å; F331-L368 HydrophobicContact CZ-CD2 4.04Å; F331-L368 HydrophobicContact CZ-CG 3.96Å |
| 332 | G | 95.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 150.1 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E329 I334 F355 E360 | E329-G332 PolarHBondContact O-N 2.99Å; E329-G332 VanDerWaalsContact O-N 3.1Å; G332-I334 PolarHBondContact O-N 3.4Å; G332-F355 WeakPolarHBondContact O-CE1 3.14Å; G332-E360 WeakPolarHBondContact CA-OE1 3.18Å |
| 333 | T | 96.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | | | trans | -76.7 | 121.3 | -178.4 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | F355 S356 E360 | T333-F355 CarbonylContact O-C 3.59Å; T333-F355 WeakPolarHBondContact O-CA 3.4Å; T333-F355 WeakPolarHBondContact O-CD1 3.42Å; T333-S356 PolarHBondContact O-N 3.25Å; T333-S356 PolarHBondContact O-OG 2.82Å; T333-E360 PolarHBondContact N-OE1 3.06Å |
| 334 | I | 96 | Very high | 95.2 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.9 | 179.1 | -60.4 | 167.1 | 0 | 0 | 0 | 109.9 | R325 F328 G332 C337 V353 K354 F355 | R325-I334 HydrophobicContact CB-CD1 4.44Å; R325-I334 HydrophobicContact CG-CD1 3.82Å; R325-I334 WeakPolarHBondContact O-CD1 3.42Å; F328-I334 HydrophobicContact CB-CD1 3.64Å; F328-I334 HydrophobicContact CB-CG1 4.48Å; G332-I334 PolarHBondContact O-N 3.4Å; I334-C337 HydrophobicContact CG2-CB 4.37Å; I334-V353 HydrophobicContact CD1-CG1 4.28Å; I334-V353 HydrophobicContact CG1-CG1 4.15Å; I334-V353 HydrophobicContact CG2-CG1 4.04Å; I334-K354 CarbonylContact C-O 3.45Å; I334-K354 WeakPolarHBondContact CA-O 3.34Å; I334-F355 HydrophobicContact CG1-CD1 4.27Å; I334-F355 HydrophobicContact CG1-CE1 3.93Å; I334-F355 HydrophobicContact CG1-CZ 4.43Å |
| 335 | E | 94.8 | Very high | 95 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -37.5 | 173 | -69.2 | -173.1 | -175.3 | 0 | 0 | 112.4 | R308 K354 S356 | R308-E335 IonicContact NH1-OE1 3.92Å; R308-E335 PolarHBondContact NH1-OE1 3.34Å; E335-K354 HydrophobicContact CB-CD 4.25Å; E335-K354 PolarHBondContact N-O 2.76Å; E335-K354 WeakPolarHBondContact OE2-CD 3.14Å; E335-K354 WeakPolarHBondContact OE2-CE 3.44Å; E335-K354 IonicContact OE2-NZ 3.81Å; E335-K354 PolarHBondContact OE2-NZ 3.17Å; E335-S356 WeakPolarHBondContact OE1-CA 3.22Å |
| 336 | E | 94.2 | Very high | 94.8 | Very high | 74 Ų | 74 | 67.3 Ų | 67.3 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 130.4 | -171.3 | -169.5 | -166.4 | 171.5 | 0 | 0 | 109.7 | K309 V353 K354 | K309-E336 IonicContact NZ-OE1 2.76Å; K309-E336 PolarHBondContact NZ-OE1 2.95Å; K309-E336 IonicContact NZ-OE2 2.69Å; K309-E336 PolarHBondContact NZ-OE2 3.47Å; E336-V353 CarbonylContact O-C 3.53Å; E336-V353 WeakPolarHBondContact O-CA 3.24Å; E336-K354 HydrophobicContact CB-CB 3.8Å; E336-K354 HydrophobicContact CB-CD 4.31Å; E336-K354 PolarHBondContact N-O 2.95Å; E336-K354 PolarHBondContact O-N 2.9Å |
| 337 | C | 95.3 | Very high | 94.7 | Very high | 27 Ų | 27 | 63 Ų | 63 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.9 | 168 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | E321 I334 F352 | E321-C337 PolarHBondContact O-SG 3.39Å; E321-C337 VanDerWaalsContact O-SG 3.34Å; I334-C337 HydrophobicContact CG2-CB 4.37Å; C337-F352 CarbonylContact C-O 3.44Å; C337-F352 WeakPolarHBondContact CA-O 3.42Å |
| 338 | T | 95.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 120.1 | 176.8 | -49.6 | 0 | 0 | 0 | 0 | 111 | E321 A351 F352 | E321-T338 WeakPolarHBondContact OE1-CA 3.32Å; T338-A351 CarbonylContact O-C 3.56Å; T338-A351 WeakPolarHBondContact O-CA 3.47Å; T338-A351 WeakPolarHBondContact O-CB 3.29Å; T338-F352 PolarHBondContact N-O 3.22Å; T338-F352 PolarHBondContact O-N 3.45Å |
| 339 | I | 95.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131.1 | 171.8 | -65.7 | -57.2 | 0 | 0 | 0 | 109.4 | L315 E321 V324 R341 S347 A351 | L315-I339 HydrophobicContact CD1-CD1 4.18Å; E321-I339 HydrophobicContact CG-CB 4.16Å; E321-I339 HydrophobicContact CG-CG1 3.61Å; E321-I339 PolarHBondContact OE1-N 2.94Å; V324-I339 HydrophobicContact CG2-CD1 3.84Å; I339-R341 HydrophobicContact CG2-CG 4.13Å; I339-R341 PolarHBondContact O-N 3.01Å; I339-S347 WeakPolarHBondContact CG2-OG 3.5Å; I339-A351 HydrophobicContact CD1-CB 3.72Å |
| 340 | L | 94.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 111.1 | 170.4 | -95.4 | 60.7 | 0 | 0 | 0 | 109.2 | K348 C350 F352 | L340-K348 VanDerWaalsContact O-CB 3.26Å; L340-K348 WeakPolarHBondContact O-CB 3.27Å; L340-K348 VanDerWaalsContact O-CG 3.32Å; L340-K348 WeakPolarHBondContact O-CG 3.34Å; L340-K348 PolarHBondContact O-N 2.95Å; L340-C350 PolarHBondContact N-O 2.97Å; L340-F352 HydrophobicContact CD1-CD2 3.48Å; L340-F352 VanDerWaalsContact CD1-CD2 3.48Å; L340-F352 HydrophobicContact CD1-CE2 3.65Å; L340-F352 HydrophobicContact CD1-CG 4.5Å; L340-F352 HydrophobicContact CD2-CE2 4.06Å; L340-F352 HydrophobicContact CG-CE2 4.48Å |
| 341 | R | 95.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 58.2 Ų | 58.2 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 154 | 174.9 | -63.7 | 174.5 | -177.1 | -91 | 0.9 | 110.8 | I339 G345 N346 | I339-R341 HydrophobicContact CG2-CG 4.13Å; I339-R341 PolarHBondContact O-N 3.01Å; R341-G345 WeakPolarHBondContact CD-O 3.39Å; R341-G345 WeakPolarHBondContact CG-O 3.23Å; R341-G345 PolarHBondContact NH1-O 3.33Å; R341-G345 VanDerWaalsContact NH1-O 3.08Å; R341-N346 CarbonylContact C-O 3.54Å; R341-N346 VanDerWaalsContact CA-O 3.27Å; R341-N346 WeakPolarHBondContact CA-O 3.41Å |
| 342 | D | 94.2 | Very high | 94.6 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | | | trans | -92.9 | 176.6 | 174.7 | -142.4 | 21.2 | 0 | 0 | 0 | 111.6 | N344 G345 N346 K348 | D342-N344 PolarHBondContact O-N 3.17Å; D342-G345 PolarHBondContact O-N 2.76Å; D342-N346 PolarHBondContact N-O 3.34Å; D342-K348 HydrophobicContact CB-CD 3.96Å; D342-K348 HydrophobicContact CB-CG 3.86Å; D342-K348 IonicContact OD1-NZ 2.63Å; D342-K348 PolarHBondContact OD1-NZ 3.26Å |
| 343 | Q | 93.8 | Very high | 94.6 | Very high | 139 Ų | 139 | 57.4 Ų | 57.4 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -29.2 | 177.9 | 74.8 | -57.4 | 81.5 | 0 | 0 | 115.3 | | |
| 344 | N | 92.2 | Very high | 94.6 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 8 | 177.9 | -66.6 | 121.8 | 0 | 0 | 0 | 113.8 | D342 N346 | D342-N344 PolarHBondContact O-N 3.17Å; N344-N346 PolarHBondContact O-N 2.96Å; N344-N346 VanDerWaalsContact O-N 3.16Å |
| 345 | G | 90.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 78.2 | -13.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R341 D342 | R341-G345 WeakPolarHBondContact CD-O 3.39Å; R341-G345 WeakPolarHBondContact CG-O 3.23Å; R341-G345 PolarHBondContact NH1-O 3.33Å; R341-G345 VanDerWaalsContact NH1-O 3.08Å; D342-G345 PolarHBondContact O-N 2.76Å |
| 346 | N | 92.6 | Very high | 94.6 | Very high | 104 Ų | 104 | 51.4 Ų | 51.4 | 56% | 0.556 | 27% | 0.269 | S | S | * | . | | | trans | -59.5 | 137.7 | 176.1 | -71.2 | -44.4 | 0 | 0 | 0 | 112.4 | R341 D342 N344 | R341-N346 CarbonylContact C-O 3.54Å; R341-N346 VanDerWaalsContact CA-O 3.27Å; R341-N346 WeakPolarHBondContact CA-O 3.41Å; D342-N346 PolarHBondContact N-O 3.34Å; N344-N346 PolarHBondContact O-N 2.96Å; N344-N346 VanDerWaalsContact O-N 3.16Å |
| 347 | S | 94 | Very high | 94.6 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 135.7 | 171.6 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | K317 I339 G349 | K317-S347 WeakPolarHBondContact O-CB 3.27Å; I339-S347 WeakPolarHBondContact CG2-OG 3.5Å; S347-G349 VanDerWaalsContact C-N 3.26Å; S347-G349 PolarHBondContact O-N 3.15Å; S347-G349 PolarHBondContact OG-N 3.47Å |
| 348 | K | 94 | Very high | 94.5 | Very high | 113 Ų | 113 | 52.7 Ų | 52.7 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 4.6 | 177.5 | -59.3 | -176.3 | 73.3 | 141.4 | 0 | 113 | L340 D342 C350 | L340-K348 VanDerWaalsContact O-CB 3.26Å; L340-K348 WeakPolarHBondContact O-CB 3.27Å; L340-K348 VanDerWaalsContact O-CG 3.32Å; L340-K348 WeakPolarHBondContact O-CG 3.34Å; L340-K348 PolarHBondContact O-N 2.95Å; D342-K348 HydrophobicContact CB-CD 3.96Å; D342-K348 HydrophobicContact CB-CG 3.86Å; D342-K348 IonicContact OD1-NZ 2.63Å; D342-K348 PolarHBondContact OD1-NZ 3.26Å; K348-C350 VanDerWaalsContact C-N 3.29Å |
| 349 | G | 93.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 57 Ų | 57 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.2 | 24.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G313 M314 L315 S347 | G313-G349 CarbonylContact C-O 3.54Å; M314-G349 PolarHBondContact N-O 3.17Å; L315-G349 PolarHBondContact N-O 3Å; L315-G349 WeakPolarHBondContact O-CA 3.21Å; S347-G349 VanDerWaalsContact C-N 3.26Å; S347-G349 PolarHBondContact O-N 3.15Å; S347-G349 PolarHBondContact OG-N 3.47Å |
| 350 | C | 94.9 | Very high | 94.5 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 12% | 0.122 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158.2 | 175.5 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | F311 V312 L340 K348 | F311-C350 HydrophobicContact CE2-CB 3.78Å; F311-C350 HydrophobicContact CZ-CB 3.63Å; V312-C350 CarbonylContact O-C 3.53Å; V312-C350 WeakPolarHBondContact O-CA 3.41Å; V312-C350 WeakPolarHBondContact O-CB 3.36Å; L340-C350 PolarHBondContact N-O 2.97Å; K348-C350 VanDerWaalsContact C-N 3.29Å |
| 351 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 165 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V312 L315 V324 T338 I339 | V312-A351 HydrophobicContact CB-CB 4.27Å; V312-A351 PolarHBondContact N-O 2.77Å; V312-A351 PolarHBondContact O-N 3.1Å; L315-A351 HydrophobicContact CD1-CB 3.73Å; V324-A351 HydrophobicContact CG1-CB 4.45Å; T338-A351 CarbonylContact O-C 3.56Å; T338-A351 WeakPolarHBondContact O-CA 3.47Å; T338-A351 WeakPolarHBondContact O-CB 3.29Å; I339-A351 HydrophobicContact CD1-CB 3.72Å |
| 352 | F | 96.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.5 | 156.8 | -67.3 | -69.7 | 0 | 0 | 0 | 110.1 | K309 L310 F311 C337 T338 L340 A386 | K309-F352 HydrophobicContact CG-CB 4.38Å; K309-F352 HydrophobicContact CG-CD1 4.42Å; L310-F352 VanDerWaalsContact O-CA 3.27Å; L310-F352 WeakPolarHBondContact O-CA 3.36Å; L310-F352 WeakPolarHBondContact O-CD1 3.24Å; F311-F352 HydrophobicContact CB-CD1 4.26Å; F311-F352 HydrophobicContact CB-CE1 4Å; F311-F352 HydrophobicContact CD2-CD1 4.43Å; F311-F352 AromaticContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CZ 4.23Å; F311-F352 HydrophobicContact CG-CE1 4.44Å; C337-F352 CarbonylContact C-O 3.44Å; C337-F352 WeakPolarHBondContact CA-O 3.42Å; T338-F352 PolarHBondContact N-O 3.22Å; T338-F352 PolarHBondContact O-N 3.45Å; L340-F352 HydrophobicContact CD1-CD2 3.48Å; L340-F352 VanDerWaalsContact CD1-CD2 3.48Å; L340-F352 HydrophobicContact CD1-CE2 3.65Å; L340-F352 HydrophobicContact CD1-CG 4.5Å; L340-F352 HydrophobicContact CD2-CE2 4.06Å; L340-F352 HydrophobicContact CG-CE2 4.48Å; F352-A386 HydrophobicContact CD1-CB 3.82Å; F352-A386 HydrophobicContact CE1-CB 3.66Å |
| 353 | V | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.1 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | L310 V312 V324 F328 I334 E336 F355 | L310-V353 PolarHBondContact N-O 3.03Å; L310-V353 PolarHBondContact O-N 2.96Å; V312-V353 HydrophobicContact CG2-CB 4.35Å; V312-V353 HydrophobicContact CG2-CG2 3.79Å; V324-V353 HydrophobicContact CG1-CG2 3.62Å; F328-V353 HydrophobicContact CB-CG1 4.24Å; F328-V353 HydrophobicContact CD1-CB 4.38Å; F328-V353 HydrophobicContact CD1-CG1 4.04Å; F328-V353 HydrophobicContact CD1-CG2 4.42Å; F328-V353 HydrophobicContact CG-CG1 4.24Å; F328-V353 HydrophobicContact CG-CG2 4.4Å; I334-V353 HydrophobicContact CD1-CG1 4.28Å; I334-V353 HydrophobicContact CG1-CG1 4.15Å; I334-V353 HydrophobicContact CG2-CG1 4.04Å; E336-V353 CarbonylContact O-C 3.53Å; E336-V353 WeakPolarHBondContact O-CA 3.24Å; V353-F355 HydrophobicContact CG1-CE2 4.18Å |
| 354 | K | 95.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.8 | 179.1 | -168.4 | -164.9 | 178 | -160.1 | 0 | 109.7 | R308 K309 I334 E335 E336 | R308-K354 HydrophobicContact CB-CG 4.45Å; R308-K354 WeakPolarHBondContact O-CA 3.46Å; K309-K354 HydrophobicContact CB-CG 4.45Å; K309-K354 HydrophobicContact CG-CB 4.44Å; I334-K354 CarbonylContact C-O 3.45Å; I334-K354 WeakPolarHBondContact CA-O 3.34Å; E335-K354 HydrophobicContact CB-CD 4.25Å; E335-K354 PolarHBondContact N-O 2.76Å; E335-K354 WeakPolarHBondContact OE2-CD 3.14Å; E335-K354 WeakPolarHBondContact OE2-CE 3.44Å; E335-K354 IonicContact OE2-NZ 3.81Å; E335-K354 PolarHBondContact OE2-NZ 3.17Å; E336-K354 HydrophobicContact CB-CB 3.8Å; E336-K354 HydrophobicContact CB-CD 4.31Å; E336-K354 PolarHBondContact N-O 2.95Å; E336-K354 PolarHBondContact O-N 2.9Å |
| 355 | F | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 160 | 175.1 | -75.1 | -82.7 | 0 | 0 | 0 | 112.2 | R308 L310 F328 F331 G332 T333 I334 V353 T357 E360 A361 A364 | R308-F355 WeakPolarHBondContact CD-O 3.22Å; R308-F355 PolarHBondContact O-N 2.88Å; R308-F355 VanDerWaalsContact O-N 3.13Å; L310-F355 HydrophobicContact CD1-CD2 4.07Å; L310-F355 HydrophobicContact CD1-CE2 3.71Å; F328-F355 HydrophobicContact CB-CZ 4.02Å; F328-F355 AromaticContact CD1-CE2 3.9Å; F328-F355 HydrophobicContact CD1-CE2 3.9Å; F328-F355 AromaticContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CG-CZ 4.47Å; F331-F355 HydrophobicContact CB-CE1 4.38Å; F331-F355 HydrophobicContact CB-CZ 4.17Å; G332-F355 WeakPolarHBondContact O-CE1 3.14Å; T333-F355 CarbonylContact O-C 3.59Å; T333-F355 WeakPolarHBondContact O-CA 3.4Å; T333-F355 WeakPolarHBondContact O-CD1 3.42Å; I334-F355 HydrophobicContact CG1-CD1 4.27Å; I334-F355 HydrophobicContact CG1-CE1 3.93Å; I334-F355 HydrophobicContact CG1-CZ 4.43Å; V353-F355 HydrophobicContact CG1-CE2 4.18Å; F355-T357 VanDerWaalsContact C-N 3.35Å; F355-T357 WeakPolarHBondContact CB-O 3.27Å; F355-E360 HydrophobicContact CB-CB 3.95Å; F355-E360 HydrophobicContact CD1-CB 3.64Å; F355-E360 HydrophobicContact CE1-CB 4.28Å; F355-E360 HydrophobicContact CG-CB 3.84Å; F355-A361 HydrophobicContact CB-CB 4.25Å; F355-A361 HydrophobicContact CD2-CB 3.83Å; F355-A361 HydrophobicContact CG-CB 4.39Å; F355-A364 HydrophobicContact CE2-CB 3.6Å; F355-A364 HydrophobicContact CZ-CB 3.73Å |
| 356 | S | 95 | Very high | 95.4 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -64 | -38.2 | 172.3 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | R308 T333 E335 | R308-S356 WeakPolarHBondContact CD-O 3.07Å; R308-S356 PolarHBondContact NH1-O 3.17Å; T333-S356 PolarHBondContact O-N 3.25Å; T333-S356 PolarHBondContact O-OG 2.82Å; E335-S356 WeakPolarHBondContact OE1-CA 3.22Å |
| 357 | T | 93.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -122.7 | 161.4 | 177.9 | 76.7 | 0 | 0 | 0 | 0 | 112.5 | F355 E360 | F355-T357 VanDerWaalsContact C-N 3.35Å; F355-T357 WeakPolarHBondContact CB-O 3.27Å; T357-E360 WeakPolarHBondContact CA-OE2 3.22Å; T357-E360 VanDerWaalsContact CB-OE2 3.24Å; T357-E360 WeakPolarHBondContact CB-OE2 3.31Å; T357-E360 WeakPolarHBondContact CG2-OE2 3.07Å; T357-E360 PolarHBondContact N-OE2 2.99Å; T357-E360 VanDerWaalsContact OG1-CD 3.24Å; T357-E360 VanDerWaalsContact OG1-CG 3.24Å; T357-E360 WeakPolarHBondContact OG1-CG 3.27Å; T357-E360 PolarHBondContact OG1-N 3.47Å; T357-E360 PolarHBondContact OG1-OE2 3.46Å |
