| 1 | M | 34.5 | Very low | 35.3 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 100% | 1.197 | 80% | 0.796 | S | S | * | * | | | | 0 | 143 | 0 | -61.8 | 171.4 | 82.8 | 0 | 0 | 106.9 | | |
| 2 | S | 35.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -54.8 | 131.1 | -156.6 | -47.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 3 | S | 35.1 | Very low | 35 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | | | cis | 79.6 | 130.4 | 37.7 | 78.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 4 | H | 38.8 | Very low | 34.9 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | cis | -162.3 | 143.7 | -17 | -108 | -71.6 | 0 | 0 | 0 | 107.4 | | |
| 5 | H | 38.5 | Very low | 34.7 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 31.2 | 159.8 | 134.4 | -68.9 | -120.9 | 0 | 0 | 0 | 123.1 | | |
| 6 | S | 31.9 | Very low | 34.6 | Very low | 82 Ų | 82 | 144.4 Ų | 144.4 | 57% | 0.573 | 79% | 0.789 | S | S | * | * | | | cis | 173.6 | 154.3 | -26.2 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 7 | L | 35.5 | Very low | 34.8 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | 70.9 | 147.6 | 163.7 | -58.6 | 165.2 | 0 | 0 | 0 | 116.4 | | |
| 8 | S | 30 | Very low | 34.8 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | cis | 106.3 | 163.1 | 33.1 | -107.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 9 | P | 41.5 | Very low | 35.3 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | | -133.5 | -177.8 | -125.7 | 43.2 | -26.1 | 0 | 0 | 0 | 117.2 | | |
| 10 | R | 33.4 | Very low | 35.3 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | 66 | 131.4 | 155 | -88.1 | -178.9 | 166.4 | -174.5 | -3.1 | 119.3 | | |
| 11 | K | 33.2 | Very low | 35.6 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | 64.7 | 123.1 | 159.8 | -57.8 | 176.4 | 176.6 | -174.7 | 0 | 117.7 | | |
| 12 | S | 33.8 | Very low | 35.9 | Very low | 127 Ų | 127 | 143 Ų | 143 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | | -165.2 | 173.8 | 129.1 | -156.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 13 | C | 33.5 | Very low | 36.2 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | | | trans | -90.6 | 149.4 | -164.3 | -58.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 14 | C | 32.6 | Very low | 36.4 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | | 56.6 | 146.4 | 129.2 | -60.7 | 0 | 0 | 0 | 0 | 124 | | |
| 15 | N | 32.8 | Very low | 36.5 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | trans | 91.5 | 112.4 | 146.1 | -67.3 | -5.4 | 0 | 0 | 0 | 121.8 | | |
| 16 | Q | 33.2 | Very low | 36.7 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | 65.2 | 103.5 | 124 | -62.2 | 172.9 | -14.8 | 0 | 0 | 120.5 | | |
| 17 | S | 36.9 | Very low | 37 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -158.7 | 112.6 | 136 | 59.9 | 0 | 0 | 0 | 0 | 113 | | |
| 18 | H | 36.2 | Very low | 37.1 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | trans | -66.6 | 169.8 | 151.7 | -86.6 | -62.2 | 0 | 0 | 0 | 109.6 | | |
| 19 | P | 44 | Very low | 37.3 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | | | cis | -151.5 | -179.7 | 36.1 | 44.1 | -22.8 | 0 | 0 | 0 | 119.5 | | |
| 20 | N | 35.2 | Very low | 36.9 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | 20.5 | 146.8 | 143.6 | -59.6 | -26 | 0 | 0 | 0 | 122 | | |
| 21 | I | 41.1 | Very low | 36.8 | Very low | 148 Ų | 148 | 138 Ų | 138 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | | 178.8 | 125.1 | 105 | -92.5 | 160.5 | 0 | 0 | 0 | 112.3 | | |
| 22 | R | 40.3 | Very low | 36.9 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | | | trans | 61.3 | 154.4 | 154.6 | -74.3 | -179.8 | 177.4 | 169.3 | -1.9 | 120 | | |
| 23 | S | 42 | Very low | 36.9 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | | | cis | -176.6 | 158.2 | -15.4 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 24 | H | 39.9 | Very low | 36.7 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | trans | 66.7 | 141.3 | 157.3 | -66.8 | -68.5 | 0 | 0 | 0 | 116.9 | | |
| 25 | E | 41.2 | Very low | 36.6 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | | | cis | -162 | 166.7 | -8 | -140.2 | 154.1 | -153.9 | 0 | 0 | 114.3 | | |
| 26 | H | 43.8 | Very low | 36.4 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 63.7 | 132.8 | 163.9 | -60.1 | -52.6 | 0 | 0 | 0 | 119.3 | | |
| 27 | S | 36.2 | Very low | 36.2 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | cis | 91.1 | 134.2 | 34 | 174.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 28 | C | 38.3 | Very low | 35.9 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | cis | -172.8 | -176.8 | -16.6 | -107.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 29 | N | 35.4 | Very low | 35.6 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | | | cis | -157.9 | 163.7 | 2.7 | -140.6 | 85.3 | 0 | 0 | 0 | 110 | | |
| 30 | S | 31.3 | Very low | 35 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 72% | 0.719 | S | S | * | * | | | trans | 64.2 | 139.9 | 151.8 | -75.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 31 | E | 32.4 | Very low | 35 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | | 76.1 | 136.7 | 64.5 | -130.1 | -176.6 | 164.5 | 0 | 0 | 111.1 | | |
| 32 | I | 35.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 120.2 Ų | 120.2 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | | | cis | -150.6 | 158.7 | 38.9 | -71.4 | 167.9 | 0 | 0 | 0 | 112.3 | | |
| 33 | I | 33.1 | Very low | 34.4 | Very low | 161 Ų | 161 | 112.8 Ų | 112.8 | 83% | 0.826 | 66% | 0.658 | S | S | * | * | | | trans | -29.6 | 145.7 | 161.1 | -54.4 | 151.4 | 0 | 0 | 0 | 116.7 | | |
| 34 | G | 30.2 | Very low | 34 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 78% | 0.784 | 64% | 0.643 | S | S | * | * | | | trans | -169.3 | 125.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 35 | V | 31 | Very low | 33.9 | Very low | 131 Ų | 131 | 111.1 Ų | 111.1 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | | | trans | -101.9 | 158.4 | 178.4 | -169.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 36 | S | 27.9 | Very low | 33.7 | Very low | 103 Ų | 103 | 111.1 Ų | 111.1 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | | | trans | 75.9 | 154.8 | 169.5 | -49.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 37 | T | 28.7 | Very low | 33.2 | Very low | 127 Ų | 127 | 108 Ų | 108 | 78% | 0.779 | 65% | 0.645 | S | S | * | * | | | cis | -146.5 | -172.9 | 3.9 | -17.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 38 | S | 30.2 | Very low | 33.2 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | | | trans | -44.9 | 171.2 | 152.4 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 39 | S | 30.1 | Very low | 33.4 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | | | cis | -171.6 | 161.3 | 31.5 | -14.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 40 | E | 32.6 | Very low | 33.3 | Very low | 149 Ų | 149 | 106.6 Ų | 106.6 | 70% | 0.696 | 62% | 0.619 | S | S | * | * | | | trans | 69.7 | 152.2 | 144 | -73.1 | -153 | 127.8 | 0 | 0 | 114.9 | K1857 | E40-K1857 IonicContact OE1-NZ 2.65Å; E40-K1857 PolarHBondContact OE1-NZ 3.16Å |
| 41 | I | 33.8 | Very low | 33.8 | Very low | 67 Ų | 67 | 105.2 Ų | 105.2 | 34% | 0.344 | 61% | 0.607 | S | S | . | * | | | cis | -162.3 | 152.6 | 6.5 | -128.5 | -176.1 | 0 | 0 | 0 | 111.3 | F1854 | I41-F1854 HydrophobicContact CG2-CE1 4.42Å; I41-F1854 WeakPolarHBondContact O-CE2 3.15Å; I41-F1854 VanDerWaalsContact O-CZ 3.3Å; I41-F1854 WeakPolarHBondContact O-CZ 3.37Å |
| 42 | N | 34.7 | Very low | 34 | Very low | 41 Ų | 41 | 103.5 Ų | 103.5 | 22% | 0.219 | 60% | 0.602 | C | S | . | * | | | trans | 80.4 | 120.9 | 140.4 | -72 | 25.8 | 0 | 0 | 0 | 121.7 | F1854 V1855 N1856 | N42-F1854 WeakPolarHBondContact O-CA 3.27Å; N42-F1854 WeakPolarHBondContact O-CD2 3.46Å; N42-F1854 WeakPolarHBondContact O-CG 3.29Å; N42-V1855 HydrophobicContact CB-CB 4.27Å; N42-V1855 HydrophobicContact CB-CG2 3.82Å; N42-V1855 WeakPolarHBondContact CB-O 3.26Å; N42-V1855 VanDerWaalsContact CG-O 3.25Å; N42-V1855 WeakPolarHBondContact ND2-CG2 3.37Å; N42-V1855 PolarHBondContact ND2-O 3.47Å; N42-N1856 VanDerWaalsContact CA-CB 3.44Å; N42-N1856 HydrophobicContact CB-CB 3.64Å; N42-N1856 PolarHBondContact N-ND2 3.13Å; N42-N1856 WeakPolarHBondContact OD1-CB 3.22Å; N42-N1856 VanDerWaalsContact OD1-CG 3.26Å; N42-N1856 PolarHBondContact OD1-ND2 3.42Å |
| 43 | S | 34.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 101.7 Ų | 101.7 | 54% | 0.538 | 59% | 0.59 | S | S | . | * | | | trans | -69.7 | -103.3 | -167.6 | 48.1 | 0 | 0 | 0 | 0 | 122.8 | F1854 V1855 N1856 | S43-F1854 CarbonylContact C-O 3.57Å; S43-F1854 CarbonylContact O-C 3.24Å; S43-F1854 WeakPolarHBondContact O-CA 3.23Å; S43-V1855 PolarHBondContact O-N 3.25Å; S43-N1856 VanDerWaalsContact OG-CA 3.28Å; S43-N1856 WeakPolarHBondContact OG-CA 3.37Å; S43-N1856 PolarHBondContact OG-N 3.01Å |
| 44 | S | 34.3 | Very low | 34.7 | Very low | 36 Ų | 36 | 100.9 Ų | 100.9 | 25% | 0.252 | 59% | 0.588 | S | S | . | * | | | cis | -163.6 | 147.6 | -11.7 | 64.2 | 0 | 0 | 0 | 0 | 113 | F1854 V1855 | S44-F1854 PolarHBondContact N-O 3.45Å; S44-F1854 PolarHBondContact OG-O 3.05Å; S44-V1855 VanDerWaalsContact N-N 3.11Å; S44-V1855 PolarHBondContact OG-N 2.7Å |
| 45 | H | 38.2 | Very low | 35.1 | Very low | 163 Ų | 163 | 103.6 Ų | 103.6 | 76% | 0.755 | 58% | 0.578 | S | S | * | * | | | trans | 70.1 | 136.7 | 162.8 | -58.2 | -61.4 | 0 | 0 | 0 | 120.1 | | |
| 46 | N | 35.1 | Very low | 35.8 | Very low | 133 Ų | 133 | 102.9 Ų | 102.9 | 71% | 0.711 | 58% | 0.576 | S | S | * | * | | | cis | -157.5 | 148.6 | 6 | -124.1 | 11.3 | 0 | 0 | 0 | 114.3 | | |
| 47 | S | 33.9 | Very low | 36.3 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | | | trans | 51.9 | 136.9 | 145.1 | 59.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 48 | E | 37.4 | Very low | 36.6 | Very low | 182 Ų | 182 | 102.6 Ų | 102.6 | 85% | 0.85 | 58% | 0.576 | S | S | * | * | | | cis | -153.6 | -159.9 | -8.9 | -124.1 | -174.4 | 127.2 | 0 | 0 | 111.8 | | |
| 49 | P | 40.9 | Very low | 36.9 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | | | trans | -83.4 | 174.2 | -156 | 36.1 | -31 | 0 | 0 | 0 | 114.3 | | |
| 50 | E | 35 | Very low | 37 | Very low | 54 Ų | 54 | 107.7 Ų | 107.7 | 25% | 0.252 | 60% | 0.596 | S | S | . | * | | | | -179.6 | 173.7 | 81.6 | -82.8 | -160.9 | 118.2 | 0 | 0 | 113.7 | T736 M737 D738 | E50-T736 HydrophobicContact CB-CG2 4.03Å; E50-T736 HydrophobicContact CG-CG2 4.17Å; E50-T736 WeakPolarHBondContact OE2-CB 3.46Å; E50-T736 WeakPolarHBondContact OE2-CG2 3.07Å; E50-M737 WeakPolarHBondContact OE1-CE 3.21Å; E50-M737 WeakPolarHBondContact OE2-CA 3.3Å; E50-M737 PolarHBondContact OE2-N 2.68Å; E50-D738 HydrophobicContact CB-CB 3.7Å; E50-D738 VanDerWaalsContact CD-N 3.26Å; E50-D738 HydrophobicContact CG-CB 4.13Å; E50-D738 PolarHBondContact OE1-N 3.02Å; E50-D738 WeakPolarHBondContact OE2-CB 3.4Å; E50-D738 PolarHBondContact OE2-N 3.13Å |
| 51 | V | 40 | Very low | 37 | Very low | 51 Ų | 51 | 105.4 Ų | 105.4 | 31% | 0.309 | 60% | 0.596 | S | S | . | * | | | | -111.5 | 176.1 | -64.2 | 163.5 | 0 | 0 | 0 | 0 | 109.5 | D738 P739 T740 K742 | V51-D738 HydrophobicContact CG2-CB 4.39Å; V51-D738 PolarHBondContact N-OD2 2.96Å; V51-P739 HydrophobicContact CB-CB 3.76Å; V51-P739 HydrophobicContact CG1-CB 3.52Å; V51-P739 HydrophobicContact CG2-CB 4.2Å; V51-T740 WeakPolarHBondContact CA-OG1 3.39Å; V51-T740 VanDerWaalsContact CB-OG1 3.29Å; V51-T740 WeakPolarHBondContact CB-OG1 3.4Å; V51-T740 PolarHBondContact N-OG1 3.34Å; V51-T740 PolarHBondContact O-OG1 3.46Å; V51-K742 PolarHBondContact O-NZ 3.23Å |
| 52 | I | 37 | Very low | 37.2 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | | | trans | -96.5 | 111.8 | 179.8 | -57.8 | 159.5 | 0 | 0 | 0 | 109.6 | | |
| 53 | E | 41.9 | Very low | 37.3 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 48% | 0.477 | 64% | 0.642 | S | S | . | * | | | trans | -93.1 | 135.3 | 151.7 | -139.4 | -174 | -170.3 | 0 | 0 | 108.2 | T740 L741 K742 | E53-T740 WeakPolarHBondContact CG-O 3.24Å; E53-L741 VanDerWaalsContact CD-N 3.35Å; E53-L741 VanDerWaalsContact OE2-C 3.26Å; E53-L741 WeakPolarHBondContact OE2-CA 3.46Å; E53-L741 PolarHBondContact OE2-N 2.93Å; E53-K742 HydrophobicContact CB-CB 3.89Å; E53-K742 WeakPolarHBondContact O-CB 3.45Å; E53-K742 PolarHBondContact OE2-N 3.39Å |
| 54 | D | 40.8 | Very low | 37.4 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | | | trans | -97.3 | 141.9 | -160.7 | -139.4 | -25.5 | 0 | 0 | 0 | 112.8 | P56 | D54-P56 WeakPolarHBondContact O-CD 3.4Š|
| 55 | K | 39 | Very low | 37.5 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 57% | 0.574 | 68% | 0.678 | S | S | * | * | | | trans | -108.9 | 100.9 | -173.3 | -165.1 | 178.4 | -171.7 | -177.2 | 0 | 111.3 | M744 | K55-M744 HydrophobicContact CD-CE 3.98Å; K55-M744 HydrophobicContact CD-SD 4.06Å; K55-M744 PolarHBondContact NZ-SD 3.01Å |
| 56 | P | 45.9 | Very low | 37.3 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135.4 | -174.9 | 25.4 | -33.7 | 0 | 0 | 0 | 112.2 | D54 | D54-P56 WeakPolarHBondContact O-CD 3.4Š|
| 57 | P | 39 | Very low | 37.3 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 151.3 | -176.2 | 33.4 | -35.9 | 0 | 0 | 0 | 112.7 | P59 | P57-P59 WeakPolarHBondContact O-CD 3.07Š|
| 58 | S | 35.2 | Very low | 37.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 122.3 | 171.9 | -46.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 59 | P | 36.3 | Very low | 36.9 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | | | trans | -106.2 | 113.8 | 174.3 | 31.2 | -17.1 | 0 | 0 | 0 | 111.6 | P57 | P57-P59 WeakPolarHBondContact O-CD 3.07Š|
| 60 | L | 32.5 | Very low | 36.4 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | | | trans | -107 | 127.3 | 172 | -122.2 | 174.1 | 0 | 0 | 0 | 109.9 | | |
| 61 | S | 32.7 | Very low | 36.3 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | 74.4 | 164.7 | 165.1 | -46.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 62 | L | 36.7 | Very low | 36 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | 75.2 | 117.5 | -180 | -53.4 | 173.4 | 0 | 0 | 0 | 114.4 | | |
| 63 | Q | 38 | Very low | 35.8 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | cis | 104.8 | 105.6 | 18.8 | -169.4 | 179.8 | -5.2 | 0 | 0 | 113.9 | | |
| 64 | Q | 35.7 | Very low | 35.8 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | 55.8 | 98.2 | 155.6 | -62.4 | 177.3 | -89.9 | 0 | 0 | 118.9 | | |
| 65 | D | 37 | Very low | 35.6 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | 171.5 | 149.4 | 113.6 | -82 | -16 | 0 | 0 | 0 | 107.8 | | |
| 66 | G | 32.5 | Very low | 35.3 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | 136.6 | 72 | 3.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 67 | V | 36.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -169.1 | 151.7 | 161.3 | 131.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 68 | F | 30.2 | Very low | 34.4 | Very low | 204 Ų | 204 | 140 Ų | 140 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | -87.2 | 134 | -179.9 | -79.1 | -112.1 | 0 | 0 | 0 | 113.5 | | |
| 69 | S | 32.8 | Very low | 34.5 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -158.6 | 118.6 | 142.6 | -79.4 | 0 | 0 | 0 | 0 | 104.6 | | |
| 70 | L | 30.8 | Very low | 34.2 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | | 55.5 | 132 | 66.3 | -149.1 | 89 | 0 | 0 | 0 | 111.5 | | |
| 71 | V | 31.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 86.6 | 131.2 | -161.6 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 72 | Q | 33.2 | Very low | 34 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | cis | -164.7 | 138.8 | -25.3 | -161.5 | 156.7 | -22.3 | 0 | 0 | 107.7 | | |
| 73 | S | 33 | Very low | 33.5 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.1 | 173.6 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 74 | P | 42.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149.6 | 162.9 | 28.2 | -32.6 | 0 | 0 | 0 | 109.7 | | |
| 75 | P | 38 | Very low | 33.1 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 153.6 | -150.3 | 32.6 | -37.1 | 0 | 0 | 0 | 115.1 | E77 | P75-E77 PolarHBondContact O-N 2.86Š|
| 76 | F | 30.8 | Very low | 32.9 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -76.2 | 109.2 | 148.8 | -75.2 | -87.7 | 0 | 0 | 0 | 108.2 | N78 | F76-N78 PolarHBondContact O-N 2.7Š|
| 77 | E | 36.5 | Very low | 32.7 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -77.9 | 104.3 | 177.2 | -155.9 | 155.2 | -118.9 | 0 | 0 | 109.3 | P75 | P75-E77 PolarHBondContact O-N 2.86Š|
| 78 | N | 30.6 | Very low | 32.3 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -108.4 | 92.2 | 177.6 | -78.6 | -78.7 | 0 | 0 | 0 | 109.7 | F76 | F76-N78 PolarHBondContact O-N 2.7Š|
| 79 | D | 36.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -119.6 | 108.8 | 159.9 | -83 | -43.9 | 0 | 0 | 0 | 108.1 | | |
| 80 | Q | 31 | Very low | 32.3 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | | 81.6 | 106.4 | 67.8 | -78.7 | -167.9 | 96.6 | 0 | 0 | 113.3 | | |
| 81 | L | 29.5 | Very low | 32.1 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | 68.2 | 139.8 | 154.8 | -48.7 | 169.9 | 0 | 0 | 0 | 114.8 | | |
| 82 | D | 31.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | cis | -141.3 | 158.5 | 25.8 | -129.3 | -26.8 | 0 | 0 | 0 | 113.1 | | |
| 83 | S | 26.8 | Very low | 32 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -101.7 | 109.8 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 84 | V | 32.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | | | trans | -133.3 | 122.1 | 172 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 85 | S | 31.3 | Very low | 31.5 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -89.2 | 154.4 | 172.1 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | E87 | S85-E87 PolarHBondContact OG-N 3.22Å; S85-E87 VanDerWaalsContact OG-N 3.08Å |
| 86 | P | 34 | Very low | 31.2 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | trans | -123.5 | 89 | 142.3 | 35.1 | -26.2 | 0 | 0 | 0 | 111.9 | | |
| 87 | E | 28.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | | | trans | -63.8 | 155.3 | 145.7 | -64.2 | -171.2 | 142.4 | 0 | 0 | 109.9 | S85 | S85-E87 PolarHBondContact OG-N 3.22Å; S85-E87 VanDerWaalsContact OG-N 3.08Å |
| 88 | N | 28.3 | Very low | 31 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | | | trans | 61.8 | 98.6 | 158.2 | -59.2 | -51.8 | 0 | 0 | 0 | 118.7 | | |
| 89 | Q | 32.5 | Very low | 30.8 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | | | trans | 173.7 | 140.1 | 130.9 | -90.8 | 157.1 | 102.4 | 0 | 0 | 108.3 | | |
| 90 | L | 28.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | cis | -149.8 | 150.3 | -6 | -117.5 | 160.1 | 0 | 0 | 0 | 110.7 | | |
| 91 | S | 27.1 | Very low | 30.5 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | | | trans | -60.9 | 152.5 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 92 | N | 28.2 | Very low | 30.4 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | 151.6 | 121.2 | 146.4 | -79.6 | -19.7 | 0 | 0 | 0 | 108.7 | | |
| 93 | L | 35 | Very low | 30.5 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | cis | -118.7 | 158.2 | 5.9 | -85.7 | 46 | 0 | 0 | 0 | 108.8 | | |
| 94 | L | 27.3 | Very low | 30.6 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | cis | 70.6 | 88.1 | 9.8 | -157.5 | 78 | 0 | 0 | 0 | 118.3 | | |
| 95 | I | 36.6 | Very low | 30.5 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | | | trans | -176.3 | 133.5 | 143.5 | -95.6 | 149.1 | 0 | 0 | 0 | 105.6 | | |
| 96 | H | 32 | Very low | 30.3 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 61% | 0.611 | 71% | 0.714 | S | S | * | * | | | cis | 174.3 | 142.2 | -20.8 | -108.4 | 13.5 | 0 | 0 | 0 | 105.1 | | |
| 97 | S | 30.4 | Very low | 30.2 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | | | trans | 66.1 | 151.2 | 148.5 | 72.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 98 | N | 32.2 | Very low | 30.3 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | | | cis | -157.9 | 156.1 | -19.3 | -109.4 | -19.8 | 0 | 0 | 0 | 111 | | |
| 99 | N | 27.6 | Very low | 30.4 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | | | trans | -68.6 | 132.9 | 170.3 | -53 | -72.4 | 0 | 0 | 0 | 111.7 | | |
| 100 | Q | 32 | Very low | 30.3 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | | | trans | -166.1 | 120.7 | 145.9 | -109.4 | 134.1 | 90.6 | 0 | 0 | 110.2 | | |
| 101 | T | 28.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | | | | 82.5 | 90.2 | 85.8 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 102 | L | 28.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | | 80.7 | 162.7 | 102.1 | -88.5 | 163.4 | 0 | 0 | 0 | 113.9 | | |
| 103 | I | 32.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 126 Ų | 126 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | trans | 70.7 | 133.3 | 161.3 | -71.2 | 155.8 | 0 | 0 | 0 | 114.2 | | |
| 104 | N | 28.8 | Very low | 30.7 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 41% | 0.406 | 71% | 0.709 | S | S | . | * | | | cis | -171.3 | 175.5 | -6.9 | -119.3 | -14.2 | 0 | 0 | 0 | 112 | I1134 | N104-I1134 WeakPolarHBondContact ND2-CD1 3.48Å; N104-I1134 WeakPolarHBondContact OD1-CD1 3.45Å |
| 105 | L | 29.6 | Very low | 30.9 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 57% | 0.571 | 71% | 0.705 | S | S | * | * | | | trans | 41.8 | 102.2 | 141.5 | -61.3 | 167.7 | 0 | 0 | 0 | 118.2 | | |
| 106 | S | 28.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | | | | 62.6 | 109.4 | 89.7 | 76.7 | 0 | 0 | 0 | 0 | 116 | | |
| 107 | G | 32 | Very low | 30.8 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 81% | 0.814 | 71% | 0.709 | S | S | * | * | | | trans | -161.3 | 94.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 108 | I | 30.8 | Very low | 30.8 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 82% | 0.815 | 70% | 0.702 | S | S | * | * | | | trans | -96.6 | 158.9 | 172.4 | -40.9 | 174.8 | 0 | 0 | 0 | 108.2 | | |
| 109 | N | 30.5 | Very low | 31 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | | | trans | 90.6 | 128.5 | -179.1 | -49 | -41.6 | 0 | 0 | 0 | 113 | | |
| 110 | S | 28.7 | Very low | 31.3 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | | | cis | 90.1 | 141.8 | 36.9 | -168.7 | 0 | 0 | 0 | 0 | 113 | | |
| 111 | T | 28.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | | | trans | 67.7 | 152 | -175.7 | 77.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 112 | V | 32.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | | | cis | -151.1 | -172.3 | -11.6 | 110.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 113 | T | 30.8 | Very low | 32.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | | | trans | -50.5 | 153.2 | 172.5 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 114 | D | 34.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | | -176.5 | 157.7 | 71.7 | -115.1 | -72.9 | 0 | 0 | 0 | 115.1 | | |
| 115 | Q | 33.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | | | trans | 31.1 | 133.9 | 146.7 | -76.5 | 172.3 | 77.3 | 0 | 0 | 124.7 | | |
| 116 | K | 33.5 | Very low | 32.6 | Very low | 162 Ų | 162 | 135 Ų | 135 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | | | trans | 86 | 125.5 | 130.8 | -80.2 | 170.6 | 179.5 | 149.4 | 0 | 122.4 | | |
| 117 | R | 32.8 | Very low | 32.9 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 75% | 0.751 | 74% | 0.741 | S | S | * | * | | | trans | 75 | 130.6 | 135.2 | -66.1 | -178.7 | 100.1 | 148.1 | 10 | 120.2 | | |
| 118 | E | 30.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 57% | 0.57 | 73% | 0.73 | S | S | * | * | | | | 35.2 | 119.9 | 129.5 | -55.7 | 171.1 | 105.7 | 0 | 0 | 118.2 | | |
| 119 | H | 35.8 | Very low | 33.6 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | | | | -164.6 | 144.5 | 86.7 | -108.2 | -79.8 | 0 | 0 | 0 | 113.8 | | |
| 120 | V | 34.8 | Very low | 33.7 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | | | trans | -92.9 | 134.9 | 168.7 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | I122 | V120-I122 HydrophobicContact CB-CG1 4.43Å; V120-I122 HydrophobicContact CG1-CG1 3.9Å; V120-I122 PolarHBondContact O-N 2.7Å |
| 121 | P | 39.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | | | trans | -83.6 | 100 | 163.8 | 31.5 | -28.7 | 0 | 0 | 0 | 110.3 | | |
| 122 | I | 33 | Very low | 34.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | | | trans | -91 | 121.9 | 173.5 | -59.9 | 170.6 | 0 | 0 | 0 | 109.8 | V120 | V120-I122 HydrophobicContact CB-CG1 4.43Å; V120-I122 HydrophobicContact CG1-CG1 3.9Å; V120-I122 PolarHBondContact O-N 2.7Å |
| 123 | T | 34.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | | | trans | -160.2 | 151.1 | 155.8 | 42.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 124 | N | 30.7 | Very low | 33.9 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | | | cis | 176.1 | 111.7 | -39.3 | -110.4 | -28.2 | 0 | 0 | 0 | 108.6 | | |
| 125 | A | 35.2 | Very low | 33.8 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -156.9 | 104.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 126 | R | 33.2 | Very low | 33.8 | Very low | 240 Ų | 240 | 137.4 Ų | 137.4 | 91% | 0.906 | 73% | 0.729 | S | S | * | * | | | | 77.4 | 89.4 | 80.3 | -163.8 | 178.1 | -151.1 | 169 | 5.3 | 110.2 | | |
| 127 | N | 35.7 | Very low | 33.8 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | | 61.7 | 137.1 | 59.5 | -151.1 | 30.2 | 0 | 0 | 0 | 110.2 | | |
| 128 | P | 45.2 | Very low | 33.8 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | | | cis | -156.4 | -174.4 | 27.6 | 45 | -22.6 | 0 | 0 | 0 | 120.5 | | |
| 129 | N | 31.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | trans | 88.1 | 122.7 | 131.8 | -82.6 | -7.7 | 0 | 0 | 0 | 125.7 | | |
| 130 | L | 33.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | | 85.9 | 135.4 | 119.5 | -70.5 | 171.7 | 0 | 0 | 0 | 124 | | |
| 131 | Q | 33.1 | Very low | 34 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | trans | 69.9 | 146 | 145.2 | -68 | 163.6 | 12.1 | 0 | 0 | 117 | | |
| 132 | N | 32.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | | | cis | -148.3 | 154.1 | -3.8 | -105.5 | -19 | 0 | 0 | 0 | 107.9 | | |
| 133 | M | 28.7 | Very low | 33.9 | Very low | 170 Ų | 170 | 132 Ų | 132 | 84% | 0.837 | 73% | 0.732 | S | S | * | * | | | | 42.3 | 123.7 | 88.5 | -93.4 | -170.3 | 177.1 | 0 | 0 | 113.1 | | |
| 134 | T | 31.3 | Very low | 34 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | cis | -161.1 | -178.9 | 24.5 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 135 | S | 31.8 | Very low | 34.1 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | trans | 79.6 | 147.4 | 149.5 | -60 | 0 | 0 | 0 | 0 | 118.8 | | |
| 136 | S | 32.5 | Very low | 34.2 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | cis | -167.2 | 169.2 | -20.3 | -169.2 | 0 | 0 | 0 | 0 | 110 | | |
| 137 | E | 35.1 | Very low | 34.2 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | | | trans | 73.8 | 123.4 | 163.2 | -57.3 | -136.2 | 101.2 | 0 | 0 | 116 | | |
| 138 | R | 32.8 | Very low | 34 | Very low | 215 Ų | 215 | 124.2 Ų | 124.2 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | | | cis | 99.8 | 131.1 | 44.1 | 173.2 | -173.9 | -168 | -171.4 | 1.8 | 109.2 | | |
| 139 | A | 35.7 | Very low | 34.4 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 52% | 0.521 | 72% | 0.722 | S | S | . | * | | | cis | -158.1 | 168.2 | 14.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 140 | N | 36.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | | | trans | 68.8 | 147.1 | 141 | -63.3 | -1.8 | 0 | 0 | 0 | 119.4 | | |
| 141 | S | 32.8 | Very low | 34.6 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | cis | -169.5 | 152.7 | -9 | -107.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 142 | V | 36.4 | Very low | 35 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | trans | 75.6 | 99.5 | 139.7 | 174.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 143 | S | 33.9 | Very low | 35 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | | 71.1 | 146 | 117.6 | -150.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 144 | G | 36.1 | Very low | 35.5 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | | | trans | -172 | -17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 145 | D | 34.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | | | trans | 53 | 136.4 | 158.4 | -98.1 | -1.2 | 0 | 0 | 0 | 124.6 | | |
| 146 | V | 35.8 | Very low | 36 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | | | trans | 80.2 | 78.7 | 132.2 | 178.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 147 | S | 34.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | | 90.7 | 151.1 | 107 | 82.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 148 | N | 31.9 | Very low | 35.6 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | 99.6 | 128.6 | 135.6 | -124.9 | 20.1 | 0 | 0 | 0 | 120.2 | | |
| 149 | P | 53.3 | Low | 35.5 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | -105.2 | 177.1 | -179.4 | 41.9 | -35.4 | 0 | 0 | 0 | 113.3 | | |
| 150 | N | 34.8 | Very low | 35.5 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | | | trans | -159.3 | 162.6 | 139.9 | -118.9 | -46.5 | 0 | 0 | 0 | 115.5 | | |
| 151 | C | 32.6 | Very low | 35.7 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 75% | 0.75 | 73% | 0.727 | S | S | * | * | | | trans | -107.2 | -160.7 | 174 | -146 | 0 | 0 | 0 | 0 | 107.3 | | |
| 152 | P | 42.7 | Very low | 35.4 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | cis | -143.8 | -179.1 | -11.8 | 46.3 | -28.9 | 0 | 0 | 0 | 116.4 | | |
| 153 | D | 31.7 | Very low | 35.6 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | | | trans | 62.4 | -177.7 | 138.1 | -121.7 | -51.4 | 0 | 0 | 0 | 124.5 | | |
| 154 | V | 38.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | | | trans | 100.3 | 70.4 | 162.5 | -160.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 155 | V | 33.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | | | trans | -26.9 | 128.1 | 143.4 | 178.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 156 | K | 39.9 | Very low | 35.7 | Very low | 174 Ų | 174 | 140 Ų | 140 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | | | trans | -174 | 119.3 | 143.2 | -90.1 | 131.5 | -164.1 | 167 | 0 | 107.5 | | |
| 157 | S | 30.2 | Very low | 35.6 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | | | | 53.1 | 106.6 | 50.9 | -166.7 | 0 | 0 | 0 | 0 | 114 | | |
| 158 | F | 30.7 | Very low | 35.6 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | | 179.9 | 129.5 | 111.2 | -88.9 | -48.8 | 0 | 0 | 0 | 115.8 | | |
| 159 | R | 30.9 | Very low | 35.9 | Very low | 191 Ų | 191 | 140 Ų | 140 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | | | trans | 55.9 | 115.3 | 134.3 | -65.9 | 165.1 | -177.4 | -169.5 | 2.7 | 122.5 | | |
| 160 | K | 33.9 | Very low | 35.2 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | | | | 68.2 | 170.8 | 120.8 | -68.3 | 174.4 | -177.8 | 177.6 | 0 | 117 | | |
| 161 | P | 40.6 | Very low | 35.2 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | | | cis | -111.6 | 160.8 | 0.3 | 43.4 | -31.7 | 0 | 0 | 0 | 113.3 | | |
| 162 | K | 27.8 | Very low | 35.3 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | | 59.1 | 87.9 | 54.7 | -91.4 | -152.7 | 175.3 | -161 | 0 | 114.9 | | |
| 163 | Y | 40.3 | Very low | 35.3 | Very low | 227 Ų | 227 | 145 Ų | 145 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | -146.7 | 133.5 | 143.9 | -97.1 | -70.3 | 0 | 0 | 0 | 111.5 | | |
| 164 | S | 34.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -154.6 | 141.4 | 171.6 | 167 | 0 | 0 | 0 | 0 | 105.8 | | |
| 165 | P | 37.2 | Very low | 35.6 | Very low | 100 Ų | 100 | 145 Ų | 145 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | | | | -151.2 | 154.3 | 127.7 | 38.9 | -23.7 | 0 | 0 | 0 | 115.2 | | |
| 166 | R | 32.7 | Very low | 35.6 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | | | trans | 64.1 | 147.7 | 135 | -74.5 | 178.3 | -173.8 | 156.2 | -0.1 | 119.4 | | |
| 167 | D | 34.8 | Very low | 35.1 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | cis | -146.8 | 164.4 | 11.5 | -90.5 | -45.7 | 0 | 0 | 0 | 112.2 | | |
| 168 | S | 35 | Very low | 35.3 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | 72 | 148.7 | 161.5 | -53 | 0 | 0 | 0 | 0 | 119.7 | | |
| 169 | V | 37 | Very low | 35.3 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -160.6 | 133.4 | -19.3 | 130.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 170 | S | 38.3 | Very low | 35.4 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | 56.4 | 151.9 | 163.3 | 70.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 171 | Q | 35.1 | Very low | 35.1 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | cis | -163.8 | 117 | -28 | -112.9 | -170.5 | 14.2 | 0 | 0 | 107.8 | | |
| 172 | Q | 35.9 | Very low | 34.7 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | | | trans | -178.9 | 148.4 | 132.3 | -101 | 176.3 | 11.6 | 0 | 0 | 109.9 | | |
| 173 | P | 41.4 | Very low | 35 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | trans | -117.6 | 144.7 | -155.7 | 9.3 | 15.7 | 0 | 0 | 0 | 115.9 | | |
| 174 | I | 38.6 | Very low | 34.6 | Very low | 154 Ų | 154 | 127 Ų | 127 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 73.7 | 135.5 | 130.3 | -63.9 | 172.5 | 0 | 0 | 0 | 117.8 | | |
| 175 | T | 38.1 | Very low | 34.3 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | cis | -166.7 | 151.6 | -17.5 | 32.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 176 | D | 33.6 | Very low | 34 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | | 44.4 | 114 | 128 | -43.8 | -14.7 | 0 | 0 | 0 | 122.7 | | |
| 177 | S | 29.9 | Very low | 33.9 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 21.6 | 132.4 | 129.5 | 66.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 178 | V | 35.1 | Very low | 34 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | -136.2 | 141.2 | 133.6 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 179 | A | 31.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -106.5 | 124.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 180 | A | 32 | Very low | 33.3 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -157.4 | 117.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 181 | S | 28.5 | Very low | 32.8 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 40.9 | 141.2 | 137.1 | -162.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 182 | T | 30.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | | | trans | 78.9 | 136.5 | 147.6 | 16 | 0 | 0 | 0 | 0 | 120.5 | | |
| 183 | I | 34.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | 71.1 | 84.9 | 155.9 | -52.6 | 155.6 | 0 | 0 | 0 | 116.8 | | |
| 184 | G | 31.7 | Very low | 31.8 | Very low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | | 61.4 | 109.1 | 103.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 185 | S | 29 | Very low | 31.3 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | 61.8 | 95.6 | 143.7 | -172.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 186 | S | 31 | Very low | 30.7 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -129.7 | 126.5 | 165.9 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 187 | D | 30.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 179.4 | 163.2 | -65.3 | -69 | 0 | 0 | 0 | 112.6 | | |
| 188 | P | 36.2 | Very low | 30.3 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | cis | -134.5 | 144.7 | -49.5 | 35.1 | -20.5 | 0 | 0 | 0 | 112.1 | | |
| 189 | V | 30.5 | Very low | 30 | Very low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -133.4 | 128.8 | 172.3 | -175 | 0 | 0 | 0 | 0 | 113.2 | | |
| 190 | F | 27.3 | Very low | 29.8 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | | | trans | -53.2 | 135.2 | -179.5 | -74 | -108.9 | 0 | 0 | 0 | 115.1 | | |
| 191 | S | 28.5 | Very low | 30 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -122.5 | 151.7 | 144.7 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 192 | L | 27.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -79.7 | 156.9 | -172.9 | -62.8 | 70.1 | 0 | 0 | 0 | 109.5 | | |
| 193 | T | 31.5 | Very low | 30 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | cis | -148.1 | 147.4 | 33.8 | 40.3 | 0 | 0 | 0 | 0 | 115 | | |
| 194 | A | 31.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | 56.6 | 55.4 | 142 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 195 | R | 27.6 | Very low | 30.4 | Very low | 243 Ų | 243 | 142.7 Ų | 142.7 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -89.8 | 95.8 | 138.6 | -174.7 | -172.2 | -163.2 | 174.2 | 7.7 | 108.5 | | |
| 196 | E | 26.6 | Very low | 31.1 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -178.7 | 104.3 | 149.3 | -106.8 | 170.1 | -161.3 | 0 | 0 | 115.3 | | |
| 197 | T | 26.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 140 Ų | 140 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | trans | 66.1 | 170.8 | 134 | 69.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 198 | N | 27.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | trans | 57.6 | 100.6 | 149.1 | -66 | -37.1 | 0 | 0 | 0 | 116.3 | | |
| 199 | L | 29.2 | Very low | 33.5 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | | -166.9 | 154.3 | 60.3 | -93.8 | 155.8 | 0 | 0 | 0 | 113.6 | | |
| 200 | S | 27 | Very low | 34.8 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | trans | 13.6 | 140.5 | 152.8 | 62.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 201 | L | 35.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | | | cis | -122.9 | 137.3 | 15 | -80.1 | 85.5 | 0 | 0 | 0 | 113 | A203 | L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.26Å |
| 202 | I | 27 | Very low | 37.3 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | | | trans | -73 | 87.6 | 156.1 | -58.5 | 171.7 | 0 | 0 | 0 | 107.1 | S204 | I202-S204 VanDerWaalsContact C-N 3.27Å; I202-S204 PolarHBondContact O-N 2.96Å |
| 203 | A | 32.5 | Very low | 38.2 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 69% | 0.693 | S | S | * | * | | | trans | -70 | 91.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | L201 R205 | L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.26Å; A203-R205 PolarHBondContact O-N 2.87Å |
| 204 | S | 32 | Very low | 39 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | | | trans | -55.6 | 102.9 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | I202 K206 | I202-S204 VanDerWaalsContact C-N 3.27Å; I202-S204 PolarHBondContact O-N 2.96Å; S204-K206 VanDerWaalsContact C-N 3.34Å; S204-K206 PolarHBondContact O-N 2.87Å |
| 205 | R | 44 | Very low | 39.7 | Very low | 247 Ų | 247 | 131 Ų | 131 | 93% | 0.932 | 68% | 0.679 | S | S | * | * | | | trans | -62 | 98.3 | 176.7 | -78.6 | -177 | 169.2 | -178.4 | -3.9 | 108 | A203 S207 | A203-R205 PolarHBondContact O-N 2.87Å; R205-S207 PolarHBondContact O-N 2.81Å |