| 358 | Q | 93.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.9 | -28.1 | 176.3 | -177.8 | 178.2 | 19.1 | 0 | 0 | 112.7 | E307 R308 A361 Q362 | E307-Q358 HydrophobicContact CB-CG 4.42Å; E307-Q358 PolarHBondContact OE2-NE2 3.41Å; R308-Q358 HydrophobicContact CG-CB 4.26Å; Q358-A361 PolarHBondContact O-N 3.35Å; Q358-Q362 WeakPolarHBondContact O-CG 3.46Å; Q358-Q362 PolarHBondContact O-N 3.37Å |
| 359 | Q | 95.1 | Very high | 95.7 | Very high | 145 Ų | 145 | 45.1 Ų | 45.1 | 68% | 0.678 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -72.4 | -39.1 | -177.5 | -69.4 | 175.1 | -20.6 | 0 | 0 | 111.7 | Q362 S363 | Q359-Q362 PolarHBondContact O-N 3.23Å; Q359-S363 WeakPolarHBondContact O-CB 3.25Å; Q359-S363 PolarHBondContact O-N 3.04Å; Q359-S363 PolarHBondContact O-OG 2.71Å |
| 360 | E | 96.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 168.9 | -65.5 | 162.6 | 124.5 | 0 | 0 | 110.6 | F331 G332 T333 F355 T357 Q362 S363 A364 | F331-E360 WeakPolarHBondContact O-CA 3.43Å; F331-E360 VanDerWaalsContact O-CB 3.29Å; F331-E360 WeakPolarHBondContact O-CB 3.43Å; F331-E360 WeakPolarHBondContact O-CG 3.48Å; G332-E360 WeakPolarHBondContact CA-OE1 3.18Å; T333-E360 PolarHBondContact N-OE1 3.06Å; F355-E360 HydrophobicContact CB-CB 3.95Å; F355-E360 HydrophobicContact CD1-CB 3.64Å; F355-E360 HydrophobicContact CE1-CB 4.28Å; F355-E360 HydrophobicContact CG-CB 3.84Å; T357-E360 WeakPolarHBondContact CA-OE2 3.22Å; T357-E360 VanDerWaalsContact CB-OE2 3.24Å; T357-E360 WeakPolarHBondContact CB-OE2 3.31Å; T357-E360 WeakPolarHBondContact CG2-OE2 3.07Å; T357-E360 PolarHBondContact N-OE2 2.99Å; T357-E360 VanDerWaalsContact OG1-CD 3.24Å; T357-E360 VanDerWaalsContact OG1-CG 3.24Å; T357-E360 WeakPolarHBondContact OG1-CG 3.27Å; T357-E360 PolarHBondContact OG1-N 3.47Å; T357-E360 PolarHBondContact OG1-OE2 3.46Å; E360-Q362 PolarHBondContact O-N 2.82Å; E360-S363 PolarHBondContact O-N 2.74Å; E360-S363 VanDerWaalsContact O-N 3.17Å; E360-A364 WeakPolarHBondContact O-CB 3.41Å; E360-A364 PolarHBondContact O-N 3.11Å |
| 361 | A | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L310 F355 Q358 I365 F385 | L310-A361 HydrophobicContact CD1-CB 4.43Å; L310-A361 HydrophobicContact CD2-CB 4.02Å; L310-A361 HydrophobicContact CG-CB 4.25Å; F355-A361 HydrophobicContact CB-CB 4.25Å; F355-A361 HydrophobicContact CD2-CB 3.83Å; F355-A361 HydrophobicContact CG-CB 4.39Å; Q358-A361 PolarHBondContact O-N 3.35Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 3.39Å; A361-I365 VanDerWaalsContact O-N 3.11Å; A361-F385 HydrophobicContact CB-CE1 4.45Å |
| 362 | Q | 96 | Very high | 95.4 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 173.1 | -76.5 | 173.1 | -2.3 | 0 | 0 | 111.9 | Q358 Q359 E360 A364 I365 L366 F385 | Q358-Q362 WeakPolarHBondContact O-CG 3.46Å; Q358-Q362 PolarHBondContact O-N 3.37Å; Q359-Q362 PolarHBondContact O-N 3.23Å; E360-Q362 PolarHBondContact O-N 2.82Å; Q362-A364 VanDerWaalsContact C-N 3.34Å; Q362-A364 PolarHBondContact O-N 3.5Å; Q362-I365 PolarHBondContact O-N 2.85Å; Q362-L366 WeakPolarHBondContact O-CG 3.49Å; Q362-L366 PolarHBondContact O-N 3.41Å; Q362-F385 HydrophobicContact CG-CZ 3.77Å |
| 363 | S | 96.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 112 | Q359 E360 L366 T367 | Q359-S363 WeakPolarHBondContact O-CB 3.25Å; Q359-S363 PolarHBondContact O-N 3.04Å; Q359-S363 PolarHBondContact O-OG 2.71Å; E360-S363 PolarHBondContact O-N 2.74Å; E360-S363 VanDerWaalsContact O-N 3.17Å; S363-L366 PolarHBondContact O-N 2.92Å; S363-T367 PolarHBondContact O-N 2.9Å; S363-T367 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-OG1 3.34Å |
| 364 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L310 F328 F331 F355 E360 Q362 L368 | L310-A364 HydrophobicContact CD1-CB 4.02Å; F328-A364 HydrophobicContact CD1-CB 4.11Å; F328-A364 HydrophobicContact CE1-CB 4.3Å; F331-A364 HydrophobicContact CB-CB 3.79Å; F331-A364 HydrophobicContact CD2-CB 4.27Å; F331-A364 HydrophobicContact CG-CB 3.97Å; F355-A364 HydrophobicContact CE2-CB 3.6Å; F355-A364 HydrophobicContact CZ-CB 3.73Å; E360-A364 WeakPolarHBondContact O-CB 3.41Å; E360-A364 PolarHBondContact O-N 3.11Å; Q362-A364 VanDerWaalsContact C-N 3.34Å; Q362-A364 PolarHBondContact O-N 3.5Å; A364-L368 VanDerWaalsContact O-CB 3.27Å; A364-L368 WeakPolarHBondContact O-CB 3.41Å; A364-L368 PolarHBondContact O-N 2.63Å |
| 365 | I | 96.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 59 Ų | 59 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.4 | -52.7 | 173.9 | -68.2 | 163 | 0 | 0 | 0 | 110.3 | L310 A361 Q362 T367 H369 V383 F385 | L310-I365 HydrophobicContact CD1-CG1 4.22Å; L310-I365 HydrophobicContact CD2-CD1 3.55Å; L310-I365 HydrophobicContact CD2-CG1 3.7Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 3.39Å; A361-I365 VanDerWaalsContact O-N 3.11Å; Q362-I365 PolarHBondContact O-N 2.85Å; I365-T367 VanDerWaalsContact C-N 3.25Å; I365-T367 PolarHBondContact O-N 3.36Å; I365-H369 HydrophobicContact CG2-CB 4.45Å; I365-H369 WeakPolarHBondContact O-CB 3.39Å; I365-H369 PolarHBondContact O-N 3.01Å; I365-V383 HydrophobicContact CG1-CG1 4.01Å; I365-F385 HydrophobicContact CD1-CD1 3.9Å; I365-F385 HydrophobicContact CD1-CD2 3.75Å; I365-F385 HydrophobicContact CD1-CE1 3.67Å; I365-F385 HydrophobicContact CD1-CE2 3.52Å; I365-F385 HydrophobicContact CD1-CG 3.94Å; I365-F385 HydrophobicContact CD1-CZ 3.48Å; I365-F385 VanDerWaalsContact CD1-CZ 3.48Å |
| 366 | L | 96.2 | Very high | 94.1 | Very high | 147 Ų | 147 | 62.8 Ų | 62.8 | 77% | 0.77 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.3 | -32.5 | -173.4 | -71 | 169.8 | 0 | 0 | 0 | 113.1 | Q362 S363 | Q362-L366 WeakPolarHBondContact O-CG 3.49Å; Q362-L366 PolarHBondContact O-N 3.41Å; S363-L366 PolarHBondContact O-N 2.92Å |
| 367 | T | 96 | Very high | 93.8 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -96.6 | -34.6 | -175.5 | -42 | 0 | 0 | 0 | 0 | 113.4 | F331 S363 I365 S371 | F331-T367 HydrophobicContact CE1-CG2 3.64Å; F331-T367 HydrophobicContact CZ-CG2 3.82Å; S363-T367 PolarHBondContact O-N 2.9Å; S363-T367 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-OG1 3.34Å; I365-T367 VanDerWaalsContact C-N 3.25Å; I365-T367 PolarHBondContact O-N 3.36Å; T367-S371 VanDerWaalsContact O-CB 3.22Å; T367-S371 WeakPolarHBondContact O-CB 3.08Å; T367-S371 PolarHBondContact O-OG 2.7Å |
| 368 | L | 95.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -91.9 | -28.1 | -178.3 | -65.3 | 176.5 | 0 | 0 | 0 | 113.3 | L327 F328 F331 A364 G370 S371 I381 V383 | L327-L368 HydrophobicContact CD1-CD2 3.96Å; L327-L368 HydrophobicContact CG-CD1 4.32Å; L327-L368 HydrophobicContact CG-CD2 4.31Å; F328-L368 HydrophobicContact CD1-CD1 3.87Å; F328-L368 HydrophobicContact CD2-CD1 3.81Å; F328-L368 HydrophobicContact CE1-CD1 3.68Å; F328-L368 HydrophobicContact CE2-CD1 3.62Å; F328-L368 HydrophobicContact CG-CD1 3.94Å; F328-L368 HydrophobicContact CZ-CD1 3.55Å; F331-L368 HydrophobicContact CD2-CD1 4.01Å; F331-L368 HydrophobicContact CD2-CG 4.33Å; F331-L368 HydrophobicContact CE2-CD1 3.66Å; F331-L368 HydrophobicContact CE2-CD2 3.8Å; F331-L368 HydrophobicContact CE2-CG 3.61Å; F331-L368 HydrophobicContact CZ-CD1 4.48Å; F331-L368 HydrophobicContact CZ-CD2 4.04Å; F331-L368 HydrophobicContact CZ-CG 3.96Å; A364-L368 VanDerWaalsContact O-CB 3.27Å; A364-L368 WeakPolarHBondContact O-CB 3.41Å; A364-L368 PolarHBondContact O-N 2.63Å; L368-G370 PolarHBondContact O-N 3.1Å; L368-S371 WeakPolarHBondContact CA-OG 3.48Å; L368-S371 PolarHBondContact O-N 2.71Å; L368-S371 PolarHBondContact O-OG 3.44Å; L368-I381 WeakPolarHBondContact O-CG2 3.33Å; L368-V383 HydrophobicContact CB-CB 4.42Å; L368-V383 HydrophobicContact CB-CG2 3.63Å |
| 369 | H | 95.9 | Very high | 93.7 | Very high | 101 Ų | 101 | 64 Ų | 64 | 47% | 0.468 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 113 | -177.8 | -173 | 105 | 0 | 0 | 0 | 111.5 | I365 S371 V383 | I365-H369 HydrophobicContact CG2-CB 4.45Å; I365-H369 WeakPolarHBondContact O-CB 3.39Å; I365-H369 PolarHBondContact O-N 3.01Å; H369-S371 VanDerWaalsContact C-N 3.27Å; H369-S371 PolarHBondContact O-N 3.09Å; H369-V383 HydrophobicContact CB-CB 4.39Å; H369-V383 PolarHBondContact ND1-O 2.83Å |
| 370 | G | 94.9 | Very high | 93.7 | Very high | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -6.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L368 S380 I381 | L368-G370 PolarHBondContact O-N 3.1Å; G370-S380 WeakPolarHBondContact O-CB 3.44Å; G370-I381 PolarHBondContact N-O 2.75Å |
| 371 | S | 93.5 | Very high | 93.7 | Very high | 77 Ų | 77 | 57.4 Ų | 57.4 | 54% | 0.538 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -40.5 | -170.5 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | T367 L368 H369 | T367-S371 VanDerWaalsContact O-CB 3.22Å; T367-S371 WeakPolarHBondContact O-CB 3.08Å; T367-S371 PolarHBondContact O-OG 2.7Å; L368-S371 WeakPolarHBondContact CA-OG 3.48Å; L368-S371 PolarHBondContact O-N 2.71Å; L368-S371 PolarHBondContact O-OG 3.44Å; H369-S371 VanDerWaalsContact C-N 3.27Å; H369-S371 PolarHBondContact O-N 3.09Å |
| 372 | Q | 90.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | | | trans | -126.9 | 145.6 | -179.8 | 65.8 | -174.4 | 58.4 | 0 | 0 | 113.6 | M374 S380 I381 | Q372-M374 HydrophobicContact CG-SD 4.27Å; Q372-M374 PolarHBondContact NE2-SD 2.68Å; Q372-S380 CarbonylContact O-C 3.56Å; Q372-S380 VanDerWaalsContact O-CA 3.27Å; Q372-S380 WeakPolarHBondContact O-CA 3.43Å; Q372-I381 HydrophobicContact CG-CG2 4Å; Q372-I381 WeakPolarHBondContact O-CG2 3.34Å; Q372-I381 PolarHBondContact O-N 2.96Å |
| 373 | T | 92.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 118.7 | 169 | -64.4 | 0 | 0 | 0 | 0 | 108.8 | A377 S380 | T373-A377 HydrophobicContact CG2-CB 4.36Å; T373-S380 WeakPolarHBondContact OG1-CA 3.34Å; T373-S380 PolarHBondContact OG1-N 3.47Å |
| 374 | M | 87.8 | Confident | 93.7 | Very high | 20 Ų | 20 | 57 Ų | 57 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -68 | 147.8 | -179.8 | -58.1 | -55.3 | -78.4 | 0 | 0 | 111.3 | L327 Q372 G376 A377 | L327-M374 HydrophobicContact CD2-CE 4.24Å; L327-M374 HydrophobicContact CD2-SD 4.27Å; Q372-M374 HydrophobicContact CG-SD 4.27Å; Q372-M374 PolarHBondContact NE2-SD 2.68Å; M374-G376 PolarHBondContact O-N 2.61Å; M374-A377 HydrophobicContact CB-CB 4.06Å; M374-A377 VanDerWaalsContact O-CB 3.27Å; M374-A377 WeakPolarHBondContact O-CB 3.46Å; M374-A377 PolarHBondContact O-N 3.19Å |
| 375 | P | 88.8 | Confident | 93.6 | Very high | 108 Ų | 108 | 61 Ų | 61 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 122.4 | 174.1 | -26.7 | 35.6 | 0 | 0 | 0 | 112 | S316 A377 | S316-P375 WeakPolarHBondContact CB-O 3.35Å; S316-P375 PolarHBondContact OG-O 3.47Å; P375-A377 VanDerWaalsContact C-N 3.33Å |
| 376 | G | 87.8 | Confident | 93.5 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 83% | 0.825 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -3.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | M374 | M374-G376 PolarHBondContact O-N 2.61Š|
| 377 | A | 89.2 | Confident | 93 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | | | trans | -80.7 | 146.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M314 T373 M374 P375 | M314-A377 WeakPolarHBondContact O-CB 3.46Å; T373-A377 HydrophobicContact CG2-CB 4.36Å; M374-A377 HydrophobicContact CB-CB 4.06Å; M374-A377 VanDerWaalsContact O-CB 3.27Å; M374-A377 WeakPolarHBondContact O-CB 3.46Å; M374-A377 PolarHBondContact O-N 3.19Å; P375-A377 VanDerWaalsContact C-N 3.33Å |
| 378 | S | 90.1 | Very high | 91.9 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 79% | 0.79 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -89.3 | -0.9 | -179.3 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 379 | S | 94.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -161 | 165.3 | -176.6 | -72.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 380 | S | 95.4 | Very high | 89.1 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | | | trans | -57.2 | 149.7 | 171.6 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | M314 G370 Q372 T373 V382 | M314-S380 WeakPolarHBondContact CB-O 3.14Å; G370-S380 WeakPolarHBondContact O-CB 3.44Å; Q372-S380 CarbonylContact O-C 3.56Å; Q372-S380 VanDerWaalsContact O-CA 3.27Å; Q372-S380 WeakPolarHBondContact O-CA 3.43Å; T373-S380 WeakPolarHBondContact OG1-CA 3.34Å; T373-S380 PolarHBondContact OG1-N 3.47Å; S380-V382 PolarHBondContact O-N 2.88Å |
| 381 | I | 96.1 | Very high | 88 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | | | trans | -57.9 | 135 | 176.6 | -167 | 177.9 | 0 | 0 | 0 | 110.6 | V312 L315 L327 F328 L368 G370 Q372 V383 | V312-I381 HydrophobicContact CG1-CD1 3.74Å; V312-I381 HydrophobicContact CG1-CG1 3.89Å; L315-I381 HydrophobicContact CD2-CD1 3.72Å; L315-I381 HydrophobicContact CD2-CG1 4.16Å; L327-I381 HydrophobicContact CD2-CD1 3.73Å; F328-I381 HydrophobicContact CE2-CD1 4.26Å; L368-I381 WeakPolarHBondContact O-CG2 3.33Å; G370-I381 PolarHBondContact N-O 2.75Å; Q372-I381 HydrophobicContact CG-CG2 4Å; Q372-I381 WeakPolarHBondContact O-CG2 3.34Å; Q372-I381 PolarHBondContact O-N 2.96Å; I381-V383 HydrophobicContact CD1-CG2 4.24Å; I381-V383 HydrophobicContact CG1-CG2 4.11Å; I381-V383 HydrophobicContact CG2-CG2 4.47Å |
| 382 | V | 96.6 | Very high | 86.9 | Confident | 40 Ų | 40 | 64 Ų | 64 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 99.3 | -175.8 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | V312 G313 M314 S380 | V312-V382 CarbonylContact C-O 3.52Å; V312-V382 WeakPolarHBondContact CA-O 3.22Å; G313-V382 PolarHBondContact N-O 3.02Å; G313-V382 PolarHBondContact O-N 3.44Å; M314-V382 HydrophobicContact CB-CG2 4.49Å; M314-V382 HydrophobicContact CG-CG2 3.74Å; S380-V382 PolarHBondContact O-N 2.88Å |
| 383 | V | 96.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.3 | 179.2 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | L310 V312 F328 I365 L368 H369 I381 | L310-V383 HydrophobicContact CD1-CG1 3.82Å; V312-V383 HydrophobicContact CG1-CG2 4.42Å; F328-V383 HydrophobicContact CE1-CG1 3.73Å; F328-V383 HydrophobicContact CE1-CG2 4.32Å; F328-V383 HydrophobicContact CZ-CG1 3.94Å; F328-V383 HydrophobicContact CZ-CG2 3.71Å; I365-V383 HydrophobicContact CG1-CG1 4.01Å; L368-V383 HydrophobicContact CB-CB 4.42Å; L368-V383 HydrophobicContact CB-CG2 3.63Å; H369-V383 HydrophobicContact CB-CB 4.39Å; H369-V383 PolarHBondContact ND1-O 2.83Å; I381-V383 HydrophobicContact CD1-CG2 4.24Å; I381-V383 HydrophobicContact CG1-CG2 4.11Å; I381-V383 HydrophobicContact CG2-CG2 4.47Å |
| 384 | K | 95.6 | Very high | 85.2 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 165.7 | -179.8 | 51.2 | 168.6 | -177.8 | 153.2 | 0 | 110 | L310 F311 | L310-K384 CarbonylContact C-O 3.55Å; L310-K384 VanDerWaalsContact CA-O 3.22Å; L310-K384 WeakPolarHBondContact CA-O 3.21Å; F311-K384 HydrophobicContact CB-CG 4.33Å; F311-K384 HydrophobicContact CD1-CD 4.48Å; F311-K384 VanDerWaalsContact CD1-CE 3.47Å; F311-K384 HydrophobicContact CD1-CG 4.17Å; F311-K384 PolarHBondContact N-O 2.86Å; F311-K384 PolarHBondContact O-N 2.83Å |
| 385 | F | 95.5 | Very high | 84.6 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 145.1 | 169 | -63.4 | -66.9 | 0 | 0 | 0 | 111.3 | E307 L310 A361 Q362 I365 | E307-F385 WeakPolarHBondContact O-CE1 3.48Å; L310-F385 HydrophobicContact CD2-CD1 3.82Å; L310-F385 HydrophobicContact CD2-CE1 4.12Å; A361-F385 HydrophobicContact CB-CE1 4.45Å; Q362-F385 HydrophobicContact CG-CZ 3.77Å; I365-F385 HydrophobicContact CD1-CD1 3.9Å; I365-F385 HydrophobicContact CD1-CD2 3.75Å; I365-F385 HydrophobicContact CD1-CE1 3.67Å; I365-F385 HydrophobicContact CD1-CE2 3.52Å; I365-F385 HydrophobicContact CD1-CG 3.94Å; I365-F385 HydrophobicContact CD1-CZ 3.48Å; I365-F385 VanDerWaalsContact CD1-CZ 3.48Å |
| 386 | A | 93.7 | Very high | 84 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 12% | 0.116 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 133.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K309 F311 F352 S388 | K309-A386 HydrophobicContact CB-CB 4.12Å; K309-A386 HydrophobicContact CG-CB 4.08Å; K309-A386 VanDerWaalsContact O-CB 3.31Å; K309-A386 WeakPolarHBondContact O-CB 3.34Å; K309-A386 PolarHBondContact O-N 2.91Å; F311-A386 HydrophobicContact CB-CB 4.46Å; F352-A386 HydrophobicContact CD1-CB 3.82Å; F352-A386 HydrophobicContact CE1-CB 3.66Å; A386-S388 PolarHBondContact O-N 2.77Å |
| 387 | D | 86.4 | Confident | 83.3 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 121.4 | 169.3 | -59 | 24.6 | 0 | 0 | 0 | 110.9 | E389 R395 | D387-E389 PolarHBondContact O-N 2.94Å; D387-R395 VanDerWaalsContact CG-NH2 3.26Å; D387-R395 IonicContact OD2-CZ 3.34Å; D387-R395 IonicContact OD2-NE 3.47Å; D387-R395 PolarHBondContact OD2-NE 3.35Å; D387-R395 IonicContact OD2-NH2 3.45Å; D387-R395 PolarHBondContact OD2-NH2 2.8Å |
| 388 | S | 74 | Confident | 82.5 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 135.2 | 171.8 | -55 | 0 | 0 | 0 | 0 | 110.5 | E306 A386 K390 E391 R392 | E306-S388 WeakPolarHBondContact OE2-CB 3.46Å; E306-S388 PolarHBondContact OE2-OG 2.82Å; A386-S388 PolarHBondContact O-N 2.77Å; S388-K390 PolarHBondContact O-N 3.18Å; S388-E391 WeakPolarHBondContact O-CA 3.48Å; S388-E391 WeakPolarHBondContact O-CB 3.45Å; S388-E391 PolarHBondContact O-N 3.06Å; S388-R392 PolarHBondContact O-N 2.88Å |
| 389 | E | 70.6 | Confident | 81.5 | Confident | 91 Ų | 91 | 75 Ų | 75 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -25.3 | -178.1 | -174.1 | 65.1 | -128 | 0 | 0 | 111.9 | D387 R392 H393 K396 | D387-E389 PolarHBondContact O-N 2.94Å; E389-R392 PolarHBondContact O-N 2.79Å; E389-R392 IonicContact OE1-NH1 2.74Å; E389-R392 WeakPolarHBondContact OE2-CD 3.5Å; E389-R392 IonicContact OE2-CZ 2.99Å; E389-R392 IonicContact OE2-NE 3.68Å; E389-R392 IonicContact OE2-NH1 2.7Å; E389-R392 PolarHBondContact OE2-NH1 3.22Å; E389-H393 VanDerWaalsContact O-CB 3.27Å; E389-H393 WeakPolarHBondContact O-CB 3.42Å; E389-H393 PolarHBondContact O-N 3.02Å; E389-K396 IonicContact OE1-NZ 2.82Å; E389-K396 PolarHBondContact OE1-NZ 3.28Å |
| 390 | K | 62.1 | Low | 80.1 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 168.5 | -58.9 | 173.4 | -169.7 | 116.5 | 0 | 112.2 | E306 S388 H393 T394 | E306-K390 IonicContact OE1-NZ 3.47Å; E306-K390 PolarHBondContact OE1-NZ 3.1Å; E306-K390 IonicContact OE2-NZ 2.68Å; S388-K390 PolarHBondContact O-N 3.18Å; K390-H393 PolarHBondContact O-N 3.19Å; K390-T394 WeakPolarHBondContact O-CB 3.45Å; K390-T394 PolarHBondContact O-N 2.75Å; K390-T394 PolarHBondContact O-OG1 3.49Å |
| 391 | E | 70.7 | Confident | 78.5 | Confident | 94 Ų | 94 | 81.7 Ų | 81.7 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.5 | -153.7 | -163.1 | 177.5 | 0 | 0 | 110.5 | S388 H393 T394 R395 | S388-E391 WeakPolarHBondContact O-CA 3.48Å; S388-E391 WeakPolarHBondContact O-CB 3.45Å; S388-E391 PolarHBondContact O-N 3.06Å; E391-H393 VanDerWaalsContact C-N 3.31Å; E391-H393 PolarHBondContact O-N 2.78Å; E391-T394 CarbonylContact O-C 3.52Å; E391-T394 WeakPolarHBondContact O-CB 3.28Å; E391-T394 PolarHBondContact O-N 3.13Å; E391-T394 VanDerWaalsContact O-N 3.11Å; E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 PolarHBondContact O-N 2.79Å; E391-R395 IonicContact OE1-CZ 3.5Å; E391-R395 IonicContact OE1-NH1 3.44Å; E391-R395 PolarHBondContact OE1-NH1 3.28Å; E391-R395 IonicContact OE1-NH2 2.71Å; E391-R395 PolarHBondContact OE1-NH2 3.15Å; E391-R395 IonicContact OE2-CZ 3.68Å; E391-R395 IonicContact OE2-NH1 2.7Å; E391-R395 PolarHBondContact OE2-NH1 3.35Å; E391-R395 IonicContact OE2-NH2 3.47Å; E391-R395 PolarHBondContact OE2-NH2 3.21Å |
| 392 | R | 71 | Confident | 76.9 | Confident | 113 Ų | 113 | 84 Ų | 84 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 173.2 | -168.2 | 177.6 | 174.5 | -142.6 | 11.5 | 112.2 | S388 E389 K396 | S388-R392 PolarHBondContact O-N 2.88Å; E389-R392 PolarHBondContact O-N 2.79Å; E389-R392 IonicContact OE1-NH1 2.74Å; E389-R392 WeakPolarHBondContact OE2-CD 3.5Å; E389-R392 IonicContact OE2-CZ 2.99Å; E389-R392 IonicContact OE2-NE 3.68Å; E389-R392 IonicContact OE2-NH1 2.7Å; E389-R392 PolarHBondContact OE2-NH1 3.22Å; R392-K396 VanDerWaalsContact O-CG 3.28Å; R392-K396 WeakPolarHBondContact O-CG 3.35Å; R392-K396 PolarHBondContact O-N 3Å; R392-K396 VanDerWaalsContact O-N 3.1Å |
| 393 | H | 73.3 | Confident | 75.1 | Confident | 107 Ų | 107 | 87.5 Ų | 87.5 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 173 | -162.6 | -74.6 | 0 | 0 | 0 | 112 | E389 K390 E391 K396 I397 | E389-H393 VanDerWaalsContact O-CB 3.27Å; E389-H393 WeakPolarHBondContact O-CB 3.42Å; E389-H393 PolarHBondContact O-N 3.02Å; K390-H393 PolarHBondContact O-N 3.19Å; E391-H393 VanDerWaalsContact C-N 3.31Å; E391-H393 PolarHBondContact O-N 2.78Å; H393-K396 WeakPolarHBondContact O-CB 3.5Å; H393-K396 PolarHBondContact O-N 3.48Å; H393-I397 PolarHBondContact O-N 2.73Å |
| 394 | T | 72.9 | Confident | 73 | Confident | 91 Ų | 91 | 94.2 Ų | 94.2 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | K390 E391 I397 Q398 | K390-T394 WeakPolarHBondContact O-CB 3.45Å; K390-T394 PolarHBondContact O-N 2.75Å; K390-T394 PolarHBondContact O-OG1 3.49Å; E391-T394 CarbonylContact O-C 3.52Å; E391-T394 WeakPolarHBondContact O-CB 3.28Å; E391-T394 PolarHBondContact O-N 3.13Å; E391-T394 VanDerWaalsContact O-N 3.11Å; T394-I397 PolarHBondContact O-N 3.47Å; T394-Q398 WeakPolarHBondContact O-CB 3.47Å; T394-Q398 PolarHBondContact O-N 2.81Å |
| 395 | R | 75.1 | Confident | 71 | Confident | 96 Ų | 96 | 93.9 Ų | 93.9 | 36% | 0.362 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 171.4 | -71.6 | -164.4 | -113.7 | -71.2 | 3.7 | 112.3 | D387 E391 Q398 Q399 | D387-R395 VanDerWaalsContact CG-NH2 3.26Å; D387-R395 IonicContact OD2-CZ 3.34Å; D387-R395 IonicContact OD2-NE 3.47Å; D387-R395 PolarHBondContact OD2-NE 3.35Å; D387-R395 IonicContact OD2-NH2 3.45Å; D387-R395 PolarHBondContact OD2-NH2 2.8Å; E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 PolarHBondContact O-N 2.79Å; E391-R395 IonicContact OE1-CZ 3.5Å; E391-R395 IonicContact OE1-NH1 3.44Å; E391-R395 PolarHBondContact OE1-NH1 3.28Å; E391-R395 IonicContact OE1-NH2 2.71Å; E391-R395 PolarHBondContact OE1-NH2 3.15Å; E391-R395 IonicContact OE2-CZ 3.68Å; E391-R395 IonicContact OE2-NH1 2.7Å; E391-R395 PolarHBondContact OE2-NH1 3.35Å; E391-R395 IonicContact OE2-NH2 3.47Å; E391-R395 PolarHBondContact OE2-NH2 3.21Å; R395-Q398 PolarHBondContact O-N 2.9Å; R395-Q399 WeakPolarHBondContact O-CB 3.14Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 2.82Å |
| 396 | K | 77 | Confident | 69 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 175.2 | -69 | 163.2 | -169 | 160.3 | 0 | 111.6 | E389 R392 H393 Q399 L400 | E389-K396 IonicContact OE1-NZ 2.82Å; E389-K396 PolarHBondContact OE1-NZ 3.28Å; R392-K396 VanDerWaalsContact O-CG 3.28Å; R392-K396 WeakPolarHBondContact O-CG 3.35Å; R392-K396 PolarHBondContact O-N 3Å; R392-K396 VanDerWaalsContact O-N 3.1Å; H393-K396 WeakPolarHBondContact O-CB 3.5Å; H393-K396 PolarHBondContact O-N 3.48Å; K396-Q399 PolarHBondContact O-N 3.47Å; K396-L400 WeakPolarHBondContact O-CG 3.35Å; K396-L400 PolarHBondContact O-N 3.43Å |
| 397 | I | 74.1 | Confident | 66.9 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 41% | 0.41 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.7 | -69.6 | 174.2 | 0 | 0 | 0 | 110.9 | H393 T394 Q399 L400 I401 | H393-I397 PolarHBondContact O-N 2.73Å; T394-I397 PolarHBondContact O-N 3.47Å; I397-Q399 VanDerWaalsContact C-N 3.27Å; I397-Q399 PolarHBondContact O-N 3.47Å; I397-L400 WeakPolarHBondContact O-CB 3.5Å; I397-L400 PolarHBondContact O-N 2.8Å; I397-I401 HydrophobicContact CG2-CD1 3.67Å; I397-I401 HydrophobicContact CG2-CG1 4.37Å; I397-I401 PolarHBondContact O-N 3.49Å |
| 398 | Q | 71.9 | Confident | 64.9 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64 | -32.9 | -177.2 | -173.8 | 58.7 | 87.1 | 0 | 0 | 112.4 | T394 R395 I401 G402 | T394-Q398 WeakPolarHBondContact O-CB 3.47Å; T394-Q398 PolarHBondContact O-N 2.81Å; R395-Q398 PolarHBondContact O-N 2.9Å; Q398-I401 PolarHBondContact O-N 2.88Å; Q398-G402 PolarHBondContact O-N 2.97Å |
| 399 | Q | 69.1 | Low | 63.8 | Low | 150 Ų | 150 | 107.9 Ų | 107.9 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.5 | -33 | 172.7 | -74.1 | 174.1 | -16.8 | 0 | 0 | 112.8 | R395 K396 I397 | R395-Q399 WeakPolarHBondContact O-CB 3.14Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 2.82Å; K396-Q399 PolarHBondContact O-N 3.47Å; I397-Q399 VanDerWaalsContact C-N 3.27Å; I397-Q399 PolarHBondContact O-N 3.47Å |
| 400 | L | 63.9 | Low | 63 | Low | 141 Ų | 141 | 109 Ų | 109 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74 | -28.8 | 174.1 | -70.7 | 166.3 | 0 | 0 | 0 | 113.1 | K396 I397 P403 | K396-L400 WeakPolarHBondContact O-CG 3.35Å; K396-L400 PolarHBondContact O-N 3.43Å; I397-L400 WeakPolarHBondContact O-CB 3.5Å; I397-L400 PolarHBondContact O-N 2.8Å; L400-P403 WeakPolarHBondContact O-CD 3.35Å |
| 401 | I | 62.4 | Low | 62.6 | Low | 99 Ų | 99 | 109.7 Ų | 109.7 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -85.3 | -19.6 | 175 | -63.6 | 174.8 | 0 | 0 | 0 | 111.8 | I397 Q398 P403 M404 | I397-I401 HydrophobicContact CG2-CD1 3.67Å; I397-I401 HydrophobicContact CG2-CG1 4.37Å; I397-I401 PolarHBondContact O-N 3.49Å; Q398-I401 PolarHBondContact O-N 2.88Å; I401-P403 WeakPolarHBondContact O-CD 3.48Å; I401-P403 VanDerWaalsContact O-N 3.15Å; I401-M404 PolarHBondContact O-N 3.32Å; I401-M404 VanDerWaalsContact O-N 3.12Å |
| 402 | G | 63.1 | Low | 61.4 | Low | 50 Ų | 50 | 108.5 Ų | 108.5 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.6 | -31.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | Q398 M404 | Q398-G402 PolarHBondContact O-N 2.97Å; G402-M404 VanDerWaalsContact C-N 3.27Å; G402-M404 PolarHBondContact O-N 3.47Å |
| 403 | P | 57.6 | Low | 60.5 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -6.1 | 178.7 | 29.6 | -34.8 | 0 | 0 | 0 | 114.6 | L400 I401 G405 | L400-P403 WeakPolarHBondContact O-CD 3.35Å; I401-P403 WeakPolarHBondContact O-CD 3.48Å; I401-P403 VanDerWaalsContact O-N 3.15Å; P403-G405 PolarHBondContact O-N 2.78Å |
| 404 | M | 53.5 | Low | 59.4 | Low | 141 Ų | 141 | 110.3 Ų | 110.3 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | | | trans | -93.2 | 85.1 | 170.8 | -78.2 | -66.7 | -67.2 | 0 | 0 | 110.2 | I401 G402 L406 | I401-M404 PolarHBondContact O-N 3.32Å; I401-M404 VanDerWaalsContact O-N 3.12Å; G402-M404 VanDerWaalsContact C-N 3.27Å; G402-M404 PolarHBondContact O-N 3.47Å; M404-L406 PolarHBondContact O-N 2.8Å |
| 405 | G | 52.7 | Low | 58 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | | | trans | -70.6 | 64.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P403 | P403-G405 PolarHBondContact O-N 2.78Š|
| 406 | L | 53.2 | Low | 56.5 | Low | 117 Ų | 117 | 117.3 Ų | 117.3 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | | | trans | -136.2 | 123.6 | -176.1 | -147.4 | 70.4 | 0 | 0 | 0 | 112.2 | M404 | M404-L406 PolarHBondContact O-N 2.8Š|
| 407 | F | 51 | Low | 54.9 | Low | 174 Ų | 174 | 120.1 Ų | 120.1 | 76% | 0.763 | 68% | 0.682 | S | S | * | * | | | trans | 79.1 | 119.1 | 173.9 | -52 | -63.2 | 0 | 0 | 0 | 119.2 | | |
| 408 | S | 43.1 | Very low | 53.3 | Low | 83 Ų | 83 | 119.6 Ų | 119.6 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | | | trans | -64.5 | 147.7 | 168.1 | -43.7 | 0 | 0 | 0 | 0 | 112.1 | T410 | S408-T410 PolarHBondContact O-N 3.34Š|
| 409 | P | 52.3 | Low | 52.4 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -12.2 | -174.4 | 25.9 | -35.7 | 0 | 0 | 0 | 115.1 | | |
| 410 | T | 52 | Low | 51 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -24 | -174.7 | -53.1 | 0 | 0 | 0 | 0 | 114.7 | S408 | S408-T410 PolarHBondContact O-N 3.34Š|
| 411 | I | 54 | Low | 50.1 | Low | 135 Ų | 135 | 121.3 Ų | 121.3 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -27.7 | -168.1 | -62 | -179.3 | 0 | 0 | 0 | 113.2 | L413 | I411-L413 PolarHBondContact O-N 2.75Š|
| 412 | A | 47.2 | Very low | 49.6 | Very low | 70 Ų | 70 | 120.1 Ų | 120.1 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -23.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 413 | L | 51 | Low | 49.1 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 0.7 | -166.6 | -140.6 | 74 | 0 | 0 | 0 | 115.3 | I411 | I411-L413 PolarHBondContact O-N 2.75Š|
| 414 | S | 50.7 | Low | 48.8 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -105.5 | -6 | -171.6 | -54.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 415 | Q | 43.8 | Very low | 48.9 | Very low | 184 Ų | 184 | 122.2 Ų | 122.2 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -128.6 | -5.1 | -174 | -69.9 | -163 | -37.9 | 0 | 0 | 116.4 | | |
| 416 | L | 43 | Very low | 48.8 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -107.2 | 110.1 | 178 | -65.8 | 179.1 | 0 | 0 | 0 | 111.6 | | |
| 417 | N | 42.9 | Very low | 48.7 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | | | trans | -56.8 | 136.7 | 174 | -89.7 | -28.1 | 0 | 0 | 0 | 111.2 | N419 | N417-N419 PolarHBondContact O-N 3.11Š|
| 418 | G | 41.5 | Very low | 48.4 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 11.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 419 | N | 51.6 | Low | 48.8 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -13 | -179.6 | -66.3 | 10.9 | 0 | 0 | 0 | 113.3 | N417 | N417-N419 PolarHBondContact O-N 3.11Š|
| 420 | M | 41.1 | Very low | 48.6 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -86.2 | -23.4 | -177.2 | -67.5 | -90.6 | 61.2 | 0 | 0 | 114 | S422 Q423 | M420-S422 VanDerWaalsContact C-N 3.3Å; M420-S422 PolarHBondContact O-N 3.39Å; M420-Q423 HydrophobicContact CE-CB 4.18Å; M420-Q423 HydrophobicContact CE-CG 4.19Å; M420-Q423 PolarHBondContact O-N 2.96Å |
| 421 | Y | 45.2 | Very low | 48.4 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67.2 | -28.2 | -176.9 | -133.7 | -88.2 | 0 | 0 | 0 | 113.4 | M424 I425 | Y421-M424 WeakPolarHBondContact O-CG 3.5Å; Y421-I425 HydrophobicContact CD1-CD1 4.14Å; Y421-I425 WeakPolarHBondContact O-CD1 3.49Å; Y421-I425 WeakPolarHBondContact O-CG1 3.42Å |