| 206 | K | 41.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 125 Ų | 125 | 53% | 0.526 | 67% | 0.674 | S | S | . | * | | | trans | -42.1 | 130.6 | 162.2 | -83 | 178.5 | 167.8 | -168.9 | 0 | 108.2 | S204 E210 L211 | S204-K206 VanDerWaalsContact C-N 3.34Å; S204-K206 PolarHBondContact O-N 2.87Å; K206-E210 HydrophobicContact CB-CB 3.66Å; K206-E210 HydrophobicContact CD-CB 4.23Å; K206-E210 HydrophobicContact CG-CB 3.87Å; K206-L211 HydrophobicContact CB-CD2 4.14Å; K206-L211 HydrophobicContact CB-CG 3.8Å; K206-L211 HydrophobicContact CD-CD2 4.31Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å |
| 207 | S | 44.5 | Very low | 41.8 | Very low | 56 Ų | 56 | 127.5 Ų | 127.5 | 39% | 0.392 | 68% | 0.677 | S | S | . | * | | | trans | -55.8 | 162.2 | 173.7 | 59.2 | 0 | 0 | 0 | 0 | 111 | R205 K209 E210 L211 | R205-S207 PolarHBondContact O-N 2.81Å; S207-K209 PolarHBondContact O-N 2.71Å; S207-E210 WeakPolarHBondContact CB-OE2 2.93Å; S207-E210 PolarHBondContact N-OE2 3.43Å; S207-E210 CarbonylContact O-C 3.59Å; S207-E210 WeakPolarHBondContact O-CA 3.41Å; S207-E210 PolarHBondContact O-N 3.33Å; S207-E210 WeakPolarHBondContact OG-CG 3.5Å; S207-E210 PolarHBondContact OG-N 2.73Å; S207-E210 PolarHBondContact OG-OE2 3.43Å; S207-L211 PolarHBondContact O-N 3.15Å |
| 208 | V | 49 | Very low | 42.6 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 48% | 0.479 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -52 | -32.7 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | Y212 | V208-Y212 HydrophobicContact CG1-CD2 4.04Å; V208-Y212 WeakPolarHBondContact O-CB 3.42Å; V208-Y212 PolarHBondContact O-N 2.83Å |
| 209 | K | 55.4 | Low | 43.1 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.9 | -16.5 | 178.1 | -159.5 | 166.7 | -175.3 | 168.7 | 0 | 114.5 | S207 | S207-K209 PolarHBondContact O-N 2.71Å |
| 210 | E | 57.9 | Low | 43.6 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 55% | 0.547 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -102.3 | -21.9 | 173.2 | -71.9 | 168.2 | 104.5 | 0 | 0 | 113.4 | K206 S207 | K206-E210 HydrophobicContact CB-CB 3.66Å; K206-E210 HydrophobicContact CD-CB 4.23Å; K206-E210 HydrophobicContact CG-CB 3.87Å; S207-E210 WeakPolarHBondContact CB-OE2 2.93Å; S207-E210 PolarHBondContact N-OE2 3.43Å; S207-E210 CarbonylContact O-C 3.59Å; S207-E210 WeakPolarHBondContact O-CA 3.41Å; S207-E210 PolarHBondContact O-N 3.33Å; S207-E210 WeakPolarHBondContact OG-CG 3.5Å; S207-E210 PolarHBondContact OG-N 2.73Å; S207-E210 PolarHBondContact OG-OE2 3.43Å |
| 211 | L | 57.4 | Low | 44.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 56% | 0.56 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -79.7 | -39.3 | 169.1 | -79.5 | 169.3 | 0 | 0 | 0 | 111.4 | K206 S207 | K206-L211 HydrophobicContact CB-CD2 4.14Å; K206-L211 HydrophobicContact CB-CG 3.8Å; K206-L211 HydrophobicContact CD-CD2 4.31Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å; S207-L211 PolarHBondContact O-N 3.15Å |
| 212 | Y | 50.8 | Low | 44.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 49% | 0.494 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -120.3 | 81.3 | 178.1 | -54.4 | -62.7 | 0 | 0 | 0 | 109.3 | V208 K580 | V208-Y212 HydrophobicContact CG1-CD2 4.04Å; V208-Y212 WeakPolarHBondContact O-CB 3.42Å; V208-Y212 PolarHBondContact O-N 2.83Å; Y212-K580 HydrophobicContact CE1-CD 4.03Å; Y212-K580 VanDerWaalsContact CE1-CE 3.44Å |
| 213 | G | 46.7 | Very low | 45.2 | Very low | 59 Ų | 59 | 127.3 Ų | 127.3 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | | | trans | -54.9 | 150.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 214 | Q | 49.1 | Very low | 45.4 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | | | trans | -55.5 | 136.9 | -162.4 | -76.9 | -156.7 | -53.2 | 0 | 0 | 113.7 | S216 | Q214-S216 PolarHBondContact O-N 2.88Š|
| 215 | P | 45 | Very low | 45.6 | Very low | 79 Ų | 79 | 133 Ų | 133 | 51% | 0.513 | 71% | 0.709 | S | S | . | * | | | trans | -68.5 | 93 | -175.5 | 26.4 | -33.9 | 0 | 0 | 0 | 111.8 | W217 | P215-W217 PolarHBondContact O-N 2.96Š|
| 216 | S | 45.1 | Very low | 45.3 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 43.2 | -177.7 | -172.7 | 0 | 0 | 0 | 0 | 114.5 | Q214 | Q214-S216 PolarHBondContact O-N 2.88Š|
| 217 | W | 54.2 | Low | 44.9 | Very low | 218 Ų | 218 | 130 Ų | 130 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 7.3 | -178.6 | 66.7 | -73.9 | 0 | 0 | 0 | 115 | P215 | P215-W217 PolarHBondContact O-N 2.96Š|
| 218 | W | 42.3 | Very low | 44.6 | Very low | 228 Ų | 228 | 133.1 Ų | 133.1 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -71.8 | 131.2 | 148.3 | -66.8 | 79.7 | 0 | 0 | 0 | 107.2 | D220 | W218-D220 PolarHBondContact O-N 3.2Š|
| 219 | G | 38.9 | Very low | 43.6 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 75% | 0.745 | S | S | * | * | | | trans | -76.6 | 118.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G221 | G219-G221 PolarHBondContact O-N 2.84Å; G219-G221 VanDerWaalsContact O-N 3.08Å |
| 220 | D | 39.6 | Very low | 42.6 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | trans | -62.9 | 105.4 | 162.6 | -82.5 | -38 | 0 | 0 | 0 | 109.8 | W218 | W218-D220 PolarHBondContact O-N 3.2Š|
| 221 | G | 39.1 | Very low | 41.2 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | | | trans | -86.8 | 103.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | G219 S223 | G219-G221 PolarHBondContact O-N 2.84Å; G219-G221 VanDerWaalsContact O-N 3.08Å; G221-S223 PolarHBondContact O-N 3.14Å |
| 222 | D | 41.2 | Very low | 39.9 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | | | trans | -62.6 | 84.7 | 176.9 | -94.8 | -36 | 0 | 0 | 0 | 112.9 | | |
| 223 | S | 43.2 | Very low | 38.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -160.6 | 99.4 | 155.3 | 62.2 | 0 | 0 | 0 | 0 | 115.3 | G221 Y225 | G221-S223 PolarHBondContact O-N 3.14Å; S223-Y225 PolarHBondContact O-N 3.42Å |
| 224 | G | 35.4 | Very low | 38.3 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | 77.2 | -3.1 | 130.8 | 0 | 0 | 0 | 0 | 0 | 121 | S226 | G224-S226 PolarHBondContact O-N 3.09Š|
| 225 | Y | 36.7 | Very low | 37.4 | Very low | 227 Ų | 227 | 136.5 Ų | 136.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | -75.3 | 99 | 176.9 | -97.6 | -84.8 | 0 | 0 | 0 | 112.6 | S223 Y227 | S223-Y225 PolarHBondContact O-N 3.42Å; Y225-Y227 PolarHBondContact O-N 3.46Å |
| 226 | S | 37.4 | Very low | 36.8 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -66 | 116.5 | 170 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | G224 | G224-S226 PolarHBondContact O-N 3.09Š|
| 227 | Y | 33.9 | Very low | 36.1 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | | | trans | -60.5 | 138.3 | 163.2 | -110.2 | -97.8 | 0 | 0 | 0 | 110.3 | Y225 H229 | Y225-Y227 PolarHBondContact O-N 3.46Å; Y227-H229 PolarHBondContact O-N 3.26Å |
| 228 | P | 38.5 | Very low | 35.1 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | trans | -70.4 | 82.9 | 162.5 | 29.7 | -32.8 | 0 | 0 | 0 | 109.9 | T230 | P228-T230 PolarHBondContact O-N 2.87Å; P228-T230 VanDerWaalsContact O-N 3.16Å |
| 229 | H | 28.6 | Very low | 34.7 | Very low | 166 Ų | 166 | 123 Ų | 123 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | | | trans | -75.4 | 91.8 | 171.4 | -84.6 | -75.6 | 0 | 0 | 0 | 111.6 | Y227 | Y227-H229 PolarHBondContact O-N 3.26Š|
| 230 | T | 33.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | | | trans | -157.8 | 121.3 | 141.2 | 42.3 | 0 | 0 | 0 | 0 | 107.5 | P228 | P228-T230 PolarHBondContact O-N 2.87Å; P228-T230 VanDerWaalsContact O-N 3.16Å |
| 231 | S | 29 | Very low | 34.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | | | cis | 61 | 97.5 | 36.7 | 91.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 232 | S | 29.1 | Very low | 34.1 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | | | | 156.7 | 151.2 | 98.5 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 233 | F | 31.1 | Very low | 33.7 | Very low | 208 Ų | 208 | 125.7 Ų | 125.7 | 91% | 0.912 | 72% | 0.718 | S | S | * | * | | | trans | 65.8 | 151.2 | 175.3 | -44.1 | -71.9 | 0 | 0 | 0 | 115.2 | | |
| 234 | G | 33.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | cis | -159 | 170.8 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 235 | N | 30.3 | Very low | 33 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | | | trans | -79.3 | 162.2 | -172.4 | -65.8 | -31.5 | 0 | 0 | 0 | 114.5 | | |
| 236 | Q | 31.9 | Very low | 32.8 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 47% | 0.467 | 72% | 0.718 | S | S | . | * | | | trans | 102.1 | 102.4 | 153.6 | -58.2 | 170.3 | 83.8 | 0 | 0 | 118 | V1138 K1139 P1140 | Q236-V1138 PolarHBondContact OE1-O 3.22Å; Q236-V1138 VanDerWaalsContact OE1-O 3.13Å; Q236-K1139 PolarHBondContact OE1-O 3.23Å; Q236-P1140 HydrophobicContact CB-CB 3.79Å; Q236-P1140 HydrophobicContact CB-CG 3.87Å; Q236-P1140 HydrophobicContact CG-CB 4.48Å; Q236-P1140 WeakPolarHBondContact O-CD 3.41Å; Q236-P1140 WeakPolarHBondContact O-CG 3.44Å |
| 237 | E | 31.8 | Very low | 32.5 | Very low | 61 Ų | 61 | 129.3 Ų | 129.3 | 29% | 0.285 | 71% | 0.713 | S | S | . | * | | | | 54.3 | 89.3 | 122.8 | -161.5 | 178 | 117.5 | 0 | 0 | 118.1 | V1138 K1139 | E237-V1138 VanDerWaalsContact CD-N 3.31Å; E237-V1138 VanDerWaalsContact OE1-C 3.28Å; E237-V1138 PolarHBondContact OE1-N 3.46Å; E237-V1138 VanDerWaalsContact OE1-N 3.09Å; E237-V1138 VanDerWaalsContact OE2-C 3.25Å; E237-V1138 WeakPolarHBondContact OE2-CA 3.35Å; E237-V1138 PolarHBondContact OE2-N 3.02Å; E237-K1139 HydrophobicContact CG-CG 4.16Å; E237-K1139 WeakPolarHBondContact O-CE 3.44Å; E237-K1139 WeakPolarHBondContact OE1-CG 3.31Å; E237-K1139 PolarHBondContact OE1-N 3.4Å |
| 238 | T | 33.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | | | trans | 66.7 | 178 | 137.3 | -25.5 | 0 | 0 | 0 | 0 | 114.3 | K1139 | T238-K1139 WeakPolarHBondContact O-CE 3.3Å; T238-K1139 PolarHBondContact O-NZ 2.98Å |
| 239 | V | 34.1 | Very low | 31.9 | Very low | 89 Ų | 89 | 128 Ų | 128 | 54% | 0.539 | 71% | 0.706 | S | S | . | * | | | cis | -152.8 | 157.1 | 26.9 | 176 | 0 | 0 | 0 | 0 | 108.4 | K1139 | V239-K1139 HydrophobicContact CG2-CD 3.8Š|
| 240 | H | 32.5 | Very low | 31.9 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | | | trans | -28.6 | 168.1 | 156.5 | -67.2 | -71.5 | 0 | 0 | 0 | 118.4 | | |
| 241 | P | 40.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | | | cis | -139.1 | -168.8 | 8.4 | 24.4 | 2.5 | 0 | 0 | 0 | 116.1 | | |
| 242 | V | 31.7 | Very low | 32 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 74% | 0.739 | 70% | 0.7 | S | S | * | * | | | trans | 81.1 | 100.6 | 153.9 | -165.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 243 | V | 32.4 | Very low | 32.1 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | | | | 32.7 | 138.7 | 121.5 | -168.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 244 | A | 33.1 | Very low | 32.4 | Very low | 87 Ų | 87 | 122 Ų | 122 | 72% | 0.719 | 66% | 0.663 | S | S | * | * | | | trans | 122.6 | 77.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 245 | S | 30.1 | Very low | 32.5 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | | | | 20.8 | 113.9 | 125.3 | -45.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 246 | R | 32.2 | Very low | 32.7 | Very low | 239 Ų | 239 | 122.7 Ų | 122.7 | 90% | 0.902 | 65% | 0.65 | S | S | * | * | | | | 176 | 124.4 | 105.4 | -95.1 | 174.2 | -173.7 | -151.4 | 1.4 | 114.8 | | |
| 247 | K | 31.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | | | | 29.2 | 131.4 | 124.4 | -80.3 | -179.2 | 164.6 | -172.7 | 0 | 121 | | |
| 248 | Y | 29.9 | Very low | 33.1 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | | | trans | 72.4 | 151.1 | 144.3 | -60.6 | -35.4 | 0 | 0 | 0 | 118.4 | | |
| 249 | S | 29.7 | Very low | 33.3 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | | | cis | -165.6 | 157 | -20.8 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 250 | M | 29.5 | Very low | 33.5 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | | | trans | 27 | 130 | 153.3 | -66.1 | 163.4 | 167.6 | 0 | 0 | 121 | | |
| 251 | K | 32 | Very low | 34 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | | | | -173.7 | 167.7 | 96.2 | -95.9 | -169.9 | 172.3 | -146.9 | 0 | 112 | | |
| 252 | A | 31.6 | Very low | 33.8 | Very low | 55 Ų | 55 | 133.3 Ų | 133.3 | 46% | 0.455 | 72% | 0.716 | S | S | . | * | | | trans | -104.5 | -169.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 253 | D | 32.2 | Very low | 34.2 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 51% | 0.513 | 72% | 0.72 | S | S | . | * | | | | -178.4 | 154.8 | 115.3 | -75 | -15.1 | 0 | 0 | 0 | 113.8 | D775 D776 | D253-D775 HydrophobicContact CB-CB 3.86Å; D253-D776 CarbonylContact C-O 3.42Å; D253-D776 VanDerWaalsContact C-O 3.24Å; D253-D776 PolarHBondContact N-O 3.41Å; D253-D776 CarbonylContact O-C 3.51Å; D253-D776 VanDerWaalsContact O-C 3.29Å |
| 254 | I | 37.2 | Very low | 34.5 | Very low | 41 Ų | 41 | 138.2 Ų | 138.2 | 21% | 0.21 | 72% | 0.721 | C | S | . | * | | | trans | -103.2 | 171.2 | -159.7 | -142.2 | 168.5 | 0 | 0 | 0 | 117.7 | L256 D775 D776 N777 | I254-L256 HydrophobicContact CD1-CD1 4.15Å; I254-L256 HydrophobicContact CD1-CG 3.83Å; I254-D775 HydrophobicContact CB-CB 4.06Å; I254-D775 HydrophobicContact CG2-CB 4.01Å; I254-D775 WeakPolarHBondContact CG2-OD1 3.49Å; I254-D775 PolarHBondContact N-OD2 2.74Å; I254-D776 HydrophobicContact CB-CB 4.34Å; I254-D776 VanDerWaalsContact CB-N 3.31Å; I254-D776 HydrophobicContact CD1-CB 3.8Å; I254-D776 HydrophobicContact CG1-CB 3.97Å; I254-N777 HydrophobicContact CB-CB 4.24Å; I254-N777 HydrophobicContact CG1-CB 3.59Å |
| 255 | N | 35.3 | Very low | 35.1 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | | | | -163 | 112.9 | 110.5 | -106.7 | -87.9 | 0 | 0 | 0 | 116.5 | N777 | N255-N777 PolarHBondContact O-ND2 3.4Š|
| 256 | L | 34 | Very low | 35.7 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 64% | 0.644 | 72% | 0.72 | S | S | * | * | | | trans | -40.9 | 153 | 165.5 | -72.6 | 150.5 | 0 | 0 | 0 | 114.7 | I254 | I254-L256 HydrophobicContact CD1-CD1 4.15Å; I254-L256 HydrophobicContact CD1-CG 3.83Å |
| 257 | T | 34.3 | Very low | 36.1 | Very low | 138 Ų | 138 | 133 Ų | 133 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | | | | -177.2 | 158.4 | 124.7 | 19.8 | 0 | 0 | 0 | 0 | 117 | | |
| 258 | S | 38.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | | | trans | 81.8 | 105.4 | 152.1 | 63.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 259 | E | 38 | Very low | 36.6 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | | | trans | 33.6 | 128.6 | 130.3 | -56.5 | -171.6 | -160.7 | 0 | 0 | 122.7 | | |
| 260 | E | 38.5 | Very low | 37 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | | -155 | 175.2 | 105.7 | -127.9 | -167.5 | 172.4 | 0 | 0 | 113.7 | | |
| 261 | N | 41.4 | Very low | 37.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | | | trans | -112.5 | 138.8 | -157.6 | -73.7 | -87.6 | 0 | 0 | 0 | 115.2 | | |
| 262 | S | 37.5 | Very low | 38.2 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | | | trans | -153.1 | 88.6 | 159.2 | -172.6 | 0 | 0 | 0 | 0 | 112 | | |
| 263 | T | 40 | Very low | 38.7 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | | | trans | -77.1 | 127.1 | -170.7 | -30.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 264 | R | 37.6 | Very low | 39.2 | Very low | 228 Ų | 228 | 134.9 Ų | 134.9 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | -118.7 | 133.5 | 160.7 | -165.4 | 175.4 | -172.8 | -171.2 | 1.4 | 108.3 | | |
| 265 | P | 46 | Very low | 39.2 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 142.6 | -169 | 24.4 | -35 | 0 | 0 | 0 | 112.4 | | |
| 266 | P | 43.1 | Very low | 39.5 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 145.4 | 172.4 | 29.4 | -34.7 | 0 | 0 | 0 | 110.3 | | |
| 267 | A | 39.8 | Very low | 39.9 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A269 | A267-A269 PolarHBondContact O-N 3.26Š|
| 268 | E | 36.2 | Very low | 40.5 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.6 | -177 | -62.9 | 172.5 | 152.2 | 0 | 0 | 111.4 | F270 | E268-F270 PolarHBondContact O-N 3.42Š|
| 269 | A | 36.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 112 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | A267 V271 | A267-A269 PolarHBondContact O-N 3.26Å; A269-V271 VanDerWaalsContact C-N 3.3Å; A269-V271 PolarHBondContact O-N 3.43Å |
| 270 | F | 38.6 | Very low | 40.6 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -73.3 | 81.5 | 178 | -60.1 | -69.8 | 0 | 0 | 0 | 111.4 | E268 I272 | E268-F270 PolarHBondContact O-N 3.42Å; F270-I272 PolarHBondContact O-N 2.64Å; F270-I272 VanDerWaalsContact O-N 3.14Å |
| 271 | V | 41.3 | Very low | 40.8 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -67.2 | 106.3 | 166.4 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | A269 D273 | A269-V271 VanDerWaalsContact C-N 3.3Å; A269-V271 PolarHBondContact O-N 3.43Å; V271-D273 PolarHBondContact O-N 2.86Å |
| 272 | I | 45.4 | Very low | 40.7 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 65% | 0.646 | 80% | 0.798 | S | S | * | * | | | trans | -85.1 | 89.7 | 172.6 | -56.9 | -179.9 | 0 | 0 | 0 | 107.8 | F270 F274 | F270-I272 PolarHBondContact O-N 2.64Å; F270-I272 VanDerWaalsContact O-N 3.14Å; I272-F274 HydrophobicContact CB-CE2 4.3Å; I272-F274 HydrophobicContact CG2-CD2 4.12Å; I272-F274 HydrophobicContact CG2-CE1 4.5Å; I272-F274 HydrophobicContact CG2-CE2 3.59Å; I272-F274 HydrophobicContact CG2-CZ 3.82Å; I272-F274 WeakPolarHBondContact O-CD2 3.46Å; I272-F274 PolarHBondContact O-N 2.72Å |
| 273 | D | 42.1 | Very low | 41 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | -73.8 | 115.4 | 175 | -178 | 12.3 | 0 | 0 | 0 | 110.7 | V271 G275 | V271-D273 PolarHBondContact O-N 2.86Å; D273-G275 PolarHBondContact O-N 3.04Å; D273-G275 VanDerWaalsContact O-N 3.09Å; D273-G275 PolarHBondContact OD1-N 2.96Å |
| 274 | F | 40.9 | Very low | 41 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -85.5 | 46.9 | 178.8 | -77.9 | -83.4 | 0 | 0 | 0 | 112.3 | I272 S276 | I272-F274 HydrophobicContact CB-CE2 4.3Å; I272-F274 HydrophobicContact CG2-CD2 4.12Å; I272-F274 HydrophobicContact CG2-CE1 4.5Å; I272-F274 HydrophobicContact CG2-CE2 3.59Å; I272-F274 HydrophobicContact CG2-CZ 3.82Å; I272-F274 WeakPolarHBondContact O-CD2 3.46Å; I272-F274 PolarHBondContact O-N 2.72Å; F274-S276 PolarHBondContact O-N 2.94Å |
| 275 | G | 38.4 | Very low | 41 | Very low | 56 Ų | 56 | 143.3 Ų | 143.3 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | | | trans | -64.9 | 113 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D273 | D273-G275 PolarHBondContact O-N 3.04Å; D273-G275 VanDerWaalsContact O-N 3.09Å; D273-G275 PolarHBondContact OD1-N 2.96Å |
| 276 | S | 40.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -73.4 | 136.9 | -177.9 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | F274 | F274-S276 PolarHBondContact O-N 2.94Š|
| 277 | S | 42.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -149.7 | 154.9 | 163.2 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 278 | K | 46.9 | Very low | 40.1 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -91.1 | 145.8 | -159.8 | -68.7 | 174.2 | 179 | 173.1 | 0 | 113.7 | | |
| 279 | P | 38.7 | Very low | 40 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -79.8 | 156.6 | -177.1 | 33.3 | -36.9 | 0 | 0 | 0 | 113.4 | | |
| 280 | R | 41.1 | Very low | 40.2 | Very low | 242 Ų | 242 | 143.5 Ų | 143.5 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -144.4 | 128.7 | 163.7 | -164.2 | 170.7 | -177.3 | 125.6 | 1.2 | 112 | | |
| 281 | L | 42 | Very low | 40.4 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -24.8 | 131.8 | 178.3 | -79.7 | 54.9 | 0 | 0 | 0 | 117.4 | | |
| 282 | E | 39.8 | Very low | 40.7 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | | -158.6 | 176 | 100.1 | -105.5 | 174.2 | -165.8 | 0 | 0 | 111.5 | | |
| 283 | R | 42.9 | Very low | 41 | Very low | 237 Ų | 237 | 144.2 Ų | 144.2 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | | | trans | -143.2 | 165.8 | -156.4 | -152 | -154.8 | 165.1 | 109.5 | -4.1 | 111.2 | | |
| 284 | P | 40.2 | Very low | 41.5 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | | -118 | 167.7 | -70.7 | 38.2 | -25.8 | 0 | 0 | 0 | 113.3 | | |
| 285 | A | 37.2 | Very low | 43.2 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -148.4 | 155.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 286 | S | 31.9 | Very low | 45.3 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -81.7 | 143.3 | -174.8 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 287 | L | 40.4 | Very low | 47 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -163.9 | 145.6 | 151.9 | -109.7 | 158.7 | 0 | 0 | 0 | 110.3 | | |
| 288 | S | 37.7 | Very low | 49 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -88.1 | 146.9 | -179 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 289 | G | 35.9 | Very low | 50.7 | Low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -141.8 | 130.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 290 | S | 39.8 | Very low | 53 | Low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | trans | -85.7 | 136.3 | -167.1 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | S292 | S290-S292 PolarHBondContact O-N 3.03Å; S290-S292 PolarHBondContact OG-OG 3.4Å |
| 291 | L | 44.1 | Very low | 55.2 | Low | 181 Ų | 181 | 134.3 Ų | 134.3 | 95% | 0.948 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -74.5 | 39.3 | -178.6 | -153.9 | 88.9 | 0 | 0 | 0 | 114 | | |
| 292 | S | 46.4 | Very low | 57.6 | Low | 85 Ų | 85 | 128.9 Ų | 128.9 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | | | trans | -107.6 | 15.2 | -166 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | S290 | S290-S292 PolarHBondContact O-N 3.03Å; S290-S292 PolarHBondContact OG-OG 3.4Å |
| 293 | Q | 52.1 | Low | 60 | Low | 184 Ų | 184 | 124.6 Ų | 124.6 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | | | trans | -96.2 | -4.5 | -173.5 | -67.4 | -174 | -14.6 | 0 | 0 | 114.7 | | |
| 294 | C | 53.2 | Low | 62.3 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | | | trans | -102.6 | 18 | -171.3 | -55.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 295 | V | 74.9 | Confident | 64.8 | Low | 86 Ų | 86 | 115 Ų | 115 | 52% | 0.521 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -107 | 111.3 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 110 | L299 R300 | V295-L299 HydrophobicContact CG1-CB 4.22Å; V295-R300 HydrophobicContact CG1-CB 4.24Å |
| 296 | P | 84 | Confident | 67.4 | Low | 78 Ų | 78 | 118.7 Ų | 118.7 | 51% | 0.506 | 66% | 0.66 | S | S | . | * | | | trans | -51.1 | 138.5 | 174.8 | -30.3 | 35.3 | 0 | 0 | 0 | 113.3 | K298 L299 R300 | P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.16Å; P296-L299 HydrophobicContact CB-CD1 4.43Å; P296-L299 HydrophobicContact CG-CD1 4.21Å; P296-L299 WeakPolarHBondContact O-CB 3.47Å; P296-L299 PolarHBondContact O-N 2.95Å; P296-R300 PolarHBondContact O-N 3.19Å |
| 297 | L | 76.5 | Confident | 70.3 | Confident | 127 Ų | 127 | 118.1 Ų | 118.1 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.1 | -32.1 | -170.8 | -150 | 151.6 | 0 | 0 | 0 | 112.7 | R300 Q301 | L297-R300 PolarHBondContact O-N 3.35Å; L297-Q301 HydrophobicContact CD2-CG 4.27Å; L297-Q301 WeakPolarHBondContact O-CG 3.5Å; L297-Q301 PolarHBondContact O-N 3.41Å |
| 298 | K | 83.9 | Confident | 72.8 | Confident | 183 Ų | 183 | 115.8 Ų | 115.8 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.5 | -45.1 | 169.8 | -73.2 | -173 | 175.7 | -176.2 | 0 | 113 | P296 Q301 G302 | P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.16Å; K298-Q301 PolarHBondContact O-N 3.07Å; K298-G302 PolarHBondContact O-N 3.06Å |
| 299 | L | 82.4 | Confident | 75.5 | Confident | 110 Ų | 110 | 117.2 Ų | 117.2 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.5 | -38.2 | 179.2 | -74.3 | 176.7 | 0 | 0 | 0 | 111.3 | V295 P296 G302 L303 | V295-L299 HydrophobicContact CG1-CB 4.22Å; P296-L299 HydrophobicContact CB-CD1 4.43Å; P296-L299 HydrophobicContact CG-CD1 4.21Å; P296-L299 WeakPolarHBondContact O-CB 3.47Å; P296-L299 PolarHBondContact O-N 2.95Å; L299-G302 PolarHBondContact O-N 2.89Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.16Å |
| 300 | R | 86 | Confident | 78.3 | Confident | 164 Ų | 164 | 118 Ų | 118 | 62% | 0.619 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.2 | -49.5 | 173.5 | -171.8 | 174.9 | 177.6 | 179 | 2.2 | 111.7 | V295 P296 L297 G302 L303 D304 | V295-R300 HydrophobicContact CG1-CB 4.24Å; P296-R300 PolarHBondContact O-N 3.19Å; L297-R300 PolarHBondContact O-N 3.35Å; R300-G302 VanDerWaalsContact C-N 3.29Å; R300-G302 PolarHBondContact O-N 3.26Å; R300-L303 PolarHBondContact O-N 2.95Å; R300-D304 VanDerWaalsContact O-CG 3.23Å; R300-D304 PolarHBondContact O-N 2.83Å |
| 301 | Q | 88 | Confident | 80.8 | Confident | 120 Ų | 120 | 119.2 Ų | 119.2 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.2 | -38 | 174.9 | -73.7 | 175.9 | -16.5 | 0 | 0 | 112.8 | L297 K298 D304 E305 | L297-Q301 HydrophobicContact CD2-CG 4.27Å; L297-Q301 WeakPolarHBondContact O-CG 3.5Å; L297-Q301 PolarHBondContact O-N 3.41Å; K298-Q301 PolarHBondContact O-N 3.07Å; Q301-D304 PolarHBondContact O-N 3.49Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.35Å |
| 302 | G | 91.4 | Very high | 83.1 | Confident | 45 Ų | 45 | 115.8 Ų | 115.8 | 46% | 0.464 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -36.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K298 L299 R300 R306 | K298-G302 PolarHBondContact O-N 3.06Å; L299-G302 PolarHBondContact O-N 2.89Å; R300-G302 VanDerWaalsContact C-N 3.29Å; R300-G302 PolarHBondContact O-N 3.26Å; G302-R306 WeakPolarHBondContact O-CB 3.35Å; G302-R306 PolarHBondContact O-N 3Å; G302-R306 VanDerWaalsContact O-N 3.13Å |
| 303 | L | 90.6 | Very high | 85.4 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.6 | -46.5 | 173.5 | -69.4 | 171.6 | 0 | 0 | 0 | 111.5 | L299 R300 E305 R306 E307 | L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.16Å; R300-L303 PolarHBondContact O-N 2.95Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E305 PolarHBondContact O-N 3.09Å; L303-R306 PolarHBondContact O-N 3.27Å; L303-E307 PolarHBondContact O-N 3.05Å |
| 304 | D | 92.5 | Very high | 87.1 | Confident | 89 Ų | 89 | 117.2 Ų | 117.2 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58 | -44.1 | 178.9 | -66.1 | -26.4 | 0 | 0 | 0 | 111.4 | R300 Q301 R308 | R300-D304 VanDerWaalsContact O-CG 3.23Å; R300-D304 PolarHBondContact O-N 2.83Å; Q301-D304 PolarHBondContact O-N 3.49Å; D304-R308 PolarHBondContact O-N 2.72Å |
| 305 | E | 91.8 | Very high | 88.7 | Confident | 56 Ų | 56 | 116.3 Ų | 116.3 | 26% | 0.262 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.5 | -34.3 | 176.7 | 174.7 | 62.8 | -175.2 | 0 | 0 | 112.9 | Q301 L303 R308 R309 | Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.35Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E305 PolarHBondContact O-N 3.09Å; E305-R308 PolarHBondContact O-N 3.41Å; E305-R308 IonicContact OE1-CZ 3.26Å; E305-R308 IonicContact OE1-NH2 3.65Å; E305-R308 PolarHBondContact OE1-NH2 3.06Å; E305-R308 IonicContact OE2-CZ 2.64Å; E305-R308 VanDerWaalsContact OE2-CZ 3.26Å; E305-R308 IonicContact OE2-NE 3.93Å; E305-R308 PolarHBondContact OE2-NE 3.19Å; E305-R308 IonicContact OE2-NH2 3.26Å; E305-R308 PolarHBondContact OE2-NH2 3.39Å; E305-R309 WeakPolarHBondContact O-CG 3.02Å; E305-R309 PolarHBondContact O-N 3.04Å; E305-R309 VanDerWaalsContact O-N 3.12Å; E305-R309 IonicContact OE1-CZ 2.72Å; E305-R309 IonicContact OE1-NE 2.96Å; E305-R309 PolarHBondContact OE1-NE 3.49Å; E305-R309 IonicContact OE1-NH2 2.94Å; E305-R309 PolarHBondContact OE1-NH2 2.99Å |
| 306 | R | 91.4 | Very high | 89.1 | Confident | 179 Ų | 179 | 117.5 Ų | 117.5 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -45 | 173.3 | -179.1 | -179.2 | -76.9 | -165.3 | -3.1 | 110.8 | G302 L303 R309 I310 | G302-R306 WeakPolarHBondContact O-CB 3.35Å; G302-R306 PolarHBondContact O-N 3Å; G302-R306 VanDerWaalsContact O-N 3.13Å; L303-R306 PolarHBondContact O-N 3.27Å; R306-R309 PolarHBondContact O-N 3.47Å; R306-I310 HydrophobicContact CG-CD1 4.32Å; R306-I310 WeakPolarHBondContact O-CG1 3.42Å; R306-I310 PolarHBondContact O-N 3.02Å |
| 307 | E | 92.9 | Very high | 89 | Confident | 104 Ų | 104 | 118.1 Ų | 118.1 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -38.7 | 177.6 | -153.3 | -156.8 | 176.6 | 0 | 0 | 111.7 | L303 R309 I310 K311 | L303-E307 PolarHBondContact O-N 3.05Å; E307-R309 PolarHBondContact O-N 3.43Å; E307-I310 PolarHBondContact O-N 3.08Å; E307-K311 VanDerWaalsContact CD-CE 3.48Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.15Å; E307-K311 VanDerWaalsContact O-N 3.08Å; E307-K311 WeakPolarHBondContact OE1-CE 3.36Å; E307-K311 IonicContact OE1-NZ 3.22Å; E307-K311 PolarHBondContact OE1-NZ 3.12Å; E307-K311 IonicContact OE2-NZ 2.7Å; E307-K311 PolarHBondContact OE2-NZ 3.43Å |
| 308 | R | 94.1 | Very high | 89.2 | Confident | 129 Ų | 129 | 119.3 Ų | 119.3 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.2 | -46 | 175 | -164.1 | 177.4 | 72.2 | 79.6 | 6.5 | 111.9 | D304 E305 K311 E312 | D304-R308 PolarHBondContact O-N 2.72Å; E305-R308 PolarHBondContact O-N 3.41Å; E305-R308 IonicContact OE1-CZ 3.26Å; E305-R308 IonicContact OE1-NH2 3.65Å; E305-R308 PolarHBondContact OE1-NH2 3.06Å; E305-R308 IonicContact OE2-CZ 2.64Å; E305-R308 VanDerWaalsContact OE2-CZ 3.26Å; E305-R308 IonicContact OE2-NE 3.93Å; E305-R308 PolarHBondContact OE2-NE 3.19Å; E305-R308 IonicContact OE2-NH2 3.26Å; E305-R308 PolarHBondContact OE2-NH2 3.39Å; R308-K311 PolarHBondContact O-N 2.92Å; R308-E312 IonicContact NH1-OE2 2.86Å; R308-E312 WeakPolarHBondContact O-CB 3.12Å; R308-E312 PolarHBondContact O-N 3.37Å |
| 309 | R | 94.2 | Very high | 88.8 | Confident | 151 Ų | 151 | 117.2 Ų | 117.2 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.9 | -33.9 | 178.8 | -69.1 | 177.6 | -170.1 | -168.9 | 4.7 | 113.4 | E305 R306 E307 E312 K313 | E305-R309 WeakPolarHBondContact O-CG 3.02Å; E305-R309 PolarHBondContact O-N 3.04Å; E305-R309 VanDerWaalsContact O-N 3.12Å; E305-R309 IonicContact OE1-CZ 2.72Å; E305-R309 IonicContact OE1-NE 2.96Å; E305-R309 PolarHBondContact OE1-NE 3.49Å; E305-R309 IonicContact OE1-NH2 2.94Å; E305-R309 PolarHBondContact OE1-NH2 2.99Å; R306-R309 PolarHBondContact O-N 3.47Å; E307-R309 PolarHBondContact O-N 3.43Å; R309-E312 PolarHBondContact O-N 3.27Å; R309-K313 PolarHBondContact O-N 2.95Å |
| 310 | I | 93.3 | Very high | 88.1 | Confident | 91 Ų | 91 | 119 Ų | 119 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 174.9 | -67.6 | 167.1 | 0 | 0 | 0 | 110.2 | R306 E307 E312 K313 Q314 | R306-I310 HydrophobicContact CG-CD1 4.32Å; R306-I310 WeakPolarHBondContact O-CG1 3.42Å; R306-I310 PolarHBondContact O-N 3.02Å; E307-I310 PolarHBondContact O-N 3.08Å; I310-E312 VanDerWaalsContact C-N 3.32Å; I310-E312 PolarHBondContact O-N 3.21Å; I310-K313 PolarHBondContact O-N 3.14Å; I310-Q314 PolarHBondContact O-N 3.37Å |
| 311 | K | 94.2 | Very high | 86.8 | Confident | 116 Ų | 116 | 115.8 Ų | 115.8 | 50% | 0.504 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -38.6 | 176.5 | -70.6 | 169.6 | -178.7 | 166.4 | 0 | 112 | E307 R308 L315 | E307-K311 VanDerWaalsContact CD-CE 3.48Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.15Å; E307-K311 VanDerWaalsContact O-N 3.08Å; E307-K311 WeakPolarHBondContact OE1-CE 3.36Å; E307-K311 IonicContact OE1-NZ 3.22Å; E307-K311 PolarHBondContact OE1-NZ 3.12Å; E307-K311 IonicContact OE2-NZ 2.7Å; E307-K311 PolarHBondContact OE2-NZ 3.43Å; R308-K311 PolarHBondContact O-N 2.92Å; K311-L315 WeakPolarHBondContact O-CB 3.24Å; K311-L315 PolarHBondContact O-N 3.16Å |
| 312 | E | 92.2 | Very high | 85 | Confident | 109 Ų | 109 | 115.4 Ų | 115.4 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.6 | -47.9 | 176.4 | -170.3 | 155.6 | -142.1 | 0 | 0 | 112.2 | R308 R309 I310 Q314 L315 E316 | R308-E312 IonicContact NH1-OE2 2.86Å; R308-E312 WeakPolarHBondContact O-CB 3.12Å; R308-E312 PolarHBondContact O-N 3.37Å; R309-E312 PolarHBondContact O-N 3.27Å; I310-E312 VanDerWaalsContact C-N 3.32Å; I310-E312 PolarHBondContact O-N 3.21Å; E312-Q314 PolarHBondContact O-N 3.4Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 PolarHBondContact O-N 3.46Å; E312-E316 PolarHBondContact O-N 2.76Å |
| 313 | K | 93.4 | Very high | 82.6 | Confident | 163 Ų | 163 | 118.7 Ų | 118.7 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61 | -42.8 | 174.9 | -76.8 | -169.7 | 174 | -170.2 | 0 | 113 | R309 I310 L315 E316 V317 | R309-K313 PolarHBondContact O-N 2.95Å; I310-K313 PolarHBondContact O-N 3.14Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 2.8Å; K313-E316 PolarHBondContact O-N 3.13Å; K313-V317 PolarHBondContact O-N 3.18Å; K313-V317 VanDerWaalsContact O-N 3.08Å |
| 314 | Q | 88.3 | Confident | 80.1 | Confident | 136 Ų | 136 | 117 Ų | 117 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -36.2 | 175.9 | -72.9 | -170.7 | 12.1 | 0 | 0 | 112.3 | I310 E312 K318 | I310-Q314 PolarHBondContact O-N 3.37Å; E312-Q314 PolarHBondContact O-N 3.4Å; Q314-K318 VanDerWaalsContact O-CB 3.31Å; Q314-K318 WeakPolarHBondContact O-CB 3.41Å; Q314-K318 PolarHBondContact O-N 2.98Å |
| 315 | L | 87.4 | Confident | 77.6 | Confident | 99 Ų | 99 | 120.7 Ų | 120.7 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68 | -36.1 | 176.6 | -162.3 | 77.2 | 0 | 0 | 0 | 112.1 | K311 E312 K313 K319 | K311-L315 WeakPolarHBondContact O-CB 3.24Å; K311-L315 PolarHBondContact O-N 3.16Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 PolarHBondContact O-N 3.46Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 2.8Å; L315-K319 VanDerWaalsContact O-CG 3.28Å; L315-K319 WeakPolarHBondContact O-CG 3.36Å; L315-K319 PolarHBondContact O-N 3.1Å |
| 316 | E | 82.7 | Confident | 75.2 | Confident | 111 Ų | 111 | 124.9 Ų | 124.9 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.4 | -50.4 | 174.9 | -174.1 | 116.1 | -117.4 | 0 | 0 | 111.9 | E312 K313 K318 K319 Q320 | E312-E316 PolarHBondContact O-N 2.76Å; K313-E316 PolarHBondContact O-N 3.13Å; E316-K318 VanDerWaalsContact C-N 3.29Å; E316-K318 PolarHBondContact O-N 3.49Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.07Å; E316-K319 VanDerWaalsContact O-N 3.09Å; E316-Q320 PolarHBondContact O-N 3.26Å; E316-Q320 VanDerWaalsContact O-N 3.07Å |
| 317 | V | 82.5 | Confident | 73 | Confident | 91 Ų | 91 | 121.8 Ų | 121.8 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.3 | -45.7 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | K313 K319 Q320 S321 | K313-V317 PolarHBondContact O-N 3.18Å; K313-V317 VanDerWaalsContact O-N 3.08Å; V317-K319 VanDerWaalsContact C-N 3.32Å; V317-K319 PolarHBondContact O-N 3.35Å; V317-Q320 PolarHBondContact O-N 3.05Å; V317-Q320 VanDerWaalsContact O-N 3.13Å; V317-S321 PolarHBondContact O-N 3.02Å; V317-S321 PolarHBondContact O-OG 3.15Å; V317-S321 VanDerWaalsContact O-OG 3.12Å |
| 318 | K | 79.7 | Confident | 70.7 | Confident | 151 Ų | 151 | 121.7 Ų | 121.7 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.8 | -31.4 | 178.6 | -165.1 | 165.5 | -173.2 | 168.1 | 0 | 113.5 | Q314 E316 T322 | Q314-K318 VanDerWaalsContact O-CB 3.31Å; Q314-K318 WeakPolarHBondContact O-CB 3.41Å; Q314-K318 PolarHBondContact O-N 2.98Å; E316-K318 VanDerWaalsContact C-N 3.29Å; E316-K318 PolarHBondContact O-N 3.49Å; K318-T322 PolarHBondContact O-OG1 2.95Å |
| 319 | K | 75.2 | Confident | 68.2 | Low | 140 Ų | 140 | 120.6 Ų | 120.6 | 61% | 0.609 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.9 | -42.1 | 171.6 | -76.9 | 166.8 | -177.6 | 171.8 | 0 | 111.7 | L315 E316 V317 | L315-K319 VanDerWaalsContact O-CG 3.28Å; L315-K319 WeakPolarHBondContact O-CG 3.36Å; L315-K319 PolarHBondContact O-N 3.1Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.07Å; E316-K319 VanDerWaalsContact O-N 3.09Å; V317-K319 VanDerWaalsContact C-N 3.32Å; V317-K319 PolarHBondContact O-N 3.35Å |
| 320 | Q | 68.7 | Low | 65.6 | Low | 147 Ų | 147 | 118.4 Ų | 118.4 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.8 | -43.4 | 178.9 | -64.3 | -174.4 | 17.8 | 0 | 0 | 111.9 | E316 V317 T322 | E316-Q320 PolarHBondContact O-N 3.26Å; E316-Q320 VanDerWaalsContact O-N 3.07Å; V317-Q320 PolarHBondContact O-N 3.05Å; V317-Q320 VanDerWaalsContact O-N 3.13Å; Q320-T322 VanDerWaalsContact C-N 3.26Å; Q320-T322 PolarHBondContact O-N 2.91Å |
| 321 | S | 57.7 | Low | 63 | Low | 97 Ų | 97 | 120.3 Ų | 120.3 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -8.8 | -176.1 | -54.6 | 0 | 0 | 0 | 0 | 116 | V317 | V317-S321 PolarHBondContact O-N 3.02Å; V317-S321 PolarHBondContact O-OG 3.15Å; V317-S321 VanDerWaalsContact O-OG 3.12Å |
| 322 | T | 51.8 | Low | 60.2 | Low | 112 Ų | 112 | 118.7 Ų | 118.7 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 15 | -171.4 | -40.8 | 0 | 0 | 0 | 0 | 113.7 | K318 Q320 | K318-T322 PolarHBondContact O-OG1 2.95Å; Q320-T322 VanDerWaalsContact C-N 3.26Å; Q320-T322 PolarHBondContact O-N 2.91Å |
| 323 | S | 40.6 | Very low | 57.5 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 79% | 0.79 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -110.1 | 69.3 | -172 | -176.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 324 | G | 37.2 | Very low | 54.7 | Low | 73 Ų | 73 | 119.7 Ų | 119.7 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | | | trans | 121.8 | 93.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 325 | M | 40 | Very low | 52 | Low | 166 Ų | 166 | 117.4 Ų | 117.4 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | | | trans | -143 | 100.6 | 160.3 | -86.6 | -172.9 | 64.3 | 0 | 0 | 112.2 | | |
| 326 | V | 40.9 | Very low | 49.5 | Very low | 145 Ų | 145 | 119.6 Ų | 119.6 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | | | trans | -140.7 | 72 | 158.8 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 327 | N | 46.9 | Very low | 47.2 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 61% | 0.61 | 68% | 0.684 | S | S | * | * | | | | 41.9 | 132.6 | 126.1 | -94.5 | -23.9 | 0 | 0 | 0 | 123.6 | | |
| 328 | K | 43 | Very low | 44.9 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 44% | 0.439 | 70% | 0.695 | S | S | . | * | | | | 92.1 | 105.3 | 127.2 | -73.6 | 178 | 177.7 | -177.7 | 0 | 122.8 | T389 | K328-T389 WeakPolarHBondContact CD-O 3.46Å; K328-T389 PolarHBondContact NZ-O 3.41Å; K328-T389 PolarHBondContact NZ-OG1 3.47Å |
| 329 | N | 41.5 | Very low | 42.7 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 57% | 0.567 | 70% | 0.701 | S | S | * | * | | | | 118.9 | 106.1 | 97.4 | -84.6 | 10.6 | 0 | 0 | 0 | 123 | T388 | N329-T388 PolarHBondContact ND2-O 3.08Š|
| 330 | T | 40.9 | Very low | 40.7 | Very low | 106 Ų | 106 | 122 Ų | 122 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | | 86.5 | 152.5 | 116.3 | -38.1 | 0 | 0 | 0 | 0 | 122 | | |
| 331 | V | 37.6 | Very low | 38.9 | Very low | 130 Ų | 130 | 121 Ų | 121 | 79% | 0.788 | 70% | 0.704 | S | S | * | * | | | trans | 80.2 | 142.3 | 167.6 | -162.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 332 | T | 37.1 | Very low | 37.9 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 50% | 0.503 | 71% | 0.705 | S | S | . | * | | | | -177.2 | 139.9 | -65.2 | -82.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 333 | T | 35.4 | Very low | 37 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | | | trans | 62.1 | 164.9 | 172.4 | 47.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 334 | M | 34.2 | Very low | 36.9 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 79% | 0.793 | 71% | 0.712 | S | S | * | * | | | cis | -134.1 | 145.1 | 10.8 | -112.9 | -150.7 | -66.7 | 0 | 0 | 113.4 | | |