| 422 | S | 51.5 | Low | 47.9 | Very low | 74 Ų | 74 | 118.8 Ų | 118.8 | 52% | 0.517 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -72.9 | -45.3 | 176.7 | 162.3 | 0 | 0 | 0 | 0 | 112.2 | M420 M424 I425 E426 | M420-S422 VanDerWaalsContact C-N 3.3Å; M420-S422 PolarHBondContact O-N 3.39Å; S422-M424 VanDerWaalsContact C-N 3.32Å; S422-M424 PolarHBondContact O-N 3.4Å; S422-I425 PolarHBondContact O-N 3.5Å; S422-I425 VanDerWaalsContact O-N 3.14Å; S422-E426 PolarHBondContact O-N 3.4Å; S422-E426 VanDerWaalsContact O-N 3.12Å |
| 423 | Q | 52.5 | Low | 47.6 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.5 | -35.1 | -175.7 | -73.4 | -76.9 | -26.6 | 0 | 0 | 113.1 | M420 N427 | M420-Q423 HydrophobicContact CE-CB 4.18Å; M420-Q423 HydrophobicContact CE-CG 4.19Å; M420-Q423 PolarHBondContact O-N 2.96Å; Q423-N427 PolarHBondContact O-N 2.95Å |
| 424 | M | 51.5 | Low | 47.2 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 58% | 0.581 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.7 | -24.2 | 177.9 | 68.2 | -178.7 | -67.6 | 0 | 0 | 113.9 | Y421 S422 M428 | Y421-M424 WeakPolarHBondContact O-CG 3.5Å; S422-M424 VanDerWaalsContact C-N 3.32Å; S422-M424 PolarHBondContact O-N 3.4Å; M424-M428 PolarHBondContact O-N 2.82Å |
| 425 | I | 56.1 | Low | 47 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 55% | 0.554 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.1 | -42.4 | 176.1 | -66.3 | 172.8 | 0 | 0 | 0 | 109.8 | Y421 S422 N427 M428 A429 | Y421-I425 HydrophobicContact CD1-CD1 4.14Å; Y421-I425 WeakPolarHBondContact O-CD1 3.49Å; Y421-I425 WeakPolarHBondContact O-CG1 3.42Å; S422-I425 PolarHBondContact O-N 3.5Å; S422-I425 VanDerWaalsContact O-N 3.14Å; I425-N427 VanDerWaalsContact C-N 3.33Å; I425-N427 PolarHBondContact O-N 3.21Å; I425-M428 PolarHBondContact O-N 2.82Å; I425-A429 PolarHBondContact O-N 3.05Å; I425-A429 VanDerWaalsContact O-N 3.12Å |
| 426 | E | 50.2 | Low | 47.3 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 53% | 0.528 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.1 | -43.7 | 176.3 | -157.7 | 77 | -144.3 | 0 | 0 | 112 | S422 A429 | S422-E426 PolarHBondContact O-N 3.4Å; S422-E426 VanDerWaalsContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.47Å |
| 427 | N | 49.9 | Very low | 47.9 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.9 | -26.2 | -179.1 | -117 | -106.9 | 0 | 0 | 0 | 113.9 | Q423 I425 | Q423-N427 PolarHBondContact O-N 2.95Å; I425-N427 VanDerWaalsContact C-N 3.33Å; I425-N427 PolarHBondContact O-N 3.21Å |
| 428 | M | 46.3 | Very low | 48.7 | Very low | 142 Ų | 142 | 114.9 Ų | 114.9 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.1 | -22 | 175.1 | -167.3 | 165.9 | -74.2 | 0 | 0 | 112.4 | M424 I425 Q430 | M424-M428 PolarHBondContact O-N 2.82Å; I425-M428 PolarHBondContact O-N 2.82Å; M428-Q430 VanDerWaalsContact C-N 3.33Å; M428-Q430 PolarHBondContact O-N 3.28Å |
| 429 | A | 49.7 | Very low | 49.7 | Very low | 83 Ų | 83 | 113.3 Ų | 113.3 | 69% | 0.686 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -17.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I425 E426 | I425-A429 PolarHBondContact O-N 3.05Å; I425-A429 VanDerWaalsContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.47Å |
| 430 | Q | 48.9 | Very low | 50 | Low | 154 Ų | 154 | 108.3 Ų | 108.3 | 72% | 0.72 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 2.5 | -175.1 | -63.5 | -174.8 | 14.4 | 0 | 0 | 114.1 | M428 | M428-Q430 VanDerWaalsContact C-N 3.33Å; M428-Q430 PolarHBondContact O-N 3.28Å |
| 431 | T | 47.9 | Very low | 51 | Low | 88 Ų | 88 | 107.5 Ų | 107.5 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -139 | 147.8 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 432 | T | 44.5 | Very low | 51.7 | Low | 55 Ų | 55 | 101.2 Ų | 101.2 | 34% | 0.337 | 57% | 0.569 | S | S | . | * | | | trans | 65.1 | 43.9 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 117.8 | Y434 I435 | T432-Y434 PolarHBondContact O-N 2.9Å; T432-I435 HydrophobicContact CG2-CD1 3.96Å; T432-I435 HydrophobicContact CG2-CG1 4.35Å |
| 433 | G | 39.7 | Very low | 52.3 | Low | 67 Ų | 67 | 102.3 Ų | 102.3 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 133.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 434 | Y | 42.3 | Very low | 52.6 | Low | 246 Ų | 246 | 103.2 Ų | 103.2 | 97% | 0.965 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.9 | 32.6 | 178.7 | -61.3 | -85 | 0 | 0 | 0 | 117.7 | T432 | T432-Y434 PolarHBondContact O-N 2.9Š|
| 435 | I | 47.4 | Very low | 53 | Low | 90 Ų | 90 | 103 Ų | 103 | 46% | 0.462 | 57% | 0.573 | S | S | . | * | | | trans | -125.9 | 133.9 | 168.1 | -33.1 | -173 | 0 | 0 | 0 | 112.5 | T432 A439 | T432-I435 HydrophobicContact CG2-CD1 3.96Å; T432-I435 HydrophobicContact CG2-CG1 4.35Å; I435-A439 HydrophobicContact CG2-CB 3.7Å |
| 436 | N | 49.1 | Very low | 53.1 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 57% | 0.572 | 57% | 0.574 | S | S | * | * | | | trans | -56.6 | 134.1 | 179.3 | -170.4 | -40.1 | 0 | 0 | 0 | 111.2 | V438 A439 A440 | N436-V438 PolarHBondContact O-N 3.05Å; N436-V438 PolarHBondContact OD1-N 2.79Å; N436-A439 WeakPolarHBondContact O-CB 3.44Å; N436-A439 PolarHBondContact O-N 3.28Å; N436-A440 PolarHBondContact O-N 3.47Å |
| 437 | P | 55.9 | Low | 53.4 | Low | 101 Ų | 101 | 105.2 Ų | 105.2 | 66% | 0.656 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -56.8 | -26.3 | -172.7 | 19.6 | -33.8 | 0 | 0 | 0 | 114.8 | A439 A440 L441 | P437-A439 VanDerWaalsContact C-N 3.31Å; P437-A439 PolarHBondContact O-N 2.97Å; P437-A440 PolarHBondContact O-N 3.46Å; P437-L441 PolarHBondContact O-N 3.15Å; P437-L441 VanDerWaalsContact O-N 3.15Å |
| 438 | V | 59.9 | Low | 53.3 | Low | 113 Ų | 113 | 103.4 Ų | 103.4 | 69% | 0.685 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.3 | -39.1 | 172.1 | 168.4 | 0 | 0 | 0 | 0 | 112.3 | N436 A442 | N436-V438 PolarHBondContact O-N 3.05Å; N436-V438 PolarHBondContact OD1-N 2.79Å; V438-A442 PolarHBondContact O-N 2.93Å; V438-A442 VanDerWaalsContact O-N 3.09Å |
| 439 | A | 61.5 | Low | 53.5 | Low | 38 Ų | 38 | 100.7 Ų | 100.7 | 31% | 0.314 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77.3 | -33.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I435 N436 P437 L441 A442 L443 | I435-A439 HydrophobicContact CG2-CB 3.7Å; N436-A439 WeakPolarHBondContact O-CB 3.44Å; N436-A439 PolarHBondContact O-N 3.28Å; P437-A439 VanDerWaalsContact C-N 3.31Å; P437-A439 PolarHBondContact O-N 2.97Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-A442 PolarHBondContact O-N 2.91Å; A439-L443 PolarHBondContact O-N 3.49Å; A439-L443 VanDerWaalsContact O-N 3.09Å |
| 440 | A | 58.7 | Low | 53.5 | Low | 35 Ų | 35 | 103.7 Ų | 103.7 | 29% | 0.289 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -42 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N436 P437 L443 Q444 | N436-A440 PolarHBondContact O-N 3.47Å; P437-A440 PolarHBondContact O-N 3.46Å; A440-L443 PolarHBondContact O-N 3.1Å; A440-Q444 PolarHBondContact O-N 3.05Å; A440-Q444 VanDerWaalsContact O-N 3.13Å |
| 441 | L | 62.5 | Low | 53.2 | Low | 112 Ų | 112 | 104.2 Ų | 104.2 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.5 | -36.6 | 175.7 | -174.1 | 60 | 0 | 0 | 0 | 112.7 | P437 A439 Q444 L445 | P437-L441 PolarHBondContact O-N 3.15Å; P437-L441 VanDerWaalsContact O-N 3.15Å; A439-L441 VanDerWaalsContact C-N 3.33Å; L441-Q444 PolarHBondContact O-N 3.22Å; L441-L445 HydrophobicContact CG-CD1 4.38Å; L441-L445 PolarHBondContact O-N 2.68Å; L441-L445 VanDerWaalsContact O-N 3.1Å |
| 442 | A | 60.8 | Low | 52.9 | Low | 45 Ų | 45 | 104.5 Ų | 104.5 | 37% | 0.372 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V438 A439 L445 Q446 | V438-A442 PolarHBondContact O-N 2.93Å; V438-A442 VanDerWaalsContact O-N 3.09Å; A439-A442 PolarHBondContact O-N 2.91Å; A442-L445 PolarHBondContact O-N 3.15Å; A442-Q446 PolarHBondContact O-N 3.27Å |
| 443 | L | 62.7 | Low | 52.5 | Low | 97 Ų | 97 | 107.6 Ų | 107.6 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.6 | -42.5 | 175.1 | -81 | 165.6 | 0 | 0 | 0 | 112.2 | A439 A440 L445 Q446 H447 | A439-L443 PolarHBondContact O-N 3.49Å; A439-L443 VanDerWaalsContact O-N 3.09Å; A440-L443 PolarHBondContact O-N 3.1Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.22Å; L443-Q446 PolarHBondContact O-N 2.96Å; L443-H447 PolarHBondContact O-N 3.36Å |
| 444 | Q | 59.7 | Low | 52.5 | Low | 139 Ų | 139 | 111.3 Ų | 111.3 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.7 | -38.9 | 177.9 | -169.4 | 70.6 | -9.2 | 0 | 0 | 112.2 | A440 L441 H447 A448 | A440-Q444 PolarHBondContact O-N 3.05Å; A440-Q444 VanDerWaalsContact O-N 3.13Å; L441-Q444 PolarHBondContact O-N 3.22Å; Q444-H447 PolarHBondContact O-N 2.8Å; Q444-A448 PolarHBondContact O-N 3.49Å |
| 445 | L | 59.4 | Low | 52.6 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.6 | -32.1 | 177.1 | -81.2 | 163.5 | 0 | 0 | 0 | 113.4 | L441 A442 L443 H447 A448 S449 | L441-L445 HydrophobicContact CG-CD1 4.38Å; L441-L445 PolarHBondContact O-N 2.68Å; L441-L445 VanDerWaalsContact O-N 3.1Å; A442-L445 PolarHBondContact O-N 3.15Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.22Å; L445-H447 VanDerWaalsContact C-N 3.32Å; L445-A448 PolarHBondContact O-N 3.38Å; L445-S449 PolarHBondContact O-OG 3.25Å |
| 446 | Q | 59.2 | Low | 52.1 | Low | 124 Ų | 124 | 110 Ų | 110 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.6 | -21.1 | 175.5 | -71.1 | -172.7 | -100.4 | 0 | 0 | 113.7 | A442 L443 S449 Q450 | A442-Q446 PolarHBondContact O-N 3.27Å; L443-Q446 PolarHBondContact O-N 2.96Å; Q446-S449 PolarHBondContact O-OG 2.9Å; Q446-Q450 PolarHBondContact O-NE2 2.76Å |
| 447 | H | 54.7 | Low | 51.8 | Low | 142 Ų | 142 | 110 Ų | 110 | 66% | 0.657 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -85.8 | -28.9 | 172.9 | -85.2 | -139.9 | 0 | 0 | 0 | 113 | L443 Q444 L445 S449 | L443-H447 PolarHBondContact O-N 3.36Å; Q444-H447 PolarHBondContact O-N 2.8Å; L445-H447 VanDerWaalsContact C-N 3.32Å; H447-S449 VanDerWaalsContact C-N 3.25Å; H447-S449 PolarHBondContact O-N 3.36Å |
| 448 | A | 48.8 | Very low | 51.2 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 65% | 0.653 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.5 | -17.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q444 L445 | Q444-A448 PolarHBondContact O-N 3.49Å; L445-A448 PolarHBondContact O-N 3.38Å |
| 449 | S | 50.2 | Low | 50.3 | Low | 85 Ų | 85 | 112.8 Ų | 112.8 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 4.8 | -169.7 | 45.2 | 0 | 0 | 0 | 0 | 115.5 | L445 Q446 H447 | L445-S449 PolarHBondContact O-OG 3.25Å; Q446-S449 PolarHBondContact O-OG 2.9Å; H447-S449 VanDerWaalsContact C-N 3.25Å; H447-S449 PolarHBondContact O-N 3.36Å |
| 450 | Q | 48.9 | Very low | 49.2 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -120.2 | 15.7 | -170.2 | -63.6 | -174.2 | 82.7 | 0 | 0 | 115 | Q446 | Q446-Q450 PolarHBondContact O-NE2 2.76Š|
| 451 | L | 43.6 | Very low | 48.6 | Very low | 166 Ų | 166 | 120.4 Ų | 120.4 | 87% | 0.869 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -125.3 | 12.1 | -178.4 | -92.7 | 159.8 | 0 | 0 | 0 | 114.3 | | |
| 452 | A | 42.5 | Very low | 47.6 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -106 | 11.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 453 | T | 36 | Very low | 46.5 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -127.3 | 144.4 | 180 | 44.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 454 | V | 39.3 | Very low | 45.2 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 89% | 0.885 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 70.7 | 84.1 | -174 | -166.3 | 0 | 0 | 0 | 0 | 114 | | |
| 455 | N | 44.7 | Very low | 44.1 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | | 171.7 | 91.7 | 115.4 | -175.4 | 36.7 | 0 | 0 | 0 | 112.6 | | |
| 456 | L | 36.6 | Very low | 43.4 | Very low | 164 Ų | 164 | 130 Ų | 130 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | | | trans | -157.2 | 121 | 157.1 | -148.6 | 73.8 | 0 | 0 | 0 | 108.7 | | |
| 457 | P | 41.8 | Very low | 42.2 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | | -141 | 150.6 | 101.8 | 39.3 | -25.7 | 0 | 0 | 0 | 111.9 | | |
| 458 | T | 43.9 | Very low | 41.4 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | | -177.7 | 168.4 | 73 | 30.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 459 | N | 40.1 | Very low | 40.9 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 84.3 | 145 | 157.3 | -146.9 | 4.9 | 0 | 0 | 0 | 117.9 | | |
| 460 | V | 40.2 | Very low | 40.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -116.6 | -170.8 | -171.9 | -73.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 461 | T | 44.7 | Very low | 39.7 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | 84 | 74.1 | 166.6 | -29.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 462 | N | 41 | Very low | 39.4 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | | -168.8 | 128 | 111.1 | -90.8 | -28 | 0 | 0 | 0 | 109 | | |
| 463 | L | 39.1 | Very low | 39.5 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | | 63 | 84.5 | 73.4 | -155.4 | 78.5 | 0 | 0 | 0 | 109.1 | | |
| 464 | A | 35.3 | Very low | 39.7 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | | 70.7 | 149.8 | 76 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 465 | M | 37.2 | Very low | 39.6 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | 77.9 | 92.6 | -173.6 | -52.6 | -62.4 | -136.8 | 0 | 0 | 116.6 | | |
| 466 | I | 44 | Very low | 39.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | -174.3 | 85.2 | 135 | -92.3 | 151.8 | 0 | 0 | 0 | 104.3 | | |
| 467 | S | 34 | Very low | 39.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | | 79.9 | 84.9 | 89.7 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 468 | A | 38.6 | Very low | 38.9 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 135.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 469 | L | 37.1 | Very low | 38.5 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -174.3 | 124.4 | 151 | -132.2 | 77.2 | 0 | 0 | 0 | 110.7 | | |
| 470 | T | 36.1 | Very low | 38.6 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -172 | 78.6 | 143.7 | 36 | 0 | 0 | 0 | 0 | 110.7 | | |
| 471 | N | 38.2 | Very low | 38.7 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -165.6 | 141.5 | 152.7 | -117.1 | -9.8 | 0 | 0 | 0 | 109 | | |
| 472 | G | 37.5 | Very low | 38.5 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 114.9 | 106.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 473 | S | 43.7 | Very low | 38.4 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -85.4 | 162.1 | -175.8 | -48.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 474 | S | 41.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | 74.3 | 138.4 | 152.2 | -51.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 475 | G | 36.8 | Very low | 38.5 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 129.2 | 46.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 476 | H | 36.2 | Very low | 39 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | trans | 50.4 | 106.3 | 137.7 | -177.3 | -71.9 | 0 | 0 | 0 | 121.4 | | |
| 477 | L | 34.6 | Very low | 38.7 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | trans | 50.1 | 137.8 | 147.5 | -47.1 | -175.6 | 0 | 0 | 0 | 121.5 | | |
| 478 | G | 37.3 | Very low | 39.1 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 163.8 | 49.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 479 | C | 35.3 | Very low | 39.2 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 15.4 | 115.7 | 161.5 | -156.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 480 | A | 42.7 | Very low | 39.4 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | 69.1 | 145.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 481 | P | 42.7 | Very low | 39.7 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -114 | 154.2 | -174.5 | 40.8 | -31.9 | 0 | 0 | 0 | 115.6 | | |
| 482 | L | 39.5 | Very low | 39.6 | Very low | 156 Ų | 156 | 122.1 Ų | 122.1 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -154.1 | 124.5 | 155 | -80.8 | -172.1 | 0 | 0 | 0 | 114 | | |
| 483 | L | 40.4 | Very low | 39.8 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | 66.2 | 156.8 | 139.6 | -60.1 | 166.3 | 0 | 0 | 0 | 123 | | |
| 484 | H | 34.7 | Very low | 39.5 | Very low | 171 Ų | 171 | 125 Ų | 125 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | 78.6 | 108.8 | 157.9 | -57.7 | 121.2 | 0 | 0 | 0 | 121.9 | | |
| 485 | S | 40.6 | Very low | 39.7 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -89.7 | -163.6 | 149 | -33.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 486 | P | 48.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | cis | -135.1 | -142.3 | -16.6 | 34.5 | -10.4 | 0 | 0 | 0 | 111.6 | | |
| 487 | R | 38.2 | Very low | 39.4 | Very low | 226 Ų | 226 | 124.7 Ų | 124.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | 76.7 | 145.4 | 168.6 | -67.7 | 169.8 | 63.6 | 109.4 | -4.7 | 116 | | |
| 488 | S | 40.8 | Very low | 39.5 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | cis | -158.4 | 163 | -9.4 | -91.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 489 | G | 42.2 | Very low | 39.5 | Very low | 65 Ų | 65 | 127 Ų | 127 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | cis | 178 | -160.2 | 4.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 490 | T | 40.9 | Very low | 39.5 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | cis | -179.4 | 104.8 | -26 | 23.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 491 | A | 42 | Very low | 39.5 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -173.5 | 112.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 492 | N | 36.8 | Very low | 39.1 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | cis | 68.9 | 113.5 | 48.3 | -150.1 | 20.7 | 0 | 0 | 0 | 110.4 | | |
| 493 | L | 40.6 | Very low | 38.9 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | | -144.6 | 132.8 | 51.2 | -71.9 | 136 | 0 | 0 | 0 | 111 | | |
| 494 | S | 37.3 | Very low | 38.6 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | 93 | 152.1 | 84.3 | -72.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 495 | P | 45.5 | Very low | 38.5 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | trans | -132.5 | -154.2 | -134 | 45.3 | -29.6 | 0 | 0 | 0 | 115.8 | | |
| 496 | N | 37.5 | Very low | 38.1 | Very low | 148 Ų | 148 | 125 Ų | 125 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 79.9 | 145.5 | -179.8 | -75.9 | -10.7 | 0 | 0 | 0 | 116 | | |
| 497 | C | 30.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | | | cis | -162.5 | 149 | -7.2 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 498 | H | 36.1 | Very low | 37.1 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 55.5 | 132.9 | 146.6 | -63.5 | 121.5 | 0 | 0 | 0 | 124.3 | | |
| 499 | T | 36.2 | Very low | 36.8 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | trans | 72.4 | 106.4 | 141.7 | 48.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 500 | N | 36.6 | Very low | 36.5 | Very low | 157 Ų | 157 | 119.3 Ų | 119.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | 74.4 | 155.5 | 135.2 | -66.3 | 6.5 | 0 | 0 | 0 | 121 | | |
| 501 | P | 42.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -127 | 179.5 | -156.8 | 42.1 | -26 | 0 | 0 | 0 | 116.3 | | |
| 502 | M | 33.7 | Very low | 35.9 | Very low | 190 Ų | 190 | 121.2 Ų | 121.2 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | | | trans | 97.5 | 141.3 | 157.3 | -157.3 | 171 | -173.1 | 0 | 0 | 118.5 | | |
| 503 | A | 35.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | 94.6 | 136.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 504 | A | 34.7 | Very low | 35.9 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 64.1 | 85.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 505 | A | 33.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | | 46.3 | 136.2 | 112.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 506 | A | 32.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | 71.4 | 119.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 507 | A | 31.6 | Very low | 35.5 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | | 178.8 | 150.5 | 112 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 508 | A | 33.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | 62.5 | 156 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 509 | A | 34.3 | Very low | 36 | Very low | 89 Ų | 89 | 115.9 Ų | 115.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | cis | -169.8 | 162.1 | -27.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 510 | A | 35.1 | Very low | 35.9 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | 70.9 | 157.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 511 | V | 34.1 | Very low | 35.9 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | cis | -158.2 | 148 | -4 | 98.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 512 | L | 36.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | 53.1 | 143.3 | 162.4 | -59 | 171.5 | 0 | 0 | 0 | 120.7 | | |
| 513 | G | 35.9 | Very low | 35.6 | Very low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | cis | 169.2 | 171.1 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 514 | M | 41.2 | Very low | 35.5 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | 61.2 | 132.4 | 149.8 | -64 | 155 | 68.6 | 0 | 0 | 119.3 | | |
| 515 | S | 36.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | cis | -163.1 | 160.5 | -4.3 | -73.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 516 | G | 36.6 | Very low | 36 | Very low | 64 Ų | 64 | 119.9 Ų | 119.9 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | cis | 170.5 | 176.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 517 | S | 39.4 | Very low | 36.1 | Very low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | 66.7 | 132.4 | 170.5 | -57.8 | 0 | 0 | 0 | 0 | 119 | | |
| 518 | N | 34.1 | Very low | 36.2 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | cis | -156.1 | 152.7 | -18.9 | -138.4 | 17.4 | 0 | 0 | 0 | 110.6 | | |
| 519 | P | 41.9 | Very low | 36.2 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | -125.2 | 168.9 | -164.9 | 43.2 | -32 | 0 | 0 | 0 | 116.7 | | |
| 520 | Q | 34.9 | Very low | 36.3 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | -178.5 | 150.9 | 140.1 | -101.8 | 174.9 | -63.2 | 0 | 0 | 108.1 | | |
| 521 | L | 35.4 | Very low | 36.1 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | cis | -143.1 | 139.4 | 10.4 | -156.8 | 141.4 | 0 | 0 | 0 | 111.6 | | |
| 522 | T | 35.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | trans | -59.9 | 173.7 | 179.2 | 46.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 523 | Q | 33.8 | Very low | 36 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | cis | -168.9 | 134.9 | 36.3 | 178.8 | -179.4 | -11.7 | 0 | 0 | 107.1 | | |
| 524 | I | 34.3 | Very low | 36.2 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | cis | 94.8 | 131.7 | 42 | -65.4 | 174.8 | 0 | 0 | 0 | 114.7 | | |
| 525 | S | 33.9 | Very low | 35.9 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -132.7 | -164.6 | 179.3 | -146.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 526 | P | 44.4 | Very low | 35.7 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | | | cis | -135.2 | -158.2 | -20.2 | 38.7 | -17.2 | 0 | 0 | 0 | 113.2 | | |
| 527 | Q | 34 | Very low | 35.5 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 68.3 | 157.9 | 153.2 | -71.3 | 170.9 | -21.7 | 0 | 0 | 120.3 | | |
| 528 | M | 33.1 | Very low | 35 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | cis | -168.1 | 156.9 | -29.4 | -169.9 | -169.8 | -71.9 | 0 | 0 | 110.6 | | |
| 529 | A | 34.8 | Very low | 34.9 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 97.2 | 168.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 530 | A | 36.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 92.4 | 74.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 531 | L | 31 | Very low | 34.5 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | 1 | 137.6 | 140.5 | -55.3 | 167 | 0 | 0 | 0 | 120.8 | | |
| 532 | S | 36.1 | Very low | 34.4 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | | 173.5 | 154.7 | 113.5 | -76.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 533 | N | 33.4 | Very low | 34.5 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -98.7 | 138.4 | -176.6 | -73.6 | -6.4 | 0 | 0 | 0 | 114.8 | | |
| 534 | V | 38.6 | Very low | 34.6 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -168.7 | 117.7 | 139.4 | -95.8 | 0 | 0 | 0 | 0 | 106 | | |
| 535 | N | 34.6 | Very low | 34.9 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | | 73.9 | 139.8 | 58.9 | -162.5 | 33.6 | 0 | 0 | 0 | 114.8 | | |
| 536 | S | 32.9 | Very low | 35.2 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | | | trans | 68.8 | 121.7 | -177 | -69.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 537 | T | 33.1 | Very low | 35 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | | 62 | 131.3 | 64.6 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 538 | C | 29.4 | Very low | 35.8 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | cis | -159.7 | -172 | 19.4 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 539 | V | 30.3 | Very low | 36.2 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | trans | -57.8 | 155.8 | -174.3 | -69.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 540 | S | 33.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | | 156 | 151.3 | 119.7 | -66.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 541 | G | 35.2 | Very low | 36.6 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | 85.4 | 130 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 542 | E | 34.5 | Very low | 37 | Very low | 181 Ų | 181 | 123.2 Ų | 123.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | cis | 89.3 | 136.4 | 31.8 | 93 | -174.4 | 96.9 | 0 | 0 | 114.4 | | |
| 543 | T | 36.2 | Very low | 37.1 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | cis | -156.5 | 159.6 | 23.3 | 28.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 544 | G | 37.9 | Very low | 37.5 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | 71.1 | 158.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 545 | S | 40.1 | Very low | 37.4 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | cis | 179.7 | 163.7 | -11.4 | -104.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 546 | N | 39.9 | Very low | 37.3 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | cis | -156.8 | 152.2 | -1.2 | -93.9 | -9.2 | 0 | 0 | 0 | 106.9 | | |
| 547 | N | 39.3 | Very low | 37.3 | Very low | 145 Ų | 145 | 118.4 Ų | 118.4 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | | 74.8 | 138.1 | 61.5 | -152.1 | 42.3 | 0 | 0 | 0 | 114.8 | | |
| 548 | P | 52.6 | Low | 37.2 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | cis | -134.6 | -176.6 | 3.9 | 35.4 | -13.8 | 0 | 0 | 0 | 118.8 | | |
| 549 | T | 39.7 | Very low | 37.2 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | 83.5 | 160.6 | 168.3 | 77.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 550 | N | 39.2 | Very low | 37 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | cis | -145.6 | -178.1 | 10.6 | -152.8 | -10.4 | 0 | 0 | 0 | 113.4 | | |
| 551 | N | 40.8 | Very low | 36.9 | Very low | 157 Ų | 157 | 113 Ų | 113 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 154.1 | -175.7 | -62.6 | -25.9 | 0 | 0 | 0 | 115.2 | | |
| 552 | G | 39.9 | Very low | 36.5 | Very low | 64 Ų | 64 | 114.3 Ų | 114.3 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | cis | 158 | 165.7 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 553 | N | 38.8 | Very low | 36.2 | Very low | 160 Ų | 160 | 113.7 Ų | 113.7 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | 66.7 | 141.2 | 164 | -60.6 | 1.4 | 0 | 0 | 0 | 117.7 | | |
| 554 | S | 40.8 | Very low | 35.9 | Very low | 93 Ų | 93 | 113 Ų | 113 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | cis | -170.5 | 158.5 | -0.4 | -116 | 0 | 0 | 0 | 0 | 111.4 | | |
| 555 | T | 37.7 | Very low | 35.7 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | cis | -169.2 | 125.2 | -26.6 | 14.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 556 | A | 31.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 67.6 | 163.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 557 | A | 32.1 | Very low | 34.7 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | -154.3 | 165.4 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 558 | A | 32.5 | Very low | 34.2 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 49.7 | 133.2 | 157 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 559 | A | 28.7 | Very low | 33.2 | Very low | 97 Ų | 97 | 119 Ų | 119 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | cis | 83.5 | 132.5 | 20.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 560 | A | 26.8 | Very low | 32.7 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | 78.9 | 156 | 173.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 561 | A | 29.8 | Very low | 32.2 | Very low | 93 Ų | 93 | 116 Ų | 116 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | 62.1 | 135.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 562 | A | 26.7 | Very low | 31.8 | Very low | 89 Ų | 89 | 113.5 Ų | 113.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | cis | 80 | 149.5 | 26.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 563 | L | 28.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | 77.4 | 131.4 | -172 | -71.2 | 77.5 | 0 | 0 | 0 | 116.6 | | |
| 564 | S | 29.6 | Very low | 31 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -69.9 | 148.1 | 165.9 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 565 | T | 34.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 112.3 Ų | 112.3 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -127.2 | 114.6 | 156.2 | 35.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 566 | N | 28.9 | Very low | 30.3 | Very low | 156 Ų | 156 | 112.8 Ų | 112.8 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | trans | -98.8 | 144.8 | 173.4 | -164.9 | 19.5 | 0 | 0 | 0 | 108.9 | | |