| 335 | S | 31.2 | Very low | 36.7 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | | | trans | 57.6 | 139.2 | 130.2 | -50.6 | 0 | 0 | 0 | 0 | 124 | | |
| 336 | N | 35.9 | Very low | 36.4 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | | | trans | 77 | 85.1 | 139.6 | -64.2 | 0.1 | 0 | 0 | 0 | 121.8 | | |
| 337 | S | 32.7 | Very low | 36 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | | 86.4 | 141.5 | 104 | 76.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 338 | K | 34.7 | Very low | 35.3 | Very low | 180 Ų | 180 | 131 Ų | 131 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | | | trans | 89.6 | 141.7 | 131.1 | -101.5 | 175.2 | -178.7 | 179.4 | 0 | 120.4 | | |
| 339 | F | 34 | Very low | 35 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | 67.1 | 102.1 | 166.2 | -78.2 | -89.7 | 0 | 0 | 0 | 120.8 | | |
| 340 | S | 33.1 | Very low | 34.6 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | | | | 77.1 | 107.3 | 118.1 | -67.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 341 | T | 31.7 | Very low | 34.3 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | | 75 | 174.7 | 118.9 | -39.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 342 | T | 34.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | 64.7 | 93 | 171.4 | 39.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 343 | T | 33.4 | Very low | 34.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | | 33 | 122.3 | 121.2 | 54.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 344 | T | 37.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | | -157.7 | 150 | 110.6 | 6.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 345 | K | 33.9 | Very low | 34.5 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | -74.5 | 140 | 159.7 | -55.6 | 170 | -177.1 | 174.5 | 0 | 107.6 | | |
| 346 | S | 33.3 | Very low | 35 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | | 179.2 | 146.7 | 128.3 | -87.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 347 | R | 33.8 | Very low | 35.3 | Very low | 223 Ų | 223 | 145 Ų | 145 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | 9.6 | 122.8 | 144.7 | -78 | 177.5 | 161 | 164.2 | -5.3 | 119.8 | | |
| 348 | T | 32.2 | Very low | 35.5 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | | 17.6 | 106.8 | 114.5 | 57.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 349 | N | 36.6 | Very low | 35.7 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | | -158.5 | 127.1 | 117.1 | -93.9 | -23.2 | 0 | 0 | 0 | 107.2 | | |
| 350 | M | 31.6 | Very low | 36 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | | | | 66.7 | 91.5 | 64.8 | -67.5 | -84 | -74.8 | 0 | 0 | 113 | | |
| 351 | N | 36.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | | | trans | 83.9 | 153.3 | 132.6 | -59.4 | -2.3 | 0 | 0 | 0 | 122.2 | | |
| 352 | E | 37.5 | Very low | 36.7 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | 75.2 | 76.9 | 148.3 | -77.9 | 169.2 | 108.2 | 0 | 0 | 122 | | |
| 353 | I | 36.4 | Very low | 37.1 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | | | | 45.9 | 99 | 103.1 | -53.5 | 164.2 | 0 | 0 | 0 | 116.2 | K355 | I353-K355 HydrophobicContact CG2-CB 4.49Š|
| 354 | Q | 38.5 | Very low | 37.5 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | -132.8 | 126.3 | 141.1 | -59 | -177.6 | 28.6 | 0 | 0 | 105.9 | | |
| 355 | K | 35.5 | Very low | 37.6 | Very low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | cis | 81.3 | 58.6 | 26.4 | -156.3 | -156.7 | 173.4 | -178.2 | 0 | 115.4 | I353 | I353-K355 HydrophobicContact CG2-CB 4.49Š|
| 356 | T | 40.9 | Very low | 37.8 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | trans | -146.2 | 118.5 | 161.9 | 31.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 357 | H | 41.9 | Very low | 38 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | 59.4 | 150.7 | 148.8 | -54 | -51.3 | 0 | 0 | 0 | 119.4 | | |
| 358 | S | 38.2 | Very low | 38.7 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 51% | 0.51 | 74% | 0.736 | S | S | . | * | | | cis | -171.9 | 160.3 | -15.7 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 359 | R | 38 | Very low | 39.3 | Very low | 230 Ų | 230 | 129.8 Ų | 129.8 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | | | trans | 48.4 | 112.8 | 157.8 | -64.7 | 166.3 | 171.2 | 168.7 | -5 | 115.8 | | |
| 360 | G | 39.7 | Very low | 39.5 | Very low | 42 Ų | 42 | 128.9 Ų | 128.9 | 43% | 0.433 | 73% | 0.727 | S | S | . | * | | | cis | 137.4 | 162.7 | 39.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | N382 | G360-N382 PolarHBondContact O-OD1 3.18Š|
| 361 | A | 42.4 | Very low | 39.7 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | | | trans | 66.5 | 132.3 | -158.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 362 | S | 37.2 | Very low | 39.3 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | cis | -150.1 | 132.7 | -14.3 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 363 | L | 44.3 | Very low | 38.7 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 94% | 0.937 | 70% | 0.698 | S | S | * | * | | | trans | 50.2 | 63.4 | 156.2 | -57.2 | 177.1 | 0 | 0 | 0 | 117.8 | | |
| 364 | S | 41.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 90% | 0.895 | 70% | 0.696 | S | S | * | * | | | trans | -114.5 | 102.4 | 151.7 | -173.9 | 0 | 0 | 0 | 0 | 110 | | |
| 365 | A | 40.2 | Very low | 38.8 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | | | trans | -162.9 | 131.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 366 | K | 38.2 | Very low | 38.9 | Very low | 196 Ų | 196 | 113.4 Ų | 113.4 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | | | cis | -135.8 | 147.8 | -10.2 | -84.6 | 136.9 | -176.7 | 175.3 | 0 | 105.7 | | |
| 367 | G | 37.3 | Very low | 38.8 | Very low | 78 Ų | 78 | 112.3 Ų | 112.3 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | | | | 78.6 | 57.4 | 51.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 368 | S | 47.8 | Very low | 38.8 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 67% | 0.671 | 67% | 0.667 | S | S | * | * | | | trans | -148.2 | 66.1 | 171.7 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | V370 | S368-V370 VanDerWaalsContact C-N 3.3Å; S368-V370 PolarHBondContact OG-N 3.12Å |
| 369 | T | 45.1 | Very low | 39.2 | Very low | 89 Ų | 89 | 111.6 Ų | 111.6 | 55% | 0.546 | 67% | 0.673 | S | S | . | * | | | | -71.4 | 105.1 | 111.8 | 18.8 | 0 | 0 | 0 | 0 | 106.2 | R371 N373 | T369-R371 WeakPolarHBondContact O-CG 3.44Å; T369-R371 PolarHBondContact O-N 2.98Å; T369-N373 VanDerWaalsContact CB-ND2 3.3Å; T369-N373 WeakPolarHBondContact CB-ND2 3.47Å; T369-N373 PolarHBondContact OG1-ND2 3.07Å |
| 370 | V | 40.5 | Very low | 39.6 | Very low | 131 Ų | 131 | 105.3 Ų | 105.3 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | | | trans | -82.1 | 76.6 | 135.3 | 179 | 0 | 0 | 0 | 0 | 103.7 | S368 | S368-V370 VanDerWaalsContact C-N 3.3Å; S368-V370 PolarHBondContact OG-N 3.12Å |
| 371 | R | 36.5 | Very low | 40 | Very low | 150 Ų | 150 | 107.5 Ų | 107.5 | 57% | 0.566 | 67% | 0.669 | S | S | * | * | S | Bend | | 93.1 | 147.3 | 75.3 | -85 | -136.8 | 160.5 | -175.7 | -18.3 | 107.5 | T369 N373 T376 | T369-R371 WeakPolarHBondContact O-CG 3.44Å; T369-R371 PolarHBondContact O-N 2.98Å; R371-N373 HydrophobicContact CG-CB 4.1Å; R371-N373 PolarHBondContact NE-OD1 3.13Å; R371-N373 PolarHBondContact NH2-OD1 3.34Å; R371-T376 PolarHBondContact NH2-OG1 3.03Å |
| 372 | T | 28.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 108 Ų | 108 | 78% | 0.779 | 66% | 0.66 | S | S | * | * | S | Bend | cis | -109.4 | 107.6 | 9.9 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 373 | N | 24.5 | Very low | 40.2 | Very low | 32 Ų | 32 | 109.1 Ų | 109.1 | 17% | 0.171 | 66% | 0.662 | C | S | . | * | | | | 59.3 | 92.3 | 85.9 | -82.6 | -150.6 | 0 | 0 | 0 | 111.1 | T369 R371 T376 | T369-N373 VanDerWaalsContact CB-ND2 3.3Å; T369-N373 WeakPolarHBondContact CB-ND2 3.47Å; T369-N373 PolarHBondContact OG1-ND2 3.07Å; R371-N373 HydrophobicContact CG-CB 4.1Å; R371-N373 PolarHBondContact NE-OD1 3.13Å; R371-N373 PolarHBondContact NH2-OD1 3.34Å; N373-T376 PolarHBondContact OD1-OG1 3.44Å |
| 374 | T | 34.9 | Very low | 40.3 | Very low | 106 Ų | 106 | 106.9 Ų | 106.9 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | S | Bend | cis | 58.6 | 93.5 | 33.5 | -25.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 375 | A | 42.5 | Very low | 39.9 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 80% | 0.802 | 64% | 0.643 | S | S | * | * | | | trans | 49.3 | -140.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 376 | T | 36.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 106.5 Ų | 106.5 | 50% | 0.497 | 65% | 0.648 | S | S | . | * | | | trans | 59 | 101 | -179.8 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | R371 N373 | R371-T376 PolarHBondContact NH2-OG1 3.03Å; N373-T376 PolarHBondContact OD1-OG1 3.44Å |
| 377 | S | 39.4 | Very low | 39.5 | Very low | 83 Ų | 83 | 102.5 Ų | 102.5 | 58% | 0.58 | 64% | 0.64 | S | S | * | * | | | cis | -167.6 | 172.5 | 8.2 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 378 | N | 40.6 | Very low | 39.6 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | | | | 172.2 | 153.7 | 113.5 | -76 | -21.1 | 0 | 0 | 0 | 109.9 | | |
| 379 | I | 48 | Very low | 39 | Very low | 125 Ų | 125 | 101.4 Ų | 101.4 | 64% | 0.641 | 61% | 0.614 | S | S | * | * | | | cis | -178.2 | 146.3 | -40.9 | -110.4 | 168.3 | 0 | 0 | 0 | 106.6 | | |
| 380 | T | 46.5 | Very low | 38.5 | Very low | 99 Ų | 99 | 102.6 Ų | 102.6 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | | | trans | 65.2 | 157.9 | 173.8 | 30.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 381 | S | 46.1 | Very low | 38.2 | Very low | 87 Ų | 87 | 102.9 Ų | 102.9 | 61% | 0.608 | 62% | 0.623 | S | S | * | * | | | cis | -163.5 | 156 | 4.3 | 30.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 382 | N | 45.6 | Very low | 38.1 | Very low | 99 Ų | 99 | 101.6 Ų | 101.6 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | | | trans | 51.3 | 111.5 | 149.1 | -50 | 3.1 | 0 | 0 | 0 | 119.6 | G360 | G360-N382 PolarHBondContact O-OD1 3.18Š|
| 383 | V | 40.1 | Very low | 38.3 | Very low | 124 Ų | 124 | 99.5 Ų | 99.5 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | | | | 89.1 | 111 | 62.7 | 169.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 384 | T | 44.7 | Very low | 38.5 | Very low | 132 Ų | 132 | 109.1 Ų | 109.1 | 81% | 0.81 | 68% | 0.675 | S | S | * | * | | | trans | 174.4 | 145.8 | 138.2 | -73.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 385 | A | 33.8 | Very low | 38.2 | Very low | 74 Ų | 74 | 108.9 Ų | 108.9 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | | | trans | 50.7 | 97.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 386 | T | 33.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | | | | 52 | 121.6 | 87.9 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 387 | T | 35.9 | Very low | 37.6 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | | | cis | -161.8 | -176.7 | 4.4 | -3.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 388 | T | 40.6 | Very low | 37.5 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 49% | 0.491 | 70% | 0.695 | S | S | . | * | | | cis | -145.3 | 175 | 3.2 | 0.2 | 0 | 0 | 0 | 0 | 105.6 | N329 | N329-T388 PolarHBondContact ND2-O 3.08Š|
| 389 | T | 35.8 | Very low | 37.6 | Very low | 72 Ų | 72 | 112.9 Ų | 112.9 | 44% | 0.442 | 70% | 0.702 | S | S | . | * | | | cis | -155.5 | 131.6 | 7.5 | 3.1 | 0 | 0 | 0 | 0 | 103.6 | K328 | K328-T389 WeakPolarHBondContact CD-O 3.46Å; K328-T389 PolarHBondContact NZ-O 3.41Å; K328-T389 PolarHBondContact NZ-OG1 3.47Å |
| 390 | T | 33.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 113.9 Ų | 113.9 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | | | cis | 60.4 | 144.7 | 39.3 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 391 | T | 33.9 | Very low | 37 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | | | cis | -126 | 131 | 15.2 | 43 | 0 | 0 | 0 | 0 | 115 | | |
| 392 | S | 35.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | | | trans | -126.3 | 147.3 | 140.9 | 66.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 393 | G | 32.9 | Very low | 36.4 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | | | trans | 88.7 | 104.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 394 | R | 27.1 | Very low | 36.5 | Very low | 235 Ų | 235 | 123 Ų | 123 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | | | trans | -142 | 129.3 | 140.8 | -179.6 | 167.4 | 171.2 | 171.2 | -5.3 | 108.2 | | |
| 395 | S | 29 | Very low | 36.1 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | trans | 27.9 | 128.4 | 150 | -53.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 396 | S | 31.7 | Very low | 36.5 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | cis | -157 | 136.9 | 12.1 | -75.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 397 | S | 35.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | | | trans | -140.1 | 76.1 | 142 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | T399 | S397-T399 PolarHBondContact O-N 3.41Š|
| 398 | T | 38.2 | Very low | 36.6 | Very low | 110 Ų | 110 | 129 Ų | 129 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | trans | -62.8 | 119.8 | 162.5 | 42.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 399 | T | 40.7 | Very low | 36.7 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | | | trans | 53.1 | 117.2 | 141.1 | -21.9 | 0 | 0 | 0 | 0 | 115.2 | S397 | S397-T399 PolarHBondContact O-N 3.41Š|
| 400 | I | 42.2 | Very low | 36.9 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | | -167.5 | 122.7 | 87.4 | -94.3 | 165.2 | 0 | 0 | 0 | 111 | | |
| 401 | N | 40.5 | Very low | 37.3 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | | | trans | 46.7 | 128.9 | 139.2 | -72 | -67 | 0 | 0 | 0 | 123.4 | | |
| 402 | K | 42.3 | Very low | 37.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 80.3 | 105.5 | 126.2 | -68.1 | 168.9 | -170 | 169 | 0 | 120.3 | | |
| 403 | K | 37.1 | Very low | 38.1 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | | 89.6 | 145.7 | 126.9 | -87 | -164.5 | 168.5 | -169.3 | 0 | 118.7 | | |
| 404 | P | 41.5 | Very low | 38.4 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | | | trans | -98.4 | 173.5 | 179.4 | 41.3 | -36.4 | 0 | 0 | 0 | 111.9 | | |
| 405 | Q | 37.6 | Very low | 39.2 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | | | | -172.9 | 151.8 | 123.1 | -111 | -173.5 | -46.6 | 0 | 0 | 113.4 | | |
| 406 | V | 42.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | | | trans | 68.7 | 144.2 | 141 | 166.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 407 | T | 36.6 | Very low | 40 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | | | cis | -163.8 | 156.3 | -24.8 | -88 | 0 | 0 | 0 | 0 | 108 | | |
| 408 | M | 33.5 | Very low | 40 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | | | trans | -20 | 142.5 | 160.6 | -50.9 | -65.7 | 177.8 | 0 | 0 | 116.8 | | |
| 409 | T | 42.2 | Very low | 40.1 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 87% | 0.871 | 67% | 0.666 | S | S | * | * | | | | -165 | 160.4 | 103.7 | 15 | 0 | 0 | 0 | 0 | 115 | | |
| 410 | K | 41.6 | Very low | 39.7 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | | | trans | -57.7 | 166.3 | 169.9 | -50.2 | 166.7 | -177.3 | 175.5 | 0 | 109.8 | | |
| 411 | L | 40.8 | Very low | 39.3 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | | | cis | -168.1 | 125.4 | 37.3 | -172.2 | 66.6 | 0 | 0 | 0 | 113.2 | | |
| 412 | D | 42.4 | Very low | 38.8 | Very low | 79 Ų | 79 | 128 Ų | 128 | 42% | 0.422 | 68% | 0.675 | S | S | . | * | | | trans | 8.9 | 125.8 | 132.5 | -171.7 | 25.1 | 0 | 0 | 0 | 119 | R1427 | D412-R1427 VanDerWaalsContact CG-NH2 3.33Å; D412-R1427 IonicContact OD1-NH2 2.97Å; D412-R1427 PolarHBondContact OD1-NH2 3.1Å; D412-R1427 IonicContact OD2-CZ 2.7Å; D412-R1427 IonicContact OD2-NH1 3.35Å; D412-R1427 PolarHBondContact OD2-NH1 3.22Å; D412-R1427 IonicContact OD2-NH2 2.69Å; D412-R1427 PolarHBondContact OD2-NH2 3.16Å |
| 413 | K | 44.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 52% | 0.522 | 68% | 0.675 | S | S | . | * | | | | 145.2 | 75.5 | 129.7 | -73.3 | 179.6 | -170.7 | 169 | 0 | 120 | K1425 | K413-K1425 PolarHBondContact O-NZ 2.8Š|
| 414 | R | 39.7 | Very low | 38.3 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 32% | 0.321 | 67% | 0.669 | S | S | . | * | | | | 66.1 | 169.7 | 96.7 | -152.9 | -177.5 | 176.7 | -102.8 | 2 | 116.2 | K1425 S1426 R1427 | R414-K1425 HydrophobicContact CB-CB 4.44Å; R414-K1425 HydrophobicContact CB-CD 4.29Å; R414-K1425 HydrophobicContact CB-CG 3.38Å; R414-K1425 HydrophobicContact CG-CB 3.98Å; R414-K1425 HydrophobicContact CG-CG 3.29Å; R414-K1425 PolarHBondContact O-NZ 2.62Å; R414-S1426 VanDerWaalsContact NH1-C 3.25Å; R414-S1426 PolarHBondContact NH1-O 3.24Å; R414-S1426 PolarHBondContact NH2-O 2.83Å; R414-R1427 VanDerWaalsContact NH1-CB 3.26Å |
| 415 | I | 43.3 | Very low | 38.1 | Very low | 103 Ų | 103 | 127 Ų | 127 | 53% | 0.528 | 67% | 0.671 | S | S | . | * | | | trans | 99.4 | 100.6 | 178.9 | -135.2 | 169.3 | 0 | 0 | 0 | 114 | I1423 K1425 | I415-I1423 CarbonylContact C-O 2.98Å; I415-I1423 WeakPolarHBondContact O-CG2 3.44Å; I415-K1425 HydrophobicContact CB-CB 3.83Å; I415-K1425 HydrophobicContact CB-CD 3.7Å; I415-K1425 HydrophobicContact CB-CG 3.84Å; I415-K1425 HydrophobicContact CD1-CD 4.04Å; I415-K1425 HydrophobicContact CG1-CB 3.85Å; I415-K1425 HydrophobicContact CG1-CD 3.97Å; I415-K1425 HydrophobicContact CG1-CG 4.26Å; I415-K1425 VanDerWaalsContact N-CG 3.3Å |
| 416 | T | 42.5 | Very low | 37.9 | Very low | 50 Ų | 50 | 122.5 Ų | 122.5 | 31% | 0.307 | 67% | 0.672 | S | S | . | * | | | | 49.6 | 135.1 | 78.1 | 35.4 | 0 | 0 | 0 | 0 | 113.4 | I1423 C1424 K1425 | T416-I1423 PolarHBondContact N-O 3.17Å; T416-C1424 HydrophobicContact CG2-CB 3.47Å; T416-C1424 VanDerWaalsContact CG2-CB 3.47Å; T416-K1425 WeakPolarHBondContact CG2-O 3.46Å; T416-K1425 PolarHBondContact OG1-N 3.48Å; T416-K1425 PolarHBondContact OG1-O 3.13Å |
| 417 | S | 35.2 | Very low | 37.7 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 57% | 0.573 | 68% | 0.679 | S | S | * | * | | | cis | -177.8 | 165.1 | -6.9 | 45.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 418 | K | 35.8 | Very low | 37.9 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | | | trans | 67.6 | 166.1 | 150.2 | -81.3 | -173.8 | 173.2 | -167.7 | 0 | 114.6 | | |
| 419 | P | 41 | Very low | 37.9 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 59% | 0.591 | 68% | 0.678 | S | S | * | * | | | | -138.4 | -157.3 | -54.8 | 41.3 | -23.8 | 0 | 0 | 0 | 110.3 | | |
| 420 | D | 32.2 | Very low | 37.6 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | | | trans | 35.9 | 118.2 | 144.5 | -46.7 | -28.4 | 0 | 0 | 0 | 119.3 | | |
| 421 | S | 32.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | | | | -173.8 | 149.4 | 93.9 | 39.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 422 | S | 31.2 | Very low | 37.3 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | | | trans | -0.4 | 120.8 | 159.5 | 58.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 423 | L | 34.8 | Very low | 36.9 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | | | | -166.2 | 156.1 | 123 | -85 | -149 | 0 | 0 | 0 | 108.1 | | |
| 424 | R | 32.7 | Very low | 36.3 | Very low | 197 Ų | 197 | 123 Ų | 123 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | | | cis | -176.4 | 146.9 | -25.3 | -156.8 | -170.4 | -159.4 | 148.1 | -1.1 | 107.4 | | |
| 425 | T | 37.6 | Very low | 35.9 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | | | trans | 42.8 | 110.6 | 155.6 | 45.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 426 | G | 34.1 | Very low | 35.1 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | | | trans | -71.9 | 163.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 427 | R | 39 | Very low | 34.3 | Very low | 233 Ų | 233 | 127.3 Ų | 127.3 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -157.4 | 91.7 | 173.3 | -157 | 177.4 | -164.8 | 173.1 | 4.8 | 113.8 | | |
| 428 | V | 39.4 | Very low | 33.8 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | | | trans | 24.5 | 119.4 | 136.4 | -175.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 429 | D | 33.7 | Very low | 33.6 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | | | trans | 77.6 | 119.3 | 145.6 | -60.6 | -1.7 | 0 | 0 | 0 | 125.2 | | |
| 430 | C | 36.9 | Very low | 33 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | trans | 81.4 | 95.6 | 130.1 | -68.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 431 | A | 37.2 | Very low | 33.2 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | | | | 81.2 | 148.8 | 117.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 432 | T | 37.6 | Very low | 33.4 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | | | trans | 86.2 | 102.9 | 152.5 | -36.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 433 | N | 33.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | | | trans | 53.8 | 143 | 141.7 | -66.4 | -29.4 | 0 | 0 | 0 | 124.8 | | |
| 434 | L | 33.3 | Very low | 33.7 | Very low | 127 Ų | 127 | 122 Ų | 122 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | | | trans | 77.7 | 148.4 | 145.9 | -77.5 | 163.2 | 0 | 0 | 0 | 121.8 | | |
| 435 | T | 30.4 | Very low | 33.8 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 54% | 0.54 | 69% | 0.689 | S | S | . | * | | | trans | 66.9 | 118.7 | 157.3 | 34.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 436 | S | 25.6 | Very low | 33.7 | Very low | 97 Ų | 97 | 116.4 Ų | 116.4 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | | | | 42.9 | 142.9 | 117.7 | -48.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 437 | N | 26.2 | Very low | 33.9 | Very low | 145 Ų | 145 | 118 Ų | 118 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | | | trans | 71.1 | 119.3 | 157.8 | -66.2 | -5.6 | 0 | 0 | 0 | 115 | | |
| 438 | S | 25.7 | Very low | 33.6 | Very low | 90 Ų | 90 | 112.2 Ų | 112.2 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | | | | 78.9 | 142.7 | 79.9 | 98.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 439 | T | 30.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | | | trans | 1.7 | 141.7 | 145.5 | 51.4 | 0 | 0 | 0 | 0 | 119 | | |
| 440 | N | 29.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 113.6 Ų | 113.6 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | | | trans | 78.8 | 160.4 | 173.3 | -42.9 | -57.6 | 0 | 0 | 0 | 114.4 | | |
| 441 | A | 34.6 | Very low | 33.9 | Very low | 78 Ų | 78 | 120 Ų | 120 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | | | cis | -175.9 | 166 | -35.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 442 | S | 37.3 | Very low | 33.8 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | | | trans | 67.7 | 171.5 | 154.2 | -67.4 | 0 | 0 | 0 | 0 | 117.2 | N824 | S442-N824 CarbonylContact C-O 3.55Š|
| 443 | R | 36.3 | Very low | 33.7 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | | | cis | -165.5 | 148.2 | -26.3 | -107 | 168.2 | 155.1 | -167 | -6.4 | 111.3 | N824 R825 | R443-N824 WeakPolarHBondContact CA-O 3.5Å; R443-N824 PolarHBondContact N-O 3Å; R443-R825 CarbonylContact C-O 2.99Å; R443-R825 WeakPolarHBondContact CA-O 3.45Å; R443-R825 PolarHBondContact N-O 3.28Å |
| 444 | S | 36.3 | Very low | 33.7 | Very low | 63 Ų | 63 | 122.5 Ų | 122.5 | 44% | 0.441 | 66% | 0.66 | S | S | . | * | | | trans | 68.8 | 154 | 150 | 86.2 | 0 | 0 | 0 | 0 | 118.2 | N824 R825 R826 | S444-N824 PolarHBondContact N-OD1 3.3Å; S444-R825 WeakPolarHBondContact O-CB 3.42Å; S444-R826 VanDerWaalsContact O-CB 3.22Å; S444-R826 WeakPolarHBondContact O-CB 3.47Å |
| 445 | N | 35 | Very low | 33.8 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 44% | 0.439 | 67% | 0.665 | S | S | . | * | | | cis | -140.3 | 168.7 | -18.9 | -157 | 3.2 | 0 | 0 | 0 | 109.9 | R825 | N445-R825 PolarHBondContact OD1-NH1 3.08Å; N445-R825 VanDerWaalsContact OD1-NH1 3.13Å; N445-R825 PolarHBondContact OD1-NH2 3.2Å; N445-R825 VanDerWaalsContact OD1-NH2 3.16Å |
| 446 | L | 36.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 63% | 0.634 | 67% | 0.667 | S | S | * | * | | | trans | 69.9 | 144.2 | 162.5 | -58.9 | 168.9 | 0 | 0 | 0 | 117.5 | R825 | L446-R825 VanDerWaalsContact N-NH2 3.11Š|
| 447 | T | 37.5 | Very low | 34 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | | | cis | -174.7 | 159.5 | -27.9 | 8.1 | 0 | 0 | 0 | 0 | 106 | | |
| 448 | D | 32.6 | Very low | 34.1 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 60% | 0.599 | 67% | 0.667 | S | S | * | * | | | cis | -156.5 | -156.5 | -3.5 | -155.9 | 6.4 | 0 | 0 | 0 | 105.7 | | |
| 449 | R | 38 | Very low | 34.2 | Very low | 202 Ų | 202 | 128 Ų | 128 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | | | cis | -153.5 | 144.1 | -1.2 | -178.7 | 155.8 | -72.7 | -174.4 | 0.3 | 112.5 | | |
| 450 | S | 36.6 | Very low | 34.1 | Very low | 84 Ų | 84 | 129 Ų | 129 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | | | trans | -13.8 | 149.2 | 150.2 | 110.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 451 | R | 40.6 | Very low | 34 | Very low | 239 Ų | 239 | 131.2 Ų | 131.2 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | | | cis | -156.7 | 161.1 | 8.3 | -84.9 | 140.1 | -179.6 | -167.9 | 0.4 | 107.1 | | |
| 452 | G | 35.2 | Very low | 33.6 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | | | cis | 131.3 | 143.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 453 | R | 36.1 | Very low | 33.2 | Very low | 233 Ų | 233 | 134.1 Ų | 134.1 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | | | trans | 74.6 | 152.7 | 169.2 | -49.8 | -163.1 | 172.8 | -159.1 | -2.6 | 115.7 | | |
| 454 | L | 33.9 | Very low | 32.8 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | | | cis | -165.7 | 156 | -9.1 | -134.4 | 48.4 | 0 | 0 | 0 | 110.7 | | |
| 455 | F | 34.8 | Very low | 32.5 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | | | trans | 56.1 | 164 | 147.9 | -64.5 | -22.8 | 0 | 0 | 0 | 120.7 | | |
| 456 | S | 30.6 | Very low | 32.3 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | | | cis | -163.9 | 151.3 | -32 | -96.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 457 | Q | 30.3 | Very low | 32.1 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | 41 | 111 | 140.7 | -63 | -179.8 | -49.1 | 0 | 0 | 122 | | |
| 458 | T | 27.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 143 Ų | 143 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | | 72.1 | 160.1 | 124.4 | 68.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 459 | N | 27.8 | Very low | 31.9 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | | | trans | 84.4 | 109.4 | 143.3 | -73 | -24 | 0 | 0 | 0 | 120.8 | | |
| 460 | N | 28.8 | Very low | 31.7 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | | 80.5 | 138.4 | 126 | -63.7 | -27.9 | 0 | 0 | 0 | 120.9 | | |
| 461 | K | 28.5 | Very low | 31.5 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | | | trans | 66.1 | 114.3 | 161.5 | -63.3 | 167.2 | -177.6 | -179.5 | 0 | 114.8 | | |
| 462 | A | 25.9 | Very low | 31 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | | | | 72.2 | 89.7 | 53.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 463 | T | 28.7 | Very low | 30.9 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | | | trans | -159.9 | 118.7 | 140.2 | 22.4 | 0 | 0 | 0 | 0 | 105.3 | | |
| 464 | V | 27.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | | 55.9 | 107.1 | 66.5 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 465 | K | 29.9 | Very low | 30.7 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | | | | -178.6 | 125.5 | 125.6 | -101.9 | 177.7 | 179.9 | -179.8 | 0 | 113.5 | | |
| 466 | H | 31.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | trans | 67.9 | 157.6 | 147.8 | -58 | -36.1 | 0 | 0 | 0 | 117.4 | | |
| 467 | R | 30.9 | Very low | 30.7 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | cis | 175 | 129.2 | -16.3 | 171 | -167.6 | -152.2 | 177.2 | 5.6 | 104 | | |
| 468 | G | 32.1 | Very low | 31 | Very low | 59 Ų | 59 | 138.8 Ų | 138.8 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | cis | 149.3 | 170 | 8.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 469 | V | 34.5 | Very low | 31.2 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | 58.7 | 146.5 | 178.9 | -98.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 470 | N | 33.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | | | cis | -148.2 | 157 | 23.4 | -96.6 | -58.8 | 0 | 0 | 0 | 111.2 | | |
| 471 | R | 32.8 | Very low | 31.8 | Very low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | | | trans | 43 | 144.1 | 130.1 | -55.5 | 173.9 | -158.2 | -138.9 | -0.7 | 120.6 | | |
| 472 | S | 31 | Very low | 31.9 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 53% | 0.531 | 74% | 0.741 | S | S | . | * | | | cis | 179.2 | 153.5 | -6.6 | -105.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 473 | F | 32 | Very low | 32.4 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | trans | 62.3 | 154.5 | 151.4 | -52.7 | -39.6 | 0 | 0 | 0 | 117.8 | | |
| 474 | M | 34.7 | Very low | 32.6 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | | | cis | -147.4 | 155.9 | -3.8 | -132 | 157.5 | 74.4 | 0 | 0 | 111 | | |
| 475 | T | 32.2 | Very low | 33 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | trans | -113.1 | 157.2 | 174.6 | 47.4 | 0 | 0 | 0 | 0 | 111 | | |
| 476 | P | 33.2 | Very low | 33.1 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | trans | -95.2 | 128.6 | 147.3 | -8.2 | 27.2 | 0 | 0 | 0 | 111.4 | | |
| 477 | T | 31.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | trans | -88.4 | 163.1 | 156.4 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 478 | T | 36.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | | -158.1 | 152.1 | 75.7 | 35.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 479 | S | 31.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | cis | 86.1 | 137.1 | 33.1 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 480 | S | 33.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | cis | -111.4 | -147.9 | 0.4 | 60 | 0 | 0 | 0 | 0 | 110.9 | | |
| 481 | D | 34.1 | Very low | 33.4 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | cis | -147.3 | -145.2 | 4.7 | -150.3 | -94.7 | 0 | 0 | 0 | 113 | | |
| 482 | A | 32.1 | Very low | 33.6 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 75% | 0.75 | S | S | * | * | | | trans | -120.4 | 161.5 | -169 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 483 | K | 36.5 | Very low | 33.6 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | | -154.8 | 155.2 | 61.9 | -84.2 | 171.9 | 179.1 | 166.2 | 0 | 114.3 | | |
| 484 | Q | 31.1 | Very low | 33.8 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -98.9 | 145.1 | 168.8 | -56.4 | 173.7 | 17 | 0 | 0 | 110.4 | | |
| 485 | V | 36.9 | Very low | 34 | Very low | 142 Ų | 142 | 139 Ų | 139 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | trans | -131 | 140 | 148.9 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 486 | K | 31.7 | Very low | 33.9 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | | | trans | -148.2 | 92.6 | -163.4 | 179.5 | -172.2 | 175.8 | 179.8 | 0 | 111.5 | | |
| 487 | T | 36.8 | Very low | 33.8 | Very low | 122 Ų | 122 | 143 Ų | 143 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -164.8 | 145.6 | 179.7 | 26.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 488 | R | 36 | Very low | 33.8 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | cis | -160.3 | 169.4 | -14.4 | -155 | 173.9 | 162.1 | 171 | -5.5 | 110.1 | | |
| 489 | E | 32.3 | Very low | 34.2 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | trans | -29.5 | 147.6 | 156.6 | -52.9 | 156 | 137.7 | 0 | 0 | 113.1 | | |
| 490 | S | 32.6 | Very low | 34.3 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | | -174.6 | 116.3 | 73.2 | 166.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 491 | I | 32.2 | Very low | 34.3 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | | | trans | 43.6 | 138.5 | 132.7 | -20.9 | 164.3 | 0 | 0 | 0 | 121.9 | | |
| 492 | R | 37.1 | Very low | 34.2 | Very low | 221 Ų | 221 | 143.4 Ų | 143.4 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | 89.2 | 141.8 | 157.3 | -50.8 | 178.5 | -161.7 | -113.4 | -3.9 | 116 | | |
| 493 | S | 31.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | cis | 164.8 | 121.6 | -25 | -96.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 494 | M | 35.3 | Very low | 34.5 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | 11.2 | 154.2 | 141.6 | -68.6 | -67.6 | -159.2 | 0 | 0 | 121 | | |
| 495 | P | 38.3 | Very low | 34.5 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -143.9 | -167.1 | -16.3 | 40.5 | -19.7 | 0 | 0 | 0 | 115.2 | | |
| 496 | N | 31.1 | Very low | 34.4 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -26.4 | 147.9 | 161.4 | -57 | -19.2 | 0 | 0 | 0 | 118.2 | | |
| 497 | E | 31.6 | Very low | 34.5 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | | -164.6 | 177.4 | 101.9 | -106.2 | 178.2 | -157.3 | 0 | 0 | 112.7 | | |
| 498 | S | 31.9 | Very low | 34.5 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -163.5 | -178 | -169 | -47.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 499 | P | 43.7 | Very low | 34.4 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | | -124.8 | -155.4 | -62.6 | 32.6 | -12.7 | 0 | 0 | 0 | 110.8 | | |
| 500 | I | 34.8 | Very low | 34.6 | Very low | 144 Ų | 144 | 144 Ų | 144 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | 132.2 | 129.8 | 142.4 | -67.8 | 155.6 | 0 | 0 | 0 | 117.3 | | |
| 501 | S | 32.9 | Very low | 34.8 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | 73.3 | 155.5 | 159.5 | 77.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 502 | S | 32.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | cis | -145.5 | 173.9 | 15.5 | 59.9 | 0 | 0 | 0 | 0 | 114 | | |
| 503 | S | 34 | Very low | 34.9 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -111.5 | 165.7 | -178.8 | -42.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 504 | P | 39.5 | Very low | 35 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -134.8 | -176.6 | 138.5 | 36.8 | -23.7 | 0 | 0 | 0 | 114.4 | | |
| 505 | K | 32 | Very low | 35.2 | Very low | 201 Ų | 201 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -124 | 154.2 | -172.2 | -53.3 | 170.7 | -179.4 | 174.7 | 0 | 112.7 | | |
| 506 | C | 35.6 | Very low | 35.1 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | | | trans | -166.3 | 134.7 | 137.5 | -85.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 507 | D | 32.9 | Very low | 35.2 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | | | cis | 77.7 | 109.9 | 25.9 | -160.3 | 5.9 | 0 | 0 | 0 | 115.6 | | |
| 508 | S | 36.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -160.8 | 143.9 | 161 | -86.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 509 | R | 34.7 | Very low | 35.4 | Very low | 217 Ų | 217 | 137.9 Ų | 137.9 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | | | trans | -110.1 | 153.7 | -162.7 | -50.4 | 165.5 | 179.1 | 176.7 | -3.1 | 113.5 | | |
| 510 | R | 36 | Very low | 34.8 | Very low | 216 Ų | 216 | 136.8 Ų | 136.8 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | | | | -172.5 | 127.8 | 123.7 | -98.7 | 156.5 | -172.4 | -97.7 | 2.1 | 108.5 | | |
| 511 | T | 36.5 | Very low | 34.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 61% | 0.607 | 79% | 0.787 | S | S | * | * | | | | 51.1 | 135.2 | 66.1 | 49 | 0 | 0 | 0 | 0 | 114.4 | | |
| 512 | Y | 35.6 | Very low | 34.8 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | cis | -142.8 | 169.8 | 10.9 | -54.1 | -100.7 | 0 | 0 | 0 | 109.1 | | |
| 513 | E | 35.9 | Very low | 34.7 | Very low | 159 Ų | 159 | 143 Ų | 143 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | cis | -159.8 | 178.8 | -7.5 | -133 | 173 | -119.6 | 0 | 0 | 111.2 | | |
| 514 | S | 33.4 | Very low | 34.5 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -141 | 144.2 | 163.5 | -67.1 | 0 | 0 | 0 | 0 | 110 | | |
| 515 | P | 40.4 | Very low | 34.3 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | -144 | 125.5 | 145.3 | 30.1 | -10.9 | 0 | 0 | 0 | 117.2 | | |
| 516 | I | 34.6 | Very low | 34.3 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | | | | 54.4 | 119.1 | 122 | -54.9 | 159.3 | 0 | 0 | 0 | 118.8 | | |
| 517 | G | 34.6 | Very low | 34 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -156.3 | 27.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 518 | N | 34.3 | Very low | 34.1 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | 16.2 | 137.6 | 163.7 | -61.6 | -20.2 | 0 | 0 | 0 | 122.9 | | |
| 519 | S | 33.5 | Very low | 33.8 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | | | trans | 102.7 | 94.4 | 141.3 | -152.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 520 | A | 30.8 | Very low | 33.4 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | | | trans | 54 | 106.8 | 132 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 521 | K | 33.1 | Very low | 32.9 | Very low | 212 Ų | 212 | 134.6 Ų | 134.6 | 92% | 0.922 | 72% | 0.721 | S | S | * | * | | | trans | -156 | 151.9 | 141.1 | -104.8 | 150 | -172 | 172.4 | 0 | 110.5 | | |
| 522 | K | 34 | Very low | 32.5 | Very low | 170 Ų | 170 | 133 Ų | 133 | 74% | 0.739 | 73% | 0.725 | S | S | * | * | | | trans | -89.5 | 151.9 | 171.4 | -54.9 | 179.8 | -177.8 | -179.9 | 0 | 110.3 | I524 | K522-I524 VanDerWaalsContact C-N 3.31Å; K522-I524 HydrophobicContact CD-CD1 3.94Å; K522-I524 HydrophobicContact CD-CG1 3.95Å; K522-I524 PolarHBondContact O-N 3.17Å |
| 523 | P | 31.2 | Very low | 32.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | | | trans | -90.4 | 72.1 | 143.3 | 34.3 | -28.9 | 0 | 0 | 0 | 110.2 | T525 | P523-T525 PolarHBondContact O-N 3.16Š|
| 524 | I | 29.2 | Very low | 31.9 | Very low | 105 Ų | 105 | 124 Ų | 124 | 54% | 0.538 | 71% | 0.705 | S | S | . | * | | | trans | -77.7 | 97.2 | 131 | -66.1 | 179.8 | 0 | 0 | 0 | 104.1 | K522 | K522-I524 VanDerWaalsContact C-N 3.31Å; K522-I524 HydrophobicContact CD-CD1 3.94Å; K522-I524 HydrophobicContact CD-CG1 3.95Å; K522-I524 PolarHBondContact O-N 3.17Å |
| 525 | T | 34.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | | | trans | -121.4 | 50.6 | 154.8 | 50.6 | 0 | 0 | 0 | 0 | 107.3 | P523 | P523-T525 PolarHBondContact O-N 3.16Š|
| 526 | S | 32 | Very low | 31.4 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | | | | -44.1 | 80.1 | 94.4 | -160.4 | 0 | 0 | 0 | 0 | 116.7 | F528 | S526-F528 WeakPolarHBondContact OG-CD2 3.39Š|