| 567 | A | 28.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 114 Ų | 114 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | 56 | 128.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 568 | A | 28.6 | Very low | 30.4 | Very low | 98 Ų | 98 | 114 Ų | 114 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | | 171.3 | 128.4 | 107.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 569 | M | 33.3 | Very low | 30.3 | Very low | 196 Ų | 196 | 118.5 Ų | 118.5 | 97% | 0.966 | 82% | 0.823 | S | S | * | * | | | trans | -154.3 | 101.8 | 149.2 | -114.2 | -60.2 | -135.1 | 0 | 0 | 108.1 | | |
| 570 | A | 28.1 | Very low | 30.7 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -147.1 | 117.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 571 | A | 29.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | | | trans | -175.4 | 111.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 572 | A | 32.1 | Very low | 31.1 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | trans | 166.4 | 146.4 | 139 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 573 | A | 29.7 | Very low | 31.3 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | | | cis | -163.5 | 123.2 | -31.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 574 | A | 31.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | 61.1 | 153.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 575 | A | 33.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 123 Ų | 123 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | | | trans | 71 | 138.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 576 | V | 31.7 | Very low | 31.7 | Very low | 128 Ų | 128 | 119 Ų | 119 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | cis | -155.2 | 140.4 | -10.6 | 112.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 577 | V | 30.1 | Very low | 31.8 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | 8.6 | 136.7 | 140.6 | -176.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 578 | A | 34.4 | Very low | 31.9 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | | | cis | -160.2 | 175.8 | 11.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 579 | M | 32.1 | Very low | 32.1 | Very low | 189 Ų | 189 | 123.7 Ų | 123.7 | 93% | 0.931 | 82% | 0.818 | S | S | * | * | | | trans | -42.5 | 156.6 | 170.8 | -50.9 | 166.4 | 178.5 | 0 | 0 | 119.6 | | |
| 580 | A | 35.3 | Very low | 32.2 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | | -168.9 | 160.4 | 124 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 581 | N | 31.2 | Very low | 32.5 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | | | trans | -114.8 | 162 | -173.8 | -71.9 | -38.5 | 0 | 0 | 0 | 113.9 | | |
| 582 | G | 34.1 | Very low | 32.9 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | 124.9 | 112.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 583 | N | 31.7 | Very low | 33.1 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | cis | 91.1 | 149 | 37.5 | -163.4 | 25.2 | 0 | 0 | 0 | 114.3 | | |
| 584 | V | 35.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 65% | 0.648 | 80% | 0.801 | S | S | * | * | | | trans | 86.1 | 91 | 167.9 | -166.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 585 | T | 30.8 | Very low | 33.9 | Very low | 140 Ų | 140 | 123 Ų | 123 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | | 56.5 | 139.4 | 117.1 | -45.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 586 | G | 34 | Very low | 34.3 | Very low | 65 Ų | 65 | 121.4 Ų | 121.4 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | trans | 111.5 | 86.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 587 | N | 31.7 | Very low | 34.7 | Very low | 160 Ų | 160 | 123.7 Ų | 123.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | | 80.1 | 133.2 | 80.9 | -166 | 48.8 | 0 | 0 | 0 | 115 | | |
| 588 | V | 31.3 | Very low | 35.2 | Very low | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -68.5 | 145.3 | -166.3 | -75.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 589 | N | 33.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | | -159 | 176.8 | 114.7 | -138.5 | -25.4 | 0 | 0 | 0 | 113.2 | | |
| 590 | S | 35.7 | Very low | 35.9 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -110.3 | 158.6 | -153.2 | -48.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 591 | N | 33.6 | Very low | 35.8 | Very low | 170 Ų | 170 | 120.7 Ų | 120.7 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | 93.8 | 137.2 | 136.7 | -151.4 | 20.9 | 0 | 0 | 0 | 122.1 | | |
| 592 | G | 37.6 | Very low | 36.1 | Very low | 57 Ų | 57 | 119.9 Ų | 119.9 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | | | trans | 84.3 | 156.5 | 160 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 593 | T | 36.7 | Very low | 36.2 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | cis | -170.9 | 171 | -18.2 | -1.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 594 | T | 38.7 | Very low | 36.5 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | | | trans | 76.3 | 148.5 | 167.7 | 73 | 0 | 0 | 0 | 0 | 119.3 | | |
| 595 | G | 39.5 | Very low | 36.5 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | cis | 166.9 | 167.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 596 | G | 41.2 | Very low | 37.1 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | 89.5 | 156.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 597 | L | 40.8 | Very low | 37.5 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | | | cis | -158.4 | 170.4 | -6.4 | -74.9 | 179.7 | 0 | 0 | 0 | 107.5 | | |
| 598 | A | 40.6 | Very low | 37.7 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | cis | -176.9 | 143.1 | -38.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 599 | G | 39.4 | Very low | 37.9 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -178.4 | 84.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 600 | Q | 40.1 | Very low | 38.1 | Very low | 182 Ų | 182 | 116 Ų | 116 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | 53 | 145.2 | 142.9 | -51.6 | -78.1 | 44.9 | 0 | 0 | 121.7 | | |
| 601 | T | 35 | Very low | 37.9 | Very low | 99 Ų | 99 | 114.6 Ų | 114.6 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | | | cis | -170.5 | 156.4 | -24.9 | -159.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 602 | I | 37.3 | Very low | 38.2 | Very low | 161 Ų | 161 | 114.6 Ų | 114.6 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | 59 | 129 | 167.2 | -56.6 | 165.3 | 0 | 0 | 0 | 117.3 | | |
| 603 | G | 36.1 | Very low | 37.8 | Very low | 59 Ų | 59 | 118.6 Ų | 118.6 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | | | cis | 156.5 | 152.3 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 604 | L | 37 | Very low | 37.8 | Very low | 184 Ų | 184 | 119.4 Ų | 119.4 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | | | trans | 64.1 | 129.7 | 159.2 | -47.9 | 176.2 | 0 | 0 | 0 | 118.4 | | |
| 605 | G | 36 | Very low | 37.5 | Very low | 67 Ų | 67 | 116.5 Ų | 116.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | cis | 175.5 | 152.5 | -8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 606 | S | 43.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 43 | 135 | 159.4 | -58.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 607 | P | 41.4 | Very low | 37 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -85.1 | 166.2 | 172.7 | 37.2 | -36.3 | 0 | 0 | 0 | 113.4 | | |
| 608 | G | 37 | Very low | 36.8 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | | | trans | -149.2 | 143.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 609 | T | 35.8 | Very low | 36.9 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -89.9 | 137.8 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 610 | S | 36.9 | Very low | 36.7 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 169 | 155.3 | 141.2 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 611 | G | 32.7 | Very low | 36.7 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | -102.5 | 158.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 612 | H | 39.1 | Very low | 36.7 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | | | trans | -131 | 110.5 | 170.9 | -84.9 | -63.9 | 0 | 0 | 0 | 112.3 | | |
| 613 | T | 29.2 | Very low | 37 | Very low | 141 Ų | 141 | 123 Ų | 123 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -72.3 | 116.8 | 154.9 | -54.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 614 | I | 37.2 | Very low | 37.4 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -132.7 | 131.7 | 163.5 | -62.2 | -177.5 | 0 | 0 | 0 | 107.5 | | |
| 615 | A | 31.7 | Very low | 37.8 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | trans | -117.1 | 134.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 616 | L | 36.6 | Very low | 37.8 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -145.4 | 134.3 | 160.9 | -67.3 | 176.3 | 0 | 0 | 0 | 107.1 | | |
| 617 | H | 33.3 | Very low | 37.7 | Very low | 178 Ų | 178 | 124.1 Ų | 124.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | cis | 159.4 | 133.1 | -30.8 | 173.4 | -139.7 | 0 | 0 | 0 | 105.2 | | |
| 618 | A | 37.8 | Very low | 37.5 | Very low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | 68.5 | 152.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 619 | V | 40.6 | Very low | 37.6 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | cis | -139.6 | 141.3 | 3.7 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 620 | P | 36 | Very low | 37.7 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -92.7 | 143.9 | 166.1 | 35.4 | -31.7 | 0 | 0 | 0 | 112.5 | | |
| 621 | G | 40.9 | Very low | 37.7 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | -149.8 | 141.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 622 | T | 34.8 | Very low | 38 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -126.9 | 145.8 | -172 | 49.2 | 0 | 0 | 0 | 0 | 113 | | |
| 623 | H | 43.2 | Very low | 37.9 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -166.2 | 132.8 | 161.3 | 39.6 | -85.2 | 0 | 0 | 0 | 106.9 | | |
| 624 | T | 43.9 | Very low | 38.4 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | cis | 81.5 | 144.9 | 30.4 | 82.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 625 | P | 45.2 | Very low | 38.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | | -141.1 | -172 | -88.1 | 35.1 | -13 | 0 | 0 | 0 | 116.3 | | |
| 626 | S | 36.8 | Very low | 38.7 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | 81.5 | 108.8 | 148.3 | -57.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 627 | A | 41.1 | Very low | 38.8 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -166.5 | 112.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 628 | N | 37 | Very low | 39.3 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | | 82.6 | 97.2 | 53.1 | -172.2 | 23.7 | 0 | 0 | 0 | 114.5 | | |
| 629 | L | 39.9 | Very low | 39.4 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | | -168.5 | 123.1 | 124.4 | -126.2 | 72.8 | 0 | 0 | 0 | 114.1 | | |
| 630 | N | 37 | Very low | 39.2 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 27.4 | 123.8 | 147.6 | -57.1 | -18.6 | 0 | 0 | 0 | 122.8 | | |
| 631 | G | 38.2 | Very low | 39.2 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -171.2 | 103.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 632 | L | 38.5 | Very low | 38.9 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | | | trans | -86.9 | 132.3 | -162.7 | -71.1 | 166.1 | 0 | 0 | 0 | 115.4 | | |
| 633 | G | 37.8 | Very low | 38.9 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 101.5 | 147.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 634 | A | 37.9 | Very low | 38.6 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | cis | -161.9 | 166.1 | -8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 635 | V | 39.2 | Very low | 38 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | 68.8 | 124.9 | 166.1 | -166.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 636 | S | 36.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | -112.7 | 166.2 | 170.5 | -43.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 637 | L | 38 | Very low | 37.5 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | | 178.8 | 140.1 | 119.2 | -94.4 | 165.8 | 0 | 0 | 0 | 111.9 | | |
| 638 | P | 44.9 | Very low | 37.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | | | trans | -116.2 | 159.8 | 179.3 | 40.7 | -32 | 0 | 0 | 0 | 114.5 | | |
| 639 | L | 40.1 | Very low | 37 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -173.6 | 115.9 | 149.8 | -122.5 | 59.7 | 0 | 0 | 0 | 106.9 | | |
| 640 | N | 35.9 | Very low | 36.8 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | | | | 94.7 | 93.2 | 68.1 | -169.6 | 69.8 | 0 | 0 | 0 | 114.9 | | |
| 641 | Q | 36 | Very low | 36.5 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | | | trans | 46.1 | 129.3 | 138.5 | -58.4 | -169.9 | 0.3 | 0 | 0 | 123.1 | | |
| 642 | A | 34 | Very low | 36.3 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | 95.4 | 162.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 643 | I | 36.7 | Very low | 36.2 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | 88.4 | 84.7 | 172.3 | -48.1 | 179.2 | 0 | 0 | 0 | 117 | | |
| 644 | S | 36.7 | Very low | 36.2 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | 48.5 | 118.1 | 121.9 | -49.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 645 | N | 31.3 | Very low | 36.1 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | 31.1 | 103.5 | 133.4 | -59.1 | 6.6 | 0 | 0 | 0 | 119.8 | | |
| 646 | A | 38.1 | Very low | 36.5 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -152.1 | 125.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 647 | S | 32.4 | Very low | 36.6 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -93.3 | 116.4 | 175.6 | -54 | 0 | 0 | 0 | 0 | 110.7 | | |
| 648 | F | 37.3 | Very low | 36.6 | Very low | 218 Ų | 218 | 136 Ų | 136 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | | | trans | -150.9 | 136.2 | 152.3 | -80.4 | -65.8 | 0 | 0 | 0 | 109.4 | | |
| 649 | G | 30.5 | Very low | 36.5 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | -122.3 | 148.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 650 | L | 35.9 | Very low | 36.3 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -163.9 | 153.7 | 146.6 | -107.5 | 170.3 | 0 | 0 | 0 | 109.4 | | |
| 651 | N | 29.6 | Very low | 36.7 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | | | trans | -75.5 | 164.7 | -178.7 | -43.3 | -76.6 | 0 | 0 | 0 | 111.3 | | |
| 652 | T | 35.7 | Very low | 37.1 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | | 152.2 | 105.3 | 129.3 | -65.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 653 | L | 36.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | 67.3 | 151.3 | 144.9 | -62.7 | 172.7 | 0 | 0 | 0 | 124.1 | | |
| 654 | T | 37 | Very low | 37.3 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | 85.6 | 115.8 | 149 | -58.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 655 | S | 36.7 | Very low | 37.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -103.2 | -161.8 | 165 | -30.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 656 | P | 47.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | cis | -128.2 | -177.5 | -26.6 | 39.2 | -24.1 | 0 | 0 | 0 | 112.3 | | |