| 527 | T | 30.9 | Very low | 31 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 56% | 0.558 | 70% | 0.697 | S | S | * | * | | | trans | -133.8 | 114.1 | 143 | 47.7 | 0 | 0 | 0 | 0 | 104.3 | | |
| 528 | F | 33.8 | Very low | 31 | Very low | 189 Ų | 189 | 130.3 Ų | 130.3 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | | | cis | 51.7 | 36.8 | 39.8 | -75.7 | -73.3 | 0 | 0 | 0 | 113.4 | S526 | S526-F528 WeakPolarHBondContact OG-CD2 3.39Š|
| 529 | L | 29.9 | Very low | 30.9 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | | | trans | -115 | 128.1 | 147.1 | -60.9 | 178.8 | 0 | 0 | 0 | 108 | | |
| 530 | R | 27.7 | Very low | 30.9 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | | | cis | -158.8 | 152.4 | -21.7 | -123.5 | 168.4 | -154.6 | -173.5 | 8.1 | 106.9 | | |
| 531 | R | 24.7 | Very low | 30.9 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 73% | 0.725 | 68% | 0.684 | S | S | * | * | | | | 36.8 | 135.4 | 111.2 | -60.4 | -174.9 | -174.5 | -159.9 | 0.3 | 115.5 | T533 | R531-T533 HydrophobicContact CB-CG2 4.1Å; R531-T533 HydrophobicContact CG-CG2 3.87Å |
| 532 | G | 29 | Very low | 30.7 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 68% | 0.677 | S | S | * | * | | | cis | -71.8 | 158.8 | 15.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 533 | T | 28.7 | Very low | 30.6 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | | | cis | 70.6 | 129.1 | 22.9 | 75.1 | 0 | 0 | 0 | 0 | 114.9 | R531 | R531-T533 HydrophobicContact CB-CG2 4.1Å; R531-T533 HydrophobicContact CG-CG2 3.87Å |
| 534 | A | 30.3 | Very low | 30.4 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 47% | 0.471 | 68% | 0.679 | S | S | . | * | | | cis | -82.8 | 156.4 | 3.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1063 | A534-F1063 HydrophobicContact CB-CD1 4.38Å; A534-F1063 HydrophobicContact CB-CD2 3.86Å; A534-F1063 HydrophobicContact CB-CE1 3.93Å; A534-F1063 HydrophobicContact CB-CE2 3.36Å; A534-F1063 HydrophobicContact CB-CG 4.36Å; A534-F1063 HydrophobicContact CB-CZ 3.4Å; A534-F1063 VanDerWaalsContact CB-CZ 3.4Å |
| 535 | Q | 29.8 | Very low | 30.4 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | | | cis | 87.7 | 45.8 | 3.2 | -145.9 | -168.1 | -54.4 | 0 | 0 | 119.1 | | |
| 536 | G | 32 | Very low | 30.1 | Very low | 51 Ų | 51 | 128.6 Ų | 128.6 | 53% | 0.526 | 69% | 0.693 | S | S | . | * | | | trans | -140.3 | 127.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 537 | R | 27.9 | Very low | 30 | Very low | 229 Ų | 229 | 131.8 Ų | 131.8 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | | | cis | 63.1 | 86.6 | 10.6 | -153.8 | -168.8 | -154.4 | -151.8 | 7.9 | 111.4 | | |
| 538 | I | 34.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | | | | -146.2 | 150.2 | 79.4 | -75.9 | 133.6 | 0 | 0 | 0 | 109.7 | I540 | I538-I540 HydrophobicContact CG2-CG1 4.29Š|
| 539 | G | 31.3 | Very low | 29.8 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | | | cis | 122 | 37.7 | 9.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 540 | I | 33.4 | Very low | 29.8 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | | | trans | -129.2 | 119.4 | 173 | -50.2 | 177.3 | 0 | 0 | 0 | 107.7 | I538 | I538-I540 HydrophobicContact CG2-CG1 4.29Š|
| 541 | G | 30.4 | Very low | 30 | Very low | 61 Ų | 61 | 132.3 Ų | 132.3 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | | | cis | 99.3 | 49.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 542 | R | 30.5 | Very low | 30.2 | Very low | 200 Ų | 200 | 133.6 Ų | 133.6 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | -166.4 | 120.6 | 151.7 | -106 | 150.4 | -84.3 | -167.8 | 1 | 107.7 | | |
| 543 | K | 30.8 | Very low | 30.3 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 70% | 0.7 | 73% | 0.732 | S | S | * | * | | | | 81.8 | 125.5 | 72.1 | -80.6 | -164.2 | -175.7 | -175.4 | 0 | 112.4 | | |
| 544 | L | 26.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | | 20.1 | 114.4 | 128.9 | -58.7 | 167.4 | 0 | 0 | 0 | 116.7 | | |
| 545 | S | 29.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | | -146.4 | 116.2 | 120.6 | -138.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 546 | T | 28.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | trans | -64.9 | 127.8 | 131.8 | 44.8 | 0 | 0 | 0 | 0 | 106 | | |
| 547 | D | 31.3 | Very low | 30.7 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -178.5 | 123.8 | 137.5 | -88.8 | -20.3 | 0 | 0 | 0 | 109.4 | | |
| 548 | N | 28.5 | Very low | 30.6 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 6.4 | 161.8 | 152.4 | -139.8 | -19.1 | 0 | 0 | 0 | 122.1 | | |
| 549 | I | 31.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | 86.6 | 90.4 | 168.8 | -48.1 | 163.2 | 0 | 0 | 0 | 116.3 | | |
| 550 | N | 28.1 | Very low | 30.9 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | 22.9 | 104.3 | 133 | -56.6 | -14.4 | 0 | 0 | 0 | 118.9 | | |
| 551 | Q | 32.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -171.1 | 115.8 | 130.2 | -105.6 | 148.5 | 109 | 0 | 0 | 114.3 | | |
| 552 | Y | 28.7 | Very low | 31.9 | Very low | 218 Ų | 218 | 141.1 Ų | 141.1 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | 52.5 | 142 | 139 | -79.7 | -93.9 | 0 | 0 | 0 | 124.3 | | |
| 553 | S | 31.9 | Very low | 32.6 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 88 | 106.4 | 152.1 | -58.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 554 | N | 28.3 | Very low | 33.4 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | | | trans | -70 | 145.7 | 166.4 | -82.3 | -25 | 0 | 0 | 0 | 112.7 | | |
| 555 | S | 34.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -148.3 | 123.7 | 154.7 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | K557 | S555-K557 PolarHBondContact O-N 3.47Š|
| 556 | N | 31.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | | | trans | -72.9 | 122.1 | -172.6 | -58.6 | -18.7 | 0 | 0 | 0 | 112 | | |
| 557 | K | 34.1 | Very low | 37 | Very low | 196 Ų | 196 | 127 Ų | 127 | 85% | 0.852 | 70% | 0.698 | S | S | * | * | | | trans | -145.5 | 79.3 | 168.6 | -72.3 | -163.9 | 176.6 | -176.2 | 0 | 112.9 | S555 | S555-K557 PolarHBondContact O-N 3.47Š|
| 558 | S | 26.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | | | trans | -103.6 | 84.1 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 559 | S | 33.8 | Very low | 39.9 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | | | trans | -150.8 | -9 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 116 | C561 | S559-C561 PolarHBondContact O-N 3.2Š|
| 560 | S | 37.7 | Very low | 41.8 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -14.6 | -168.6 | -163.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 561 | C | 43.9 | Very low | 43.5 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 57% | 0.568 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -88.5 | -7.2 | -167.4 | 55.5 | 0 | 0 | 0 | 0 | 115.5 | S559 R565 | S559-C561 PolarHBondContact O-N 3.2Å; C561-R565 WeakPolarHBondContact O-CG 3.34Å |
| 562 | I | 41.5 | Very low | 45.4 | Very low | 103 Ų | 103 | 105.6 Ų | 105.6 | 53% | 0.528 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -82.4 | -42.1 | -177.2 | -63.2 | 168.7 | 0 | 0 | 0 | 110.9 | D564 R565 I566 | I562-D564 PolarHBondContact O-N 2.84Å; I562-R565 PolarHBondContact O-N 2.87Å; I562-I566 HydrophobicContact CG2-CD1 3.72Å; I562-I566 HydrophobicContact CG2-CG1 4.23Å; I562-I566 WeakPolarHBondContact O-CG1 3.38Å; I562-I566 PolarHBondContact O-N 3.03Å |
| 563 | S | 44.7 | Very low | 47.4 | Very low | 89 Ų | 89 | 97.6 Ų | 97.6 | 62% | 0.622 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.4 | -44 | -176.1 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | R565 I566 A567 | S563-R565 VanDerWaalsContact C-N 3.32Å; S563-R565 PolarHBondContact O-N 3.32Å; S563-I566 PolarHBondContact O-N 3.06Å; S563-A567 WeakPolarHBondContact O-CB 3.47Å; S563-A567 PolarHBondContact O-N 2.86Å |
| 564 | D | 48.5 | Very low | 49.5 | Very low | 120 Ų | 120 | 99.5 Ų | 99.5 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.3 | -36.5 | 175.4 | -66.8 | -28.8 | 0 | 0 | 0 | 112.3 | I562 S568 | I562-D564 PolarHBondContact O-N 2.84Å; D564-S568 WeakPolarHBondContact O-CB 3.43Å; D564-S568 PolarHBondContact O-N 3.12Å |
| 565 | R | 49.3 | Very low | 51.8 | Low | 132 Ų | 132 | 95.4 Ų | 95.4 | 50% | 0.498 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -43.6 | 175.1 | -77.1 | -177.9 | 173.5 | -145.1 | -3.5 | 111.2 | C561 I562 S563 S568 V569 T596 | C561-R565 WeakPolarHBondContact O-CG 3.34Å; I562-R565 PolarHBondContact O-N 2.87Å; S563-R565 VanDerWaalsContact C-N 3.32Å; S563-R565 PolarHBondContact O-N 3.32Å; R565-S568 PolarHBondContact O-N 3.38Å; R565-V569 WeakPolarHBondContact O-CG2 3.39Å; R565-V569 PolarHBondContact O-N 2.92Å; R565-T596 PolarHBondContact NH1-O 2.8Å; R565-T596 VanDerWaalsContact NH1-O 3.17Å |
| 566 | I | 53.3 | Low | 54 | Low | 67 Ų | 67 | 93.9 Ų | 93.9 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 174.4 | -68.1 | 171.3 | 0 | 0 | 0 | 110.5 | I562 S563 S568 V569 V570 A605 | I562-I566 HydrophobicContact CG2-CD1 3.72Å; I562-I566 HydrophobicContact CG2-CG1 4.23Å; I562-I566 WeakPolarHBondContact O-CG1 3.38Å; I562-I566 PolarHBondContact O-N 3.03Å; S563-I566 PolarHBondContact O-N 3.06Å; I566-S568 VanDerWaalsContact C-N 3.27Å; I566-S568 PolarHBondContact O-N 3.44Å; I566-V569 PolarHBondContact O-N 2.87Å; I566-V569 VanDerWaalsContact O-N 3.16Å; I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.44Å; I566-V570 WeakPolarHBondContact O-CG2 3.4Å; I566-V570 PolarHBondContact O-N 3.45Å; I566-A605 HydrophobicContact CD1-CB 4.22Å; I566-A605 HydrophobicContact CG1-CB 4.03Å |
| 567 | A | 57.3 | Low | 56.2 | Low | 52 Ų | 52 | 95.4 Ų | 95.4 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.1 | -38.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S563 S571 | S563-A567 WeakPolarHBondContact O-CB 3.47Å; S563-A567 PolarHBondContact O-N 2.86Å; A567-S571 VanDerWaalsContact O-CB 3.28Å; A567-S571 WeakPolarHBondContact O-CB 3.43Å; A567-S571 PolarHBondContact O-N 3.27Å; A567-S571 PolarHBondContact O-OG 3.27Å |
| 568 | S | 54.3 | Low | 58.3 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 51% | 0.51 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 174.1 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | D564 R565 I566 S571 T572 | D564-S568 WeakPolarHBondContact O-CB 3.43Å; D564-S568 PolarHBondContact O-N 3.12Å; R565-S568 PolarHBondContact O-N 3.38Å; I566-S568 VanDerWaalsContact C-N 3.27Å; I566-S568 PolarHBondContact O-N 3.44Å; S568-S571 WeakPolarHBondContact O-CB 3.49Å; S568-S571 PolarHBondContact O-N 3.18Å; S568-T572 PolarHBondContact O-N 3.03Å; S568-T572 PolarHBondContact O-OG1 3.49Å |
| 569 | V | 65 | Low | 60.7 | Low | 44 Ų | 44 | 87 Ų | 87 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.3 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | R565 I566 T572 I573 | R565-V569 WeakPolarHBondContact O-CG2 3.39Å; R565-V569 PolarHBondContact O-N 2.92Å; I566-V569 PolarHBondContact O-N 2.87Å; I566-V569 VanDerWaalsContact O-N 3.16Å; V569-T572 PolarHBondContact O-N 3.45Å; V569-T572 PolarHBondContact O-OG1 3.09Å; V569-I573 HydrophobicContact CG1-CD1 3.88Å; V569-I573 VanDerWaalsContact O-CG1 3.3Å; V569-I573 WeakPolarHBondContact O-CG1 3.36Å; V569-I573 PolarHBondContact O-N 3.2Å |
| 570 | V | 72.2 | Confident | 62.6 | Low | 62 Ų | 62 | 87.2 Ų | 87.2 | 38% | 0.376 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.6 | 172 | 0 | 0 | 0 | 0 | 109.9 | I566 T572 I573 E574 | I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.44Å; I566-V570 WeakPolarHBondContact O-CG2 3.4Å; I566-V570 PolarHBondContact O-N 3.45Å; V570-T572 VanDerWaalsContact C-N 3.29Å; V570-T572 PolarHBondContact O-N 2.75Å; V570-I573 PolarHBondContact O-N 2.93Å; V570-I573 VanDerWaalsContact O-N 3.1Å; V570-E574 HydrophobicContact CG1-CG 4.24Å; V570-E574 WeakPolarHBondContact O-CB 3.34Å; V570-E574 WeakPolarHBondContact O-CG 3.27Å; V570-E574 PolarHBondContact O-N 3.36Å |
| 571 | S | 64.6 | Low | 64.3 | Low | 72 Ų | 72 | 84.7 Ų | 84.7 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 176.2 | -59.7 | 0 | 0 | 0 | 0 | 113 | A567 S568 A575 | A567-S571 VanDerWaalsContact O-CB 3.28Å; A567-S571 WeakPolarHBondContact O-CB 3.43Å; A567-S571 PolarHBondContact O-N 3.27Å; A567-S571 PolarHBondContact O-OG 3.27Å; S568-S571 WeakPolarHBondContact O-CB 3.49Å; S568-S571 PolarHBondContact O-N 3.18Å; S571-A575 VanDerWaalsContact O-CB 3.28Å; S571-A575 WeakPolarHBondContact O-CB 3.27Å; S571-A575 PolarHBondContact O-N 3.28Å; S571-A575 VanDerWaalsContact O-N 3.08Å |
| 572 | T | 71.3 | Confident | 65.7 | Low | 55 Ų | 55 | 81.7 Ų | 81.7 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.3 | -27.5 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | S568 V569 V570 Y576 | S568-T572 PolarHBondContact O-N 3.03Å; S568-T572 PolarHBondContact O-OG1 3.49Å; V569-T572 PolarHBondContact O-N 3.45Å; V569-T572 PolarHBondContact O-OG1 3.09Å; V570-T572 VanDerWaalsContact C-N 3.29Å; V570-T572 PolarHBondContact O-N 2.75Å; T572-Y576 VanDerWaalsContact O-CD2 3.27Å; T572-Y576 WeakPolarHBondContact O-CD2 3.4Å |
| 573 | I | 72.1 | Confident | 67.2 | Low | 50 Ų | 50 | 81.8 Ų | 81.8 | 26% | 0.256 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 171.4 | -67.5 | 163.9 | 0 | 0 | 0 | 110.2 | V569 V570 A575 Y576 P579 Y582 | V569-I573 HydrophobicContact CG1-CD1 3.88Å; V569-I573 VanDerWaalsContact O-CG1 3.3Å; V569-I573 WeakPolarHBondContact O-CG1 3.36Å; V569-I573 PolarHBondContact O-N 3.2Å; V570-I573 PolarHBondContact O-N 2.93Å; V570-I573 VanDerWaalsContact O-N 3.1Å; I573-A575 PolarHBondContact O-N 3.27Å; I573-Y576 PolarHBondContact O-N 2.9Å; I573-Y576 VanDerWaalsContact O-N 3.13Å; I573-P579 HydrophobicContact CG2-CB 4.11Å; I573-Y582 HydrophobicContact CD1-CE1 4.3Å; I573-Y582 HydrophobicContact CG1-CD1 3.7Å; I573-Y582 HydrophobicContact CG1-CE1 3.67Å; I573-Y582 HydrophobicContact CG1-CG 4.34Å |
| 574 | E | 76.1 | Confident | 68.4 | Low | 155 Ų | 155 | 83.3 Ų | 83.3 | 72% | 0.724 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.7 | -21.2 | 175 | -70.7 | -177.7 | 172 | 0 | 0 | 113.4 | V570 Y576 | V570-E574 HydrophobicContact CG1-CG 4.24Å; V570-E574 WeakPolarHBondContact O-CB 3.34Å; V570-E574 WeakPolarHBondContact O-CG 3.27Å; V570-E574 PolarHBondContact O-N 3.36Å; E574-Y576 VanDerWaalsContact C-N 3.3Å |
| 575 | A | 75.3 | Confident | 69.5 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | S571 I573 | S571-A575 VanDerWaalsContact O-CB 3.28Å; S571-A575 WeakPolarHBondContact O-CB 3.27Å; S571-A575 PolarHBondContact O-N 3.28Å; S571-A575 VanDerWaalsContact O-N 3.08Å; I573-A575 PolarHBondContact O-N 3.27Å |
| 576 | Y | 80.4 | Confident | 70.4 | Confident | 71 Ų | 71 | 81 Ų | 81 | 28% | 0.278 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -107.1 | 127.3 | 171.2 | -80.9 | -118.4 | 0 | 0 | 0 | 108.9 | T572 I573 E574 D578 A581 Y582 Y585 | T572-Y576 VanDerWaalsContact O-CD2 3.27Å; T572-Y576 WeakPolarHBondContact O-CD2 3.4Å; I573-Y576 PolarHBondContact O-N 2.9Å; I573-Y576 VanDerWaalsContact O-N 3.13Å; E574-Y576 VanDerWaalsContact C-N 3.3Å; Y576-D578 PolarHBondContact O-N 2.95Å; Y576-A581 HydrophobicContact CD1-CB 4.43Å; Y576-Y582 HydrophobicContact CD1-CD2 4.47Å; Y576-Y582 AromaticContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CE1-CD2 4.42Å; Y576-Y582 AromaticContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CG-CD2 4.24Å; Y576-Y585 HydrophobicContact CE1-CD2 4.17Å; Y576-Y585 HydrophobicContact CE1-CG 4.06Å; Y576-Y585 WeakPolarHBondContact OH-CD1 3.44Å; Y576-Y585 WeakPolarHBondContact OH-CD2 3.13Å; Y576-Y585 WeakPolarHBondContact OH-CE1 3.41Å; Y576-Y585 VanDerWaalsContact OH-CE2 3.27Å; Y576-Y585 WeakPolarHBondContact OH-CE2 3.28Å; Y576-Y585 VanDerWaalsContact OH-CZ 3.28Å |
| 577 | D | 79 | Confident | 70.9 | Confident | 187 Ų | 187 | 82.2 Ų | 82.2 | 100% | 1 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -59.9 | -17 | 178.6 | -68 | -58.5 | 0 | 0 | 0 | 113.6 | | |
| 578 | D | 78.1 | Confident | 71.2 | Confident | 65 Ų | 65 | 87.7 Ų | 87.7 | 35% | 0.348 | 46% | 0.46 | S | S | . | . | | | trans | -139.1 | 122 | 175.2 | 169.8 | 26.9 | 0 | 0 | 0 | 110.8 | Y576 K580 A581 Y582 | Y576-D578 PolarHBondContact O-N 2.95Å; D578-K580 PolarHBondContact O-N 3.33Å; D578-K580 WeakPolarHBondContact OD1-CB 3.34Å; D578-K580 PolarHBondContact OD1-N 3.12Å; D578-K580 WeakPolarHBondContact OD2-CB 3.47Å; D578-A581 HydrophobicContact CB-CB 3.97Å; D578-A581 WeakPolarHBondContact O-CB 3.1Å; D578-A581 PolarHBondContact O-N 2.95Å; D578-A581 VanDerWaalsContact O-N 3.1Å; D578-A581 PolarHBondContact OD2-N 3.08Å; D578-Y582 PolarHBondContact O-N 3.38Å; D578-Y582 VanDerWaalsContact O-N 3.17Å |
| 579 | P | 75.3 | Confident | 71.3 | Confident | 74 Ų | 74 | 88.9 Ų | 88.9 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -22.3 | 175.8 | 28.1 | -35.5 | 0 | 0 | 0 | 113.1 | I573 Y582 L583 | I573-P579 HydrophobicContact CG2-CB 4.11Å; P579-Y582 PolarHBondContact O-N 2.89Å; P579-L583 PolarHBondContact O-N 2.99Å |
| 580 | K | 74 | Confident | 70 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 169.7 | -65.6 | 176.5 | 171.1 | 176.7 | 0 | 110.4 | Y212 D578 Y582 L583 F584 | Y212-K580 HydrophobicContact CE1-CD 4.03Å; Y212-K580 VanDerWaalsContact CE1-CE 3.44Å; D578-K580 PolarHBondContact O-N 3.33Å; D578-K580 WeakPolarHBondContact OD1-CB 3.34Å; D578-K580 PolarHBondContact OD1-N 3.12Å; D578-K580 WeakPolarHBondContact OD2-CB 3.47Å; K580-Y582 VanDerWaalsContact C-N 3.28Å; K580-Y582 PolarHBondContact O-N 3.16Å; K580-L583 PolarHBondContact O-N 3.3Å; K580-L583 VanDerWaalsContact O-N 3.12Å; K580-F584 WeakPolarHBondContact O-CD2 3.5Å; K580-F584 PolarHBondContact O-N 3.38Å |
| 581 | A | 73.3 | Confident | 68.5 | Low | 44 Ų | 44 | 92.5 Ų | 92.5 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y576 D578 Y585 | Y576-A581 HydrophobicContact CD1-CB 4.43Å; D578-A581 HydrophobicContact CB-CB 3.97Å; D578-A581 WeakPolarHBondContact O-CB 3.1Å; D578-A581 PolarHBondContact O-N 2.95Å; D578-A581 VanDerWaalsContact O-N 3.1Å; D578-A581 PolarHBondContact OD2-N 3.08Å; A581-Y585 WeakPolarHBondContact O-CB 3.05Å; A581-Y585 PolarHBondContact O-N 3.05Å |
| 582 | Y | 74.3 | Confident | 67.1 | Low | 22 Ų | 22 | 95 Ų | 95 | 9% | 0.086 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 170.8 | 179.4 | -104.4 | 0 | 0 | 0 | 112.5 | I573 Y576 D578 P579 K580 Y585 R586 | I573-Y582 HydrophobicContact CD1-CE1 4.3Å; I573-Y582 HydrophobicContact CG1-CD1 3.7Å; I573-Y582 HydrophobicContact CG1-CE1 3.67Å; I573-Y582 HydrophobicContact CG1-CG 4.34Å; Y576-Y582 HydrophobicContact CD1-CD2 4.47Å; Y576-Y582 AromaticContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CE1-CD2 4.42Å; Y576-Y582 AromaticContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CG-CD2 4.24Å; D578-Y582 PolarHBondContact O-N 3.38Å; D578-Y582 VanDerWaalsContact O-N 3.17Å; P579-Y582 PolarHBondContact O-N 2.89Å; K580-Y582 VanDerWaalsContact C-N 3.28Å; K580-Y582 PolarHBondContact O-N 3.16Å; Y582-Y585 PolarHBondContact O-N 2.95Å; Y582-R586 HydrophobicContact CD1-CG 4.4Å; Y582-R586 HydrophobicContact CD2-CG 4.35Å; Y582-R586 HydrophobicContact CE1-CG 4.02Å; Y582-R586 HydrophobicContact CE2-CG 3.94Å; Y582-R586 WeakPolarHBondContact O-CG 3.36Å; Y582-R586 PolarHBondContact O-N 2.77Å; Y582-R586 PolarHBondContact OH-NH1 3.3Å |
| 583 | L | 72 | Confident | 65.3 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.2 | -103.1 | 82.2 | 0 | 0 | 0 | 112.1 | P579 K580 Y585 R586 M587 | P579-L583 PolarHBondContact O-N 2.99Å; K580-L583 PolarHBondContact O-N 3.3Å; K580-L583 VanDerWaalsContact O-N 3.12Å; L583-Y585 VanDerWaalsContact C-N 3.34Å; L583-Y585 PolarHBondContact O-N 3.05Å; L583-R586 CarbonylContact O-C 3.59Å; L583-R586 PolarHBondContact O-N 3.19Å; L583-R586 VanDerWaalsContact O-N 3.17Å; L583-M587 WeakPolarHBondContact O-CB 3.18Å; L583-M587 VanDerWaalsContact O-CG 3.32Å; L583-M587 WeakPolarHBondContact O-CG 3.3Å; L583-M587 PolarHBondContact O-N 3.47Å |
| 584 | F | 71.5 | Confident | 63.4 | Low | 121 Ų | 121 | 104.1 Ų | 104.1 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.4 | -90.8 | -84.9 | 0 | 0 | 0 | 111.5 | K580 R586 M587 F588 | K580-F584 WeakPolarHBondContact O-CD2 3.5Å; K580-F584 PolarHBondContact O-N 3.38Å; F584-R586 VanDerWaalsContact C-N 3.34Å; F584-R586 PolarHBondContact O-N 2.99Å; F584-M587 HydrophobicContact CD1-CE 4.03Å; F584-M587 HydrophobicContact CD2-CE 4.19Å; F584-M587 HydrophobicContact CE1-CE 4.26Å; F584-M587 HydrophobicContact CE2-CE 4.41Å; F584-M587 HydrophobicContact CG-CE 3.99Å; F584-M587 HydrophobicContact CZ-CE 4.44Å; F584-M587 PolarHBondContact O-N 3Å; F584-M587 VanDerWaalsContact O-N 3.17Å; F584-F588 AromaticContact CD1-CD2 3.99Å; F584-F588 HydrophobicContact CD1-CD2 3.99Å; F584-F588 AromaticContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CE1-CE2 4.06Å; F584-F588 WeakPolarHBondContact O-CD2 3.35Å; F584-F588 PolarHBondContact O-N 3.48Å |
| 585 | Y | 70.5 | Confident | 61.3 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 173.5 | -178.5 | -84.2 | 0 | 0 | 0 | 111.8 | Y576 A581 Y582 L583 Q589 | Y576-Y585 HydrophobicContact CE1-CD2 4.17Å; Y576-Y585 HydrophobicContact CE1-CG 4.06Å; Y576-Y585 WeakPolarHBondContact OH-CD1 3.44Å; Y576-Y585 WeakPolarHBondContact OH-CD2 3.13Å; Y576-Y585 WeakPolarHBondContact OH-CE1 3.41Å; Y576-Y585 VanDerWaalsContact OH-CE2 3.27Å; Y576-Y585 WeakPolarHBondContact OH-CE2 3.28Å; Y576-Y585 VanDerWaalsContact OH-CZ 3.28Å; A581-Y585 WeakPolarHBondContact O-CB 3.05Å; A581-Y585 PolarHBondContact O-N 3.05Å; Y582-Y585 PolarHBondContact O-N 2.95Å; L583-Y585 VanDerWaalsContact C-N 3.34Å; L583-Y585 PolarHBondContact O-N 3.05Å; Y585-Q589 HydrophobicContact CE1-CG 4.41Å; Y585-Q589 VanDerWaalsContact CE2-NE2 3.3Å; Y585-Q589 WeakPolarHBondContact O-CB 3.41Å; Y585-Q589 PolarHBondContact O-N 3.24Å; Y585-Q589 PolarHBondContact OH-NE2 3.43Å; Y585-Q589 PolarHBondContact OH-OE1 2.98Å; Y585-Q589 VanDerWaalsContact OH-OE1 3.05Å |
| 586 | R | 68.3 | Low | 59.4 | Low | 104 Ų | 104 | 107 Ų | 107 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.5 | -16.7 | 176.8 | -65 | -61.3 | -62.3 | -105.9 | 8.4 | 114.6 | Y582 L583 F584 | Y582-R586 HydrophobicContact CD1-CG 4.4Å; Y582-R586 HydrophobicContact CD2-CG 4.35Å; Y582-R586 HydrophobicContact CE1-CG 4.02Å; Y582-R586 HydrophobicContact CE2-CG 3.94Å; Y582-R586 WeakPolarHBondContact O-CG 3.36Å; Y582-R586 PolarHBondContact O-N 2.77Å; Y582-R586 PolarHBondContact OH-NH1 3.3Å; L583-R586 CarbonylContact O-C 3.59Å; L583-R586 PolarHBondContact O-N 3.19Å; L583-R586 VanDerWaalsContact O-N 3.17Å; F584-R586 VanDerWaalsContact C-N 3.34Å; F584-R586 PolarHBondContact O-N 2.99Å |
| 587 | M | 63.5 | Low | 57.1 | Low | 91 Ų | 91 | 105.8 Ų | 105.8 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -85.7 | -32.2 | 173.1 | -75.1 | -171.7 | -63.2 | 0 | 0 | 112.8 | L583 F584 | L583-M587 WeakPolarHBondContact O-CB 3.18Å; L583-M587 VanDerWaalsContact O-CG 3.32Å; L583-M587 WeakPolarHBondContact O-CG 3.3Å; L583-M587 PolarHBondContact O-N 3.47Å; F584-M587 HydrophobicContact CD1-CE 4.03Å; F584-M587 HydrophobicContact CD2-CE 4.19Å; F584-M587 HydrophobicContact CE1-CE 4.26Å; F584-M587 HydrophobicContact CE2-CE 4.41Å; F584-M587 HydrophobicContact CG-CE 3.99Å; F584-M587 HydrophobicContact CZ-CE 4.44Å; F584-M587 PolarHBondContact O-N 3Å; F584-M587 VanDerWaalsContact O-N 3.17Å |
| 588 | F | 64 | Low | 55 | Low | 167 Ų | 167 | 101.3 Ų | 101.3 | 73% | 0.732 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -104.5 | -10.4 | -175.4 | -77.5 | -86.2 | 0 | 0 | 0 | 114.9 | F584 | F584-F588 AromaticContact CD1-CD2 3.99Å; F584-F588 HydrophobicContact CD1-CD2 3.99Å; F584-F588 AromaticContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CE1-CE2 4.06Å; F584-F588 WeakPolarHBondContact O-CD2 3.35Å; F584-F588 PolarHBondContact O-N 3.48Å |
| 589 | Q | 57.2 | Low | 53.2 | Low | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -87 | 124.7 | 160.5 | -70.7 | -165.5 | -16.2 | 0 | 0 | 110.3 | Y585 | Y585-Q589 HydrophobicContact CE1-CG 4.41Å; Y585-Q589 VanDerWaalsContact CE2-NE2 3.3Å; Y585-Q589 WeakPolarHBondContact O-CB 3.41Å; Y585-Q589 PolarHBondContact O-N 3.24Å; Y585-Q589 PolarHBondContact OH-NE2 3.43Å; Y585-Q589 PolarHBondContact OH-OE1 2.98Å; Y585-Q589 VanDerWaalsContact OH-OE1 3.05Å |
| 590 | G | 37.6 | Very low | 51.5 | Low | 70 Ų | 70 | 103.8 Ų | 103.8 | 72% | 0.722 | 54% | 0.538 | S | S | * | . | | | trans | -60.5 | 147.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | E592 | G590-E592 VanDerWaalsContact C-N 3.34Å; G590-E592 PolarHBondContact O-N 2.95Å |
| 591 | V | 40.8 | Very low | 49.6 | Very low | 113 Ų | 113 | 101.2 Ų | 101.2 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | | | trans | -83.5 | 79.7 | -176.3 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 592 | E | 33.9 | Very low | 48 | Very low | 125 Ų | 125 | 101.5 Ų | 101.5 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | | | trans | -103.7 | 146.6 | 158.6 | -66.6 | -171.1 | 163 | 0 | 0 | 109.3 | G590 | G590-E592 VanDerWaalsContact C-N 3.34Å; G590-E592 PolarHBondContact O-N 2.95Å |
| 593 | E | 33.4 | Very low | 46.3 | Very low | 189 Ų | 189 | 105.2 Ų | 105.2 | 88% | 0.883 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 61.3 | 51.9 | 179.6 | -57.5 | -162.8 | 154.7 | 0 | 0 | 118.6 | | |
| 594 | I | 32.9 | Very low | 45 | Very low | 106 Ų | 106 | 107 Ų | 107 | 54% | 0.544 | 56% | 0.557 | S | S | . | * | | | | -153.3 | 98.7 | 124.4 | -53.9 | -170.5 | 0 | 0 | 0 | 109.9 | T597 | I594-T597 HydrophobicContact CG2-CG2 4.05Å; I594-T597 PolarHBondContact O-OG1 3.37Å |
| 595 | E | 32.2 | Very low | 43.1 | Very low | 183 Ų | 183 | 103.4 Ų | 103.4 | 86% | 0.855 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 145.4 | 158.5 | -69.2 | -179.4 | 116.6 | 0 | 0 | 109.7 | | |
| 596 | T | 34.7 | Very low | 41.5 | Very low | 112 Ų | 112 | 106 Ų | 106 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.6 | 15.8 | -168.9 | 80.8 | 0 | 0 | 0 | 0 | 117.5 | R565 | R565-T596 PolarHBondContact NH1-O 2.8Å; R565-T596 VanDerWaalsContact NH1-O 3.17Å |
| 597 | T | 31.9 | Very low | 40 | Very low | 46 Ų | 46 | 104.7 Ų | 104.7 | 28% | 0.282 | 57% | 0.57 | S | S | . | * | | | trans | -122.4 | 87.6 | 156.3 | 54.1 | 0 | 0 | 0 | 0 | 111 | I594 | I594-T597 HydrophobicContact CG2-CG2 4.05Å; I594-T597 PolarHBondContact O-OG1 3.37Å |
| 598 | T | 36.1 | Very low | 38.8 | Very low | 93 Ų | 93 | 106.1 Ų | 106.1 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | | | trans | -63.1 | 155 | 159.2 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | D600 G601 | T598-D600 WeakPolarHBondContact CB-OD2 3.27Å; T598-D600 PolarHBondContact O-N 3.38Å; T598-D600 VanDerWaalsContact O-N 3.15Å; T598-D600 PolarHBondContact OG1-OD2 3Å; T598-G601 PolarHBondContact O-N 3.23Å; T598-G601 VanDerWaalsContact O-N 3.12Å |
| 599 | T | 39 | Very low | 37.2 | Very low | 101 Ų | 101 | 108.7 Ų | 108.7 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -33.3 | 179.3 | 1.3 | 0 | 0 | 0 | 0 | 112.5 | G601 I602 F603 | T599-G601 VanDerWaalsContact C-N 3.27Å; T599-G601 PolarHBondContact O-N 3.4Å; T599-I602 PolarHBondContact O-N 2.83Å; T599-F603 WeakPolarHBondContact O-CD2 3.17Å |
| 600 | D | 40.8 | Very low | 35.9 | Very low | 89 Ų | 89 | 108 Ų | 108 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.8 | -36.1 | -178.7 | -31 | -63.6 | 0 | 0 | 0 | 111.9 | T598 I602 F603 Q604 | T598-D600 WeakPolarHBondContact CB-OD2 3.27Å; T598-D600 PolarHBondContact O-N 3.38Å; T598-D600 VanDerWaalsContact O-N 3.15Å; T598-D600 PolarHBondContact OG1-OD2 3Å; D600-I602 PolarHBondContact O-N 3.12Å; D600-I602 VanDerWaalsContact O-N 3.14Å; D600-F603 PolarHBondContact O-N 3.01Å; D600-F603 VanDerWaalsContact O-N 3.11Å; D600-Q604 WeakPolarHBondContact O-CB 3.39Å; D600-Q604 WeakPolarHBondContact O-CG 3.47Å; D600-Q604 PolarHBondContact O-N 2.9Å |
| 601 | G | 34.4 | Very low | 35.4 | Very low | 47 Ų | 47 | 110.7 Ų | 110.7 | 49% | 0.485 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.7 | -10.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T598 T599 | T598-G601 PolarHBondContact O-N 3.23Å; T598-G601 VanDerWaalsContact O-N 3.12Å; T599-G601 VanDerWaalsContact C-N 3.27Å; T599-G601 PolarHBondContact O-N 3.4Å |
| 602 | I | 39.1 | Very low | 35 | Very low | 50 Ų | 50 | 109.7 Ų | 109.7 | 26% | 0.256 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -95.9 | -31.5 | 172.8 | -60.9 | 178 | 0 | 0 | 0 | 110.8 | T599 D600 | T599-I602 PolarHBondContact O-N 2.83Å; D600-I602 PolarHBondContact O-N 3.12Å; D600-I602 VanDerWaalsContact O-N 3.14Å |
| 603 | F | 39.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 110.9 Ų | 110.9 | 44% | 0.439 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -85.5 | -29.4 | 178.2 | -71.7 | -75.6 | 0 | 0 | 0 | 113.5 | T599 D600 A605 F606 S607 | T599-F603 WeakPolarHBondContact O-CD2 3.17Å; D600-F603 PolarHBondContact O-N 3.01Å; D600-F603 VanDerWaalsContact O-N 3.11Å; F603-A605 PolarHBondContact O-N 3.13Å; F603-A605 VanDerWaalsContact O-N 3.12Å; F603-F606 PolarHBondContact O-N 3.13Å; F603-S607 PolarHBondContact O-N 3Å |
| 604 | Q | 42.7 | Very low | 34.4 | Very low | 142 Ų | 142 | 111.6 Ų | 111.6 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -20.1 | 169.9 | -77.6 | -178.3 | -8 | 0 | 0 | 113.2 | D600 F606 | D600-Q604 WeakPolarHBondContact O-CB 3.39Å; D600-Q604 WeakPolarHBondContact O-CG 3.47Å; D600-Q604 PolarHBondContact O-N 2.9Å; Q604-F606 PolarHBondContact O-N 3.44Å |
| 605 | A | 32.8 | Very low | 34.2 | Very low | 46 Ų | 46 | 115 Ų | 115 | 38% | 0.38 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -8.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | I566 F603 | I566-A605 HydrophobicContact CD1-CB 4.22Å; I566-A605 HydrophobicContact CG1-CB 4.03Å; F603-A605 PolarHBondContact O-N 3.13Å; F603-A605 VanDerWaalsContact O-N 3.12Å |
| 606 | F | 36.9 | Very low | 34.1 | Very low | 155 Ų | 155 | 114.8 Ų | 114.8 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -3.4 | 178.2 | -70.8 | -79.5 | 0 | 0 | 0 | 113.7 | F603 Q604 | F603-F606 PolarHBondContact O-N 3.13Å; Q604-F606 PolarHBondContact O-N 3.44Å |
| 607 | S | 37.6 | Very low | 33.7 | Very low | 75 Ų | 75 | 117.1 Ų | 117.1 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -69.7 | 126.7 | 168.6 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | F603 | F603-S607 PolarHBondContact O-N 3Š|
| 608 | P | 36.5 | Very low | 33.5 | Very low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 148.6 | 161.6 | 28 | -33.1 | 0 | 0 | 0 | 109.3 | S610 | P608-S610 PolarHBondContact O-N 3.23Š|
| 609 | Y | 31.9 | Very low | 33.1 | Very low | 222 Ų | 222 | 126.3 Ų | 126.3 | 87% | 0.871 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -65.3 | 126.9 | -170.4 | -84.4 | -97.3 | 0 | 0 | 0 | 112.6 | | |
| 610 | S | 30.1 | Very low | 32.7 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 58% | 0.58 | 67% | 0.672 | S | S | * | * | | | trans | 53.3 | 107.3 | 153.5 | 55 | 0 | 0 | 0 | 0 | 118.3 | P608 V612 | P608-S610 PolarHBondContact O-N 3.23Å; S610-V612 PolarHBondContact O-N 3.08Å |
| 611 | S | 26.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | | | | -72.1 | 107.2 | 120.1 | -172.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 612 | V | 31.1 | Very low | 31.8 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | | | trans | -107.5 | 133.3 | 160.7 | 153.2 | 0 | 0 | 0 | 0 | 105 | S610 F614 | S610-V612 PolarHBondContact O-N 3.08Å; V612-F614 WeakPolarHBondContact O-CD2 3.45Å; V612-F614 PolarHBondContact O-N 3.26Å |
| 613 | D | 28.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | | | trans | -58.5 | 95.7 | -176.4 | -69.9 | -61.9 | 0 | 0 | 0 | 112.6 | Q615 | D613-Q615 PolarHBondContact O-N 3.06Š|
| 614 | F | 28.7 | Very low | 31 | Very low | 204 Ų | 204 | 144 Ų | 144 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | | | trans | -78.9 | 39.6 | 169.7 | -87.7 | -78.5 | 0 | 0 | 0 | 112.2 | V612 | V612-F614 WeakPolarHBondContact O-CD2 3.45Å; V612-F614 PolarHBondContact O-N 3.26Å |
| 615 | Q | 28 | Very low | 30.6 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -98.9 | 84 | 172.7 | -167 | -175.7 | 84.3 | 0 | 0 | 110.6 | D613 | D613-Q615 PolarHBondContact O-N 3.06Š|
| 616 | K | 29.2 | Very low | 30.4 | Very low | 180 Ų | 180 | 149 Ų | 149 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -160 | 135.6 | 161.4 | -117 | 165.4 | -171.8 | 165.8 | 0 | 115.7 | | |
| 617 | Q | 27.4 | Very low | 30.2 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | 69.7 | 72.7 | 148.9 | -73.7 | 167.4 | -10.1 | 0 | 0 | 119.3 | | |
| 618 | F | 28.2 | Very low | 29.8 | Very low | 210 Ų | 210 | 154.8 Ų | 154.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | -129.6 | 116.8 | 120 | -83.7 | -75.6 | 0 | 0 | 0 | 110 | | |
| 619 | S | 27.2 | Very low | 29.4 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -169 | 116.1 | 170.2 | -71 | 0 | 0 | 0 | 0 | 110.1 | | |
| 620 | P | 30 | Very low | 29.2 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | trans | -112.3 | 137.5 | 158.4 | 34.6 | -24.8 | 0 | 0 | 0 | 111.9 | | |
| 621 | E | 30.4 | Very low | 29 | Very low | 173 Ų | 173 | 158.7 Ų | 158.7 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | 47.8 | 99.6 | 140.8 | -64.6 | 160.1 | 150.6 | 0 | 0 | 118.4 | | |
| 622 | F | 26.9 | Very low | 29.1 | Very low | 173 Ų | 173 | 160.4 Ų | 160.4 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | | 63.2 | 110.3 | 85.2 | -86.9 | -79.6 | 0 | 0 | 0 | 115.5 | | |
| 623 | N | 32.4 | Very low | 29 | Very low | 171 Ų | 171 | 162.4 Ų | 162.4 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | | | trans | -151.4 | 124.3 | 133.5 | -102.5 | -37.5 | 0 | 0 | 0 | 109 | | |
| 624 | D | 28.8 | Very low | 29.1 | Very low | 136 Ų | 136 | 162.7 Ų | 162.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -91.2 | 124.3 | 178.7 | -65.2 | -65.8 | 0 | 0 | 0 | 111 | | |
| 625 | T | 33.7 | Very low | 29 | Very low | 141 Ų | 141 | 158 Ų | 158 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | | | trans | -140.4 | 132.9 | 157.6 | 43 | 0 | 0 | 0 | 0 | 110.3 | | |
| 626 | N | 28.3 | Very low | 29.1 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -82.8 | 152.4 | -179.8 | -54.1 | -84 | 0 | 0 | 0 | 111.7 | | |
| 627 | E | 34.4 | Very low | 29 | Very low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | 172.8 | 106.1 | 130.7 | -94.6 | 162.4 | -147.3 | 0 | 0 | 107.3 | | |
| 628 | Q | 27.7 | Very low | 29.2 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | | 61.8 | 110.7 | 84 | -72.4 | -158.7 | 14.7 | 0 | 0 | 115.8 | | |
| 629 | L | 28.4 | Very low | 29.1 | Very low | 144 Ų | 144 | 152 Ų | 152 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | 46.7 | 107.8 | 135.6 | -56 | 170.5 | 0 | 0 | 0 | 118.5 | | |
| 630 | N | 28.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 155.7 Ų | 155.7 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | | -168.2 | 166.9 | 99.3 | -118.3 | -45.2 | 0 | 0 | 0 | 115.7 | | |
| 631 | Y | 25.1 | Very low | 29.5 | Very low | 214 Ų | 214 | 156 Ų | 156 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -67.2 | 137.7 | 160.6 | -55.9 | -105.6 | 0 | 0 | 0 | 110.5 | | |
| 632 | H | 28.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 155.7 Ų | 155.7 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | | | | -160.7 | 140 | 118.1 | -147 | 47.9 | 0 | 0 | 0 | 112.4 | H634 | H632-H634 AromaticContact CD2-ND1 3.53Å; H632-H634 AromaticContact NE2-CE1 3.84Å; H632-H634 AromaticContact NE2-ND1 3.48Å; H632-H634 PolarHBondContact NE2-ND1 2.82Å |
| 633 | L | 30 | Very low | 29.9 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 71% | 0.707 | 79% | 0.788 | S | S | * | * | | | trans | -66.9 | 141.8 | 159.6 | -168.6 | 79.4 | 0 | 0 | 0 | 108.4 | | |
| 634 | H | 30.5 | Very low | 29.6 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -177.2 | 131.9 | 141.8 | -104.8 | 84.4 | 0 | 0 | 0 | 111 | H632 | H632-H634 AromaticContact CD2-ND1 3.53Å; H632-H634 AromaticContact NE2-CE1 3.84Å; H632-H634 AromaticContact NE2-ND1 3.48Å; H632-H634 PolarHBondContact NE2-ND1 2.82Å |
| 635 | S | 27 | Very low | 29.7 | Very low | 105 Ų | 105 | 155.8 Ų | 155.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -77.7 | 137.1 | 166.3 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 636 | Y | 28.9 | Very low | 29.5 | Very low | 225 Ų | 225 | 156.8 Ų | 156.8 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -164.9 | 133.2 | 140 | -100.9 | -67.7 | 0 | 0 | 0 | 109.4 | | |
| 637 | G | 27.2 | Very low | 29.4 | Very low | 67 Ų | 67 | 156.3 Ų | 156.3 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -86.7 | 157 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 638 | I | 31.5 | Very low | 29.2 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -138.3 | 132.2 | 166.8 | -55.9 | -179.9 | 0 | 0 | 0 | 107.4 | | |
| 639 | D | 26 | Very low | 29.2 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -79.4 | 132 | -175.7 | -54.2 | -88.2 | 0 | 0 | 0 | 113.5 | | |
| 640 | E | 35.1 | Very low | 29.3 | Very low | 199 Ų | 199 | 152 Ų | 152 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -124.2 | 72.2 | 155.7 | -73.5 | -152.2 | 150.3 | 0 | 0 | 111.8 | | |
| 641 | T | 30.1 | Very low | 29.3 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 3.9 | 123.6 | 148.3 | -51.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 642 | F | 26.9 | Very low | 29.5 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | 8.1 | 138.7 | 150.7 | -71.2 | -89.9 | 0 | 0 | 0 | 119.6 | K644 | F642-K644 HydrophobicContact CD1-CG 3.95Å; F642-K644 HydrophobicContact CE1-CG 4.34Å |
| 643 | P | 38.7 | Very low | 29.5 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | -120.8 | 124.2 | 110.5 | 33.4 | -31.7 | 0 | 0 | 0 | 113.6 | F645 | P643-F645 HydrophobicContact CB-CD2 4.26Å; P643-F645 HydrophobicContact CB-CE2 4.26Å |
| 644 | K | 27.5 | Very low | 29.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | trans | -67.4 | 129.8 | 158.8 | -63 | 172.5 | 180 | 173.4 | 0 | 108.3 | F642 | F642-K644 HydrophobicContact CD1-CG 3.95Å; F642-K644 HydrophobicContact CE1-CG 4.34Å |
| 645 | F | 30.6 | Very low | 29.5 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | trans | -135.1 | 122.9 | 153.5 | -87.2 | -71 | 0 | 0 | 0 | 111.8 | P643 | P643-F645 HydrophobicContact CB-CD2 4.26Å; P643-F645 HydrophobicContact CB-CE2 4.26Å |
| 646 | Q | 29.1 | Very low | 29.6 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -77.8 | 138 | 178.5 | -65.6 | 163.5 | -79.2 | 0 | 0 | 110 | N648 | Q646-N648 PolarHBondContact O-N 2.87Š|
| 647 | T | 25.9 | Very low | 29.6 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -61.8 | 111.6 | 151.4 | 46.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 648 | N | 30.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | -148.1 | 81.1 | 164.9 | -106.7 | -29.1 | 0 | 0 | 0 | 110 | Q646 N650 | Q646-N648 PolarHBondContact O-N 2.87Å; N648-N650 PolarHBondContact O-N 3.48Å |
| 649 | S | 27.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -71.4 | 109 | 169.5 | 52 | 0 | 0 | 0 | 0 | 109.9 | | |
| 650 | N | 30.4 | Very low | 29.8 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -142.5 | 100.3 | 161.7 | -149.5 | -18.9 | 0 | 0 | 0 | 111.9 | N648 Q652 | N648-N650 PolarHBondContact O-N 3.48Å; N650-Q652 PolarHBondContact O-N 3.36Å |
| 651 | V | 28.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | trans | -85.6 | 105.6 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 652 | Q | 28.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | | | trans | -164.4 | 133.7 | 162.1 | -122.8 | -178.4 | 79.2 | 0 | 0 | 114.7 | N650 | N650-Q652 PolarHBondContact O-N 3.36Š|
| 653 | N | 29.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 56% | 0.561 | 76% | 0.756 | S | S | * | * | | | trans | 65.3 | 150.7 | 161.5 | -58 | -66 | 0 | 0 | 0 | 116.7 | | |
| 654 | K | 29.4 | Very low | 29 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | | | cis | -169.3 | 147.5 | -18.2 | -116.5 | 168.1 | -174.5 | 140.2 | 0 | 107.9 | | |
| 655 | Y | 31 | Very low | 29.2 | Very low | 204 Ų | 204 | 140.7 Ų | 140.7 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | trans | 62.2 | 141.4 | 171.7 | -58.2 | -66.6 | 0 | 0 | 0 | 114.8 | | |
| 656 | S | 28.5 | Very low | 29.2 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | cis | 64.6 | 63.7 | 15.1 | -170.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 657 | G | 30 | Very low | 29.3 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | trans | 173.6 | 119.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 658 | M | 29 | Very low | 30 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | 65.1 | 162.6 | 162.3 | -64.4 | -179.9 | 63 | 0 | 0 | 117.5 | | |
| 659 | L | 28.7 | Very low | 29.8 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 71% | 0.707 | 74% | 0.743 | S | S | * | * | | | cis | 179.1 | 143.3 | -46.4 | -117.7 | 169.3 | 0 | 0 | 0 | 106 | | |
| 660 | L | 29.7 | Very low | 30 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | 69.6 | 122.7 | 173 | -51.9 | 163 | 0 | 0 | 0 | 113.9 | | |
| 661 | S | 26.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | cis | 90 | 151.3 | 27.5 | -53.8 | 0 | 0 | 0 | 0 | 115 | | |
| 662 | V | 29.9 | Very low | 30.3 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | trans | 84.8 | 106 | 169.1 | 178.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 663 | D | 28.1 | Very low | 30.9 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | | | | 44.1 | 152.8 | 110.8 | -31.8 | -23.6 | 0 | 0 | 0 | 118.3 | | |
| 664 | D | 30.8 | Very low | 31 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | cis | -165.8 | -166.4 | -12.6 | -110.4 | -29.1 | 0 | 0 | 0 | 105.7 | | |
| 665 | E | 31 | Very low | 31.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 67.2 | 162.8 | 159.2 | -56.6 | -51.3 | -178.4 | 0 | 0 | 119.1 | | |
| 666 | E | 30.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | cis | -157 | 121 | -28.4 | 172.2 | 177.2 | -149.7 | 0 | 0 | 110.3 | | |
| 667 | T | 31.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | trans | 47.2 | -139.7 | 158.1 | 68.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 668 | P | 39.9 | Very low | 32 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 72% | 0.716 | S | S | * | * | | | | -134.4 | 178.9 | -103.2 | 37.8 | -18.1 | 0 | 0 | 0 | 118.7 | | |
| 669 | Y | 26.8 | Very low | 32.2 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | | | trans | 82.1 | 150.4 | 147.4 | -94.9 | -66.1 | 0 | 0 | 0 | 122.2 | | |
| 670 | Q | 30.6 | Very low | 32.5 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | | | trans | 91.4 | 112.4 | 146.1 | -79.8 | 160.9 | 6.2 | 0 | 0 | 122.3 | | |
| 671 | D | 30.3 | Very low | 32.6 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | | | trans | 75 | 111.6 | 132.7 | -55.2 | -12 | 0 | 0 | 0 | 120 | | |
| 672 | L | 36.1 | Very low | 32.8 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | | | | 63.8 | 147.9 | 72.6 | -69.7 | 171.4 | 0 | 0 | 0 | 113.7 | | |
| 673 | P | 41.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | | | cis | -113.4 | -154 | 11.6 | 33 | -11.4 | 0 | 0 | 0 | 111 | | |
| 674 | S | 31.4 | Very low | 32.7 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | cis | -163.9 | 158.3 | 13.9 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 675 | H | 35.3 | Very low | 32.5 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | | | trans | 34.6 | 140.2 | 132.6 | -56.7 | -44.1 | 0 | 0 | 0 | 122.1 | | |
| 676 | H | 34 | Very low | 32.3 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 73% | 0.731 | 69% | 0.687 | S | S | * | * | | | cis | -158.3 | 153.8 | -1.1 | -126 | -58 | 0 | 0 | 0 | 112.7 | D678 | H676-D678 IonicContact CE1-OD1 3.8Å; H676-D678 IonicContact CE1-OD2 3.48Å; H676-D678 PolarHBondContact CE1-OD2 2.73Å |
| 677 | S | 37.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 123 Ų | 123 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | | | trans | 94.6 | 93.6 | 139.4 | -70.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 678 | D | 32.9 | Very low | 32 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 58% | 0.583 | 69% | 0.692 | S | S | * | * | | | | 83.5 | 107 | 104.6 | -56.7 | -19.8 | 0 | 0 | 0 | 118.7 | H676 | H676-D678 IonicContact CE1-OD1 3.8Å; H676-D678 IonicContact CE1-OD2 3.48Å; H676-D678 PolarHBondContact CE1-OD2 2.73Å |
| 679 | L | 34.1 | Very low | 31.4 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | | | | 87 | 141.2 | 100.7 | -94.7 | 81.2 | 0 | 0 | 0 | 112 | | |
| 680 | T | 34 | Very low | 31.5 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | | | cis | -158.2 | 177 | 1.8 | 1.4 | 0 | 0 | 0 | 0 | 107.1 | I682 | T680-I682 HydrophobicContact CG2-CD1 4.2Š|
| 681 | T | 31.7 | Very low | 31.3 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | | | cis | -152.5 | 129.7 | 17 | -128.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 682 | I | 31 | Very low | 31 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | | | | 65.1 | 121.3 | 95.2 | -71.4 | 174.2 | 0 | 0 | 0 | 111.7 | T680 | T680-I682 HydrophobicContact CG2-CD1 4.2Š|
| 683 | S | 27.3 | Very low | 30.4 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | | | cis | -169.1 | 157.8 | 8.8 | -124.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 684 | T | 28.2 | Very low | 30 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | | | | 12.6 | 145.2 | 124.3 | 70.2 | 0 | 0 | 0 | 0 | 119 | | |
| 685 | S | 27.7 | Very low | 29.8 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | | | cis | 174.1 | -156.1 | 0.6 | 51.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 686 | N | 27.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | | | trans | 80.8 | 81.8 | 150.7 | -62.3 | -12.7 | 0 | 0 | 0 | 119.7 | | |
| 687 | S | 25.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | | | | 71.8 | -171.6 | 119.4 | 80.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 688 | R | 28.8 | Very low | 28.6 | Very low | 220 Ų | 220 | 128.6 Ų | 128.6 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | | | trans | 70.2 | 100.1 | 164.1 | -87.9 | -172.3 | 176.7 | -164.6 | -0.3 | 119.1 | | |
| 689 | T | 27.6 | Very low | 28.2 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | | | | 60 | 134.1 | 119.4 | 56.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 690 | L | 28.2 | Very low | 27.9 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | | | trans | 83.1 | 143 | 139.7 | -107.8 | 72.2 | 0 | 0 | 0 | 119.5 | | |
| 691 | A | 26.4 | Very low | 27.5 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 60% | 0.595 | 71% | 0.712 | S | S | * | * | | | trans | 61.6 | 109.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 692 | T | 24.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | | | | 34.1 | 89.6 | 75.4 | 70.6 | 0 | 0 | 0 | 0 | 114 | | |
| 693 | K | 24.6 | Very low | 27.3 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | | | | 179.8 | 120.9 | 123.9 | -96 | 148.6 | -168 | 175.4 | 0 | 111.8 | P695 | K693-P695 VanDerWaalsContact O-CD 3.26Å; K693-P695 WeakPolarHBondContact O-CD 3.4Å |
| 694 | T | 32 | Very low | 27.2 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | trans | -36 | 124 | 142.6 | -13.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 695 | P | 26.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | | | trans | -91.6 | 125.4 | 143.8 | -4.5 | 26.3 | 0 | 0 | 0 | 106.8 | K693 | K693-P695 VanDerWaalsContact O-CD 3.26Å; K693-P695 WeakPolarHBondContact O-CD 3.4Å |
| 696 | V | 28.9 | Very low | 27.6 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | | | cis | 51.1 | 97.4 | 24.6 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 697 | Y | 27.2 | Very low | 27.9 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | | | cis | -176.8 | -173.4 | 27 | -144.9 | -149 | 0 | 0 | 0 | 106.8 | | |
| 698 | L | 26.1 | Very low | 28.1 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | trans | 65.6 | 155.3 | 158.7 | -57.4 | 149.2 | 0 | 0 | 0 | 114 | | |
| 699 | S | 25.1 | Very low | 27.8 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | | | cis | -179 | 164 | -9.7 | -105.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 700 | K | 27.1 | Very low | 27.9 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | | | trans | 43.8 | 107.4 | 139.8 | -59.3 | 164.9 | -173.2 | 177.9 | 0 | 118.6 | | |
| 701 | C | 25.7 | Very low | 27.8 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | | | | 67.1 | 166.9 | 124.9 | -51.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 702 | Y | 25.9 | Very low | 27.8 | Very low | 195 Ų | 195 | 137 Ų | 137 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | | | trans | 64.7 | 104.1 | 173.4 | -51 | -71.4 | 0 | 0 | 0 | 112.9 | | |
| 703 | K | 32.1 | Very low | 28 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | | | cis | 46.7 | 64 | 45.4 | -157.1 | -177.6 | -177.5 | 176.9 | 0 | 110.9 | E705 | K703-E705 WeakPolarHBondContact CE-OE1 3.45Š|
| 704 | N | 25.8 | Very low | 28.2 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | | | trans | -146.8 | 97 | 155.4 | -77.1 | -49.7 | 0 | 0 | 0 | 103.2 | | |
| 705 | E | 32.8 | Very low | 28 | Very low | 129 Ų | 129 | 134 Ų | 134 | 60% | 0.603 | 70% | 0.702 | S | S | * | * | | | cis | 61.9 | 143.2 | 41.1 | -144.1 | -172.5 | -82.4 | 0 | 0 | 111 | K703 | K703-E705 WeakPolarHBondContact CE-OE1 3.45Š|
| 706 | I | 30.7 | Very low | 28.2 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | | | trans | 72.6 | 139.8 | 171.9 | -50.9 | 165.5 | 0 | 0 | 0 | 114.6 | | |
| 707 | P | 35 | Very low | 28.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | | | cis | -116.5 | -166.1 | -21.8 | 35.6 | -16.6 | 0 | 0 | 0 | 110.1 | | |
| 708 | T | 28.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | | | cis | -154.4 | 110.9 | 13.3 | -17 | 0 | 0 | 0 | 0 | 104.6 | | |
| 709 | S | 23.4 | Very low | 28.4 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | | | | 47.3 | 83.7 | 78.1 | 79.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 710 | Q | 29.1 | Very low | 28.5 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | | | trans | -143.1 | 69.7 | 138.9 | -120.8 | 169.8 | 12.4 | 0 | 0 | 112 | | |
| 711 | T | 26.4 | Very low | 28.8 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 64% | 0.638 | 71% | 0.708 | S | S | * | * | | | | 16.6 | 141.6 | 110.5 | -26.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 712 | Q | 26.9 | Very low | 29.1 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | trans | 73.3 | 121.3 | 172.4 | -40.5 | 174.6 | 6.9 | 0 | 0 | 112.4 | | |
| 713 | N | 29.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | | | cis | -143.2 | 155.8 | 22.6 | -73.5 | -79.7 | 0 | 0 | 0 | 108.4 | | |
| 714 | I | 27.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | | | | 52.9 | 146.9 | 58.5 | -44.4 | 172 | 0 | 0 | 0 | 110.7 | | |
| 715 | V | 29.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | | | trans | 77.1 | 120.1 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 716 | K | 29.5 | Very low | 28.8 | Very low | 173 Ų | 173 | 116.4 Ų | 116.4 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | | | cis | -167.8 | 170.4 | -9 | -120.1 | 170.5 | -133.3 | 162.9 | 0 | 108.6 | | |
| 717 | S | 29.2 | Very low | 28.5 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | | | trans | 66.4 | 145.8 | 155.4 | 35.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 718 | S | 27.7 | Very low | 27.9 | Very low | 107 Ų | 107 | 112.2 Ų | 112.2 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | | | cis | -171.6 | 150.1 | -8.4 | 158.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 719 | T | 28.7 | Very low | 27.7 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | | | cis | -170.1 | 163.2 | -26.2 | -48.4 | 0 | 0 | 0 | 0 | 105.4 | | |
| 720 | V | 29 | Very low | 27.8 | Very low | 120 Ų | 120 | 114.3 Ų | 114.3 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | | | trans | 67.7 | 98.8 | 167.9 | -168.6 | 0 | 0 | 0 | 0 | 113 | | |
| 721 | S | 33 | Very low | 27.6 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | | | cis | 57.2 | 112.9 | 35.7 | 175.7 | 0 | 0 | 0 | 0 | 115 | | |
| 722 | N | 31.7 | Very low | 27.6 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | | | | -158.9 | 75.8 | 127.1 | -92.2 | -15.9 | 0 | 0 | 0 | 113.5 | | |
| 723 | S | 28 | Very low | 27.6 | Very low | 48 Ų | 48 | 112.3 Ų | 112.3 | 34% | 0.336 | 63% | 0.629 | S | S | . | * | | | | 69.1 | 104.3 | 115.5 | 58.2 | 0 | 0 | 0 | 0 | 123.3 | V1919 | S723-V1919 WeakPolarHBondContact O-CG1 3.35Å; S723-V1919 VanDerWaalsContact OG-CG1 3.29Å; S723-V1919 WeakPolarHBondContact OG-CG1 3.27Å |
| 724 | K | 30.7 | Very low | 27.6 | Very low | 148 Ų | 148 | 113.8 Ų | 113.8 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | | | | 83 | 162.5 | 105 | -158.9 | -158.4 | 179.6 | -166.6 | 0 | 117.3 | H1920 S1921 | K724-H1920 PolarHBondContact NZ-O 2.87Å; K724-S1921 VanDerWaalsContact CE-CB 3.43Å |
| 725 | V | 26.9 | Very low | 27.7 | Very low | 48 Ų | 48 | 110.7 Ų | 110.7 | 29% | 0.291 | 63% | 0.633 | S | S | . | * | | | trans | 121.4 | 143 | 137.1 | -173.1 | 0 | 0 | 0 | 0 | 123.2 | V1919 H1920 S1921 | V725-V1919 HydrophobicContact CG2-CG1 4.21Å; V725-H1920 HydrophobicContact CB-CB 4.19Å; V725-H1920 WeakPolarHBondContact CB-CD2 3.33Å; V725-H1920 HydrophobicContact CG1-CB 4.03Å; V725-H1920 WeakPolarHBondContact CG1-CD2 3.44Å; V725-H1920 WeakPolarHBondContact CG1-ND1 3.43Å; V725-H1920 HydrophobicContact CG2-CB 3.43Å; V725-H1920 VanDerWaalsContact CG2-CB 3.43Å; V725-H1920 WeakPolarHBondContact CG2-CD2 3.26Å; V725-S1921 VanDerWaalsContact CG1-CA 3.49Å; V725-S1921 VanDerWaalsContact CG2-CB 3.49Å |
| 726 | H | 24.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 47% | 0.468 | 63% | 0.626 | S | S | . | * | | | trans | 53 | 105.8 | 151.8 | -81.2 | -69.3 | 0 | 0 | 0 | 122.9 | S1922 | H726-S1922 PolarHBondContact CE1-N 3.42Å; H726-S1922 PolarHBondContact NE2-N 3.48Å |
| 727 | C | 23.1 | Very low | 28 | Very low | 61 Ų | 61 | 109 Ų | 109 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | | | | 62.9 | 137.1 | 103.9 | -62.9 | 0 | 0 | 0 | 0 | 123.7 | N1923 | C727-N1923 PolarHBondContact SG-OD1 3.41Š|
| 728 | T | 24.2 | Very low | 28.2 | Very low | 93 Ų | 93 | 106.5 Ų | 106.5 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | | | trans | 75.5 | 116.6 | 134.5 | 48.8 | 0 | 0 | 0 | 0 | 121.3 | I1924 | T728-I1924 HydrophobicContact CG2-CD1 4.1Å; T728-I1924 HydrophobicContact CG2-CG1 4.43Å |
| 729 | T | 24 | Very low | 28.8 | Very low | 117 Ų | 117 | 106.1 Ų | 106.1 | 72% | 0.718 | 60% | 0.601 | S | S | * | * | | | trans | 60.8 | 135.4 | 132.9 | 58.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 730 | N | 24.6 | Very low | 28.9 | Very low | 129 Ų | 129 | 102.3 Ų | 102.3 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | | | trans | 70 | 158.7 | 149.6 | -82.9 | 33.5 | 0 | 0 | 0 | 117.6 | | |
| 731 | E | 25 | Very low | 29.3 | Very low | 156 Ų | 156 | 103 Ų | 103 | 73% | 0.729 | 58% | 0.577 | S | S | * | * | | | trans | 54 | 126.7 | 149.9 | -71.1 | 149.7 | -119.3 | 0 | 0 | 116.4 | | |
| 732 | N | 26 | Very low | 29.1 | Very low | 127 Ų | 127 | 103.4 Ų | 103.4 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | | | cis | 166.2 | -165.7 | 2.9 | -115.9 | 11.2 | 0 | 0 | 0 | 102.9 | | |
| 733 | D | 27.8 | Very low | 29 | Very low | 129 Ų | 129 | 103.1 Ų | 103.1 | 69% | 0.69 | 57% | 0.573 | S | S | * | * | | | trans | 60 | 108.9 | 151.2 | -52.3 | -20.6 | 0 | 0 | 0 | 118.5 | | |
| 734 | D | 28.9 | Very low | 28.9 | Very low | 150 Ų | 150 | 106.5 Ų | 106.5 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | | | | 69.9 | 113.7 | 125.5 | -65.2 | -3.6 | 0 | 0 | 0 | 119 | | |
| 735 | A | 30.2 | Very low | 28.7 | Very low | 80 Ų | 80 | 106.7 Ų | 106.7 | 66% | 0.661 | 59% | 0.593 | S | S | * | * | | | | 93.1 | 147.6 | 79.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 736 | T | 30.7 | Very low | 28.8 | Very low | 84 Ų | 84 | 111.6 Ų | 111.6 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | | | cis | -156.4 | 154.1 | -3.2 | 3.8 | 0 | 0 | 0 | 0 | 108.1 | E50 | E50-T736 HydrophobicContact CB-CG2 4.03Å; E50-T736 HydrophobicContact CG-CG2 4.17Å; E50-T736 WeakPolarHBondContact OE2-CB 3.46Å; E50-T736 WeakPolarHBondContact OE2-CG2 3.07Å |
| 737 | M | 32.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 111.9 Ų | 111.9 | 79% | 0.793 | 63% | 0.631 | S | S | * | * | | | trans | -180 | 77 | 145 | -80.9 | -17.7 | -79 | 0 | 0 | 107.6 | E50 | E50-M737 WeakPolarHBondContact OE1-CE 3.21Å; E50-M737 WeakPolarHBondContact OE2-CA 3.3Å; E50-M737 PolarHBondContact OE2-N 2.68Å |
| 738 | D | 34.4 | Very low | 28.9 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 34% | 0.337 | 65% | 0.649 | S | S | . | * | | | trans | -63.1 | 174.6 | 176.2 | -152.5 | 34.9 | 0 | 0 | 0 | 111 | E50 V51 T740 | E50-D738 HydrophobicContact CB-CB 3.7Å; E50-D738 VanDerWaalsContact CD-N 3.26Å; E50-D738 HydrophobicContact CG-CB 4.13Å; E50-D738 PolarHBondContact OE1-N 3.02Å; E50-D738 WeakPolarHBondContact OE2-CB 3.4Å; E50-D738 PolarHBondContact OE2-N 3.13Å; V51-D738 HydrophobicContact CG2-CB 4.39Å; V51-D738 PolarHBondContact N-OD2 2.96Å; D738-T740 PolarHBondContact OD1-N 3.49Å; D738-T740 WeakPolarHBondContact OD2-CB 3.32Å; D738-T740 WeakPolarHBondContact OD2-CG2 3.39Å; D738-T740 PolarHBondContact OD2-N 2.97Å; D738-T740 PolarHBondContact OD2-OG1 3.48Å |
| 739 | P | 39.7 | Very low | 29.2 | Very low | 100 Ų | 100 | 122 Ų | 122 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | | | | -134.9 | 118 | 61.1 | 35.8 | -17.5 | 0 | 0 | 0 | 116.7 | V51 | V51-P739 HydrophobicContact CB-CB 3.76Å; V51-P739 HydrophobicContact CG1-CB 3.52Å; V51-P739 HydrophobicContact CG2-CB 4.2Å |
| 740 | T | 32.3 | Very low | 29.3 | Very low | 31 Ų | 31 | 122.4 Ų | 122.4 | 19% | 0.19 | 67% | 0.666 | C | S | . | * | | | trans | 17.2 | 141.5 | 131.8 | 29.7 | 0 | 0 | 0 | 0 | 119.6 | V51 E53 D738 | V51-T740 WeakPolarHBondContact CA-OG1 3.39Å; V51-T740 VanDerWaalsContact CB-OG1 3.29Å; V51-T740 WeakPolarHBondContact CB-OG1 3.4Å; V51-T740 PolarHBondContact N-OG1 3.34Å; V51-T740 PolarHBondContact O-OG1 3.46Å; E53-T740 WeakPolarHBondContact CG-O 3.24Å; D738-T740 PolarHBondContact OD1-N 3.49Å; D738-T740 WeakPolarHBondContact OD2-CB 3.32Å; D738-T740 WeakPolarHBondContact OD2-CG2 3.39Å; D738-T740 PolarHBondContact OD2-N 2.97Å; D738-T740 PolarHBondContact OD2-OG1 3.48Å |
| 741 | L | 37.4 | Very low | 29.3 | Very low | 136 Ų | 136 | 121 Ų | 121 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | | | cis | 67.2 | 90.4 | 30.7 | -54.9 | 172.7 | 0 | 0 | 0 | 116.6 | E53 | E53-L741 VanDerWaalsContact CD-N 3.35Å; E53-L741 VanDerWaalsContact OE2-C 3.26Å; E53-L741 WeakPolarHBondContact OE2-CA 3.46Å; E53-L741 PolarHBondContact OE2-N 2.93Å |
| 742 | K | 28.7 | Very low | 29.4 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 44% | 0.435 | 67% | 0.667 | S | S | . | * | | | trans | -131.2 | 82.6 | 146.4 | -110.2 | 101.9 | -164.2 | 176.5 | 0 | 112.6 | V51 E53 | V51-K742 PolarHBondContact O-NZ 3.23Å; E53-K742 HydrophobicContact CB-CB 3.89Å; E53-K742 WeakPolarHBondContact O-CB 3.45Å; E53-K742 PolarHBondContact OE2-N 3.39Å |
| 743 | S | 28.1 | Very low | 29.5 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | | | trans | -29.5 | 135.1 | 150.3 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 744 | M | 26.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 59% | 0.586 | 67% | 0.671 | S | S | * | * | | | trans | -164.6 | 94.9 | 149.6 | -115.3 | 167.6 | -75.9 | 0 | 0 | 113.4 | K55 | K55-M744 HydrophobicContact CD-CE 3.98Å; K55-M744 HydrophobicContact CD-SD 4.06Å; K55-M744 PolarHBondContact NZ-SD 3.01Å |
| 745 | N | 25.5 | Very low | 29.3 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | | | | 45.7 | 153 | 122 | -143.2 | -15.5 | 0 | 0 | 0 | 121.1 | | |
| 746 | L | 29.6 | Very low | 29.1 | Very low | 151 Ų | 151 | 116.8 Ų | 116.8 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | | | trans | -44 | 156.7 | -170.3 | -94.4 | 59.2 | 0 | 0 | 0 | 118.1 | | |
| 747 | S | 23.9 | Very low | 28.9 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | | | trans | 80.5 | 107.1 | 164.9 | 75.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 748 | M | 26.3 | Very low | 28.6 | Very low | 161 Ų | 161 | 116.4 Ų | 116.4 | 79% | 0.793 | 67% | 0.673 | S | S | * | * | | | | -156.2 | 121.2 | 105.8 | -102.3 | -176.1 | -66.6 | 0 | 0 | 110.9 | V750 | M748-V750 PolarHBondContact O-N 2.88Š|
| 749 | F | 29.7 | Very low | 28.5 | Very low | 206 Ų | 206 | 120.3 Ų | 120.3 | 90% | 0.904 | 70% | 0.701 | S | S | * | * | | | trans | -70.1 | 121.3 | 162.7 | -83.3 | -104.2 | 0 | 0 | 0 | 109.2 | | |
| 750 | V | 27.1 | Very low | 28 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | | | trans | -140.3 | 117.7 | 148.6 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | M748 | M748-V750 PolarHBondContact O-N 2.88Š|
| 751 | S | 24.7 | Very low | 27.8 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | -75 | 136.4 | 177 | -38.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 752 | T | 26.1 | Very low | 27.3 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | | | trans | -130.8 | 69.4 | 163.8 | 43.6 | 0 | 0 | 0 | 0 | 112.2 | V754 | T752-V754 HydrophobicContact CG2-CG2 4.2Å; T752-V754 PolarHBondContact O-N 3.45Å |
| 753 | S | 29.5 | Very low | 27.2 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | -66.4 | 78.3 | 151.5 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 754 | V | 25.9 | Very low | 27.1 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 66% | 0.655 | 74% | 0.738 | S | S | * | * | | | trans | -127.7 | 74.7 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | T752 | T752-V754 HydrophobicContact CG2-CG2 4.2Å; T752-V754 PolarHBondContact O-N 3.45Å |
| 755 | T | 26.4 | Very low | 27.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | | 62.2 | 118.8 | 96.2 | 63.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 756 | S | 26.4 | Very low | 27.6 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | 53.9 | 100.6 | 146 | 62.1 | 0 | 0 | 0 | 0 | 119 | | |
| 757 | L | 26.1 | Very low | 27.9 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 94% | 0.942 | 74% | 0.742 | S | S | * | * | | | | -114.7 | 105.9 | 121.9 | -79.2 | 175.7 | 0 | 0 | 0 | 108.5 | | |
| 758 | A | 26.9 | Very low | 28.3 | Very low | 58 Ų | 58 | 128.9 Ų | 128.9 | 48% | 0.479 | 74% | 0.744 | S | S | . | * | | | trans | -85.8 | 151.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S760 | A758-S760 PolarHBondContact O-N 2.95Š|
| 759 | P | 32.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -71.4 | 62.4 | 157.9 | 33 | -34.3 | 0 | 0 | 0 | 109.4 | | |
| 760 | S | 27.9 | Very low | 28.8 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | trans | -121.3 | 42.9 | 177.9 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | A758 | A758-S760 PolarHBondContact O-N 2.95Š|
| 761 | Q | 28.3 | Very low | 29.1 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -122.9 | 113 | 162.6 | -70 | -161.7 | 8.5 | 0 | 0 | 110.3 | G763 | Q761-G763 PolarHBondContact O-N 2.9Š|
| 762 | T | 27.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 119 Ų | 119 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | | | trans | -66.8 | 79.6 | 152.4 | -51 | 0 | 0 | 0 | 0 | 107.2 | T764 | T762-T764 PolarHBondContact O-N 3.12Š|
| 763 | G | 27.1 | Very low | 30.3 | Very low | 42 Ų | 42 | 120.1 Ų | 120.1 | 43% | 0.433 | 74% | 0.743 | S | S | . | * | | | trans | -91.9 | 82.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q761 Y765 | Q761-G763 PolarHBondContact O-N 2.9Å; G763-Y765 PolarHBondContact O-N 2.98Å |
| 764 | T | 26.8 | Very low | 30.8 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | | | trans | -73.9 | 90.7 | 171 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | T762 V766 | T762-T764 PolarHBondContact O-N 3.12Å; T764-V766 HydrophobicContact CG2-CG2 4.4Å; T764-V766 PolarHBondContact O-N 2.76Å |
| 765 | Y | 31.5 | Very low | 31.6 | Very low | 190 Ų | 190 | 117.9 Ų | 117.9 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | | | trans | -81.6 | 97.3 | 170.7 | -77.5 | -83.1 | 0 | 0 | 0 | 110.5 | G763 | G763-Y765 PolarHBondContact O-N 2.98Š|
| 766 | V | 29.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | | | trans | -75.1 | 118.9 | 158.2 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | T764 D768 | T764-V766 HydrophobicContact CG2-CG2 4.4Å; T764-V766 PolarHBondContact O-N 2.76Å; V766-D768 HydrophobicContact CG1-CB 4.2Å |
| 767 | I | 36.9 | Very low | 32.8 | Very low | 162 Ų | 162 | 116 Ų | 116 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | | | trans | -109.4 | 118.2 | 158.5 | -63 | -178.6 | 0 | 0 | 0 | 105.6 | | |
| 768 | D | 32.5 | Very low | 33.4 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | | | trans | -108.8 | 159 | -173.4 | -173.7 | 15.9 | 0 | 0 | 0 | 109.7 | V766 | V766-D768 HydrophobicContact CG1-CB 4.2Š|
| 769 | G | 32.3 | Very low | 33.8 | Very low | 74 Ų | 74 | 115.8 Ų | 115.8 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | | | trans | 87.4 | 102.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 770 | G | 33.4 | Very low | 33.9 | Very low | 76 Ų | 76 | 115.5 Ų | 115.5 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | | | trans | -175.4 | 67.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 771 | D | 34 | Very low | 34.1 | Very low | 171 Ų | 171 | 115.9 Ų | 115.9 | 91% | 0.914 | 67% | 0.673 | S | S | * | * | | | trans | -57.2 | 142.8 | -176.6 | -71.8 | -54.3 | 0 | 0 | 0 | 113.8 | | |
| 772 | G | 35.9 | Very low | 34.5 | Very low | 63 Ų | 63 | 116 Ų | 116 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | | | trans | 155.8 | 81.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 773 | I | 39.8 | Very low | 34.7 | Very low | 141 Ų | 141 | 115.1 Ų | 115.1 | 72% | 0.723 | 67% | 0.668 | S | S | * | * | | | | 49.1 | 105 | 65.6 | -52.8 | 176.7 | 0 | 0 | 0 | 109.4 | | |
| 774 | D | 39.5 | Very low | 35.2 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | | | cis | -162.4 | 164.5 | -0.2 | -117.7 | -5.1 | 0 | 0 | 0 | 108.4 | | |
| 775 | D | 43.7 | Very low | 35.6 | Very low | 51 Ų | 51 | 119.1 Ų | 119.1 | 27% | 0.273 | 68% | 0.679 | S | S | . | * | | | trans | 91.5 | 149.7 | 140.1 | -75.1 | 32.9 | 0 | 0 | 0 | 124.5 | D253 I254 | D253-D775 HydrophobicContact CB-CB 3.86Å; I254-D775 HydrophobicContact CB-CB 4.06Å; I254-D775 HydrophobicContact CG2-CB 4.01Å; I254-D775 WeakPolarHBondContact CG2-OD1 3.49Å; I254-D775 PolarHBondContact N-OD2 2.74Å |
| 776 | D | 40.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | | | trans | -165.3 | -101.6 | -161.9 | -168.2 | 75.7 | 0 | 0 | 0 | 115.6 | D253 I254 | D253-D776 CarbonylContact C-O 3.42Å; D253-D776 VanDerWaalsContact C-O 3.24Å; D253-D776 PolarHBondContact N-O 3.41Å; D253-D776 CarbonylContact O-C 3.51Å; D253-D776 VanDerWaalsContact O-C 3.29Å; I254-D776 HydrophobicContact CB-CB 4.34Å; I254-D776 VanDerWaalsContact CB-N 3.31Å; I254-D776 HydrophobicContact CD1-CB 3.8Å; I254-D776 HydrophobicContact CG1-CB 3.97Å |
| 777 | N | 37.8 | Very low | 36.2 | Very low | 64 Ų | 64 | 116.3 Ų | 116.3 | 34% | 0.342 | 67% | 0.668 | S | S | . | * | | | trans | 9 | 163.7 | 176.8 | -91.3 | 23.2 | 0 | 0 | 0 | 122.5 | I254 N255 | I254-N777 HydrophobicContact CB-CB 4.24Å; I254-N777 HydrophobicContact CG1-CB 3.59Å; N255-N777 PolarHBondContact O-ND2 3.4Å |
| 778 | D | 37.1 | Very low | 36.1 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | | | cis | -151.5 | 178 | 11.4 | -138.8 | -32 | 0 | 0 | 0 | 113.9 | | |
| 779 | D | 35.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 115.1 Ų | 115.1 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | | | trans | -18.9 | 143.2 | 153.1 | -92.6 | -16.9 | 0 | 0 | 0 | 117.8 | | |
| 780 | N | 35.6 | Very low | 36.6 | Very low | 138 Ų | 138 | 118.1 Ų | 118.1 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | | | | -166.4 | 124.9 | 100.8 | -109 | -83.1 | 0 | 0 | 0 | 116.2 | | |
| 781 | N | 32 | Very low | 36.8 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 56% | 0.556 | 65% | 0.648 | S | S | * | * | | | trans | 21.6 | 126.9 | 133.9 | -67.8 | -67.4 | 0 | 0 | 0 | 120.2 | | |
| 782 | N | 35.9 | Very low | 36.7 | Very low | 161 Ų | 161 | 118.1 Ų | 118.1 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | | | | -150.9 | 76.9 | 115.9 | -106.9 | -54.5 | 0 | 0 | 0 | 113.4 | | |
| 783 | N | 32 | Very low | 36.8 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | | | trans | -9.7 | 134.4 | 143.6 | -176.6 | 5.4 | 0 | 0 | 0 | 116.7 | | |
| 784 | T | 36.1 | Very low | 36.4 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | | | trans | -155 | 106.9 | 154 | -8.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 785 | N | 35.2 | Very low | 36.3 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | | | | 54.1 | 121.7 | 129.6 | -63.2 | -0.5 | 0 | 0 | 0 | 118.3 | | |
| 786 | Q | 37 | Very low | 35.7 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | | | cis | -164.3 | 155.5 | 41.7 | -84.4 | -149.4 | -104.9 | 0 | 0 | 115.6 | | |
| 787 | D | 36.5 | Very low | 35.5 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 49% | 0.487 | 68% | 0.679 | S | S | . | * | | | trans | 75.6 | 108 | 134.4 | -67.1 | 14 | 0 | 0 | 0 | 124.5 | | |
| 788 | F | 35.9 | Very low | 35.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | | | | 79.6 | 143.9 | 122.1 | -59.7 | -21.5 | 0 | 0 | 0 | 121.1 | | |
| 789 | L | 37.6 | Very low | 35.2 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | | | cis | -158.7 | 140.3 | -15.8 | -99.6 | 169.3 | 0 | 0 | 0 | 110.1 | | |
| 790 | Q | 37.4 | Very low | 35.2 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 64% | 0.64 | 70% | 0.7 | S | S | * | * | | | trans | 73.9 | 123.1 | 135.9 | -74.1 | 176.4 | -42.4 | 0 | 0 | 125.6 | | |
| 791 | H | 38.1 | Very low | 35.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | | | | 81.5 | 104.6 | 127.6 | -61.8 | -34.1 | 0 | 0 | 0 | 121.6 | | |
| 792 | S | 31.3 | Very low | 35.5 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | | | | 34 | 140.8 | 96.5 | -34.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 793 | D | 37.4 | Very low | 35.6 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | | | | -162.3 | 173.6 | 52.8 | -103.2 | -48.1 | 0 | 0 | 0 | 114.4 | | |
| 794 | E | 31.5 | Very low | 35.8 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | | | trans | -72.3 | 149.4 | 171.4 | -49.9 | 178.8 | 145.6 | 0 | 0 | 112.9 | | |
| 795 | Q | 37.2 | Very low | 35.9 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | | | | 177 | 120.3 | 123.9 | -97.7 | 162.5 | 86.4 | 0 | 0 | 115.5 | | |
| 796 | N | 32.4 | Very low | 36 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | | | | 65.9 | 158.9 | 111.6 | -141.9 | -1.3 | 0 | 0 | 0 | 122.3 | | |
| 797 | I | 36.6 | Very low | 35.8 | Very low | 133 Ų | 133 | 137 Ų | 137 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | | | trans | 79.1 | 92.8 | 154.4 | -74.5 | 156.8 | 0 | 0 | 0 | 120.4 | | |
| 798 | H | 32.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 138 Ų | 138 | 73% | 0.731 | 70% | 0.699 | S | S | * | * | | | | 88.9 | 102.1 | 103.8 | -135.7 | -129 | 0 | 0 | 0 | 122.8 | | |
| 799 | L | 34.8 | Very low | 35.6 | Very low | 118 Ų | 118 | 142 Ų | 142 | 62% | 0.618 | 71% | 0.709 | S | S | * | * | | | | 75.1 | 154.2 | 127.4 | -71.1 | -169.7 | 0 | 0 | 0 | 124.5 | | |
| 800 | Y | 35 | Very low | 35.5 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | | | trans | 81.6 | 139.9 | 146 | -86.1 | -159.3 | 0 | 0 | 0 | 118.5 | | |
| 801 | K | 37.6 | Very low | 35.4 | Very low | 130 Ų | 130 | 139 Ų | 139 | 57% | 0.565 | 73% | 0.727 | S | S | * | * | | | cis | -168.1 | 177.4 | -11.9 | -140.6 | -178.6 | 178 | 172.5 | 0 | 111.9 | | |
| 802 | D | 37.7 | Very low | 35.6 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | | | trans | 70.6 | 147.8 | 151.5 | -60 | -24.6 | 0 | 0 | 0 | 119 | | |
| 803 | N | 37.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | | | cis | -166.9 | -179.5 | -24.8 | -105.6 | -17.7 | 0 | 0 | 0 | 110.6 | | |
| 804 | D | 36.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | | | trans | 74.7 | 140.7 | 152.5 | -64.6 | -11.4 | 0 | 0 | 0 | 120.5 | | |
| 805 | L | 37.2 | Very low | 35.4 | Very low | 134 Ų | 134 | 141 Ų | 141 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | | | cis | -162.8 | 163.6 | -17.3 | -116.3 | 169.1 | 0 | 0 | 0 | 110.7 | | |
| 806 | I | 37.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | | | trans | 77 | 87 | 154.2 | -65.1 | 157.5 | 0 | 0 | 0 | 119.6 | | |
| 807 | T | 33.2 | Very low | 35.3 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | | | | 38.9 | 159.9 | 111.7 | 45 | 0 | 0 | 0 | 0 | 124.1 | | |
| 808 | P | 38.5 | Very low | 35 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | trans | -131.9 | -142.1 | -151.4 | 45.2 | -26.3 | 0 | 0 | 0 | 114.1 | | |
| 809 | R | 30.7 | Very low | 35.1 | Very low | 247 Ų | 247 | 137.4 Ų | 137.4 | 93% | 0.932 | 73% | 0.725 | S | S | * | * | | | trans | 89.8 | 142.9 | 176.2 | -59.1 | 170.2 | 154.4 | 171.5 | -7 | 115.1 | | |
| 810 | G | 34.2 | Very low | 35.2 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | | | trans | 168.7 | 27.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 811 | S | 36.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | | | trans | -74.8 | 143.2 | 159.4 | -46.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 812 | P | 41.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | | -160.5 | 177.8 | 81.6 | 43.5 | -23.7 | 0 | 0 | 0 | 118.1 | | |
| 813 | K | 32.3 | Very low | 35.2 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 57 | 114.8 | 137.2 | -79.6 | 169.3 | -177.6 | 174 | 0 | 121.7 | | |
| 814 | R | 31.2 | Very low | 35.1 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | | | | 85.1 | 163 | 115.2 | -85.7 | -168.6 | -178.4 | 163.6 | -1.3 | 121.6 | | |
| 815 | D | 32.8 | Very low | 35 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | | | trans | 63.2 | 107.6 | 162.9 | -49.9 | -28.9 | 0 | 0 | 0 | 115.2 | | |
| 816 | I | 32.1 | Very low | 34.8 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | cis | 63.9 | 95.3 | 48.8 | -46.6 | 169.4 | 0 | 0 | 0 | 112.4 | | |
| 817 | T | 34.9 | Very low | 34.4 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | 177.6 | 118.5 | 146 | -72.6 | 0 | 0 | 0 | 0 | 105.3 | | |
| 818 | A | 32.2 | Very low | 34.2 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 60% | 0.603 | 72% | 0.716 | S | S | * | * | | | cis | 92.8 | 153.3 | 34.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 819 | E | 34.2 | Very low | 33.8 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | 71.4 | 156.8 | 173.5 | -47.6 | -45.5 | 125.7 | 0 | 0 | 120.2 | | |
| 820 | G | 37.7 | Very low | 33.9 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | trans | 101.5 | 59.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 821 | E | 37.7 | Very low | 33.7 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | | | | 92.2 | 121.5 | 70.1 | -76.5 | -141.4 | 123.3 | 0 | 0 | 117.6 | | |
| 822 | L | 37.9 | Very low | 33.5 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | | | trans | 67.2 | 103.8 | 136 | -60.4 | 176.7 | 0 | 0 | 0 | 123.5 | | |
| 823 | L | 34.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | | | trans | -24.5 | 140.8 | 146.2 | -67.2 | 159 | 0 | 0 | 0 | 116.9 | | |
| 824 | N | 34.1 | Very low | 32.7 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 43% | 0.428 | 67% | 0.673 | S | S | . | * | | | trans | -153.1 | 75.9 | 159.3 | -124.8 | -44 | 0 | 0 | 0 | 116.8 | S442 R443 S444 | S442-N824 CarbonylContact C-O 3.55Å; R443-N824 WeakPolarHBondContact CA-O 3.5Å; R443-N824 PolarHBondContact N-O 3Å; S444-N824 PolarHBondContact N-OD1 3.3Å |
| 825 | R | 35.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 42% | 0.423 | 67% | 0.672 | S | S | . | * | | | trans | 53.3 | 139.9 | 136 | -46.3 | 165.7 | -178.3 | 138.6 | -23.6 | 121.6 | R443 S444 N445 L446 | R443-R825 CarbonylContact C-O 2.99Å; R443-R825 WeakPolarHBondContact CA-O 3.45Å; R443-R825 PolarHBondContact N-O 3.28Å; S444-R825 WeakPolarHBondContact O-CB 3.42Å; N445-R825 PolarHBondContact OD1-NH1 3.08Å; N445-R825 VanDerWaalsContact OD1-NH1 3.13Å; N445-R825 PolarHBondContact OD1-NH2 3.2Å; N445-R825 VanDerWaalsContact OD1-NH2 3.16Å; L446-R825 VanDerWaalsContact N-NH2 3.11Å |
| 826 | R | 31.9 | Very low | 32.5 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | trans | 56.5 | 143 | 140.3 | -110.6 | -175.3 | -173.4 | 170.3 | 2.2 | 118.2 | S444 | S444-R826 VanDerWaalsContact O-CB 3.22Å; S444-R826 WeakPolarHBondContact O-CB 3.47Å |
| 827 | S | 29.5 | Very low | 32.4 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | | | cis | 179.3 | 162 | 29 | -155 | 0 | 0 | 0 | 0 | 110.5 | | |
| 828 | T | 29.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | | | trans | 51.7 | 121 | 151 | 47.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 829 | N | 30.1 | Very low | 32 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | | | trans | 44 | 127.7 | 130.9 | -38.8 | -5.7 | 0 | 0 | 0 | 120.2 | | |
| 830 | H | 31.4 | Very low | 31.7 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | | | | 162 | 150.5 | 90.7 | -99.1 | -59.8 | 0 | 0 | 0 | 113.6 | | |
| 831 | L | 30.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | | | trans | 64.5 | 152.8 | 159.1 | -91.3 | 66.8 | 0 | 0 | 0 | 116.1 | | |
| 832 | S | 32.7 | Very low | 31.3 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | | | cis | -145.8 | 134 | -11.6 | -155 | 0 | 0 | 0 | 0 | 105.6 | | |
| 833 | N | 29 | Very low | 31.2 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 60% | 0.604 | 66% | 0.663 | S | S | * | * | | | cis | 64.3 | 117.7 | 48 | -149.5 | 18.2 | 0 | 0 | 0 | 113 | | |
| 834 | N | 28.2 | Very low | 31 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 66% | 0.663 | 65% | 0.65 | S | S | * | * | | | trans | 47.7 | 116.9 | 164.5 | -57.7 | -40.7 | 0 | 0 | 0 | 119.9 | | |
| 835 | Q | 30.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | | | | -172.7 | 119.7 | 112.3 | -99.1 | 149.2 | 103.1 | 0 | 0 | 109.4 | | |
| 836 | Q | 29.3 | Very low | 30.5 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | | | | 73.1 | 152.9 | 95.8 | -70 | -175.1 | 8.7 | 0 | 0 | 114.9 | | |
| 837 | T | 29.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | | | trans | 73.4 | 146.9 | 164.8 | 76.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 838 | K | 30 | Very low | 30.8 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | | | cis | -160.2 | 147.2 | -19.4 | -113.3 | 166.1 | -170.5 | 172.2 | 0 | 108.2 | | |