| 657 | L | 37.4 | Very low | 37.5 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -151.8 | 162.8 | 152.7 | -154.1 | 54.2 | 0 | 0 | 0 | 113.2 | | |
| 658 | T | 38.4 | Very low | 37.9 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -109.9 | 156.6 | -161.3 | 45.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 659 | G | 41.9 | Very low | 38 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | -169.5 | 120.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 660 | L | 35.8 | Very low | 38.5 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -106.9 | 177.3 | 170.2 | -110.6 | 87.5 | 0 | 0 | 0 | 108.9 | | |
| 661 | P | 45.2 | Very low | 38.9 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | cis | -153.4 | 166.1 | 35 | 45.6 | -24.1 | 0 | 0 | 0 | 121.3 | | |
| 662 | T | 43.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | | | trans | 20.5 | 129.3 | 144.9 | 61.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 663 | D | 35.8 | Very low | 39.8 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | | 60.4 | 126 | 124.9 | -60.9 | -64.8 | 0 | 0 | 0 | 124.6 | | |
| 664 | A | 40.2 | Very low | 39.7 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -160.9 | 161.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 665 | L | 36.3 | Very low | 39.7 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | 70.5 | 76.3 | 166.4 | -68.8 | 164.6 | 0 | 0 | 0 | 118.7 | | |
| 666 | S | 32.2 | Very low | 39.6 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -72.8 | -173.6 | 154.4 | -40.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 667 | H | 40.7 | Very low | 39 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | 86.5 | 100.1 | 167.2 | -47.8 | -77 | 0 | 0 | 0 | 118.1 | | |
| 668 | L | 41.3 | Very low | 39 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | S | Bend | | -169.7 | 149.9 | 117.9 | -99.7 | 159.8 | 0 | 0 | 0 | 110.6 | | |
| 669 | Y | 38.7 | Very low | 38.4 | Very low | 219 Ų | 219 | 139 Ų | 139 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | 62.7 | 109.1 | 179.9 | -79.4 | -83.7 | 0 | 0 | 0 | 119.4 | | |
| 670 | P | 42.4 | Very low | 38.3 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -113.4 | -171.6 | 176.1 | 42.5 | -34.1 | 0 | 0 | 0 | 114.5 | | |
| 671 | S | 42.9 | Very low | 38.3 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 78.1 | 141.3 | -179.5 | 77.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 672 | V | 42.5 | Very low | 37.9 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | cis | -124.3 | -175 | 12.1 | -126.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 673 | P | 42 | Very low | 37.4 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | | -107.8 | 167.7 | -128.3 | 41.8 | -31.6 | 0 | 0 | 0 | 117.5 | | |
| 674 | T | 35.4 | Very low | 37.3 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -100.3 | 142.1 | -176.4 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 675 | Y | 37.4 | Very low | 36.8 | Very low | 225 Ų | 225 | 140.3 Ų | 140.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -122.4 | 132.6 | 142.6 | -62.2 | -91.3 | 0 | 0 | 0 | 105 | | |
| 676 | G | 33.1 | Very low | 36.8 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | cis | 93.7 | 108.5 | 44 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 677 | L | 36.3 | Very low | 37.1 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | | -150.5 | 147.4 | 51.5 | -70.3 | 164.1 | 0 | 0 | 0 | 115.2 | | |
| 678 | S | 37.1 | Very low | 36.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 31.4 | 126.4 | 149.9 | -143.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 679 | Y | 26.6 | Very low | 37 | Very low | 204 Ų | 204 | 132.6 Ų | 132.6 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | trans | -75.1 | 163.2 | 149.8 | -85.4 | -105.6 | 0 | 0 | 0 | 111.3 | | |
| 680 | P | 38.5 | Very low | 37 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | | -132.8 | 132.1 | 81.3 | 33 | -17.7 | 0 | 0 | 0 | 113 | | |
| 681 | S | 35.8 | Very low | 37.1 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | | 75.8 | 142.3 | 77.9 | -66.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 682 | P | 38.2 | Very low | 37.3 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | | | trans | -121.7 | 156.5 | -140.5 | 40.1 | -28.3 | 0 | 0 | 0 | 116.4 | | |
| 683 | V | 32.9 | Very low | 37.3 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | | | trans | -154.7 | 143.6 | 158.9 | -94.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 684 | T | 32.6 | Very low | 37.4 | Very low | 124 Ų | 124 | 120 Ų | 120 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | | | trans | 62.1 | 101.1 | 150.8 | -50.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 685 | S | 29.8 | Very low | 38 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | | | trans | 46.3 | 80.7 | 132.4 | -48.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 686 | A | 37 | Very low | 38.5 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | | | trans | -106.2 | 134.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | N688 | A686-N688 PolarHBondContact O-N 3.08Š|
| 687 | L | 37.9 | Very low | 39.2 | Very low | 167 Ų | 167 | 115.2 Ų | 115.2 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | | | trans | -62.4 | 130.8 | 177 | -76.6 | 147.7 | 0 | 0 | 0 | 110.1 | P689 | L687-P689 VanDerWaalsContact O-CD 3.31Å; L687-P689 WeakPolarHBondContact O-CD 3.43Å |
| 688 | N | 35 | Very low | 39.7 | Very low | 101 Ų | 101 | 113.9 Ų | 113.9 | 54% | 0.54 | 67% | 0.671 | S | S | . | * | | | trans | -67.8 | 114.2 | -175.6 | -168.7 | 0.8 | 0 | 0 | 0 | 110.3 | A686 F690 A691 | A686-N688 PolarHBondContact O-N 3.08Å; N688-F690 PolarHBondContact O-N 3.38Å; N688-A691 WeakPolarHBondContact O-CB 3.46Å; N688-A691 PolarHBondContact O-N 3.34Å |
| 689 | P | 44.6 | Very low | 40.6 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.6 | -19.3 | -173.4 | 24.7 | -34.4 | 0 | 0 | 0 | 113.4 | L687 A691 T692 M693 | L687-P689 VanDerWaalsContact O-CD 3.31Å; L687-P689 WeakPolarHBondContact O-CD 3.43Å; P689-A691 VanDerWaalsContact C-N 3.31Å; P689-A691 PolarHBondContact O-N 3.44Å; P689-T692 PolarHBondContact O-N 2.99Å; P689-M693 PolarHBondContact O-N 3.25Å |
| 690 | F | 38.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 107.3 Ų | 107.3 | 61% | 0.605 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.7 | -35.2 | 169.7 | -79.6 | -90.9 | 0 | 0 | 0 | 113.4 | N688 T692 M693 A694 | N688-F690 PolarHBondContact O-N 3.38Å; F690-T692 VanDerWaalsContact C-N 3.29Å; F690-T692 PolarHBondContact O-N 2.9Å; F690-M693 PolarHBondContact O-N 3.04Å; F690-A694 PolarHBondContact O-N 2.81Å; F690-A694 VanDerWaalsContact O-N 3.08Å |
| 691 | A | 44.8 | Very low | 41.2 | Very low | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.1 | -30.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N688 P689 H695 | N688-A691 WeakPolarHBondContact O-CB 3.46Å; N688-A691 PolarHBondContact O-N 3.34Å; P689-A691 VanDerWaalsContact C-N 3.31Å; P689-A691 PolarHBondContact O-N 3.44Å; A691-H695 PolarHBondContact O-N 2.63Å; A691-H695 PolarHBondContact O-ND1 3.31Å |
| 692 | T | 47.5 | Very low | 41.6 | Very low | 79 Ų | 79 | 108.6 Ų | 108.6 | 49% | 0.485 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.8 | -42.7 | 175 | -52 | 0 | 0 | 0 | 0 | 111.6 | P689 F690 A694 H695 Q696 | P689-T692 PolarHBondContact O-N 2.99Å; F690-T692 VanDerWaalsContact C-N 3.29Å; F690-T692 PolarHBondContact O-N 2.9Å; T692-A694 PolarHBondContact O-N 3.37Å; T692-H695 PolarHBondContact O-N 3.12Å; T692-Q696 WeakPolarHBondContact O-CG 3.28Å; T692-Q696 PolarHBondContact O-N 2.93Å |
| 693 | M | 42.4 | Very low | 41.8 | Very low | 104 Ų | 104 | 110 Ų | 110 | 51% | 0.512 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.7 | -37 | 175.9 | -79.9 | -176.5 | -74.8 | 0 | 0 | 112.7 | P689 F690 H695 Q696 A697 | P689-M693 PolarHBondContact O-N 3.25Å; F690-M693 PolarHBondContact O-N 3.04Å; M693-H695 VanDerWaalsContact C-N 3.33Å; M693-H695 PolarHBondContact O-N 3Å; M693-Q696 PolarHBondContact O-N 3.35Å; M693-Q696 VanDerWaalsContact O-N 3.15Å; M693-A697 PolarHBondContact O-N 3.41Å |
| 694 | A | 44.3 | Very low | 42.1 | Very low | 58 Ų | 58 | 111 Ų | 111 | 48% | 0.479 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.4 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F690 T692 | F690-A694 PolarHBondContact O-N 2.81Å; F690-A694 VanDerWaalsContact O-N 3.08Å; T692-A694 PolarHBondContact O-N 3.37Å |
| 695 | H | 47.1 | Very low | 42.6 | Very low | 138 Ų | 138 | 111.2 Ų | 111.2 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.3 | -30.9 | 173.6 | -77.5 | 81.7 | 0 | 0 | 0 | 113.1 | A691 T692 M693 L698 | A691-H695 PolarHBondContact O-N 2.63Å; A691-H695 PolarHBondContact O-ND1 3.31Å; T692-H695 PolarHBondContact O-N 3.12Å; M693-H695 VanDerWaalsContact C-N 3.33Å; M693-H695 PolarHBondContact O-N 3Å; H695-L698 PolarHBondContact O-N 2.86Å |
| 696 | Q | 49.3 | Very low | 43.1 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 54% | 0.537 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -33.3 | 175 | -75.6 | 177.2 | -25.8 | 0 | 0 | 112.7 | T692 M693 L698 T699 | T692-Q696 WeakPolarHBondContact O-CG 3.28Å; T692-Q696 PolarHBondContact O-N 2.93Å; M693-Q696 PolarHBondContact O-N 3.35Å; M693-Q696 VanDerWaalsContact O-N 3.15Å; Q696-L698 VanDerWaalsContact C-N 3.25Å; Q696-L698 PolarHBondContact O-N 3.1Å; Q696-T699 WeakPolarHBondContact O-CG2 3.48Å; Q696-T699 PolarHBondContact O-N 3.27Å |
| 697 | A | 47.1 | Very low | 43.5 | Very low | 62 Ų | 62 | 113.9 Ų | 113.9 | 51% | 0.512 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61 | -35.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M693 T699 | M693-A697 PolarHBondContact O-N 3.41Å; A697-T699 VanDerWaalsContact C-N 3.29Å; A697-T699 PolarHBondContact O-N 2.99Å |
| 698 | L | 47 | Very low | 43.8 | Very low | 150 Ų | 150 | 108.2 Ų | 108.2 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -8.5 | 179.8 | -66 | 173.2 | 0 | 0 | 0 | 114.7 | H695 Q696 | H695-L698 PolarHBondContact O-N 2.86Å; Q696-L698 VanDerWaalsContact C-N 3.25Å; Q696-L698 PolarHBondContact O-N 3.1Å |
| 699 | T | 54.6 | Low | 44.3 | Very low | 110 Ų | 110 | 111.1 Ų | 111.1 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 7.7 | 175.8 | -168.7 | 0 | 0 | 0 | 0 | 113.9 | Q696 A697 | Q696-T699 WeakPolarHBondContact O-CG2 3.48Å; Q696-T699 PolarHBondContact O-N 3.27Å; A697-T699 VanDerWaalsContact C-N 3.29Å; A697-T699 PolarHBondContact O-N 2.99Å |
| 700 | M | 38.9 | Very low | 44.1 | Very low | 73 Ų | 73 | 110.2 Ų | 110.2 | 36% | 0.36 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -69.5 | 139 | 175.7 | -63.8 | -148.5 | -56.9 | 0 | 0 | 111.2 | I702 L713 | M700-I702 PolarHBondContact O-N 2.7Å; M700-I702 VanDerWaalsContact O-N 3.09Å; M700-L713 HydrophobicContact CE-CD2 3.69Å |
| 701 | P | 39.9 | Very low | 44.3 | Very low | 114 Ų | 114 | 109.5 Ų | 109.5 | 74% | 0.74 | 60% | 0.602 | S | S | * | * | | | trans | -68.4 | 109.8 | -178.8 | 27.3 | -34 | 0 | 0 | 0 | 110.8 | Q703 | P701-Q703 PolarHBondContact O-N 2.78Š|
| 702 | I | 43.1 | Very low | 44.4 | Very low | 133 Ų | 133 | 111.3 Ų | 111.3 | 68% | 0.682 | 60% | 0.603 | S | S | * | * | | | trans | -72.3 | 95.7 | 177.9 | -54.8 | 176.4 | 0 | 0 | 0 | 108.9 | M700 Q704 | M700-I702 PolarHBondContact O-N 2.7Å; M700-I702 VanDerWaalsContact O-N 3.09Å; I702-Q704 VanDerWaalsContact C-N 3.28Å; I702-Q704 PolarHBondContact O-N 2.69Å |
| 703 | Q | 42.8 | Very low | 44.1 | Very low | 146 Ų | 146 | 113.5 Ų | 113.5 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | | | trans | -73.8 | 82.2 | 169.5 | -75.8 | -75.4 | 12 | 0 | 0 | 109.5 | P701 K705 | P701-Q703 PolarHBondContact O-N 2.78Å; Q703-K705 PolarHBondContact O-N 2.74Å; Q703-K705 VanDerWaalsContact O-N 3.09Å |
| 704 | Q | 38.9 | Very low | 44.5 | Very low | 159 Ų | 159 | 112.8 Ų | 112.8 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | | | trans | -69.5 | 103.8 | 174.4 | -173.9 | 174.4 | 6.8 | 0 | 0 | 109.5 | I702 E706 | I702-Q704 VanDerWaalsContact C-N 3.28Å; I702-Q704 PolarHBondContact O-N 2.69Å; Q704-E706 PolarHBondContact O-N 2.86Å; Q704-E706 VanDerWaalsContact O-N 3.17Å |
| 705 | K | 43.5 | Very low | 44.8 | Very low | 129 Ų | 129 | 111.6 Ų | 111.6 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | | | trans | -71.2 | 110.8 | 178.2 | -174.4 | -172.4 | 172.7 | -162.3 | 0 | 110.1 | Q703 G707 T708 | Q703-K705 PolarHBondContact O-N 2.74Å; Q703-K705 VanDerWaalsContact O-N 3.09Å; K705-G707 PolarHBondContact O-N 3.24Å; K705-T708 PolarHBondContact O-N 3.27Å |
| 706 | E | 40.9 | Very low | 45.1 | Very low | 189 Ų | 189 | 111.4 Ų | 111.4 | 88% | 0.883 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.7 | 129.2 | 177.2 | -148.4 | 94.6 | -125.3 | 0 | 0 | 112 | Q704 T708 | Q704-E706 PolarHBondContact O-N 2.86Å; Q704-E706 VanDerWaalsContact O-N 3.17Å; E706-T708 VanDerWaalsContact C-N 3.32Å; E706-T708 PolarHBondContact O-N 2.9Å |
| 707 | G | 45.1 | Very low | 45.3 | Very low | 90 Ų | 90 | 113.8 Ų | 113.8 | 93% | 0.928 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.8 | 2.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | K705 | K705-G707 PolarHBondContact O-N 3.24Š|
| 708 | T | 44.3 | Very low | 45.7 | Very low | 47 Ų | 47 | 114.5 Ų | 114.5 | 29% | 0.288 | 62% | 0.618 | S | S | . | * | | | trans | -117.2 | 141.7 | 177.7 | -34.1 | 0 | 0 | 0 | 0 | 111.1 | K705 E706 D710 | K705-T708 PolarHBondContact O-N 3.27Å; E706-T708 VanDerWaalsContact C-N 3.32Å; E706-T708 PolarHBondContact O-N 2.9Å; T708-D710 HydrophobicContact CG2-CB 3.94Å; T708-D710 VanDerWaalsContact CG2-OD2 3.23Å; T708-D710 WeakPolarHBondContact CG2-OD2 3.27Å; T708-D710 PolarHBondContact O-N 2.69Å |
| 709 | K | 45.8 | Very low | 46.3 | Very low | 163 Ų | 163 | 111.1 Ų | 111.1 | 71% | 0.709 | 60% | 0.603 | S | S | * | * | | | trans | -76.7 | -8 | 172.9 | -78.2 | -166.2 | -179.6 | -172.6 | 0 | 113.4 | N754 | K709-N754 PolarHBondContact NZ-OD1 2.86Š|
| 710 | D | 40.3 | Very low | 46.6 | Very low | 64 Ų | 64 | 112.3 Ų | 112.3 | 34% | 0.342 | 61% | 0.606 | S | S | . | * | | | trans | -80.4 | 124.3 | -168.5 | -56.5 | -23.7 | 0 | 0 | 0 | 112.3 | T708 | T708-D710 HydrophobicContact CG2-CB 3.94Å; T708-D710 VanDerWaalsContact CG2-OD2 3.23Å; T708-D710 WeakPolarHBondContact CG2-OD2 3.27Å; T708-D710 PolarHBondContact O-N 2.69Å |
| 711 | L | 41.7 | Very low | 47.7 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | | | trans | -81.1 | 114.4 | 166.8 | -99.3 | 68.6 | 0 | 0 | 0 | 110 | | |
| 712 | I | 48.4 | Very low | 48.6 | Very low | 91 Ų | 91 | 112.8 Ų | 112.8 | 47% | 0.467 | 60% | 0.6 | S | S | . | * | | | trans | -94.3 | 108.6 | 177.2 | -56.5 | 177.6 | 0 | 0 | 0 | 109.6 | T714 | I712-T714 PolarHBondContact O-N 2.76Š|
| 713 | L | 40.7 | Very low | 49.1 | Very low | 126 Ų | 126 | 110.5 Ų | 110.5 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | | | trans | -92.1 | 84.9 | 176.2 | -76 | 165.4 | 0 | 0 | 0 | 111.1 | M700 A715 | M700-L713 HydrophobicContact CE-CD2 3.69Å; L713-A715 PolarHBondContact O-N 3.02Å |
| 714 | T | 51.2 | Low | 49.8 | Very low | 88 Ų | 88 | 106.1 Ų | 106.1 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | | | trans | -74.7 | 85.3 | 179.7 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | I712 N716 | I712-T714 PolarHBondContact O-N 2.76Å; T714-N716 PolarHBondContact O-N 3.14Å |