| 839 | Q | 28.4 | Very low | 31 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | | | trans | 59.9 | 127.3 | 143.8 | -67 | 160.9 | -23 | 0 | 0 | 120.3 | | |
| 840 | L | 28.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | | | trans | -6.8 | 142.7 | 132.3 | -51.4 | 116.6 | 0 | 0 | 0 | 115.6 | Q842 | L840-Q842 HydrophobicContact CB-CB 3.91Å; L840-Q842 HydrophobicContact CD2-CB 3.73Å; L840-Q842 HydrophobicContact CD2-CG 4.33Å; L840-Q842 HydrophobicContact CG-CB 4.45Å |
| 841 | P | 39.2 | Very low | 31 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | | | | -101.6 | 152.8 | 64.1 | -11.7 | 29.9 | 0 | 0 | 0 | 113.2 | F843 | P841-F843 HydrophobicContact CB-CD2 4.31Š|
| 842 | Q | 27.9 | Very low | 31.1 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | | | cis | 63.4 | 60.7 | 12.5 | -153.1 | 178 | 14.8 | 0 | 0 | 116 | L840 | L840-Q842 HydrophobicContact CB-CB 3.91Å; L840-Q842 HydrophobicContact CD2-CB 3.73Å; L840-Q842 HydrophobicContact CD2-CG 4.33Å; L840-Q842 HydrophobicContact CG-CB 4.45Å |
| 843 | F | 34.5 | Very low | 31.2 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.803 | 68% | 0.682 | S | S | * | * | | | | -134.2 | 107.8 | 129.9 | -78.3 | -71.6 | 0 | 0 | 0 | 106.1 | P841 | P841-F843 HydrophobicContact CB-CD2 4.31Š|
| 844 | E | 30.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 56% | 0.556 | 68% | 0.684 | S | S | * | * | | | cis | 72.6 | 144.5 | 46.6 | -154.1 | -147.5 | -167.4 | 0 | 0 | 112.3 | | |
| 845 | K | 31.1 | Very low | 31.2 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | | | trans | 69.7 | 101.6 | -172.9 | -80.7 | 91.1 | -158.9 | -176.1 | 0 | 116.3 | | |
| 846 | D | 29.6 | Very low | 31.4 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 69% | 0.685 | S | S | * | * | | | | 46.1 | 121.1 | 103.1 | -39.5 | -18.8 | 0 | 0 | 0 | 116.3 | | |
| 847 | F | 35.5 | Very low | 31.7 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 79% | 0.789 | 68% | 0.683 | S | S | * | * | | | | -141.1 | 127.3 | 91.6 | -118.5 | -96.6 | 0 | 0 | 0 | 106 | | |
| 848 | E | 31.4 | Very low | 31.8 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | | | | 42.8 | 114.2 | 76.9 | -101.7 | -160.6 | -135.9 | 0 | 0 | 110.3 | | |
| 849 | N | 32.8 | Very low | 31.6 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 58% | 0.578 | 69% | 0.689 | S | S | * | * | | | cis | -138.3 | 172.8 | 21.1 | -95.5 | -71 | 0 | 0 | 0 | 107.6 | | |
| 850 | S | 29.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | | | | 48 | 148.4 | 58.6 | 120.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 851 | M | 32.6 | Very low | 31.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | | | cis | -163.9 | 174.4 | 37.3 | -157.4 | -173 | 178.2 | 0 | 0 | 108.4 | | |
| 852 | L | 32.1 | Very low | 31 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | | | trans | 76.9 | 138.7 | 161.1 | -56 | 174.9 | 0 | 0 | 0 | 114.7 | | |
| 853 | P | 34.3 | Very low | 30.8 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | | | | -133.9 | -106 | -81.3 | 26.4 | -3.6 | 0 | 0 | 0 | 108.3 | | |
| 854 | V | 28.7 | Very low | 30.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 65% | 0.648 | 70% | 0.699 | S | S | * | * | | | trans | 59.3 | 108.4 | 152.2 | 169.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 855 | E | 29.1 | Very low | 30.2 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | cis | -167.9 | 171.7 | -9.6 | -128.6 | 157.6 | -140.4 | 0 | 0 | 109.6 | | |
| 856 | H | 34.9 | Very low | 29.9 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 75% | 0.75 | 72% | 0.722 | S | S | * | * | | | trans | 42.5 | 133.8 | 150.4 | -75.8 | -60.1 | 0 | 0 | 0 | 121.2 | | |
| 857 | V | 36.2 | Very low | 29.9 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | cis | -134.4 | 134.9 | 14.2 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | T859 | V857-T859 HydrophobicContact CG1-CG2 4.45Š|
| 858 | Q | 31.5 | Very low | 29.6 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | trans | -89.3 | 101.3 | 165.8 | -180 | 178.8 | -1.4 | 0 | 0 | 110.2 | | |
| 859 | T | 26 | Very low | 29.7 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | trans | -143.7 | 125.1 | 163.5 | 28.4 | 0 | 0 | 0 | 0 | 110.2 | V857 | V857-T859 HydrophobicContact CG1-CG2 4.45Š|
| 860 | L | 27.6 | Very low | 30 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | | | cis | -179.5 | 112.2 | -26.5 | -118.9 | 164.1 | 0 | 0 | 0 | 104.7 | A862 | L860-A862 PolarHBondContact O-N 3.08Š|
| 861 | T | 27.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | | | trans | -75.2 | 113.9 | 158.2 | -51.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 862 | A | 27.3 | Very low | 30.9 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | trans | -178.4 | 131.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L860 | L860-A862 PolarHBondContact O-N 3.08Š|
| 863 | H | 24.5 | Very low | 31.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | -77.3 | 113.7 | 149.8 | -97 | -122.1 | 0 | 0 | 0 | 109.6 | | |
| 864 | H | 26.4 | Very low | 31.3 | Very low | 168 Ų | 168 | 145 Ų | 145 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | | | trans | -141.7 | 113.2 | 145.5 | -89 | -60.4 | 0 | 0 | 0 | 106 | | |
| 865 | Q | 25.9 | Very low | 31.6 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | | 51.9 | 48.3 | 61.1 | -64.9 | -160.2 | -11.4 | 0 | 0 | 114.4 | | |
| 866 | Y | 24.9 | Very low | 31.7 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | | | | -112.7 | 119.2 | 109.7 | -91.9 | -107.1 | 0 | 0 | 0 | 106.5 | | |
| 867 | S | 29.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | | 69.6 | 88.3 | 76.3 | -164.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 868 | G | 29.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | trans | 173.3 | 34.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 869 | N | 32.7 | Very low | 31.4 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | 29.2 | 113.5 | 164.3 | -57.4 | -27.1 | 0 | 0 | 0 | 117.8 | | |
| 870 | K | 40.3 | Very low | 31.5 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | | -162 | 130 | 65.7 | -71.9 | 147.9 | -177.4 | 176.9 | 0 | 112.1 | | |
| 871 | R | 38.6 | Very low | 31.9 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | 41 | 136.2 | 133.3 | -69.7 | -171.6 | 166.5 | -179.2 | -5.9 | 120.8 | | |
| 872 | L | 42.8 | Very low | 31.9 | Very low | 131 Ų | 131 | 143 Ų | 143 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | cis | -163.5 | 146.6 | 1.5 | -87.1 | 152 | 0 | 0 | 0 | 110.6 | | |
| 873 | N | 38.5 | Very low | 32.2 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | | | trans | 54 | 152.4 | 137.5 | -59.3 | 37.5 | 0 | 0 | 0 | 122.5 | | |
| 874 | D | 35.6 | Very low | 32.6 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | cis | -165.8 | 155.9 | -13.6 | -109.1 | -34.7 | 0 | 0 | 0 | 114.5 | | |
| 875 | S | 34.9 | Very low | 33.1 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | trans | 44.1 | 128.1 | 147.8 | -59.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 876 | I | 31.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 136 Ų | 136 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | | 73.6 | 120.2 | 56.1 | -58.7 | 163.3 | 0 | 0 | 0 | 112.1 | | |
| 877 | S | 30.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | | -167.9 | 159.2 | 77.2 | -169.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 878 | T | 30.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -94.2 | 169.9 | 171.2 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 879 | V | 34.3 | Very low | 34.4 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | | | trans | -172.2 | 149 | 139.9 | 137.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 880 | D | 28.1 | Very low | 34.4 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | trans | -76.1 | 165.1 | 178.1 | -106.2 | -62.7 | 0 | 0 | 0 | 115.2 | | |
| 881 | L | 35.8 | Very low | 34 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | | 174.3 | 125.1 | 117.2 | -92.6 | 167.2 | 0 | 0 | 0 | 116 | | |
| 882 | T | 27.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | trans | -41.5 | 142.8 | 172 | 57 | 0 | 0 | 0 | 0 | 118.8 | | |
| 883 | K | 34.4 | Very low | 32.8 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | | | trans | -171.6 | 143.5 | 137.6 | -106.4 | 155.3 | -172 | 171.9 | 0 | 115.6 | | |
| 884 | T | 31.7 | Very low | 32.2 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 54% | 0.54 | 74% | 0.739 | S | S | . | * | | | trans | -135 | 178.5 | 177.2 | 37.2 | 0 | 0 | 0 | 0 | 108.6 | Q1372 S1373 | T884-Q1372 PolarHBondContact OG1-O 3.34Å; T884-S1373 PolarHBondContact OG1-O 3.37Å |
| 885 | P | 38.2 | Very low | 31.8 | Very low | 60 Ų | 60 | 132.1 Ų | 132.1 | 39% | 0.39 | 75% | 0.745 | S | S | . | * | | | cis | -135.5 | -170.3 | -24.4 | 28.9 | -5.4 | 0 | 0 | 0 | 113.7 | R1374 | P885-R1374 VanDerWaalsContact CD-O 3.24Å; P885-R1374 WeakPolarHBondContact CD-O 3.49Å; P885-R1374 WeakPolarHBondContact CG-O 3.46Å |
| 886 | S | 30 | Very low | 31.4 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | | | trans | 45.3 | 130.6 | 141.3 | 62.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 887 | N | 37.3 | Very low | 31.1 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | | | trans | -135.7 | 136.2 | 147.3 | -111.3 | -32.7 | 0 | 0 | 0 | 109.5 | | |
| 888 | E | 32.7 | Very low | 30.9 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -100.1 | 158.3 | -176.4 | -58.5 | 177.8 | 153 | 0 | 0 | 112 | | |
| 889 | K | 35.7 | Very low | 30.6 | Very low | 216 Ų | 216 | 130.6 Ų | 130.6 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | | | trans | -157.9 | 91.5 | 154.7 | -124.7 | 179.6 | -175.3 | -176.8 | 0 | 113.8 | | |
| 890 | P | 33.1 | Very low | 30.2 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | trans | -103.7 | 140.5 | 171.3 | 36.1 | -29.2 | 0 | 0 | 0 | 112.8 | | |
| 891 | L | 31.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | | | trans | -161.8 | 122.1 | 161 | -135.6 | 70.1 | 0 | 0 | 0 | 105.7 | | |
| 892 | C | 24.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | cis | 74.6 | 152.4 | 37.8 | -147.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 893 | I | 32.9 | Very low | 30.4 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | 87 | 96.1 | -156.2 | -54.7 | 159.3 | 0 | 0 | 0 | 110.7 | | |
| 894 | T | 26.2 | Very low | 30.5 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | | | cis | 79.1 | 141.9 | 45.3 | 76.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 895 | S | 26.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | | | trans | 87.6 | 134.1 | 159.3 | -51.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 896 | S | 25.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | -74.7 | 144.1 | 160.7 | 47.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 897 | T | 27 | Very low | 30.7 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | | 178 | 122.6 | 129.3 | 32.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 898 | V | 24.9 | Very low | 30.4 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | | 38.7 | 136.8 | 115.4 | 178 | 0 | 0 | 0 | 0 | 119.9 | | |
| 899 | C | 24.2 | Very low | 30.4 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | trans | 94.4 | 118 | 156.1 | -87.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 900 | L | 26.5 | Very low | 30.2 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | 65.1 | 113.4 | 132.4 | -59 | 168.3 | 0 | 0 | 0 | 120.1 | | |
| 901 | T | 31.9 | Very low | 30.2 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | | | | -147.4 | 111.8 | 101.3 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 902 | E | 30 | Very low | 30.2 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | | | trans | -103 | 133.6 | 162.2 | 175.5 | -178.6 | -155 | 0 | 0 | 107.3 | | |
| 903 | T | 33.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | | | trans | -145.3 | 107.4 | 172.5 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 904 | H | 35.8 | Very low | 30.6 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 73% | 0.731 | 73% | 0.732 | S | S | * | * | | | trans | 56.3 | 136.5 | 134.3 | -60.8 | -66.2 | 0 | 0 | 0 | 119.5 | | |
| 905 | D | 34.7 | Very low | 30.8 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | | | cis | -166.1 | 154.8 | 8.5 | -129.6 | 8.6 | 0 | 0 | 0 | 111.9 | | |
| 906 | N | 34.5 | Very low | 31 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | | | trans | 47.9 | 139.6 | 142.4 | -70.1 | -47.2 | 0 | 0 | 0 | 120.5 | | |
| 907 | K | 35.5 | Very low | 31.2 | Very low | 165 Ų | 165 | 138 Ų | 138 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | cis | -172.1 | 157.3 | 17.2 | -129.7 | 171.7 | -175.2 | 177 | 0 | 110.4 | | |
| 908 | L | 31 | Very low | 31.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | | | trans | 41.7 | 148.3 | 136.6 | -100.5 | 57 | 0 | 0 | 0 | 121.1 | | |
| 909 | Q | 32 | Very low | 31.3 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | | | cis | -159 | 179.9 | 18.1 | -159.6 | 148.7 | 3.5 | 0 | 0 | 113 | | |
| 910 | D | 31.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | | | trans | -43 | 167.1 | 164.3 | -47 | -97.6 | 0 | 0 | 0 | 114.5 | | |
| 911 | S | 33.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | cis | -171 | 138.2 | 36.1 | 63.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 912 | K | 31.8 | Very low | 31.3 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | | | | 34.4 | 137.1 | 126.7 | -63.2 | 177.4 | 176.5 | 166.8 | 0 | 122.7 | | |
| 913 | N | 30.9 | Very low | 31.2 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | | | trans | 108.8 | 137 | 133.4 | -70.3 | -21.7 | 0 | 0 | 0 | 120.7 | | |
| 914 | K | 34.8 | Very low | 30.8 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | | | trans | 65.9 | 127.1 | 164.9 | -65.6 | -179.7 | 177.9 | -170.8 | 0 | 115.8 | | |
| 915 | K | 30.4 | Very low | 30.6 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | | | cis | 79.9 | 138.8 | 25.6 | -153.6 | -142.4 | 169.7 | -141.1 | 0 | 113.9 | | |
| 916 | D | 31.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 141 Ų | 141 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | | | trans | 81.2 | 138.3 | -177.8 | -46.4 | -33.8 | 0 | 0 | 0 | 111.8 | | |
| 917 | V | 28.9 | Very low | 30 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | cis | 172.9 | 169.8 | -14.3 | 128.9 | 0 | 0 | 0 | 0 | 104.4 | | |
| 918 | L | 29.8 | Very low | 29.5 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | | | trans | 77.5 | 123.9 | -173 | -58.2 | 123.1 | 0 | 0 | 0 | 113.6 | | |
| 919 | S | 25 | Very low | 29.3 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | cis | 92.9 | 121.9 | 27 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 920 | H | 25.8 | Very low | 29 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | | | trans | 54 | 127.5 | 174 | -48.7 | -71.4 | 0 | 0 | 0 | 115 | | |
| 921 | L | 27.5 | Very low | 28.8 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | | -161.9 | 132.2 | 67.1 | -107.1 | 96.6 | 0 | 0 | 0 | 107.3 | | |
| 922 | I | 28.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | | 81.2 | 101.8 | 87.3 | -81.8 | 178.8 | 0 | 0 | 0 | 112.6 | | |
| 923 | D | 26.9 | Very low | 28.3 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | | 71.7 | 140.2 | 125.5 | -49.8 | -7.5 | 0 | 0 | 0 | 122.2 | | |
| 924 | N | 26.8 | Very low | 28 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 54.8 | 112.9 | 146.6 | -51.8 | -13 | 0 | 0 | 0 | 119 | | |
| 925 | L | 31.2 | Very low | 27.6 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | | -151.4 | 161.9 | 89.5 | -129.9 | 76.3 | 0 | 0 | 0 | 111.3 | | |
| 926 | E | 28.2 | Very low | 27.3 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -80.2 | -172.2 | 178.8 | -61.3 | 115.5 | 121.2 | 0 | 0 | 114.4 | | |
| 927 | D | 27.6 | Very low | 26.9 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | 84.1 | 138.9 | 161 | -73.9 | -19.4 | 0 | 0 | 0 | 121.4 | | |
| 928 | S | 25.4 | Very low | 26.7 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | 64.4 | 88.7 | 157.2 | -57.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 929 | D | 26.2 | Very low | 26.6 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | | 130.4 | 132 | 97.8 | -89.9 | -36.2 | 0 | 0 | 0 | 118 | | |
| 930 | H | 25.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | 54.9 | 105.6 | 143.9 | -70.2 | 59.5 | 0 | 0 | 0 | 119.2 | | |
| 931 | V | 28.7 | Very low | 26.9 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | | -178.4 | 131.9 | 104.6 | 148 | 0 | 0 | 0 | 0 | 111.3 | | |
| 932 | G | 28.4 | Very low | 27.1 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 114.7 | 4.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 933 | I | 26.6 | Very low | 27.1 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | trans | -135.9 | 68.3 | -179.4 | -36.7 | 177.4 | 0 | 0 | 0 | 112.9 | | |
| 934 | S | 24.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | trans | -97.2 | 126.3 | 179 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 935 | L | 26.5 | Very low | 27.7 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | -76 | 134 | 174.1 | -61.6 | 86 | 0 | 0 | 0 | 110.8 | | |
| 936 | T | 23.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -178.4 | 99.5 | 147.3 | 14.5 | 0 | 0 | 0 | 0 | 112 | | |
| 937 | S | 23 | Very low | 28.3 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 178.4 | 88 | 147.1 | 28.5 | 0 | 0 | 0 | 0 | 112.5 | T939 | S937-T939 PolarHBondContact O-N 3.41Š|
| 938 | L | 25.8 | Very low | 29.1 | Very low | 178 Ų | 178 | 130 Ų | 130 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | | | trans | 24.4 | 85.2 | 150.4 | -59.8 | 172.7 | 0 | 0 | 0 | 117.5 | | |
| 939 | T | 26.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | trans | -70.7 | 135.7 | 154.8 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | S937 S941 | S937-T939 PolarHBondContact O-N 3.41Å; T939-S941 VanDerWaalsContact C-N 3.32Å; T939-S941 PolarHBondContact O-N 3.46Å |
| 940 | P | 30.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -73.9 | 84.8 | 176 | 29.2 | -33.7 | 0 | 0 | 0 | 110.8 | H942 | P940-H942 PolarHBondContact O-N 3.08Š|
| 941 | S | 25.6 | Very low | 32.5 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | trans | -79.7 | 78.4 | -175.5 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | T939 | T939-S941 VanDerWaalsContact C-N 3.32Å; T939-S941 PolarHBondContact O-N 3.46Å |
| 942 | H | 32.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | 58 | 79.8 | 148.6 | -55.4 | 3.2 | 0 | 0 | 0 | 115.6 | P940 G944 | P940-H942 PolarHBondContact O-N 3.08Å; H942-G944 PolarHBondContact O-N 2.95Å |
| 943 | T | 29.5 | Very low | 35.2 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | | | trans | -71 | 57.9 | 164.4 | -36.2 | 0 | 0 | 0 | 0 | 111.2 | T945 S966 E968 | T943-T945 PolarHBondContact O-N 3.23Å; T943-S966 WeakPolarHBondContact CG2-OG 2.97Å; T943-E968 PolarHBondContact OG1-OE1 3.37Å |
| 944 | G | 31.1 | Very low | 36.7 | Very low | 48 Ų | 48 | 124.2 Ų | 124.2 | 50% | 0.495 | 70% | 0.703 | S | S | . | * | | | trans | -67.9 | 125.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H942 Y946 | H942-G944 PolarHBondContact O-N 2.95Å; G944-Y946 PolarHBondContact O-N 3.2Å |
| 945 | T | 33.9 | Very low | 38.4 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 60% | 0.595 | 69% | 0.69 | S | S | * | * | | | trans | -70.4 | 104.6 | 166.8 | -60.8 | 0 | 0 | 0 | 0 | 107.3 | T943 I947 I963 | T943-T945 PolarHBondContact O-N 3.23Å; T945-I947 VanDerWaalsContact C-N 3.31Å; T945-I947 PolarHBondContact O-N 3.36Å; T945-I963 HydrophobicContact CG2-CG2 4.27Å |
| 946 | Y | 31.4 | Very low | 39.7 | Very low | 211 Ų | 211 | 120.2 Ų | 120.2 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | | | trans | -65.3 | 92.2 | 174.3 | -70.8 | -84 | 0 | 0 | 0 | 109.6 | G944 L948 | G944-Y946 PolarHBondContact O-N 3.2Å; Y946-L948 PolarHBondContact O-N 2.75Å |
| 947 | I | 41.7 | Very low | 41.4 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | | | trans | -69.2 | 108.4 | 157.3 | -57.7 | 176.4 | 0 | 0 | 0 | 105 | T945 D949 | T945-I947 VanDerWaalsContact C-N 3.31Å; T945-I947 PolarHBondContact O-N 3.36Å; I947-D949 PolarHBondContact O-N 2.62Å |
| 948 | L | 43.3 | Very low | 42.4 | Very low | 133 Ų | 133 | 118 Ų | 118 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | | | trans | -64.3 | 125.2 | 165.2 | -70.4 | 171.5 | 0 | 0 | 0 | 107 | Y946 I950 | Y946-L948 PolarHBondContact O-N 2.75Å; L948-I950 HydrophobicContact CB-CD1 4.18Å; L948-I950 HydrophobicContact CB-CG1 4.07Å; L948-I950 WeakPolarHBondContact O-CG1 3.41Å; L948-I950 PolarHBondContact O-N 2.96Å; L948-I950 VanDerWaalsContact O-N 3.11Å |
| 949 | D | 48.8 | Very low | 43.7 | Very low | 172 Ų | 172 | 113.7 Ų | 113.7 | 92% | 0.92 | 65% | 0.65 | S | S | * | * | | | trans | -70.6 | 107.1 | 173.8 | -145.4 | 6.1 | 0 | 0 | 0 | 106.9 | I947 | I947-D949 PolarHBondContact O-N 2.62Š|
| 950 | I | 53.6 | Low | 44.8 | Very low | 62 Ų | 62 | 115.3 Ų | 115.3 | 32% | 0.318 | 65% | 0.653 | S | S | . | * | | | trans | -113.7 | 119 | -171.4 | -74.7 | 171.1 | 0 | 0 | 0 | 106.6 | L948 L954 I955 | L948-I950 HydrophobicContact CB-CD1 4.18Å; L948-I950 HydrophobicContact CB-CG1 4.07Å; L948-I950 WeakPolarHBondContact O-CG1 3.41Å; L948-I950 PolarHBondContact O-N 2.96Å; L948-I950 VanDerWaalsContact O-N 3.11Å; I950-L954 HydrophobicContact CG2-CB 3.56Å; I950-L954 HydrophobicContact CG2-CD1 3.94Å; I950-L954 HydrophobicContact CG2-CG 4.4Å; I950-I955 HydrophobicContact CG2-CG1 4.44Å |
| 951 | D | 47.5 | Very low | 45.6 | Very low | 119 Ų | 119 | 114 Ų | 114 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | | | trans | -48 | 142.6 | -178.8 | -66 | -54.2 | 0 | 0 | 0 | 112.2 | T953 L954 | D951-T953 WeakPolarHBondContact CB-OG1 3.47Å; D951-T953 PolarHBondContact O-N 3.45Å; D951-L954 PolarHBondContact O-N 3.48Å |
| 952 | D | 56.4 | Low | 46.5 | Very low | 140 Ų | 140 | 115.3 Ų | 115.3 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -49.5 | -28 | 176.5 | -71.5 | -45.3 | 0 | 0 | 0 | 113 | L954 I955 A956 | D952-L954 VanDerWaalsContact C-N 3.31Å; D952-L954 PolarHBondContact O-N 3.14Å; D952-I955 PolarHBondContact O-N 3.23Å; D952-A956 WeakPolarHBondContact O-CB 3.38Å; D952-A956 PolarHBondContact O-N 2.79Å |
| 953 | T | 57.7 | Low | 47 | Very low | 89 Ų | 89 | 113 Ų | 113 | 55% | 0.546 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.3 | -22.4 | 178 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | D951 Q957 | D951-T953 WeakPolarHBondContact CB-OG1 3.47Å; D951-T953 PolarHBondContact O-N 3.45Å; T953-Q957 WeakPolarHBondContact O-CG 3.28Å; T953-Q957 PolarHBondContact O-NE2 3.5Å |
| 954 | L | 57.5 | Low | 47.4 | Very low | 72 Ų | 72 | 115.2 Ų | 115.2 | 38% | 0.377 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -92.2 | -33.6 | 176.2 | -74.4 | 169.9 | 0 | 0 | 0 | 111.8 | I950 D951 D952 A956 Q957 | I950-L954 HydrophobicContact CG2-CB 3.56Å; I950-L954 HydrophobicContact CG2-CD1 3.94Å; I950-L954 HydrophobicContact CG2-CG 4.4Å; D951-L954 PolarHBondContact O-N 3.48Å; D952-L954 VanDerWaalsContact C-N 3.31Å; D952-L954 PolarHBondContact O-N 3.14Å; L954-A956 VanDerWaalsContact C-N 3.28Å; L954-A956 PolarHBondContact O-N 3.44Å; L954-Q957 PolarHBondContact O-N 3.21Å |
| 955 | I | 59.4 | Low | 47.6 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 56% | 0.564 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61 | -43 | 168.5 | -58.8 | 177.1 | 0 | 0 | 0 | 109.3 | I950 D952 Q957 G958 | I950-I955 HydrophobicContact CG2-CG1 4.44Å; D952-I955 PolarHBondContact O-N 3.23Å; I955-Q957 PolarHBondContact O-N 3.05Å; I955-Q957 VanDerWaalsContact O-N 3.08Å; I955-G958 PolarHBondContact O-N 3.47Å |
| 956 | A | 55.5 | Low | 47.5 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -8.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D952 L954 | D952-A956 WeakPolarHBondContact O-CB 3.38Å; D952-A956 PolarHBondContact O-N 2.79Å; L954-A956 VanDerWaalsContact C-N 3.28Å; L954-A956 PolarHBondContact O-N 3.44Å |
| 957 | Q | 58.5 | Low | 47.6 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 4.2 | 174.5 | -72.5 | 173.4 | 52.3 | 0 | 0 | 113.3 | T953 L954 I955 V959 | T953-Q957 WeakPolarHBondContact O-CG 3.28Å; T953-Q957 PolarHBondContact O-NE2 3.5Å; L954-Q957 PolarHBondContact O-N 3.21Å; I955-Q957 PolarHBondContact O-N 3.05Å; I955-Q957 VanDerWaalsContact O-N 3.08Å; Q957-V959 HydrophobicContact CB-CG2 4.47Å |
| 958 | G | 43.9 | Very low | 47.1 | Very low | 64 Ų | 64 | 120.6 Ų | 120.6 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77 | 20.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I955 L960 | I955-G958 PolarHBondContact O-N 3.47Å; G958-L960 PolarHBondContact O-N 3.36Å |
| 959 | V | 52.5 | Low | 46.6 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 53% | 0.527 | 65% | 0.654 | S | S | . | * | | | trans | -83.3 | 108.7 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | Q957 | Q957-V959 HydrophobicContact CB-CG2 4.47Š|
| 960 | L | 50.8 | Low | 45.7 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | | | trans | -70.3 | 138.5 | 179.3 | -70 | 170.6 | 0 | 0 | 0 | 112 | G958 V962 | G958-L960 PolarHBondContact O-N 3.36Å; L960-V962 PolarHBondContact O-N 2.69Å |
| 961 | P | 46 | Very low | 44.5 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | | | trans | -69.9 | 125.9 | 177.9 | 27.8 | -34 | 0 | 0 | 0 | 111.7 | I963 | P961-I963 PolarHBondContact O-N 3.31Š|
| 962 | V | 45.9 | Very low | 43.5 | Very low | 126 Ų | 126 | 121 Ų | 121 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | trans | -84 | 105.8 | -177.5 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | L960 I964 | L960-V962 PolarHBondContact O-N 2.69Å; V962-I964 HydrophobicContact CG1-CG1 4.14Å; V962-I964 PolarHBondContact O-N 2.91Å |
| 963 | I | 42.5 | Very low | 42.1 | Very low | 124 Ų | 124 | 119.5 Ų | 119.5 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | | | trans | -79.7 | 98 | 176.9 | -55.5 | 176.1 | 0 | 0 | 0 | 110 | T945 P961 R965 | T945-I963 HydrophobicContact CG2-CG2 4.27Å; P961-I963 PolarHBondContact O-N 3.31Å; I963-R965 HydrophobicContact CG2-CG 4.46Å; I963-R965 PolarHBondContact O-N 3.27Å |
| 964 | I | 37.2 | Very low | 40.7 | Very low | 143 Ų | 143 | 122 Ų | 122 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | trans | -81 | 108.8 | 173.3 | -55.8 | 178.8 | 0 | 0 | 0 | 109.3 | V962 | V962-I964 HydrophobicContact CG1-CG1 4.14Å; V962-I964 PolarHBondContact O-N 2.91Å |
| 965 | R | 35.5 | Very low | 39.3 | Very low | 220 Ų | 220 | 124.4 Ų | 124.4 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | | | trans | -87.8 | 119.4 | 169.7 | -71.7 | -179.5 | 174.4 | 164.2 | -2.2 | 110.3 | I963 H967 | I963-R965 HydrophobicContact CG2-CG 4.46Å; I963-R965 PolarHBondContact O-N 3.27Å; R965-H967 PolarHBondContact O-N 3.08Å |
| 966 | S | 32.6 | Very low | 37.9 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | | | trans | -70.3 | 110.7 | 169.1 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | T943 E968 | T943-S966 WeakPolarHBondContact CG2-OG 2.97Å; S966-E968 PolarHBondContact O-N 3.28Å |
| 967 | H | 33.1 | Very low | 36.8 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | | | trans | -86.7 | 95.4 | 178.7 | -144.9 | -69.9 | 0 | 0 | 0 | 109.5 | R965 T969 | R965-H967 PolarHBondContact O-N 3.08Å; H967-T969 VanDerWaalsContact C-N 3.3Å; H967-T969 PolarHBondContact O-N 2.93Å |
| 968 | E | 31.4 | Very low | 35.4 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | trans | -72.8 | 81.2 | -176.8 | -71.3 | -179.8 | -139.3 | 0 | 0 | 111.7 | T943 S966 | T943-E968 PolarHBondContact OG1-OE1 3.37Å; S966-E968 PolarHBondContact O-N 3.28Å |
| 969 | T | 31.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 64% | 0.644 | 75% | 0.752 | S | S | * | * | | | trans | -153.1 | 131 | 168.5 | -46.8 | 0 | 0 | 0 | 0 | 107.8 | H967 | H967-T969 VanDerWaalsContact C-N 3.3Å; H967-T969 PolarHBondContact O-N 2.93Å |
| 970 | L | 29.7 | Very low | 34 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 87.1 | 168.5 | -161.8 | -53.3 | 167.7 | 0 | 0 | 0 | 114 | | |
| 971 | A | 28.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | 69.6 | 50.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 972 | S | 26.2 | Very low | 32.1 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -81.3 | 144.2 | 134.9 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 973 | S | 27.3 | Very low | 31.4 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 52 | 84.5 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 118 | | |
| 974 | V | 29.1 | Very low | 30.6 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | | -139.3 | 128.3 | 127.8 | 179.7 | 0 | 0 | 0 | 0 | 108 | | |
| 975 | T | 27.6 | Very low | 30.1 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -138 | 149.4 | 168 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 976 | T | 29.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | 58.7 | 113.6 | -180 | 59.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 977 | I | 33.8 | Very low | 29.3 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | | -170.2 | 127.7 | 114.3 | -91 | 152.8 | 0 | 0 | 0 | 107.4 | | |
| 978 | D | 28.9 | Very low | 29.1 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -77.6 | 146 | 170.3 | -69.4 | -77.9 | 0 | 0 | 0 | 111.6 | | |
| 979 | S | 33.4 | Very low | 28.9 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 152.7 | 157.6 | 134.7 | 54 | 0 | 0 | 0 | 0 | 113.4 | | |
| 980 | G | 32.2 | Very low | 28.6 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 100.7 | 96.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 981 | L | 29.2 | Very low | 28.4 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -69.5 | 173.2 | 146 | -60.2 | 128.3 | 0 | 0 | 0 | 107.9 | | |
| 982 | N | 28.8 | Very low | 28.4 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | cis | -171.1 | -171.8 | 29 | -158.7 | 1.2 | 0 | 0 | 0 | 111.6 | | |
| 983 | I | 31.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | | | trans | 85.9 | 95.4 | 154.2 | -62.3 | 150.4 | 0 | 0 | 0 | 117.8 | | |
| 984 | E | 25 | Very low | 28.5 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -6.9 | 146.9 | 133.5 | -54.1 | 169.8 | 107.8 | 0 | 0 | 119.1 | | |
| 985 | S | 26.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 149.7 | 154.1 | 105.3 | -162.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 986 | A | 27.2 | Very low | 28.3 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | | | trans | 68.4 | 91.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 987 | M | 25.5 | Very low | 28.2 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | | 81.4 | 150.1 | 113.8 | -76.1 | -175.5 | 165.4 | 0 | 0 | 124.3 | | |
| 988 | N | 26.9 | Very low | 27.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 72.4 | 97.1 | 151.9 | -71 | -0.5 | 0 | 0 | 0 | 121.8 | | |
| 989 | T | 27.1 | Very low | 28.1 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | | 25.8 | 100.1 | 116.6 | 57.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 990 | H | 27.2 | Very low | 27.6 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | | | | -169.7 | 152.5 | 98.9 | -107.5 | -81 | 0 | 0 | 0 | 110.3 | | |
| 991 | G | 24.7 | Very low | 27.4 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | -76.4 | 147.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 992 | V | 28.6 | Very low | 27.3 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | trans | -135.3 | 140.3 | 170.3 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | V994 | V992-V994 HydrophobicContact CG1-CG2 4.1Š|
| 993 | I | 25.9 | Very low | 27.6 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | -88.8 | 116.3 | 179.4 | -60.2 | 159.5 | 0 | 0 | 0 | 109 | | |
| 994 | V | 28.9 | Very low | 27.4 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -153 | 142.4 | 172 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | V992 | V992-V994 HydrophobicContact CG1-CG2 4.1Š|
| 995 | E | 27.4 | Very low | 27.7 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | -164.4 | 167.5 | -34.5 | -168.9 | 160 | -145.2 | 0 | 0 | 107.1 | I997 | E995-I997 PolarHBondContact O-N 2.83Š|
| 996 | N | 25.6 | Very low | 27.7 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -66.1 | 103.9 | 176.4 | -79.5 | -56.7 | 0 | 0 | 0 | 112.5 | T998 | N996-T998 PolarHBondContact O-N 3.1Š|
| 997 | I | 29.2 | Very low | 27.7 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -94.2 | 79.7 | 165.3 | -44.7 | -179.2 | 0 | 0 | 0 | 109.4 | E995 P999 | E995-I997 PolarHBondContact O-N 2.83Å; I997-P999 WeakPolarHBondContact O-CD 3.45Å |
| 998 | T | 25.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | | | trans | -82.6 | 111.4 | 171.9 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | N996 R1000 | N996-T998 PolarHBondContact O-N 3.1Å; T998-R1000 HydrophobicContact CG2-CB 4.04Å; T998-R1000 PolarHBondContact O-N 3.01Å |
| 999 | P | 33.4 | Very low | 27.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | trans | -73.7 | 72.5 | 165.7 | 32.7 | -35.3 | 0 | 0 | 0 | 109.1 | I997 G1001 | I997-P999 WeakPolarHBondContact O-CD 3.45Å; P999-G1001 PolarHBondContact O-N 3.36Å |
| 1000 | R | 24.3 | Very low | 28.4 | Very low | 238 Ų | 238 | 138.4 Ų | 138.4 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | | | trans | -75.1 | 65 | 174.2 | -166.6 | 179.9 | 178.5 | -172.3 | -0.8 | 109.1 | T998 | T998-R1000 HydrophobicContact CG2-CB 4.04Å; T998-R1000 PolarHBondContact O-N 3.01Å |
| 1001 | G | 27.1 | Very low | 28.9 | Very low | 61 Ų | 61 | 136.5 Ų | 136.5 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | trans | -133.3 | 74.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P999 P1003 | P999-G1001 PolarHBondContact O-N 3.36Å; G1001-P1003 WeakPolarHBondContact O-CD 3.02Å |
| 1002 | S | 27.9 | Very low | 29.2 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | -64.1 | 133.6 | 155.9 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | I1004 | S1002-I1004 WeakPolarHBondContact O-CD1 3.39Å; S1002-I1004 VanDerWaalsContact O-CG1 3.26Å; S1002-I1004 WeakPolarHBondContact O-CG1 3.49Å; S1002-I1004 PolarHBondContact O-N 3.04Å |
| 1003 | P | 34.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | | | trans | -72.6 | 85.7 | 143 | 30.1 | -27.4 | 0 | 0 | 0 | 105.9 | G1001 | G1001-P1003 WeakPolarHBondContact O-CD 3.02Š|
| 1004 | I | 26.1 | Very low | 29.4 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | | | | 46.4 | 92 | 89 | -67.9 | 159.9 | 0 | 0 | 0 | 109.6 | S1002 K1006 | S1002-I1004 WeakPolarHBondContact O-CD1 3.39Å; S1002-I1004 VanDerWaalsContact O-CG1 3.26Å; S1002-I1004 WeakPolarHBondContact O-CG1 3.49Å; S1002-I1004 PolarHBondContact O-N 3.04Å; I1004-K1006 PolarHBondContact O-N 3.3Å; I1004-K1006 VanDerWaalsContact O-N 3.12Å |
| 1005 | S | 31.4 | Very low | 29.4 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | | | trans | -62.6 | 105.6 | 168.8 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1006 | K | 26.3 | Very low | 29.7 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 61% | 0.613 | 70% | 0.704 | S | S | * | * | | | trans | -136.7 | 124.1 | 159.6 | -88 | -167 | 165.2 | -74.4 | 0 | 106.8 | I1004 | I1004-K1006 PolarHBondContact O-N 3.3Å; I1004-K1006 VanDerWaalsContact O-N 3.12Å |
| 1007 | E | 27.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | | | | 63.5 | 112.7 | 103 | -63.8 | 159.4 | -160.6 | 0 | 0 | 111 | | |
| 1008 | T | 28.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | | | cis | -157.3 | 162.9 | 10.5 | -24.9 | 0 | 0 | 0 | 0 | 112 | W1010 | T1008-W1010 PolarHBondContact O-N 2.93Š|
| 1009 | L | 28.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | | | trans | -15.9 | 113.8 | 158.8 | -75.4 | 133.3 | 0 | 0 | 0 | 115.8 | H1011 | L1009-H1011 HydrophobicContact CD2-CB 3.95Š|
| 1010 | W | 37.6 | Very low | 30.4 | Very low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.871 | 70% | 0.697 | S | S | * | * | | | trans | -114.7 | 52.3 | 142.4 | -69.8 | 109.9 | 0 | 0 | 0 | 110.2 | T1008 I1012 | T1008-W1010 PolarHBondContact O-N 2.93Å; W1010-I1012 HydrophobicContact CE3-CD1 4.17Å; W1010-I1012 HydrophobicContact CZ3-CD1 3.95Å; W1010-I1012 PolarHBondContact O-N 3.17Å |
| 1011 | H | 38.3 | Very low | 30.7 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | | | | -54.8 | 125.3 | 126.9 | -94.2 | -110.6 | 0 | 0 | 0 | 105.9 | L1009 | L1009-H1011 HydrophobicContact CD2-CB 3.95Š|
| 1012 | I | 30.8 | Very low | 30.9 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 68% | 0.677 | 68% | 0.681 | S | S | * | * | | | trans | -165.4 | 145.3 | 134.9 | -101.5 | 145.4 | 0 | 0 | 0 | 110.5 | W1010 | W1010-I1012 HydrophobicContact CE3-CD1 4.17Å; W1010-I1012 HydrophobicContact CZ3-CD1 3.95Å; W1010-I1012 PolarHBondContact O-N 3.17Å |
| 1013 | V | 31.2 | Very low | 31.2 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 54% | 0.539 | 68% | 0.683 | S | S | . | * | | | cis | -167.3 | -157 | -35.5 | 83.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1014 | E | 28 | Very low | 31.2 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 55% | 0.547 | 67% | 0.674 | S | S | . | * | | | trans | 69.4 | 95.2 | 161.5 | -87.5 | 129.2 | -140.2 | 0 | 0 | 115 | P1349 | E1014-P1349 HydrophobicContact CB-CG 3.8Š|
| 1015 | N | 28.7 | Very low | 31.6 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | | | | 72.8 | 110.5 | 73.2 | -64.5 | -7.3 | 0 | 0 | 0 | 110.6 | | |
| 1016 | D | 32.9 | Very low | 31.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | | | | -119.3 | 131.4 | 121.1 | -106.3 | -28.5 | 0 | 0 | 0 | 108.7 | N1350 | D1016-N1350 VanDerWaalsContact CG-ND2 3.33Å; D1016-N1350 PolarHBondContact OD1-ND2 3.43Å; D1016-N1350 PolarHBondContact OD2-ND2 3.38Å; D1016-N1350 PolarHBondContact OD2-OD1 3.49Å |
| 1017 | N | 28.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 56% | 0.556 | 68% | 0.676 | S | S | * | * | | | trans | -75.9 | 162.2 | 173.8 | -38.9 | -85.2 | 0 | 0 | 0 | 108.1 | | |
| 1018 | D | 37.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 132 Ų | 132 | 90% | 0.904 | 68% | 0.676 | S | S | * | * | | | | -146.8 | 122.4 | 117.1 | -109.9 | -23.8 | 0 | 0 | 0 | 109.3 | | |
| 1019 | D | 31 | Very low | 32 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | | | trans | -69.2 | 140.6 | 167.7 | -69.7 | -77.1 | 0 | 0 | 0 | 109.9 | | |
| 1020 | E | 32.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | | | | 175.6 | 108.3 | 124 | -92.1 | -93.8 | 149.1 | 0 | 0 | 106.6 | R1022 | E1020-R1022 IonicContact OE1-NH1 2.62Å; E1020-R1022 PolarHBondContact OE1-NH1 3.17Å; E1020-R1022 VanDerWaalsContact OE1-NH1 3.09Å; E1020-R1022 IonicContact OE2-NH1 2.75Å; E1020-R1022 PolarHBondContact OE2-NH1 2.82Å |
| 1021 | S | 28.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 129 Ų | 129 | 52% | 0.517 | 68% | 0.681 | S | S | . | * | | | | 104.3 | 167.3 | 63.5 | 91.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1022 | R | 31.8 | Very low | 31.5 | Very low | 182 Ų | 182 | 127.2 Ų | 127.2 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | | | trans | 42.4 | 95.4 | 152.3 | -64.4 | 172.9 | -175.4 | 104.4 | 1.3 | 117.5 | E1020 | E1020-R1022 IonicContact OE1-NH1 2.62Å; E1020-R1022 PolarHBondContact OE1-NH1 3.17Å; E1020-R1022 VanDerWaalsContact OE1-NH1 3.09Å; E1020-R1022 IonicContact OE2-NH1 2.75Å; E1020-R1022 PolarHBondContact OE2-NH1 2.82Å |