| 715 | A | 51.1 | Low | 50.5 | Low | 34 Ų | 34 | 106.1 Ų | 106.1 | 28% | 0.281 | 57% | 0.565 | S | S | . | * | | | trans | -87.5 | 95.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L713 L718 | L713-A715 PolarHBondContact O-N 3.02Å; A715-L718 HydrophobicContact CB-CD1 3.71Å; A715-L718 HydrophobicContact CB-CG 4.33Å |
| 716 | N | 52.5 | Low | 50.9 | Low | 133 Ų | 133 | 101.8 Ų | 101.8 | 71% | 0.711 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 147.9 | 174.7 | -63.6 | -21.4 | 0 | 0 | 0 | 111.6 | T714 L718 | T714-N716 PolarHBondContact O-N 3.14Å; N716-L718 PolarHBondContact O-N 3.43Å |
| 717 | N | 53.5 | Low | 51.2 | Low | 166 Ų | 166 | 97 Ų | 97 | 89% | 0.888 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 27 | 172.7 | -69 | -17.2 | 0 | 0 | 0 | 117.6 | | |
| 718 | L | 54.4 | Low | 51.4 | Low | 77 Ų | 77 | 100.1 Ų | 100.1 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | | | trans | -85.6 | 128.4 | 162.6 | -65.8 | 178.9 | 0 | 0 | 0 | 110.7 | A715 N716 Q722 R723 | A715-L718 HydrophobicContact CB-CD1 3.71Å; A715-L718 HydrophobicContact CB-CG 4.33Å; N716-L718 PolarHBondContact O-N 3.43Å; L718-Q722 HydrophobicContact CB-CB 4.36Å; L718-Q722 HydrophobicContact CD2-CB 4.06Å; L718-R723 HydrophobicContact CB-CB 4.45Å; L718-R723 HydrophobicContact CB-CG 4.46Å |
| 719 | T | 60.5 | Low | 51.6 | Low | 79 Ų | 79 | 102.1 Ų | 102.1 | 49% | 0.485 | 54% | 0.541 | S | S | . | . | | | trans | -64.8 | 157 | 165.6 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | D721 Q722 R723 | T719-D721 PolarHBondContact O-N 3.31Å; T719-D721 VanDerWaalsContact O-N 3.17Å; T719-Q722 PolarHBondContact O-N 2.86Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.36Å; T719-Q722 PolarHBondContact OG1-N 2.86Å; T719-Q722 PolarHBondContact OG1-OE1 3.39Å; T719-R723 PolarHBondContact O-N 3.31Å |
| 720 | N | 60.6 | Low | 51.2 | Low | 135 Ų | 135 | 101.7 Ų | 101.7 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.9 | -36.4 | 179.6 | -71.5 | -25.1 | 0 | 0 | 0 | 113 | R723 A724 | N720-R723 PolarHBondContact O-N 3.32Å; N720-A724 WeakPolarHBondContact O-CB 3.43Å; N720-A724 PolarHBondContact O-N 3.12Å |
| 721 | D | 62.2 | Low | 51.1 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -46.9 | 176.1 | -158.1 | -87.4 | 0 | 0 | 0 | 111.6 | T719 R723 A724 R725 | T719-D721 PolarHBondContact O-N 3.31Å; T719-D721 VanDerWaalsContact O-N 3.17Å; D721-R723 PolarHBondContact O-N 3.5Å; D721-A724 PolarHBondContact O-N 3.12Å; D721-R725 WeakPolarHBondContact O-CB 3.32Å; D721-R725 VanDerWaalsContact O-CG 3.27Å; D721-R725 WeakPolarHBondContact O-CG 3.26Å; D721-R725 PolarHBondContact O-N 3.02Å; D721-R725 WeakPolarHBondContact OD1-CD 3.34Å; D721-R725 IonicContact OD1-NH1 3.47Å; D721-R725 PolarHBondContact OD1-NH1 3.39Å |
| 722 | Q | 58.8 | Low | 51.1 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 45% | 0.453 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -37 | 174.6 | -67.3 | 165.9 | -54.6 | 0 | 0 | 112.3 | L718 T719 R725 G726 | L718-Q722 HydrophobicContact CB-CB 4.36Å; L718-Q722 HydrophobicContact CD2-CB 4.06Å; T719-Q722 PolarHBondContact O-N 2.86Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.36Å; T719-Q722 PolarHBondContact OG1-N 2.86Å; T719-Q722 PolarHBondContact OG1-OE1 3.39Å; Q722-R725 PolarHBondContact O-N 3.16Å; Q722-G726 PolarHBondContact O-N 3.08Å |
| 723 | R | 54.9 | Low | 50.6 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 33% | 0.325 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.9 | -42.3 | 177.3 | -139.8 | 172.8 | -173.1 | 174.1 | 2.9 | 110.3 | L718 T719 N720 D721 M727 D746 | L718-R723 HydrophobicContact CB-CB 4.45Å; L718-R723 HydrophobicContact CB-CG 4.46Å; T719-R723 PolarHBondContact O-N 3.31Å; N720-R723 PolarHBondContact O-N 3.32Å; D721-R723 PolarHBondContact O-N 3.5Å; R723-M727 PolarHBondContact O-N 3.15Å; R723-D746 IonicContact NH1-OD1 3.66Å; R723-D746 IonicContact NH2-OD1 3.84Å; R723-D746 PolarHBondContact NH2-OD1 3.23Å |
| 724 | A | 56.2 | Low | 50.5 | Low | 53 Ų | 53 | 108.3 Ų | 108.3 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.3 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N720 D721 G726 M727 Q728 | N720-A724 WeakPolarHBondContact O-CB 3.43Å; N720-A724 PolarHBondContact O-N 3.12Å; D721-A724 PolarHBondContact O-N 3.12Å; A724-G726 PolarHBondContact O-N 3.38Å; A724-M727 PolarHBondContact O-N 3.1Å; A724-Q728 PolarHBondContact O-N 3.37Å; A724-Q728 VanDerWaalsContact O-N 3.12Å |
| 725 | R | 53.2 | Low | 50.1 | Low | 160 Ų | 160 | 108.8 Ų | 108.8 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.4 | -28.8 | -179.2 | -67.7 | 171.3 | 72.7 | 172.8 | 4.6 | 113.1 | D721 Q722 Q728 S729 | D721-R725 WeakPolarHBondContact O-CB 3.32Å; D721-R725 VanDerWaalsContact O-CG 3.27Å; D721-R725 WeakPolarHBondContact O-CG 3.26Å; D721-R725 PolarHBondContact O-N 3.02Å; D721-R725 WeakPolarHBondContact OD1-CD 3.34Å; D721-R725 IonicContact OD1-NH1 3.47Å; D721-R725 PolarHBondContact OD1-NH1 3.39Å; Q722-R725 PolarHBondContact O-N 3.16Å; R725-Q728 PolarHBondContact O-N 3.35Å; R725-S729 PolarHBondContact O-OG 3.43Å |
| 726 | G | 52.8 | Low | 49.5 | Very low | 37 Ų | 37 | 114 Ų | 114 | 38% | 0.381 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.9 | -43.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q722 A724 S729 | Q722-G726 PolarHBondContact O-N 3.08Å; A724-G726 PolarHBondContact O-N 3.38Å; G726-S729 WeakPolarHBondContact O-CB 3.27Å; G726-S729 PolarHBondContact O-N 3.02Å |
| 727 | M | 46.2 | Very low | 48.7 | Very low | 88 Ų | 88 | 110 Ų | 110 | 43% | 0.433 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67 | -35.2 | 176.9 | -73.1 | -173.9 | 163 | 0 | 0 | 113.1 | R723 A724 S729 F730 Y748 | R723-M727 PolarHBondContact O-N 3.15Å; A724-M727 PolarHBondContact O-N 3.1Å; M727-S729 PolarHBondContact O-N 3.5Å; M727-S729 VanDerWaalsContact O-N 3.15Å; M727-F730 PolarHBondContact O-N 3.13Å; M727-Y748 HydrophobicContact CE-CD1 4.39Å |
| 728 | Q | 50.3 | Low | 48 | Very low | 157 Ų | 157 | 109.2 Ų | 109.2 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -14.5 | 174 | -72.9 | -179.8 | -13.1 | 0 | 0 | 114.4 | A724 R725 F730 | A724-Q728 PolarHBondContact O-N 3.37Å; A724-Q728 VanDerWaalsContact O-N 3.12Å; R725-Q728 PolarHBondContact O-N 3.35Å; Q728-F730 VanDerWaalsContact C-N 3.3Å; Q728-F730 PolarHBondContact O-N 3.48Å |
| 729 | S | 47.5 | Very low | 47.1 | Very low | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -13.9 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | R725 G726 M727 H731 | R725-S729 PolarHBondContact O-OG 3.43Å; G726-S729 WeakPolarHBondContact O-CB 3.27Å; G726-S729 PolarHBondContact O-N 3.02Å; M727-S729 PolarHBondContact O-N 3.5Å; M727-S729 VanDerWaalsContact O-N 3.15Å; S729-H731 PolarHBondContact O-N 3.43Å |
| 730 | F | 38.9 | Very low | 46 | Very low | 155 Ų | 155 | 121.4 Ų | 121.4 | 68% | 0.68 | 63% | 0.63 | S | S | * | * | | | trans | -88.3 | 85.1 | 173.3 | -75.2 | -86.3 | 0 | 0 | 0 | 110.5 | M727 Q728 I732 | M727-F730 PolarHBondContact O-N 3.13Å; Q728-F730 VanDerWaalsContact C-N 3.3Å; Q728-F730 PolarHBondContact O-N 3.48Å; F730-I732 HydrophobicContact CB-CD1 4.29Å; F730-I732 HydrophobicContact CB-CG1 4.35Å; F730-I732 HydrophobicContact CD1-CD1 4.32Å; F730-I732 PolarHBondContact O-N 3.26Å |
| 731 | H | 37.7 | Very low | 45 | Very low | 193 Ų | 193 | 119.6 Ų | 119.6 | 89% | 0.894 | 63% | 0.625 | S | S | * | * | | | trans | -74.3 | 65.3 | 173.4 | -166.8 | -106.1 | 0 | 0 | 0 | 111.3 | S729 | S729-H731 PolarHBondContact O-N 3.43Š|
| 732 | I | 41 | Very low | 43.7 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | | | trans | -92.6 | 131.5 | 171.5 | -58.5 | 174.6 | 0 | 0 | 0 | 106.8 | F730 | F730-I732 HydrophobicContact CB-CD1 4.29Å; F730-I732 HydrophobicContact CB-CG1 4.35Å; F730-I732 HydrophobicContact CD1-CD1 4.32Å; F730-I732 PolarHBondContact O-N 3.26Å |
| 733 | P | 38 | Very low | 42.9 | Very low | 89 Ų | 89 | 128 Ų | 128 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | | | trans | -60.5 | 148.9 | 179.4 | 25.4 | -34.6 | 0 | 0 | 0 | 111.4 | T735 | P733-T735 PolarHBondContact O-N 3.49Š|
| 734 | P | 39.3 | Very low | 42.3 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | | | trans | -77.7 | 56.2 | -173.1 | 33 | -37.4 | 0 | 0 | 0 | 113.3 | T736 | P734-T736 PolarHBondContact O-N 3.38Š|
| 735 | T | 42.1 | Very low | 41.7 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | | | trans | -83.6 | 109.5 | 171.1 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | P733 G737 | P733-T735 PolarHBondContact O-N 3.49Å; T735-G737 PolarHBondContact O-N 3.45Å; T735-G737 VanDerWaalsContact O-N 3.17Å |
| 736 | T | 39.6 | Very low | 41 | Very low | 143 Ų | 143 | 127 Ų | 127 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 50.7 | 43.6 | 156.2 | 49.4 | 0 | 0 | 0 | 0 | 117.8 | P734 | P734-T736 PolarHBondContact O-N 3.38Š|
| 737 | G | 35.3 | Very low | 40.3 | Very low | 49 Ų | 49 | 130.5 Ų | 130.5 | 51% | 0.505 | 70% | 0.695 | S | S | . | * | | | trans | -120 | 111.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T735 W739 | T735-G737 PolarHBondContact O-N 3.45Å; T735-G737 VanDerWaalsContact O-N 3.17Å; G737-W739 PolarHBondContact O-N 3.38Å; G737-W739 VanDerWaalsContact O-N 3.16Å |
| 738 | I | 38.9 | Very low | 40 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | | | trans | -80.4 | 94.8 | 175.4 | -55.8 | 179.4 | 0 | 0 | 0 | 110.2 | R740 | I738-R740 HydrophobicContact CG2-CG 4.13Å; I738-R740 PolarHBondContact O-N 3.19Å |
| 739 | W | 34.5 | Very low | 39.6 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 75% | 0.746 | 68% | 0.68 | S | S | * | * | | | trans | -77.4 | 111 | 173.4 | -68.8 | 88.3 | 0 | 0 | 0 | 111.3 | G737 | G737-W739 PolarHBondContact O-N 3.38Å; G737-W739 VanDerWaalsContact O-N 3.16Å |
| 740 | R | 38.2 | Very low | 39.3 | Very low | 215 Ų | 215 | 128 Ų | 128 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | | | trans | -116 | 115.4 | 168.7 | -69 | -172 | -173.8 | -103.5 | 3.5 | 110.6 | I738 R742 | I738-R740 HydrophobicContact CG2-CG 4.13Å; I738-R740 PolarHBondContact O-N 3.19Å; R740-R742 PolarHBondContact O-N 3.31Å |
| 741 | P | 39.3 | Very low | 39.1 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -71 | 118.6 | 170.5 | 28.8 | -32.2 | 0 | 0 | 0 | 109.6 | Y748 | P741-Y748 WeakPolarHBondContact CA-OH 3.47Å; P741-Y748 HydrophobicContact CB-CE1 3.88Å; P741-Y748 WeakPolarHBondContact CB-OH 3.37Å |
| 742 | R | 34.4 | Very low | 39 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 76% | 0.758 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 116.8 | 169.6 | -157.4 | -166.3 | -64.3 | -109 | 8.2 | 108.5 | R740 G744 Y748 | R740-R742 PolarHBondContact O-N 3.31Å; R742-G744 PolarHBondContact O-N 2.92Å; R742-Y748 PolarHBondContact N-OH 3.21Å; R742-Y748 WeakPolarHBondContact O-CE2 3.36Å; R742-Y748 PolarHBondContact O-OH 3.22Å |
| 743 | I | 42.3 | Very low | 39 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 87% | 0.872 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -77 | 117.3 | 174.5 | -59.3 | 174.4 | 0 | 0 | 0 | 107.6 | | |
| 744 | G | 42.8 | Very low | 39.2 | Very low | 47 Ų | 47 | 123.7 Ų | 123.7 | 49% | 0.485 | 66% | 0.659 | S | S | . | * | S | Bend | trans | 121.6 | 129.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R742 | R742-G744 PolarHBondContact O-N 2.92Š|
| 745 | S | 44.2 | Very low | 39.2 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 48.9 | 79.9 | 169 | 60 | 0 | 0 | 0 | 0 | 117.5 | V747 | S745-V747 VanDerWaalsContact C-N 3.32Å; S745-V747 PolarHBondContact O-N 3.28Å |
| 746 | D | 38.2 | Very low | 39 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 36.5 | 33.8 | 142.2 | -64.7 | -56.2 | 0 | 0 | 0 | 122 | R723 | R723-D746 IonicContact NH1-OD1 3.66Å; R723-D746 IonicContact NH2-OD1 3.84Å; R723-D746 PolarHBondContact NH2-OD1 3.23Å |
| 747 | V | 37.8 | Very low | 39 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | | | trans | -128 | 114.1 | 164.9 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | S745 | S745-V747 VanDerWaalsContact C-N 3.32Å; S745-V747 PolarHBondContact O-N 3.28Å |
| 748 | Y | 39.2 | Very low | 39.2 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 38% | 0.38 | 68% | 0.681 | S | S | . | * | | | trans | -135.9 | 143.9 | 177 | -89.7 | -104.7 | 0 | 0 | 0 | 110.2 | M727 P741 R742 | M727-Y748 HydrophobicContact CE-CD1 4.39Å; P741-Y748 WeakPolarHBondContact CA-OH 3.47Å; P741-Y748 HydrophobicContact CB-CE1 3.88Å; P741-Y748 WeakPolarHBondContact CB-OH 3.37Å; R742-Y748 PolarHBondContact N-OH 3.21Å; R742-Y748 WeakPolarHBondContact O-CE2 3.36Å; R742-Y748 PolarHBondContact O-OH 3.22Å |
| 749 | A | 42.6 | Very low | 39.2 | Very low | 57 Ų | 57 | 131.6 Ų | 131.6 | 47% | 0.471 | 68% | 0.675 | S | S | . | * | | | trans | 64.1 | 112.6 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 750 | I | 40.4 | Very low | 39.5 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 65% | 0.651 | 67% | 0.671 | S | S | * | * | | | trans | -111.8 | 117.7 | 158.8 | -61.6 | 172.6 | 0 | 0 | 0 | 105.2 | | |
| 751 | W | 34.7 | Very low | 39.6 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 73% | 0.731 | 66% | 0.662 | S | S | * | * | | | trans | -101.8 | 110.8 | 177.3 | -179.3 | 60.4 | 0 | 0 | 0 | 110.1 | S753 | W751-S753 WeakPolarHBondContact CH2-OG 3.44Å; W751-S753 PolarHBondContact O-N 3.34Å |
| 752 | N | 36.1 | Very low | 39.6 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | | | trans | -94.6 | 96.3 | -180 | -171.1 | -5.8 | 0 | 0 | 0 | 110.7 | N754 | N752-N754 PolarHBondContact O-N 3.09Å; N752-N754 WeakPolarHBondContact OD1-CB 3.46Å; N752-N754 VanDerWaalsContact OD1-CG 3.22Å; N752-N754 PolarHBondContact OD1-N 3.09Å; N752-N754 PolarHBondContact OD1-ND2 3.49Å |
| 753 | S | 41.1 | Very low | 39.9 | Very low | 51 Ų | 51 | 118.4 Ų | 118.4 | 36% | 0.357 | 66% | 0.658 | S | S | . | * | | | trans | -72.2 | 22.1 | -178.5 | -173.5 | 0 | 0 | 0 | 0 | 115 | W751 Q755 | W751-S753 WeakPolarHBondContact CH2-OG 3.44Å; W751-S753 PolarHBondContact O-N 3.34Å; S753-Q755 VanDerWaalsContact C-N 3.28Å; S753-Q755 PolarHBondContact O-N 3.38Å |
| 754 | N | 42.3 | Very low | 39.8 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 57% | 0.572 | 64% | 0.641 | S | S | * | * | | | trans | -85.4 | 17.5 | -175.3 | -76.8 | -0.1 | 0 | 0 | 0 | 114.5 | K709 N752 | K709-N754 PolarHBondContact NZ-OD1 2.86Å; N752-N754 PolarHBondContact O-N 3.09Å; N752-N754 WeakPolarHBondContact OD1-CB 3.46Å; N752-N754 VanDerWaalsContact OD1-CG 3.22Å; N752-N754 PolarHBondContact OD1-N 3.09Å; N752-N754 PolarHBondContact OD1-ND2 3.49Å |
| 755 | Q | 38.7 | Very low | 39.5 | Very low | 182 Ų | 182 | 120.1 Ų | 120.1 | 85% | 0.85 | 65% | 0.654 | S | S | * | * | | | trans | -131.9 | 96.6 | 163.8 | -71.5 | -144.3 | 87.8 | 0 | 0 | 110.2 | S753 | S753-Q755 VanDerWaalsContact C-N 3.28Å; S753-Q755 PolarHBondContact O-N 3.38Å |
| 756 | C | 38.8 | Very low | 39.1 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 100% | 1.142 | 65% | 0.648 | S | S | * | * | | | trans | -145.7 | 0 | 167 | -74.3 | 0 | 0 | 0 | 0 | 107.3 | | |