| 1023 | D | 35.3 | Very low | 31.4 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | | | | 158.9 | 149.5 | 93.6 | -89.9 | -10.4 | 0 | 0 | 0 | 112.7 | | |
| 1024 | N | 34.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | | | cis | -165.2 | 169.8 | -31.9 | -141.9 | -35.3 | 0 | 0 | 0 | 108.9 | | |
| 1025 | N | 34.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | | | trans | 59.9 | 109 | 160.5 | -54.6 | -40 | 0 | 0 | 0 | 118.1 | | |
| 1026 | D | 31.4 | Very low | 31.8 | Very low | 138 Ų | 138 | 131 Ų | 131 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | | 38.7 | 136.7 | 103.5 | -61.8 | -23.2 | 0 | 0 | 0 | 119.4 | | |
| 1027 | L | 31.2 | Very low | 31.7 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | | -170.3 | 132.5 | 88.3 | -90.8 | 168.7 | 0 | 0 | 0 | 113.6 | | |
| 1028 | V | 33.9 | Very low | 31.8 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | | | trans | 76.8 | 106.4 | 141.6 | 176 | 0 | 0 | 0 | 0 | 119 | V1030 | V1028-V1030 HydrophobicContact CG1-CG2 4.08Š|
| 1029 | L | 25.9 | Very low | 31.4 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -55.7 | 141.2 | 148.7 | -66.6 | 63.3 | 0 | 0 | 0 | 110.7 | | |
| 1030 | V | 34.7 | Very low | 31.4 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | -131.5 | 108.6 | 140.8 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | V1028 | V1028-V1030 HydrophobicContact CG1-CG2 4.08Š|
| 1031 | T | 27.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | trans | -85.4 | 143.6 | 165.3 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1032 | S | 31.7 | Very low | 31.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -153.7 | 137.5 | 153.2 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1033 | N | 27.9 | Very low | 31.4 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | trans | -95.7 | 148.5 | 175.9 | -49.8 | -67.2 | 0 | 0 | 0 | 108.9 | | |
| 1034 | Q | 35 | Very low | 31.2 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | | | trans | -164.9 | 130.6 | 135.1 | -109.9 | 147 | 106.3 | 0 | 0 | 116.1 | | |
| 1035 | S | 29.7 | Very low | 31.1 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -25.2 | 137.1 | 152.6 | -179.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1036 | G | 33.4 | Very low | 30.9 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -137.9 | -12 | -175.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1037 | R | 29.8 | Very low | 30.8 | Very low | 235 Ų | 235 | 139.8 Ų | 139.8 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | 60.7 | 162 | 178.6 | -80.6 | -173.7 | 176.2 | -132.8 | -1.7 | 117.4 | | |
| 1038 | P | 31.2 | Very low | 31 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | trans | -98.3 | 157 | -169.9 | 37.6 | -34.8 | 0 | 0 | 0 | 114 | | |
| 1039 | Y | 30.1 | Very low | 30.7 | Very low | 233 Ų | 233 | 143.5 Ų | 143.5 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | | | trans | -104.8 | 121.4 | 157.9 | -86 | -83.6 | 0 | 0 | 0 | 110.3 | | |
| 1040 | N | 29 | Very low | 30.8 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -98.6 | 124.1 | 177.9 | -179.6 | 20.8 | 0 | 0 | 0 | 109.1 | S1042 | N1040-S1042 PolarHBondContact OD1-OG 3.41Š|
| 1041 | V | 32 | Very low | 30.7 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | | | trans | -132.4 | 92.1 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | F1043 | V1041-F1043 HydrophobicContact CG1-CD2 4.08Å; V1041-F1043 HydrophobicContact CG1-CE2 4.08Å |
| 1042 | S | 27.6 | Very low | 30.7 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | -75.9 | 139.1 | 168.6 | -54.9 | 0 | 0 | 0 | 0 | 110 | N1040 | N1040-S1042 PolarHBondContact OD1-OG 3.41Š|
| 1043 | F | 33.2 | Very low | 30.5 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | | | trans | -136.4 | 106.6 | 151.6 | -87.6 | -76.2 | 0 | 0 | 0 | 109.3 | V1041 | V1041-F1043 HydrophobicContact CG1-CD2 4.08Å; V1041-F1043 HydrophobicContact CG1-CE2 4.08Å |
| 1044 | D | 33 | Very low | 30.5 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | 56.8 | 70.6 | 139.1 | -51.7 | -19.5 | 0 | 0 | 0 | 119.3 | C1046 | D1044-C1046 PolarHBondContact O-N 3.47Š|
| 1045 | N | 30.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | | 6.5 | 95.9 | 121.3 | -173.6 | 85.1 | 0 | 0 | 0 | 116.4 | | |
| 1046 | C | 29.8 | Very low | 30 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | trans | -133.2 | 61.6 | 168.1 | -81.9 | 0 | 0 | 0 | 0 | 111.7 | D1044 N1048 | D1044-C1046 PolarHBondContact O-N 3.47Å; C1046-N1048 PolarHBondContact O-N 3.31Å |
| 1047 | N | 30.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | -71 | 110.9 | 158.6 | -73.3 | 6.9 | 0 | 0 | 0 | 108.1 | | |
| 1048 | N | 34.2 | Very low | 29.9 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | | | trans | -163 | 157.2 | 160.7 | -105.5 | -16 | 0 | 0 | 0 | 110.6 | C1046 L1050 | C1046-N1048 PolarHBondContact O-N 3.31Å; N1048-L1050 PolarHBondContact O-N 3.37Å |
| 1049 | E | 28 | Very low | 29.9 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | -69.5 | 109.6 | -175 | -64.6 | 166.5 | 103.8 | 0 | 0 | 112.7 | | |
| 1050 | L | 28.7 | Very low | 30.2 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | | | trans | -120.6 | 115.4 | 145.1 | -80.3 | 152.6 | 0 | 0 | 0 | 104.8 | N1048 G1052 | N1048-L1050 PolarHBondContact O-N 3.37Å; L1050-G1052 PolarHBondContact O-N 3.17Å |
| 1051 | S | 31.5 | Very low | 30.5 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | | | | 42.7 | 18 | 51.2 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | Q1053 | S1051-Q1053 VanDerWaalsContact C-N 3.35Å; S1051-Q1053 PolarHBondContact O-N 3.38Å |
| 1052 | G | 27.8 | Very low | 30.7 | Very low | 47 Ų | 47 | 136.2 Ų | 136.2 | 49% | 0.485 | 72% | 0.722 | S | S | . | * | | | trans | -71.7 | 84.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1050 F1054 | L1050-G1052 PolarHBondContact O-N 3.17Å; G1052-F1054 VanDerWaalsContact C-N 3.35Å; G1052-F1054 PolarHBondContact O-N 3.02Å |
| 1053 | Q | 27.5 | Very low | 31 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | | | trans | -56.4 | 96.5 | 162.6 | -86.5 | -177.3 | -36.5 | 0 | 0 | 109.8 | S1051 T1055 | S1051-Q1053 VanDerWaalsContact C-N 3.35Å; S1051-Q1053 PolarHBondContact O-N 3.38Å; Q1053-T1055 PolarHBondContact O-N 3.1Å |
| 1054 | F | 27.6 | Very low | 31.2 | Very low | 206 Ų | 206 | 138.2 Ų | 138.2 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | | | trans | -82.3 | 41.1 | 160.3 | -87.8 | -78.3 | 0 | 0 | 0 | 111.5 | G1052 M1056 | G1052-F1054 VanDerWaalsContact C-N 3.35Å; G1052-F1054 PolarHBondContact O-N 3.02Å; F1054-M1056 PolarHBondContact O-N 3.33Å |
| 1055 | T | 27.5 | Very low | 31.2 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 53% | 0.528 | 73% | 0.728 | S | S | . | * | | | trans | -63.6 | 108.4 | 145.4 | 44.3 | 0 | 0 | 0 | 0 | 107.6 | Q1053 | Q1053-T1055 PolarHBondContact O-N 3.1Š|
| 1056 | M | 27.1 | Very low | 31.5 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | trans | -156.7 | 80.3 | 156.2 | -105 | -70.8 | -79 | 0 | 0 | 108 | F1054 S1058 | F1054-M1056 PolarHBondContact O-N 3.33Å; M1056-S1058 VanDerWaalsContact C-N 3.29Å; M1056-S1058 WeakPolarHBondContact O-CB 3.41Å; M1056-S1058 PolarHBondContact O-N 2.85Å |
| 1057 | E | 32.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 58% | 0.579 | 73% | 0.725 | S | S | * | * | | | | 21.4 | 68.7 | 119 | -81.6 | 65.2 | -156.7 | 0 | 0 | 114.2 | A1061 | E1057-A1061 HydrophobicContact CB-CB 4Š|
| 1058 | S | 29.9 | Very low | 31.8 | Very low | 86 Ų | 86 | 144 Ų | 144 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -147.1 | -0.3 | 178.1 | -77.4 | 0 | 0 | 0 | 0 | 115.6 | M1056 | M1056-S1058 VanDerWaalsContact C-N 3.29Å; M1056-S1058 WeakPolarHBondContact O-CB 3.41Å; M1056-S1058 PolarHBondContact O-N 2.85Å |
| 1059 | L | 31.2 | Very low | 31.9 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 97% | 0.974 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -133.8 | 14 | 152.5 | -77.9 | -176.8 | 0 | 0 | 0 | 113.4 | | |
| 1060 | R | 35.4 | Very low | 32 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -131.9 | 42.7 | 168.1 | -160.5 | -178.5 | 178.8 | 167.3 | 1.7 | 110.6 | | |
| 1061 | A | 35.3 | Very low | 32.2 | Very low | 56 Ų | 56 | 138.9 Ų | 138.9 | 46% | 0.463 | 72% | 0.721 | S | S | . | * | | | trans | -141.9 | 31 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1057 | E1057-A1061 HydrophobicContact CB-CB 4Š|
| 1062 | E | 35.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 73% | 0.729 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -107.1 | 121.3 | 145.1 | -79.4 | -158.6 | 148.5 | 0 | 0 | 107.3 | | |
| 1063 | F | 34.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 73.3 | 46.9 | 176.4 | -61.3 | -80.3 | 0 | 0 | 0 | 118.9 | A534 | A534-F1063 HydrophobicContact CB-CD1 4.38Å; A534-F1063 HydrophobicContact CB-CD2 3.86Å; A534-F1063 HydrophobicContact CB-CE1 3.93Å; A534-F1063 HydrophobicContact CB-CE2 3.36Å; A534-F1063 HydrophobicContact CB-CG 4.36Å; A534-F1063 HydrophobicContact CB-CZ 3.4Å; A534-F1063 VanDerWaalsContact CB-CZ 3.4Å |
| 1064 | E | 37.9 | Very low | 32.6 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -131.1 | 136.2 | 136.3 | -105.3 | 149.4 | -176.1 | 0 | 0 | 109 | | |
| 1065 | D | 33.2 | Very low | 32.8 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | | | trans | 38.9 | 78.7 | 173.5 | -69.6 | 9.3 | 0 | 0 | 0 | 121.2 | | |
| 1066 | T | 35.4 | Very low | 32.9 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | trans | -86.4 | 126.7 | 142.2 | -49.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1067 | Y | 34.8 | Very low | 32.9 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | 67.5 | 104.9 | -171.6 | -59.1 | -72.6 | 0 | 0 | 0 | 112.1 | | |
| 1068 | K | 33.2 | Very low | 32.7 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | cis | 50.3 | 136.2 | 39.4 | -88.2 | -173.3 | 179.9 | -179.4 | 0 | 113.3 | | |
| 1069 | S | 36.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | 62.7 | 92.9 | -170.5 | 50 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1070 | L | 29.7 | Very low | 32.4 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | | | | 36.9 | 138.3 | 112.8 | -59.3 | 173 | 0 | 0 | 0 | 118.1 | | |
| 1071 | P | 32.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | cis | -127.9 | 165.5 | 33.2 | 40.9 | -28.7 | 0 | 0 | 0 | 116.5 | | |
| 1072 | S | 28.1 | Very low | 32 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | | | trans | -66.1 | 150.5 | 170.5 | -34.6 | 0 | 0 | 0 | 0 | 112.6 | N1074 | S1072-N1074 PolarHBondContact O-N 2.97Š|
| 1073 | P | 34.5 | Very low | 31.9 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -74.5 | 74 | 153.4 | -10.1 | 27.9 | 0 | 0 | 0 | 110 | | |
| 1074 | N | 32.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | | | trans | 51.7 | 97.2 | 161.6 | -53.8 | -16 | 0 | 0 | 0 | 116.6 | S1072 F1076 | S1072-N1074 PolarHBondContact O-N 2.97Å; N1074-F1076 VanDerWaalsContact C-N 3.35Å; N1074-F1076 VanDerWaalsContact CA-N 3.29Å; N1074-F1076 HydrophobicContact CB-CB 4.06Å |
| 1075 | Q | 30.9 | Very low | 31.6 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | | -60.9 | 93.1 | 81.8 | -72.7 | -169.9 | 8.2 | 0 | 0 | 113.7 | | |
| 1076 | F | 28.6 | Very low | 31.3 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | trans | -155.8 | 82.4 | 161.9 | -114.5 | -71.4 | 0 | 0 | 0 | 110.5 | N1074 G1078 | N1074-F1076 VanDerWaalsContact C-N 3.35Å; N1074-F1076 VanDerWaalsContact CA-N 3.29Å; N1074-F1076 HydrophobicContact CB-CB 4.06Å; F1076-G1078 PolarHBondContact O-N 2.81Å; F1076-G1078 VanDerWaalsContact O-N 3.11Å |
| 1077 | L | 28.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | | | | 53.1 | 46.8 | 128.7 | -148.6 | 69.6 | 0 | 0 | 0 | 118.4 | | |
| 1078 | G | 27.1 | Very low | 31.1 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | | | trans | -106.2 | 82.4 | 137.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | F1076 | F1076-G1078 PolarHBondContact O-N 2.81Å; F1076-G1078 VanDerWaalsContact O-N 3.11Å |
| 1079 | G | 28.1 | Very low | 31 | Very low | 51 Ų | 51 | 120.3 Ų | 120.3 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | | | cis | 94.4 | 123.6 | 14.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1080 | A | 28.3 | Very low | 30.8 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | | | trans | 65.8 | 115.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1081 | D | 30.3 | Very low | 31 | Very low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | | | | 51.5 | 137 | 110.3 | -41.8 | -26.1 | 0 | 0 | 0 | 118.6 | | |
| 1082 | S | 32.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | | | cis | -166.8 | -161.1 | -6.7 | 39.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1083 | S | 33 | Very low | 31.3 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | | | | 12.4 | 133.8 | 96.7 | 103.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1084 | D | 31.2 | Very low | 31.2 | Very low | 127 Ų | 127 | 120 Ų | 120 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | | | cis | -143.1 | 140.4 | 21.4 | -88.3 | -68.6 | 0 | 0 | 0 | 114.1 | S1086 | D1084-S1086 PolarHBondContact O-N 3.12Š|
| 1085 | N | 33.4 | Very low | 31 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | | | | 36.2 | 54.7 | 105.7 | -133.6 | 3.4 | 0 | 0 | 0 | 118.4 | M1087 | N1085-M1087 WeakPolarHBondContact O-CB 3.48Š|
| 1086 | S | 27.1 | Very low | 31 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | | | trans | -85.8 | 111.8 | 150.2 | 148.1 | 0 | 0 | 0 | 0 | 107.9 | D1084 N1088 | D1084-S1086 PolarHBondContact O-N 3.12Å; S1086-N1088 WeakPolarHBondContact CA-O 3.28Å; S1086-N1088 WeakPolarHBondContact CB-O 3.42Å; S1086-N1088 PolarHBondContact OG-N 3.21Å; S1086-N1088 PolarHBondContact OG-O 2.9Å |
| 1087 | M | 33.3 | Very low | 31 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | S | Bend | cis | 48.2 | 45.2 | 5.5 | -131.6 | -62.1 | -71.6 | 0 | 0 | 115.5 | N1085 | N1085-M1087 WeakPolarHBondContact O-CB 3.48Š|
| 1088 | N | 32.9 | Very low | 31 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 60% | 0.599 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 69.8 | 153.5 | -176.2 | -42 | -75.6 | 0 | 0 | 0 | 114.7 | S1086 | S1086-N1088 WeakPolarHBondContact CA-O 3.28Å; S1086-N1088 WeakPolarHBondContact CB-O 3.42Å; S1086-N1088 PolarHBondContact OG-N 3.21Å; S1086-N1088 PolarHBondContact OG-O 2.9Å |
| 1089 | I | 31.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | trans | 72.9 | 127.2 | 150.2 | -74.1 | 158 | 0 | 0 | 0 | 115.2 | | |
| 1090 | V | 31.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | | | cis | -165.7 | -169.6 | -10.5 | 68.8 | 0 | 0 | 0 | 0 | 109.1 | S1092 | V1090-S1092 PolarHBondContact O-N 3.08Š|
| 1091 | E | 35.6 | Very low | 31.7 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -9.1 | 118.2 | 147.5 | -65.2 | 150.4 | -167.1 | 0 | 0 | 115.2 | | |
| 1092 | S | 34.2 | Very low | 31.8 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | 90.5 | 141.1 | 94.6 | -61.2 | 0 | 0 | 0 | 0 | 115.8 | V1090 | V1090-S1092 PolarHBondContact O-N 3.08Š|
| 1093 | S | 33.3 | Very low | 32.1 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | 38.2 | 116.1 | 146.3 | 61.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1094 | T | 31 | Very low | 32.2 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | | -171.4 | 147.6 | 119.3 | 19.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1095 | L | 30 | Very low | 33.1 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | cis | 69.6 | 62.7 | 16.6 | -75.1 | -178.9 | 0 | 0 | 0 | 117.5 | | |
| 1096 | Q | 29.8 | Very low | 33.2 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -144.3 | 146.2 | 145 | -61.1 | -168.1 | 12.4 | 0 | 0 | 107.7 | | |
| 1097 | S | 29 | Very low | 33.7 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | cis | -140.1 | 154.1 | -7.6 | 67.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1098 | E | 28.2 | Very low | 34 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | | -140.9 | 126.8 | 79.5 | -176.6 | 177.9 | -132.7 | 0 | 0 | 110.8 | | |
| 1099 | S | 28.7 | Very low | 34.1 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -116.4 | 118.5 | 179.7 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1100 | R | 35.3 | Very low | 34 | Very low | 243 Ų | 243 | 150 Ų | 150 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | trans | -170.1 | 77.4 | 158.1 | -108 | 156.9 | -162.8 | -133 | 3 | 114.3 | | |
| 1101 | K | 33.7 | Very low | 33.9 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | S | Bend | | 177.9 | 67.3 | 128.6 | -95.1 | 166 | -178.1 | 179.4 | 0 | 115.2 | | |
| 1102 | S | 32.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | 42.8 | 82.3 | 135.1 | -161.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1103 | Q | 37.9 | Very low | 33.2 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -142.7 | 121.2 | 149.9 | -62.6 | -170.3 | 5.6 | 0 | 0 | 106.4 | | |
| 1104 | M | 36.4 | Very low | 33.3 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | | 80.4 | 83.8 | 63.6 | -169.4 | 163 | 143.2 | 0 | 0 | 115.2 | | |
| 1105 | K | 50.2 | Low | 33.4 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 63 | 84.7 | 137.6 | -158.5 | 169.8 | -173.4 | 174.6 | 0 | 118.6 | | |
| 1106 | T | 34.9 | Very low | 33.5 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -47.6 | 140.5 | 142.9 | -22.6 | 0 | 0 | 0 | 0 | 111 | | |
| 1107 | M | 38.3 | Very low | 33.8 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | | | trans | 176.8 | 158.5 | 133.8 | -107.1 | -173.3 | -64.4 | 0 | 0 | 113.6 | | |
| 1108 | N | 39 | Very low | 34.1 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | 79 | 146.7 | 150.6 | -68.8 | -10 | 0 | 0 | 0 | 121.2 | | |
| 1109 | A | 35.7 | Very low | 34.7 | Very low | 84 Ų | 84 | 150 Ų | 150 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | 77 | 137.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1110 | H | 27.7 | Very low | 34.9 | Very low | 184 Ų | 184 | 150.3 Ų | 150.3 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | cis | 61.9 | 145.1 | 42.8 | -71.2 | -68.9 | 0 | 0 | 0 | 113.2 | | |
| 1111 | P | 31.1 | Very low | 35 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | cis | -137.5 | -170.3 | -18.9 | 37.6 | -17.5 | 0 | 0 | 0 | 112.8 | | |
| 1112 | V | 26.4 | Very low | 34.9 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | 37.9 | 141.5 | 130.1 | 168 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1113 | Q | 28.8 | Very low | 34.7 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | 83.9 | 133.9 | 178 | -67.7 | 155.8 | 24.9 | 0 | 0 | 114.9 | | |
| 1114 | G | 33.7 | Very low | 34.4 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | | | cis | 138.1 | 166.3 | -12 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1115 | K | 33.9 | Very low | 34 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | | | trans | 69.5 | 149.7 | 174.5 | -57.3 | 179.8 | 154.6 | -77 | 0 | 115.1 | | |
| 1116 | E | 33 | Very low | 32.9 | Very low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | | | cis | -165 | 163.8 | -21.5 | -113.5 | 147.9 | -167.8 | 0 | 0 | 107.7 | | |
| 1117 | S | 35.6 | Very low | 32.6 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | 67 | 140 | 169 | -71.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1118 | N | 34.4 | Very low | 32.2 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | cis | -155.4 | 131.3 | 0.8 | -103.2 | -36 | 0 | 0 | 0 | 111.1 | | |
| 1119 | R | 41.4 | Very low | 31.8 | Very low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | | | trans | 61.8 | 141.6 | 155.3 | -60.8 | -179.7 | -179.4 | -170.7 | -1.8 | 118.3 | | |
| 1120 | T | 33.5 | Very low | 31.5 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | | | cis | -165.6 | 124.9 | -7.3 | -93.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1121 | I | 36.5 | Very low | 31.6 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | 74.9 | 149.7 | 151.8 | -73.2 | 174.9 | 0 | 0 | 0 | 118.7 | | |
| 1122 | P | 32.2 | Very low | 31.8 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | trans | -100.5 | 174.2 | -144.7 | 40.5 | -34.9 | 0 | 0 | 0 | 114.9 | | |
| 1123 | S | 27.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | cis | 75.7 | 161 | 32 | -163.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1124 | V | 31.9 | Very low | 32.3 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | | | trans | 72.2 | 108.5 | -172.6 | -167.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1125 | N | 27.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | | | cis | 89.9 | 125.8 | 15.2 | -156.9 | 36.7 | 0 | 0 | 0 | 117.1 | | |
| 1126 | T | 27.8 | Very low | 32.2 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | 61.5 | 157.7 | 159.4 | 36.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1127 | S | 28.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 138 Ų | 138 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | | | cis | -166.4 | 149.1 | 0.7 | 32.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1128 | N | 28.7 | Very low | 32.4 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | | | trans | 63.8 | 176.5 | 142.3 | -57.7 | 3 | 0 | 0 | 0 | 121.4 | | |
| 1129 | I | 32 | Very low | 32.4 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | | | trans | 74.6 | 78.3 | 175.9 | -50.1 | 177.5 | 0 | 0 | 0 | 113.6 | | |
| 1130 | T | 29.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | | | | 84 | 125.4 | 73.8 | 59.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1131 | L | 29.8 | Very low | 32.2 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | | | trans | 59.8 | 107.4 | 153.6 | -60.3 | 168.4 | 0 | 0 | 0 | 119.1 | | |
| 1132 | Q | 33.5 | Very low | 31.9 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | | | | -179.7 | 146.9 | 99.7 | -93.9 | -179.9 | 24.7 | 0 | 0 | 113.6 | | |
| 1133 | H | 32.7 | Very low | 32 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 57% | 0.574 | 68% | 0.683 | S | S | * | * | | | trans | 49.6 | 115.5 | 151.4 | -77.2 | -171.6 | 0 | 0 | 0 | 124.4 | | |
| 1134 | I | 34.6 | Very low | 32.1 | Very low | 79 Ų | 79 | 131 Ų | 131 | 41% | 0.405 | 68% | 0.681 | S | S | . | * | | | | 73.6 | 119.6 | 119.4 | -59.8 | 163.2 | 0 | 0 | 0 | 120.4 | N104 | N104-I1134 WeakPolarHBondContact ND2-CD1 3.48Å; N104-I1134 WeakPolarHBondContact OD1-CD1 3.45Å |
| 1135 | N | 34.7 | Very low | 31.9 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | | | trans | 47.6 | 123.9 | 150.4 | -58.6 | -2.1 | 0 | 0 | 0 | 121.1 | | |
| 1136 | Y | 31 | Very low | 32.1 | Very low | 213 Ų | 213 | 128.3 Ų | 128.3 | 84% | 0.835 | 67% | 0.674 | S | S | * | * | | | trans | -92.7 | 138.8 | 173.2 | -74.9 | -107 | 0 | 0 | 0 | 112.2 | V1138 | Y1136-V1138 HydrophobicContact CD1-CG2 4.38Š|
| 1137 | F | 35.2 | Very low | 32.2 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 82% | 0.816 | 68% | 0.678 | S | S | * | * | | | trans | -135.9 | 142.8 | 150.5 | -100.8 | -94.2 | 0 | 0 | 0 | 106 | | |
| 1138 | V | 37.5 | Very low | 32.3 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 48% | 0.479 | 68% | 0.683 | S | S | . | * | | | trans | -128 | 69.2 | -161.8 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | Q236 E237 Y1136 | Q236-V1138 PolarHBondContact OE1-O 3.22Å; Q236-V1138 VanDerWaalsContact OE1-O 3.13Å; E237-V1138 VanDerWaalsContact CD-N 3.31Å; E237-V1138 VanDerWaalsContact OE1-C 3.28Å; E237-V1138 PolarHBondContact OE1-N 3.46Å; E237-V1138 VanDerWaalsContact OE1-N 3.09Å; E237-V1138 VanDerWaalsContact OE2-C 3.25Å; E237-V1138 WeakPolarHBondContact OE2-CA 3.35Å; E237-V1138 PolarHBondContact OE2-N 3.02Å; Y1136-V1138 HydrophobicContact CD1-CG2 4.38Å |
| 1139 | K | 33.4 | Very low | 32.3 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 44% | 0.443 | 67% | 0.674 | S | S | . | * | | | trans | -67.9 | 144.7 | 172 | -95.4 | -134.1 | 108 | 179 | 0 | 112.2 | Q236 E237 T238 V239 K1141 | Q236-K1139 PolarHBondContact OE1-O 3.23Å; E237-K1139 HydrophobicContact CG-CG 4.16Å; E237-K1139 WeakPolarHBondContact O-CE 3.44Å; E237-K1139 WeakPolarHBondContact OE1-CG 3.31Å; E237-K1139 PolarHBondContact OE1-N 3.4Å; T238-K1139 WeakPolarHBondContact O-CE 3.3Å; T238-K1139 PolarHBondContact O-NZ 2.98Å; V239-K1139 HydrophobicContact CG2-CD 3.8Å; K1139-K1141 PolarHBondContact O-N 2.8Å |
| 1140 | P | 35.6 | Very low | 32.3 | Very low | 58 Ų | 58 | 129.4 Ų | 129.4 | 38% | 0.377 | 67% | 0.674 | S | S | . | * | | | trans | -69.1 | 130.5 | -178.9 | 25.8 | -27.6 | 0 | 0 | 0 | 112.2 | Q236 | Q236-P1140 HydrophobicContact CB-CB 3.79Å; Q236-P1140 HydrophobicContact CB-CG 3.87Å; Q236-P1140 HydrophobicContact CG-CB 4.48Å; Q236-P1140 WeakPolarHBondContact O-CD 3.41Å; Q236-P1140 WeakPolarHBondContact O-CG 3.44Å |
| 1141 | K | 34.7 | Very low | 32.2 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 84% | 0.839 | 67% | 0.67 | S | S | * | * | | | trans | -148 | 142.5 | 168 | -83 | -163.4 | 178 | 179 | 0 | 110.4 | K1139 | K1139-K1141 PolarHBondContact O-N 2.8Š|
| 1142 | S | 31.3 | Very low | 32.2 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | | | cis | -176.6 | -157.3 | -12.9 | 39.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1143 | I | 33.1 | Very low | 32 | Very low | 147 Ų | 147 | 126 Ų | 126 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | | | trans | 85.1 | 120 | 157.2 | -48.9 | -168 | 0 | 0 | 0 | 113.3 | | |
| 1144 | N | 29.8 | Very low | 31.9 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | | | cis | -155.1 | 171.1 | 8.3 | -140.2 | 1.6 | 0 | 0 | 0 | 116.2 | | |
| 1145 | C | 29.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | | | trans | 69.2 | 147.7 | 152.4 | -68.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1146 | T | 31.4 | Very low | 31.5 | Very low | 103 Ų | 103 | 128 Ų | 128 | 63% | 0.632 | 67% | 0.67 | S | S | * | * | | | cis | -166.3 | 107 | -18.5 | -90 | 0 | 0 | 0 | 0 | 104.4 | | |
| 1147 | E | 29.2 | Very low | 31.6 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | | | | 83.9 | 161.4 | 97.2 | -153.4 | -176.9 | -162.3 | 0 | 0 | 113.6 | | |
| 1148 | V | 30.2 | Very low | 31.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | | | trans | 71.2 | 122.7 | 166.9 | -177.4 | 0 | 0 | 0 | 0 | 116 | | |
| 1149 | S | 29.6 | Very low | 31.3 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 62% | 0.622 | 67% | 0.665 | S | S | * | * | | | cis | -175.5 | 164.3 | -0.8 | -112.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1150 | I | 32.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | | | trans | 62.2 | 97.8 | 141.3 | -64.1 | 163.9 | 0 | 0 | 0 | 117.9 | | |
| 1151 | S | 27.8 | Very low | 31.4 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | | | | 80.8 | 123.9 | 80 | -87.4 | 0 | 0 | 0 | 0 | 118 | | |
| 1152 | N | 29.6 | Very low | 31.4 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | | | trans | 67.7 | 156.4 | 143.6 | -48.5 | -19.2 | 0 | 0 | 0 | 116.6 | | |
| 1153 | H | 28.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 129 Ų | 129 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | | | cis | -166.7 | 175.6 | 17.5 | -148.5 | -8.7 | 0 | 0 | 0 | 110.8 | | |
| 1154 | L | 30.6 | Very low | 31.6 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | | | trans | 65.2 | 113.5 | 152.8 | -59.6 | 175.4 | 0 | 0 | 0 | 121.1 | | |
| 1155 | Q | 29.6 | Very low | 32 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 66% | 0.659 | 69% | 0.69 | S | S | * | * | | | | 100.2 | 143.3 | 110.3 | -83.8 | -174.1 | -91.6 | 0 | 0 | 123.1 | | |
| 1156 | N | 32 | Very low | 32.2 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | | | trans | 72.5 | 146.4 | 145.3 | -69.5 | 30.5 | 0 | 0 | 0 | 118 | | |
| 1157 | D | 32.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | | | cis | -158.5 | 163 | -4.3 | -115.4 | -13.8 | 0 | 0 | 0 | 115.5 | | |
| 1158 | L | 32.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | | | trans | 39.5 | 117 | 148.9 | -88.2 | 73.3 | 0 | 0 | 0 | 120.8 | | |
| 1159 | I | 34.1 | Very low | 32.6 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | | | | 101.7 | 118.9 | 69.8 | -88.9 | -173.9 | 0 | 0 | 0 | 113.9 | | |
| 1160 | T | 33.7 | Very low | 32.7 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | | | trans | 168.7 | 150.6 | 140.4 | 33.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1161 | K | 37.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 73% | 0.726 | 70% | 0.702 | S | S | * | * | | | cis | -154.8 | 165.2 | -13.5 | -130.6 | -175.3 | -177.1 | -147.1 | 0 | 112.6 | | |
| 1162 | Q | 34.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | | | trans | 4.5 | 138 | 145.4 | -71.6 | 175.3 | -54.6 | 0 | 0 | 119.8 | | |
| 1163 | N | 35.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | | | cis | -138.9 | 140.8 | 5.2 | -72.6 | -46.8 | 0 | 0 | 0 | 109 | | |
| 1164 | M | 33.8 | Very low | 33.5 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | | | | 52.6 | 134.6 | 73.7 | -61.3 | -155.4 | 76.2 | 0 | 0 | 113.9 | N1166 | M1164-N1166 HydrophobicContact CE-CB 4.2Š|
| 1165 | I | 37.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 140 Ų | 140 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | | | cis | -141.1 | 126.8 | 37.7 | -69.2 | 161.9 | 0 | 0 | 0 | 109 | | |
| 1166 | N | 33.9 | Very low | 33.6 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | | | | 63.8 | 104.2 | 67.8 | -98.7 | 29.3 | 0 | 0 | 0 | 117.8 | M1164 | M1164-N1166 HydrophobicContact CE-CB 4.2Š|
| 1167 | N | 34.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | | | | 179.9 | 145.1 | 111.7 | -91.4 | -15.8 | 0 | 0 | 0 | 113.5 | | |
| 1168 | T | 33.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | | | trans | -128.3 | 137.2 | 161.4 | -51.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1169 | Y | 30.9 | Very low | 33.1 | Very low | 221 Ų | 221 | 141.2 Ų | 141.2 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | | | trans | -144.3 | 151 | 167 | -141.9 | -95.2 | 0 | 0 | 0 | 111.2 | | |
| 1170 | T | 32.7 | Very low | 33.1 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | | | trans | -97.5 | 179.6 | -170.8 | 50 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1171 | H | 32.2 | Very low | 33.1 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | | | trans | 98.7 | 131 | 146.2 | -118 | -53.8 | 0 | 0 | 0 | 118.3 | | |
| 1172 | K | 35.5 | Very low | 33.4 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | | | trans | 76.9 | 154.2 | 157.3 | -55.1 | -167.2 | 173.3 | -168.8 | 0 | 117.6 | | |
| 1173 | D | 34.1 | Very low | 33.6 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | | | cis | -168.5 | 143.7 | -26.1 | -95.2 | -25.3 | 0 | 0 | 0 | 105.9 | | |
| 1174 | E | 32.6 | Very low | 33.4 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 73% | 0.729 | 71% | 0.712 | S | S | * | * | | | trans | 61.8 | 166 | 161.6 | -64.4 | -170.1 | 151.3 | 0 | 0 | 116.3 | | |
| 1175 | K | 32.4 | Very low | 33.4 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | | | cis | -160.1 | 170.3 | -10.3 | -119.3 | 164.1 | -167.3 | 150.5 | 0 | 107.7 | | |
| 1176 | Y | 30.4 | Very low | 33 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | | | trans | 32.3 | 116.1 | 156.3 | -63.8 | -63.3 | 0 | 0 | 0 | 120 | | |
| 1177 | S | 28.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | | 79.5 | 157 | 73.6 | -168.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1178 | S | 29.1 | Very low | 32.5 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | trans | 72.8 | 104 | -178.5 | -150 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1179 | V | 29.1 | Very low | 32.8 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 66% | 0.655 | 71% | 0.706 | S | S | * | * | | | | 68.6 | 95.9 | 69.8 | -179.5 | 0 | 0 | 0 | 0 | 113.6 | I1181 | V1179-I1181 HydrophobicContact CG1-CD1 3.75Å; V1179-I1181 HydrophobicContact CG1-CG1 4.21Å |
| 1180 | H | 33.9 | Very low | 32.9 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | | | | -158.9 | 128.5 | 125.6 | -125.5 | -89.8 | 0 | 0 | 0 | 107.3 | | |
| 1181 | I | 34.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 62% | 0.621 | 70% | 0.697 | S | S | * | * | | | cis | 76.1 | 125.4 | 37.5 | -59.5 | -175.5 | 0 | 0 | 0 | 111.5 | V1179 | V1179-I1181 HydrophobicContact CG1-CD1 3.75Å; V1179-I1181 HydrophobicContact CG1-CG1 4.21Å |
| 1182 | P | 42.8 | Very low | 32.7 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | | | | -108.3 | -158.3 | -120.6 | 39.8 | -33.3 | 0 | 0 | 0 | 113.7 | | |
| 1183 | P | 39 | Very low | 32.9 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | | | | -131 | 165.1 | 90.3 | 41.4 | -29.4 | 0 | 0 | 0 | 112.1 | | |
| 1184 | N | 30.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | | | | 56.7 | 138.3 | 52.1 | -82.4 | 66.3 | 0 | 0 | 0 | 111.5 | | |
| 1185 | D | 34.4 | Very low | 32.2 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | cis | -122.8 | 179.3 | -6.4 | -61.3 | -74.3 | 0 | 0 | 0 | 107.2 | | |
| 1186 | G | 28.9 | Very low | 32 | Very low | 59 Ų | 59 | 128.2 Ų | 128.2 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | | | cis | 152 | 138.7 | 28 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 1187 | V | 29.7 | Very low | 32.1 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | | 58.3 | 116 | 73 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1188 | S | 28 | Very low | 33.1 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | cis | -169.6 | -174.6 | -1.5 | 52 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1189 | L | 39.2 | Very low | 33.3 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | trans | -14 | 151.1 | 154.8 | -73.8 | 71 | 0 | 0 | 0 | 117.6 | T1191 | L1189-T1191 WeakPolarHBondContact CB-OG1 3.23Š|
| 1190 | P | 34.2 | Very low | 33.5 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | | | | -105.8 | 135.5 | 93.9 | -16.5 | 32.5 | 0 | 0 | 0 | 112.6 | | |
| 1191 | T | 31.3 | Very low | 33.5 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 49% | 0.491 | 74% | 0.742 | S | S | . | * | | | cis | 87.5 | 109.9 | 32.4 | -58.9 | 0 | 0 | 0 | 0 | 113.8 | L1189 V1193 | L1189-T1191 WeakPolarHBondContact CB-OG1 3.23Å; T1191-V1193 VanDerWaalsContact CG2-O 3.27Å; T1191-V1193 WeakPolarHBondContact CG2-O 3.32Å |
| 1192 | T | 29.5 | Very low | 33.5 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 93% | 0.933 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -124.7 | 62.7 | 152 | -17.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1193 | V | 38.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 124 Ų | 124 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | | | trans | -137.3 | 145.5 | 168.1 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | T1191 | T1191-V1193 VanDerWaalsContact CG2-O 3.27Å; T1191-V1193 WeakPolarHBondContact CG2-O 3.32Å |
| 1194 | S | 25.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | 92.1 | 155 | 173.4 | -44.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1195 | L | 25.6 | Very low | 32.9 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | | | trans | -91.3 | 162 | 178 | -62 | 146.5 | 0 | 0 | 0 | 110.7 | | |
| 1196 | K | 28.8 | Very low | 32.9 | Very low | 212 Ų | 212 | 125.1 Ų | 125.1 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | | | trans | 101.2 | 163.2 | 160.2 | -132 | 156.5 | -174.6 | 170.4 | 0 | 118.2 | | |
| 1197 | L | 33.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -111.7 | 178.1 | -150.8 | -66.9 | 153.5 | 0 | 0 | 0 | 113 | | |
| 1198 | P | 48.6 | Very low | 33.2 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | cis | -141.3 | -170.1 | -33.5 | 37.1 | -15.6 | 0 | 0 | 0 | 116.3 | | |
| 1199 | D | 32.6 | Very low | 33.6 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | trans | 88.5 | 115 | 147.3 | -65.9 | -24.6 | 0 | 0 | 0 | 127.5 | | |
| 1200 | S | 33.9 | Very low | 33.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | | 102.5 | 101.5 | 128.5 | 72.6 | 0 | 0 | 0 | 0 | 127 | | |
| 1201 | S | 34.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | | 92.6 | 116.4 | 125.1 | 74.2 | 0 | 0 | 0 | 0 | 127.4 | | |
| 1202 | S | 34.7 | Very low | 34.1 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | 71.8 | 154.9 | 138.7 | 75.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1203 | S | 33.2 | Very low | 34.3 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | cis | -173.6 | 156.2 | -28.6 | 65.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1204 | K | 34.3 | Very low | 34 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | 70.2 | 159 | 159.7 | -64 | 162 | -175.1 | 170.4 | 0 | 117.5 | | |
| 1205 | S | 32.4 | Very low | 34.2 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | cis | 179 | 160.4 | -14.3 | 50.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1206 | S | 33.2 | Very low | 34.5 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | cis | -177.6 | -178.3 | -11.7 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1207 | S | 33.1 | Very low | 34.4 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 65.9 | 146.8 | 164.1 | 42.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1208 | S | 32.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 117.3 Ų | 117.3 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | cis | -170 | 152 | -11.1 | 49.9 | 0 | 0 | 0 | 0 | 114 | | |
| 1209 | N | 35.5 | Very low | 33.2 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | 80.8 | 141.9 | 154.1 | -61.8 | -2.9 | 0 | 0 | 0 | 121.7 | | |
| 1210 | S | 36.2 | Very low | 33.1 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -109.1 | -167.7 | -178.4 | 58 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1211 | P | 44.5 | Very low | 32.9 | Very low | 108 Ų | 108 | 123 Ų | 123 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | cis | -144.5 | -156.3 | 12.2 | 44.8 | -22.8 | 0 | 0 | 0 | 116.7 | | |
| 1212 | S | 33.9 | Very low | 32.8 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 72.4 | 103.7 | 164.3 | 32.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1213 | T | 34 | Very low | 32.6 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | | 58.5 | 133.4 | 78.6 | 63 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1214 | S | 32.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | cis | -154.6 | 153.3 | 7.3 | 39.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1215 | S | 30.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -31.7 | 131.9 | 169 | 49.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1216 | S | 31.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | -128.1 | 140.5 | 136.7 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1217 | C | 27.4 | Very low | 31.8 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | | | trans | -90.7 | 118.6 | -169.5 | -65 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1218 | S | 28.5 | Very low | 31.6 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -136.1 | 155.7 | 170.1 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1219 | N | 28 | Very low | 31.4 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | -44 | 135.6 | -173.8 | -56.2 | -79.5 | 0 | 0 | 0 | 114.1 | | |
| 1220 | H | 31.2 | Very low | 31.1 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | | | trans | -151.7 | 119 | 143 | -119.3 | -69.5 | 0 | 0 | 0 | 115 | | |
| 1221 | I | 29.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -64.2 | 129.1 | 159.4 | -64.7 | 158 | 0 | 0 | 0 | 108.9 | | |
| 1222 | L | 32.3 | Very low | 30.1 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | | | trans | -166.1 | 124.6 | 143.6 | -90.5 | -177.7 | 0 | 0 | 0 | 107.5 | | |
| 1223 | K | 30.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | cis | 110.5 | 137.7 | 14.9 | -171.5 | -174.1 | -177.3 | 174.8 | 0 | 111.8 | | |
| 1224 | Y | 28.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | trans | 78.7 | 139.9 | -174.1 | -61.4 | -86.1 | 0 | 0 | 0 | 116 | | |
| 1225 | N | 28.5 | Very low | 29.9 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | cis | 134.8 | 160.8 | -11.2 | -87 | -28.4 | 0 | 0 | 0 | 109.5 | | |
| 1226 | R | 28.4 | Very low | 29.9 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 75% | 0.751 | 76% | 0.755 | S | S | * | * | | | trans | 76.6 | 140.9 | 155.1 | -164.4 | -177.2 | -67.6 | -92.9 | 3.9 | 115.1 | | |
| 1227 | E | 31 | Very low | 30.4 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | | | cis | -140.8 | 148.6 | -5.1 | -119 | 133.4 | -153.7 | 0 | 0 | 105.3 | | |
| 1228 | V | 29.5 | Very low | 30.8 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | | | cis | 80.4 | 128.9 | 46 | 176.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1229 | T | 28.6 | Very low | 31 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | | | trans | 63.5 | 152.7 | 171.5 | 47.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1230 | D | 28.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | | | cis | -157.1 | 164.9 | -5.6 | -119.8 | -29.3 | 0 | 0 | 0 | 110.3 | | |
| 1231 | G | 30.5 | Very low | 31.3 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | | | trans | 161 | 89 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1232 | L | 28.6 | Very low | 31.3 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | | | trans | -33.4 | 147.4 | 163 | -58.9 | 163.4 | 0 | 0 | 0 | 114.7 | | |
| 1233 | D | 29.2 | Very low | 31.1 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | | | | -164.2 | 155.4 | 58.3 | -121.7 | -13.5 | 0 | 0 | 0 | 115.1 | | |
| 1234 | L | 32.7 | Very low | 31 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | trans | 35 | 121.9 | 146.2 | -56.7 | 164.6 | 0 | 0 | 0 | 119.1 | | |
| 1235 | N | 34.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | | 175.7 | 140.5 | 58.6 | -170.4 | 7.4 | 0 | 0 | 0 | 111.4 | | |
| 1236 | N | 30.5 | Very low | 30.8 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | -1.8 | 130.3 | 165.1 | -58.4 | -57.8 | 0 | 0 | 0 | 119.2 | | |
| 1237 | Q | 41.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | | -158.6 | 148.1 | 69.9 | -89.5 | -178.6 | -5.6 | 0 | 0 | 115.6 | | |
| 1238 | N | 36.6 | Very low | 30.8 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | 63.6 | 72.7 | 154.5 | -66.5 | 35.9 | 0 | 0 | 0 | 120.1 | | |
| 1239 | I | 32.2 | Very low | 30.8 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | | -74.5 | 146.2 | 122.2 | -63.4 | 166.3 | 0 | 0 | 0 | 107.5 | | |
| 1240 | E | 37.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 161.4 | 131.7 | 148.7 | -88.6 | 158.8 | -139.4 | 0 | 0 | 108.2 | F1242 | E1240-F1242 HydrophobicContact CG-CE2 4.25Š|
| 1241 | H | 27.9 | Very low | 31 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | cis | 82 | 164 | 40.1 | -159 | -97.1 | 0 | 0 | 0 | 113.4 | | |
| 1242 | F | 30.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 145 Ų | 145 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | | | trans | 70.6 | 115.9 | -168.7 | -52.4 | -79.9 | 0 | 0 | 0 | 114.4 | E1240 | E1240-F1242 HydrophobicContact CG-CE2 4.25Š|
| 1243 | N | 27.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | | | cis | 62.6 | 120.7 | 7.7 | -153.6 | 2.6 | 0 | 0 | 0 | 115.4 | | |
| 1244 | L | 28 | Very low | 31.6 | Very low | 142 Ų | 142 | 144 Ų | 144 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | trans | 62 | 152.2 | -170.2 | -92 | 60.4 | 0 | 0 | 0 | 113.6 | | |
| 1245 | M | 26.8 | Very low | 31.7 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | | | cis | -145.7 | 168.3 | 11.2 | -124.4 | -53.7 | -136.9 | 0 | 0 | 111.2 | | |
| 1246 | H | 27.2 | Very low | 31.4 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | trans | -50.6 | 142.7 | 161.7 | -74.9 | -107.5 | 0 | 0 | 0 | 112.6 | | |
| 1247 | N | 29.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | | | | -153.5 | 151.2 | 107.2 | -119.1 | -54.5 | 0 | 0 | 0 | 115.8 | | |
| 1248 | L | 29.5 | Very low | 30.9 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 71% | 0.707 | 72% | 0.722 | S | S | * | * | | | trans | -84.2 | 163.2 | 173.7 | -70.9 | 153.5 | 0 | 0 | 0 | 110.3 | | |
| 1249 | N | 29.7 | Very low | 30.7 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | 102.8 | 144.2 | 159.8 | -64.6 | -68.2 | 0 | 0 | 0 | 117.1 | | |
| 1250 | N | 30.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | | | cis | -172.4 | 161.9 | -24.6 | -151.1 | -42.8 | 0 | 0 | 0 | 107 | | |
| 1251 | K | 31.7 | Very low | 30.2 | Very low | 162 Ų | 162 | 143 Ų | 143 | 70% | 0.704 | 72% | 0.717 | S | S | * | * | | | trans | 58.7 | 113 | 160.8 | -80 | 155.8 | -175.7 | 176.7 | 0 | 119.7 | | |
| 1252 | N | 31.9 | Very low | 30.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | | | | 44.7 | 124.1 | 111.8 | -48.6 | 10.3 | 0 | 0 | 0 | 118.8 | | |
| 1253 | N | 36.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | | -167.3 | 121.8 | 91.9 | -79.5 | -35.1 | 0 | 0 | 0 | 108 | | |
| 1254 | N | 31.5 | Very low | 29.9 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | | 63.9 | 86.3 | 66.9 | -68.6 | 19.8 | 0 | 0 | 0 | 113.8 | | |
| 1255 | N | 34 | Very low | 29.9 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | | | | -164.4 | 125.5 | 122.1 | -92.3 | -19.6 | 0 | 0 | 0 | 107.7 | | |
| 1256 | M | 29.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 64% | 0.635 | 73% | 0.729 | S | S | * | * | | | | 72.1 | 98.5 | 52.2 | -62.7 | -61.6 | -68.1 | 0 | 0 | 113.3 | E1258 | M1256-E1258 HydrophobicContact CE-CG 4.38Š|
| 1257 | N | 33.8 | Very low | 30.2 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | | | trans | -179.5 | 100.4 | 143.9 | -88.7 | -11.2 | 0 | 0 | 0 | 103.5 | | |
| 1258 | E | 27.3 | Very low | 30.3 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | | 40.6 | 89.8 | 65 | -65.8 | -158.6 | 145.1 | 0 | 0 | 112.4 | M1256 | M1256-E1258 HydrophobicContact CE-CG 4.38Š|
| 1259 | H | 33.6 | Very low | 30.3 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | | | trans | -166.3 | 117.9 | 136.9 | -103 | -66.5 | 0 | 0 | 0 | 107.3 | | |
| 1260 | H | 28.3 | Very low | 30.4 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | | 71.3 | 129.1 | 105.6 | -91.3 | -121.9 | 0 | 0 | 0 | 116.8 | | |
| 1261 | L | 29.4 | Very low | 30.5 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | 57 | 108 | 139.3 | -59.5 | 172.2 | 0 | 0 | 0 | 119.5 | | |
| 1262 | A | 26.9 | Very low | 30.4 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | | | | 71.4 | 138.3 | 119.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1263 | Y | 25.8 | Very low | 30.4 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | 63.1 | 115.1 | 139.5 | -92 | -113.6 | 0 | 0 | 0 | 121.2 | | |
| 1264 | N | 27.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | | 42.5 | 107.9 | 122.6 | -60 | 0.5 | 0 | 0 | 0 | 119.2 | | |
| 1265 | S | 27.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -166.3 | 142.1 | 156.3 | -78.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1266 | Y | 27.6 | Very low | 30 | Very low | 204 Ų | 204 | 151.9 Ų | 151.9 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | cis | -163.5 | 131.6 | -16.6 | -116.2 | -69.8 | 0 | 0 | 0 | 103.2 | | |
| 1267 | T | 33.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | | | | 177.1 | 146.9 | 77.9 | 46 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1268 | G | 31.1 | Very low | 30.1 | Very low | 56 Ų | 56 | 150.8 Ų | 150.8 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | | | cis | 165.4 | 179 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1269 | R | 29.9 | Very low | 30.3 | Very low | 234 Ų | 234 | 151.4 Ų | 151.4 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | | | trans | 73.1 | 125.4 | -180 | -49.4 | -175.6 | -142.4 | -107.9 | 9.6 | 112.6 | | |
| 1270 | R | 32 | Very low | 30 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | cis | -159.8 | 143.2 | 8.7 | -108.7 | 171.4 | -155.6 | -165.5 | 8.5 | 109.8 | | |
| 1271 | Y | 32.6 | Very low | 30.1 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | 49.1 | 118.4 | 163.3 | -54.1 | -68.5 | 0 | 0 | 0 | 117.1 | | |
| 1272 | S | 28.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 149.8 Ų | 149.8 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | | 64.8 | 139.4 | 58 | 97.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1273 | D | 33.2 | Very low | 30.3 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | | | cis | -140.1 | 144.8 | 16.2 | -92.8 | -69.8 | 0 | 0 | 0 | 115.4 | | |
| 1274 | N | 29.3 | Very low | 30.6 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | 18.7 | 156.3 | 132.2 | -73.4 | -61.5 | 0 | 0 | 0 | 123.9 | | |
| 1275 | Y | 32.7 | Very low | 30.8 | Very low | 188 Ų | 188 | 149 Ų | 149 | 74% | 0.737 | 74% | 0.738 | S | S | * | * | | | trans | 78.3 | 103.1 | 154.9 | -96.8 | -127.7 | 0 | 0 | 0 | 118.5 | H1277 | Y1275-H1277 HydrophobicContact CD1-CB 4.2Å; Y1275-H1277 AromaticContact CD1-CD2 3.63Å; Y1275-H1277 AromaticContact CE1-CD2 3.64Å; Y1275-H1277 PolarHBondContact O-N 2.91Å |
| 1276 | E | 31 | Very low | 31.2 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | | | trans | -63.3 | 109.5 | 139.2 | -77.6 | -154.6 | 144.6 | 0 | 0 | 108.8 | | |
| 1277 | H | 32.6 | Very low | 31.5 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 73% | 0.731 | 73% | 0.733 | S | S | * | * | | | trans | -141.1 | 102.1 | 153.2 | -118.6 | -86.6 | 0 | 0 | 0 | 109.5 | Y1275 | Y1275-H1277 HydrophobicContact CD1-CB 4.2Å; Y1275-H1277 AromaticContact CD1-CD2 3.63Å; Y1275-H1277 AromaticContact CE1-CD2 3.64Å; Y1275-H1277 PolarHBondContact O-N 2.91Å |
| 1278 | S | 32.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | -72.6 | 146.4 | 172 | 81.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1279 | K | 31.6 | Very low | 31.5 | Very low | 170 Ų | 170 | 150 Ų | 150 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | | | trans | 78.9 | 111.4 | 157.4 | -75.9 | 173.9 | 176.1 | 170.3 | 0 | 120.8 | | |
| 1280 | F | 28.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 77% | 0.772 | 73% | 0.729 | S | S | * | * | | | trans | 97.8 | 137.3 | 134.8 | -70.4 | -55.8 | 0 | 0 | 0 | 120.5 | | |
| 1281 | L | 29 | Very low | 31.6 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | | | trans | 64.9 | 140.9 | 179.8 | -58.7 | 113.8 | 0 | 0 | 0 | 116.4 | | |
| 1282 | S | 28.9 | Very low | 31.5 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 58% | 0.58 | 72% | 0.722 | S | S | * | * | | | cis | -162.1 | 156.6 | -29.7 | 77.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1283 | H | 32 | Very low | 31.7 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | trans | 62.9 | 112.9 | 158.5 | -63.1 | 104.8 | 0 | 0 | 0 | 120.6 | | |
| 1284 | N | 31.4 | Very low | 31.8 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | | | | 80 | 109.4 | 120.7 | -64.3 | 6.7 | 0 | 0 | 0 | 121.6 | | |
| 1285 | N | 32.6 | Very low | 32 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | | 84.9 | 134.6 | 122.6 | -60.4 | -7.2 | 0 | 0 | 0 | 120.5 | | |
| 1286 | S | 34.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | 71 | 143.4 | 138.8 | 63.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1287 | N | 34 | Very low | 32.4 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | cis | -169.2 | 161.5 | -8.5 | -111 | -9.5 | 0 | 0 | 0 | 109.6 | | |
| 1288 | L | 36.1 | Very low | 32.4 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | 65.3 | 139.6 | 150.7 | -94.4 | 72.7 | 0 | 0 | 0 | 117.9 | | |
| 1289 | I | 28.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | cis | 67.3 | 137.4 | 15.8 | -51.2 | 178.2 | 0 | 0 | 0 | 114 | | |
| 1290 | P | 36.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | | | cis | -101.8 | -113.8 | -2.1 | 15.3 | 10.1 | 0 | 0 | 0 | 110.9 | | |
| 1291 | S | 28.7 | Very low | 32.3 | Very low | 84 Ų | 84 | 123 Ų | 123 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | | | cis | -164.9 | 124.6 | -5 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1292 | T | 30.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | | | trans | 61.4 | 166.8 | 138.9 | 65.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1293 | T | 33.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | | | cis | -155.4 | 133.5 | 18.2 | -33 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1294 | G | 33.7 | Very low | 32.5 | Very low | 63 Ų | 63 | 124.1 Ų | 124.1 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | | | trans | 70.3 | 169.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 1295 | N | 33.6 | Very low | 32.5 | Very low | 156 Ų | 156 | 121.4 Ų | 121.4 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | | | cis | -156.9 | 171.9 | -10.4 | -120.9 | 14.7 | 0 | 0 | 0 | 110.3 | | |
| 1296 | P | 41 | Very low | 32.5 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | | | | -133.5 | -150.7 | -125.3 | 34.2 | -9.9 | 0 | 0 | 0 | 114.1 | | |
| 1297 | L | 30.7 | Very low | 32.2 | Very low | 128 Ų | 128 | 125 Ų | 125 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | | | trans | 87.1 | 154.8 | 166.8 | -47.2 | 158.9 | 0 | 0 | 0 | 114.3 | | |
| 1298 | Y | 32.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 71% | 0.71 | 71% | 0.711 | S | S | * | * | | | cis | -148.2 | 141 | 14.3 | -113.5 | -57.5 | 0 | 0 | 0 | 112.3 | | |
| 1299 | N | 31.1 | Very low | 31.6 | Very low | 133 Ų | 133 | 125 Ų | 125 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | | | trans | 47.4 | 161.1 | 140.4 | -76 | 15.2 | 0 | 0 | 0 | 122 | | |
| 1300 | V | 32.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 66% | 0.655 | 72% | 0.716 | S | S | * | * | | | cis | -150.3 | 137.2 | 2.2 | 107.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1301 | S | 26.8 | Very low | 31.4 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | | 55.4 | 148.5 | 90.6 | -31.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1302 | E | 32 | Very low | 31.5 | Very low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | cis | -153.8 | 171.9 | 18.9 | -82.9 | -158.8 | 103 | 0 | 0 | 107.6 | | |
| 1303 | T | 32.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | | | cis | -166.4 | 168.6 | 0.2 | 16.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1304 | I | 31 | Very low | 31 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | 38.8 | 130 | 140.9 | -56.8 | 156.9 | 0 | 0 | 0 | 119.5 | | |
| 1305 | G | 31.1 | Very low | 30.6 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | | | cis | 150.5 | -172.1 | -0.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1306 | N | 32.1 | Very low | 30.3 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | 71.8 | 111.7 | 166.2 | -58.3 | -13 | 0 | 0 | 0 | 116.6 | | |
| 1307 | H | 28.7 | Very low | 29.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | | | | 73.9 | 131.1 | 85.7 | -74.9 | 33.4 | 0 | 0 | 0 | 113.5 | | |
| 1308 | C | 30.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 72% | 0.716 | 73% | 0.726 | S | S | * | * | | | cis | -133.9 | 153.8 | 3.5 | -69 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1309 | H | 25.9 | Very low | 29.2 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | | 47.7 | 86.6 | 68.3 | -95.6 | -60.3 | 0 | 0 | 0 | 116.1 | | |
| 1310 | I | 31.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | | | trans | -135.6 | 131.1 | 139.6 | -63.3 | -172.7 | 0 | 0 | 0 | 108.2 | I1312 | I1310-I1312 HydrophobicContact CG2-CD1 4.11Å; I1310-I1312 HydrophobicContact CG2-CG1 3.96Å |
| 1311 | T | 30.8 | Very low | 28.9 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -134.5 | 100.2 | 174 | -54 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1312 | I | 29.8 | Very low | 29 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | -140.8 | 108.5 | 175.1 | -49.8 | 179.5 | 0 | 0 | 0 | 104.9 | I1310 | I1310-I1312 HydrophobicContact CG2-CD1 4.11Å; I1310-I1312 HydrophobicContact CG2-CG1 3.96Å |
| 1313 | S | 23.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | | | cis | 84.3 | 99.1 | 42.2 | -164.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1314 | K | 30.7 | Very low | 28.7 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | 41.6 | 134.4 | 150.9 | -68 | -175 | 174.3 | -179.1 | 0 | 119.9 | | |
| 1315 | R | 24.6 | Very low | 28.6 | Very low | 226 Ų | 226 | 133.4 Ų | 133.4 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | | | trans | 69.6 | 169.7 | 177.1 | -38 | 176 | -179.7 | 160 | -3.2 | 110.7 | | |
| 1316 | Q | 27.3 | Very low | 28.4 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | | | cis | -152.8 | 134.1 | 6.6 | -169.2 | 142.7 | -18.6 | 0 | 0 | 112 | | |
| 1317 | D | 26.6 | Very low | 28.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | | | trans | 49.8 | -178.8 | 158.2 | -49.1 | -19.8 | 0 | 0 | 0 | 118 | | |
| 1318 | N | 26.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | | | trans | 50.1 | 143.6 | 140.6 | -66 | -7 | 0 | 0 | 0 | 121.2 | | |
| 1319 | T | 28.6 | Very low | 28.5 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 54% | 0.54 | 70% | 0.697 | S | S | . | * | | | cis | -172.5 | 119.6 | -0.9 | -100.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1320 | T | 28.1 | Very low | 28.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | | | | 58.9 | -162.5 | 129 | -38.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1321 | I | 28.9 | Very low | 28.7 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | | | trans | 66.1 | 73.3 | 170.3 | -51 | 179.4 | 0 | 0 | 0 | 112.6 | | |
| 1322 | T | 29.2 | Very low | 28.8 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | | | | 70 | 169.3 | 75.3 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1323 | N | 29.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 68% | 0.682 | S | S | * | * | | | cis | -149 | 168.8 | 21.5 | -121.4 | -15.9 | 0 | 0 | 0 | 109.5 | | |
| 1324 | L | 28.3 | Very low | 29.2 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | | | | 34.2 | 145.4 | 102.1 | -49.2 | 174.1 | 0 | 0 | 0 | 115.1 | | |
| 1325 | Q | 29 | Very low | 29.2 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | | | cis | -152.1 | 131 | 33.3 | -114 | 103.7 | 0.5 | 0 | 0 | 107.9 | | |
| 1326 | S | 27.5 | Very low | 29.4 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | | | | 77 | 160.2 | 75.2 | 83.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1327 | I | 29.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | | | trans | 79.9 | 130.2 | 173.3 | -52 | 147.3 | 0 | 0 | 0 | 111.4 | | |
| 1328 | N | 31 | Very low | 30 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | | | cis | -149.7 | 163.3 | 18.9 | -134.1 | -7.8 | 0 | 0 | 0 | 113.6 | | |
| 1329 | N | 31 | Very low | 30 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | | | trans | 8.1 | 146.3 | 142.6 | -53.5 | -12.7 | 0 | 0 | 0 | 118.9 | | |
| 1330 | N | 31.6 | Very low | 30.3 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | | | cis | -173.9 | 176.5 | 14.3 | -113.9 | 7.5 | 0 | 0 | 0 | 107.7 | | |
| 1331 | S | 30.6 | Very low | 30.9 | Very low | 79 Ų | 79 | 120.8 Ų | 120.8 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | | | cis | -175.4 | 161.3 | -14.4 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1332 | N | 33.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | | | trans | 69.8 | 116.4 | 175.1 | -53.6 | -21.2 | 0 | 0 | 0 | 114.8 | | |
| 1333 | C | 28.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 69% | 0.689 | 69% | 0.694 | S | S | * | * | | | cis | 71.8 | 135.3 | 27.2 | -138 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1334 | T | 31.8 | Very low | 30.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | | | cis | -141.1 | 172.7 | 21.4 | -24.1 | 0 | 0 | 0 | 0 | 107.5 | I1336 | T1334-I1336 HydrophobicContact CG2-CD1 4.09Š|
| 1335 | K | 31.3 | Very low | 30.4 | Very low | 186 Ų | 186 | 125.6 Ų | 125.6 | 81% | 0.809 | 71% | 0.712 | S | S | * | * | | | cis | -158.9 | -174.2 | 16.7 | -165.9 | 173.8 | 176.1 | -177.5 | 0 | 109.4 | | |
| 1336 | I | 30 | Very low | 30.3 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 53% | 0.533 | 72% | 0.719 | S | S | . | * | | | | -167.8 | 124.4 | -92.2 | -89 | 162 | 0 | 0 | 0 | 109.9 | T1334 S1338 | T1334-I1336 HydrophobicContact CG2-CD1 4.09Å; I1336-S1338 WeakPolarHBondContact CG2-OG 3.46Å |
| 1337 | T | 36.5 | Very low | 30.2 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 87% | 0.871 | 73% | 0.73 | S | S | * | * | | | trans | 178.9 | 79.6 | 156.6 | 33.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1338 | S | 28.3 | Very low | 30.2 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 58% | 0.58 | 73% | 0.725 | S | S | * | * | | | cis | 72.1 | 124.6 | 31.9 | 89.2 | 0 | 0 | 0 | 0 | 113.9 | I1336 | I1336-S1338 WeakPolarHBondContact CG2-OG 3.46Š|
| 1339 | T | 27.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | | | cis | -138.8 | 149.8 | 6.1 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1340 | T | 34.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | | | cis | 71.4 | 158.8 | 36.1 | 82.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1341 | P | 40.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | | | | -112.2 | -160.9 | -119.4 | 28 | -4.8 | 0 | 0 | 0 | 111.9 | | |
| 1342 | F | 25.6 | Very low | 30.4 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | | | | 172.3 | 168.1 | 127.4 | -95.4 | -62.8 | 0 | 0 | 0 | 113.9 | | |
| 1343 | S | 26.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | | | trans | -103 | 167.7 | 175.9 | -43.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1344 | L | 28 | Very low | 31.1 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | | | trans | 77.9 | 157.4 | 167.4 | -83.2 | 78.6 | 0 | 0 | 0 | 119.5 | | |
| 1345 | S | 25.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | | | trans | 77.8 | 98.6 | 166.2 | 52 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1346 | Y | 25.5 | Very low | 31.2 | Very low | 210 Ų | 210 | 128.4 Ų | 128.4 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | | | | 37.5 | 137.3 | 122.8 | -83.4 | -93 | 0 | 0 | 0 | 122.5 | | |
| 1347 | H | 26.9 | Very low | 31.4 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | | | trans | 60.5 | 113.8 | 168.4 | -58.4 | -69 | 0 | 0 | 0 | 114.7 | | |
| 1348 | D | 30 | Very low | 31.1 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | | | | -167.8 | 132.8 | 55.3 | -178.8 | -16.7 | 0 | 0 | 0 | 109.1 | N1350 | D1348-N1350 PolarHBondContact O-N 3.44Å; D1348-N1350 VanDerWaalsContact OD1-CB 3.25Å; D1348-N1350 WeakPolarHBondContact OD1-CB 3.39Å; D1348-N1350 PolarHBondContact OD1-N 2.72Å |
| 1349 | P | 32.5 | Very low | 31.3 | Very low | 84 Ų | 84 | 134 Ų | 134 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -64.4 | -18.2 | 177.7 | -19.9 | 31.9 | 0 | 0 | 0 | 114.9 | E1014 T1351 | E1014-P1349 HydrophobicContact CB-CG 3.8Å; P1349-T1351 PolarHBondContact O-N 2.87Å |
| 1350 | N | 31.9 | Very low | 31.5 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 39% | 0.39 | 70% | 0.704 | S | S | . | * | | | trans | -100.7 | 38.1 | -148.7 | -146.7 | -26.6 | 0 | 0 | 0 | 116.1 | D1016 D1348 | D1016-N1350 VanDerWaalsContact CG-ND2 3.33Å; D1016-N1350 PolarHBondContact OD1-ND2 3.43Å; D1016-N1350 PolarHBondContact OD2-ND2 3.38Å; D1016-N1350 PolarHBondContact OD2-OD1 3.49Å; D1348-N1350 PolarHBondContact O-N 3.44Å; D1348-N1350 VanDerWaalsContact OD1-CB 3.25Å; D1348-N1350 WeakPolarHBondContact OD1-CB 3.39Å; D1348-N1350 PolarHBondContact OD1-N 2.72Å |
| 1351 | T | 35.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | | | trans | -151.3 | 49.8 | 176.9 | -30.8 | 0 | 0 | 0 | 0 | 117.4 | P1349 | P1349-T1351 PolarHBondContact O-N 2.87Š|
| 1352 | M | 28.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | | | trans | -130.3 | 17.7 | 160.5 | -140.4 | -176.5 | -69 | 0 | 0 | 116.8 | Q1354 | M1352-Q1354 PolarHBondContact O-N 2.85Š|
| 1353 | N | 35.6 | Very low | 31.1 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 39.8 | 166.5 | -77.3 | -44.9 | 0 | 0 | 0 | 113.6 | T1357 | N1353-T1357 PolarHBondContact O-OG1 3.31Š|
| 1354 | Q | 40 | Very low | 31.4 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | -11 | -179 | -63.1 | -165.7 | 31.2 | 0 | 0 | 116 | M1352 T1357 | M1352-Q1354 PolarHBondContact O-N 2.85Å; Q1354-T1357 PolarHBondContact N-OG1 3.4Å |
| 1355 | L | 32.5 | Very low | 31.5 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 64% | 0.644 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -44.4 | 177.2 | -93.5 | 165.6 | 0 | 0 | 0 | 114.1 | T1357 R1358 | L1355-T1357 PolarHBondContact O-N 3.46Å; L1355-R1358 PolarHBondContact O-N 3.07Å; L1355-R1358 VanDerWaalsContact O-N 3.16Å |
| 1356 | L | 32.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -63.3 | -24.6 | 166.9 | -96.9 | 63.4 | 0 | 0 | 0 | 111.7 | R1358 L1359 N1360 | L1356-R1358 PolarHBondContact O-N 3.39Å; L1356-R1358 VanDerWaalsContact O-N 3.1Å; L1356-L1359 PolarHBondContact O-N 2.9Å; L1356-N1360 PolarHBondContact O-N 3.08Å |
| 1357 | T | 34.5 | Very low | 32.1 | Very low | 85 Ų | 85 | 132 Ų | 132 | 52% | 0.521 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -71.6 | 9.6 | 173.7 | -25.3 | 0 | 0 | 0 | 0 | 114.2 | N1353 Q1354 L1355 | N1353-T1357 PolarHBondContact O-OG1 3.31Å; Q1354-T1357 PolarHBondContact N-OG1 3.4Å; L1355-T1357 PolarHBondContact O-N 3.46Å |
| 1358 | R | 30.1 | Very low | 32.3 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 75% | 0.751 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -121.5 | -5.1 | 174 | -82.7 | -173.1 | 170.8 | 174.5 | 0.6 | 115.8 | L1355 L1356 | L1355-R1358 PolarHBondContact O-N 3.07Å; L1355-R1358 VanDerWaalsContact O-N 3.16Å; L1356-R1358 PolarHBondContact O-N 3.39Å; L1356-R1358 VanDerWaalsContact O-N 3.1Å |
| 1359 | L | 31.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -16.4 | 174.1 | -71.3 | 174.8 | 0 | 0 | 0 | 114.1 | L1356 | L1356-L1359 PolarHBondContact O-N 2.9Š|
| 1360 | N | 31.8 | Very low | 32.5 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -98.3 | 25.6 | 171.3 | -75.2 | -45.6 | 0 | 0 | 0 | 113.7 | L1356 M1362 | L1356-N1360 PolarHBondContact O-N 3.08Å; N1360-M1362 PolarHBondContact O-N 3.27Å |
| 1361 | S | 30.8 | Very low | 32.3 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | | | trans | -96.9 | 86.1 | 171.1 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1362 | M | 31.2 | Very low | 32.2 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | trans | -0.5 | 139.2 | 145.2 | -83.3 | -76.3 | 116 | 0 | 0 | 117 | N1360 A1364 | N1360-M1362 PolarHBondContact O-N 3.27Å; M1362-A1364 HydrophobicContact CE-CB 4.09Å; M1362-A1364 HydrophobicContact SD-CB 3.87Å; M1362-A1364 PolarHBondContact SD-N 2.87Å |
| 1363 | P | 31.7 | Very low | 32.2 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | | | | -135.3 | 129.6 | 60.9 | 35.3 | -19.7 | 0 | 0 | 0 | 116.7 | T1365 | P1363-T1365 PolarHBondContact O-N 3.01Š|
| 1364 | A | 31.8 | Very low | 32 | Very low | 64 Ų | 64 | 137.2 Ų | 137.2 | 53% | 0.529 | 70% | 0.702 | S | S | . | * | | | trans | -58.3 | 126.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | M1362 H1366 | M1362-A1364 HydrophobicContact CE-CB 4.09Å; M1362-A1364 HydrophobicContact SD-CB 3.87Å; M1362-A1364 PolarHBondContact SD-N 2.87Å; A1364-H1366 VanDerWaalsContact C-N 3.33Å; A1364-H1366 PolarHBondContact O-N 3.39Å |
| 1365 | T | 31 | Very low | 31.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | | | trans | -79.2 | 74.4 | -166 | 37.8 | 0 | 0 | 0 | 0 | 113 | P1363 Y1367 | P1363-T1365 PolarHBondContact O-N 3.01Å; T1365-Y1367 PolarHBondContact O-N 3.12Å |
| 1366 | H | 31.4 | Very low | 31.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | | | trans | -59 | 125.6 | 169.3 | -100.4 | -87.1 | 0 | 0 | 0 | 111.4 | A1364 S1368 | A1364-H1366 VanDerWaalsContact C-N 3.33Å; A1364-H1366 PolarHBondContact O-N 3.39Å; H1366-S1368 PolarHBondContact O-N 3.03Å |
| 1367 | Y | 31.4 | Very low | 31.7 | Very low | 229 Ų | 229 | 134.9 Ų | 134.9 | 90% | 0.898 | 69% | 0.692 | S | S | * | * | | | trans | -61.9 | 120.9 | 174.3 | -93.8 | -114.8 | 0 | 0 | 0 | 111.1 | T1365 | T1365-Y1367 PolarHBondContact O-N 3.12Š|
| 1368 | S | 31.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 71% | 0.705 | S | S | * | * | | | trans | -154.8 | 120.6 | 158 | -83.8 | 0 | 0 | 0 | 0 | 110.5 | H1366 | H1366-S1368 PolarHBondContact O-N 3.03Š|
| 1369 | R | 34.5 | Very low | 31.9 | Very low | 227 Ų | 227 | 136.6 Ų | 136.6 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | | | trans | -118 | 120.2 | -173.7 | -175.7 | -173.1 | -173.8 | -173.8 | 4.7 | 108.3 | | |
| 1370 | P | 31.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | | | | -135.2 | 138.9 | 110.8 | 33.1 | -20.6 | 0 | 0 | 0 | 111.3 | | |
| 1371 | D | 29.6 | Very low | 32.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 58% | 0.583 | 69% | 0.692 | S | S | * | * | | | cis | 89 | 147.6 | 47.3 | -164.6 | 37.3 | 0 | 0 | 0 | 114.7 | | |
| 1372 | Q | 32 | Very low | 32.4 | Very low | 128 Ų | 128 | 136 Ų | 136 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | | | trans | 66.4 | 65.1 | 164.1 | -83.9 | 174.1 | 85.8 | 0 | 0 | 122.2 | T884 | T884-Q1372 PolarHBondContact OG1-O 3.34Š|
| 1373 | S | 27.7 | Very low | 32.6 | Very low | 56 Ų | 56 | 133.1 Ų | 133.1 | 39% | 0.392 | 70% | 0.697 | S | S | . | * | | | | 72.6 | 155.8 | 103.3 | 78.9 | 0 | 0 | 0 | 0 | 123.6 | T884 | T884-S1373 PolarHBondContact OG1-O 3.37Š|
| 1374 | R | 32.6 | Very low | 32.8 | Very low | 183 Ų | 183 | 140 Ų | 140 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | | | trans | 78.2 | 135.5 | 136.2 | -87.6 | 169.5 | -173.8 | 158 | 2.9 | 121.6 | P885 | P885-R1374 VanDerWaalsContact CD-O 3.24Å; P885-R1374 WeakPolarHBondContact CD-O 3.49Å; P885-R1374 WeakPolarHBondContact CG-O 3.46Å |
| 1375 | N | 33.1 | Very low | 33 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 56% | 0.556 | 72% | 0.718 | S | S | * | * | | | trans | 102.5 | 131.8 | 150.2 | -60.5 | -24.7 | 0 | 0 | 0 | 115.8 | | |
| 1376 | M | 31.6 | Very low | 33.5 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 70% | 0.7 | 72% | 0.724 | S | S | * | * | | | cis | -170.1 | 176.7 | -3.4 | -129.2 | -168 | -54.5 | 0 | 0 | 115.1 | | |
| 1377 | I | 33.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 57% | 0.569 | 72% | 0.718 | S | S | * | * | | | trans | 91.6 | 98.7 | 142.4 | -81.8 | 156.9 | 0 | 0 | 0 | 119.1 | | |
| 1378 | R | 35.1 | Very low | 33.9 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | 68.2 | 139.9 | 134.4 | -58.5 | 178.4 | -170.5 | 169.3 | 3.8 | 116.8 | | |
| 1379 | T | 33.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | | | | -147.4 | 136 | 51.2 | 35.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1380 | H | 37.6 | Very low | 34.4 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | 57.6 | 139 | 142 | -56.1 | -45.9 | 0 | 0 | 0 | 121.3 | | |
| 1381 | S | 32.3 | Very low | 34.4 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | | | cis | -168.1 | 160.2 | -6.6 | -102.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1382 | C | 34.8 | Very low | 34.9 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | | | trans | 69.9 | 145.2 | 164.2 | -68.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1383 | S | 34.9 | Very low | 34.9 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | | | cis | -168.4 | 132 | -17.4 | -108.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1384 | R | 37 | Very low | 35.1 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 74% | 0.741 | S | S | * | * | | | trans | 62.7 | 133 | 156.6 | -54.3 | 159.5 | 105 | 158.8 | 2.6 | 117.6 | | |
| 1385 | G | 36.9 | Very low | 35.2 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | cis | 155.1 | 167.2 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1386 | K | 41.1 | Very low | 35.3 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | | | trans | 76.7 | 115.6 | -177.6 | -51 | 171.8 | -177.2 | 175.8 | 0 | 113.4 | | |
| 1387 | S | 33 | Very low | 35.5 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | 86.3 | 114.7 | 34.6 | -171.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1388 | R | 38.2 | Very low | 35.7 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | | -175.5 | 148 | 100.9 | -92.4 | -168.6 | -109.5 | -154 | -2.1 | 113.8 | | |
| 1389 | Y | 37.2 | Very low | 35.4 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | trans | 8.9 | 145.7 | 151.6 | -52.7 | -111.2 | 0 | 0 | 0 | 119.5 | | |
| 1390 | Y | 38.6 | Very low | 35.7 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | cis | -153.1 | 160.4 | 45.1 | -96.2 | -84.8 | 0 | 0 | 0 | 114.1 | | |
| 1391 | S | 30.9 | Very low | 35.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -119 | 118.1 | 173.3 | -55.3 | 0 | 0 | 0 | 0 | 112 | | |
| 1392 | H | 40.1 | Very low | 35.6 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -148.1 | 146.4 | 156 | -64.2 | -75.8 | 0 | 0 | 0 | 107.6 | | |
| 1393 | G | 32.6 | Very low | 35.8 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | cis | 141.6 | 117.1 | -7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1394 | S | 31.5 | Very low | 35.6 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | 71.4 | 146.9 | 164.4 | -51.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1395 | A | 34.8 | Very low | 35.2 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | 64.5 | 146.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1396 | S | 35.6 | Very low | 34.7 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | cis | -161.1 | 160.7 | -16.3 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | P1398 | S1396-P1398 WeakPolarHBondContact O-CD 3.47Š|
| 1397 | V | 36.5 | Very low | 34 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | -56.5 | 137.1 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1398 | P | 38.5 | Very low | 33.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | | -127.3 | 143.4 | 119.7 | 36 | -31.2 | 0 | 0 | 0 | 112.2 | S1396 | S1396-P1398 WeakPolarHBondContact O-CD 3.47Š|
| 1399 | D | 27.1 | Very low | 33.1 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -66.4 | 139.2 | 167.8 | -65.6 | -69.3 | 0 | 0 | 0 | 111.5 | A1401 | D1399-A1401 VanDerWaalsContact O-CB 3.24Å; D1399-A1401 WeakPolarHBondContact O-CB 3.35Å |
| 1400 | P | 41.4 | Very low | 32.7 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | -85.6 | 87.3 | 147.8 | 32.4 | -24.5 | 0 | 0 | 0 | 107.4 | | |
| 1401 | A | 30.1 | Very low | 32.1 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | | | | 49.3 | 107.8 | 63.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1399 | D1399-A1401 VanDerWaalsContact O-CB 3.24Å; D1399-A1401 WeakPolarHBondContact O-CB 3.35Å |
| 1402 | S | 37.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -65.3 | 125.9 | -174.2 | -179.8 | 0 | 0 | 0 | 0 | 113.3 | V1404 | S1402-V1404 PolarHBondContact O-N 2.97Å; S1402-V1404 VanDerWaalsContact O-N 3.12Å |
| 1403 | P | 39.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -85.9 | 86 | -177.7 | 33.3 | -34 | 0 | 0 | 0 | 113.3 | | |
| 1404 | V | 30.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | | 45.1 | 104.1 | 128.6 | -176.4 | 0 | 0 | 0 | 0 | 118.5 | S1402 S1406 | S1402-V1404 PolarHBondContact O-N 2.97Å; S1402-V1404 VanDerWaalsContact O-N 3.12Å; V1404-S1406 VanDerWaalsContact CG1-OG 3.29Å; V1404-S1406 WeakPolarHBondContact CG1-OG 3.38Å; V1404-S1406 PolarHBondContact O-N 2.9Å |
| 1405 | R | 28.5 | Very low | 31.3 | Very low | 234 Ų | 234 | 122.8 Ų | 122.8 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | | | trans | -61.6 | 72.4 | 162.2 | -175.2 | -163.7 | -164.4 | -107.1 | 9.9 | 114.1 | | |
| 1406 | S | 26.1 | Very low | 31.2 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 56% | 0.559 | 75% | 0.747 | S | S | * | * | | | trans | -168.7 | 155.5 | 167.8 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | V1404 | V1404-S1406 VanDerWaalsContact CG1-OG 3.29Å; V1404-S1406 WeakPolarHBondContact CG1-OG 3.38Å; V1404-S1406 PolarHBondContact O-N 2.9Å |
| 1407 | W | 26.2 | Very low | 30.9 | Very low | 229 Ų | 229 | 126 Ų | 126 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | | | cis | -169.3 | -173.4 | -12.6 | -105.9 | 9.5 | 0 | 0 | 0 | 106.7 | | |
| 1408 | S | 27 | Very low | 30.9 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | | | trans | 72.1 | 112.2 | 163.7 | -50 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1409 | S | 26.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | | | cis | 58.3 | 89.2 | 41.4 | -46.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1410 | I | 29.2 | Very low | 30.9 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | -133.1 | 73.7 | 160.6 | -48 | -179.7 | 0 | 0 | 0 | 109.5 | S1412 | I1410-S1412 VanDerWaalsContact C-N 3.32Å; I1410-S1412 VanDerWaalsContact CG2-O 3.24Å; I1410-S1412 WeakPolarHBondContact CG2-O 3.47Å |
| 1411 | S | 25.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | | | trans | -99.4 | 61.6 | 164.1 | -165.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1412 | S | 30.1 | Very low | 30.9 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | trans | -169.4 | 105.1 | 170.2 | 52.6 | 0 | 0 | 0 | 0 | 104.3 | I1410 | I1410-S1412 VanDerWaalsContact C-N 3.32Å; I1410-S1412 VanDerWaalsContact CG2-O 3.24Å; I1410-S1412 WeakPolarHBondContact CG2-O 3.47Å |
| 1413 | G | 29.7 | Very low | 30.8 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | | | | 93.3 | 161.8 | 53.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 1414 | T | 29.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | trans | 62.5 | 132.1 | -169.4 | 15.8 | 0 | 0 | 0 | 0 | 113 | | |
| 1415 | E | 28.8 | Very low | 31.1 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | | | cis | -167.2 | 152.5 | -11 | -133.1 | 169.7 | -154.8 | 0 | 0 | 109.5 | | |
| 1416 | H | 32.7 | Very low | 31.4 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | | | trans | 63.8 | 162.4 | 159.2 | -60 | -35.3 | 0 | 0 | 0 | 117.6 | | |
| 1417 | S | 29.4 | Very low | 31.9 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | | | cis | -160.8 | -173.8 | -26.9 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1418 | L | 35.1 | Very low | 32.5 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | | | trans | 62.8 | 74.4 | 168.2 | -49.5 | -178.1 | 0 | 0 | 0 | 115.2 | | |
| 1419 | T | 30.5 | Very low | 32.9 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | | | | 59.6 | 110.9 | 78.5 | -53.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1420 | N | 36.1 | Very low | 33.3 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 92% | 0.92 | 69% | 0.69 | S | S | * | * | | | trans | -141 | 151.3 | 141.4 | -110.8 | -38.7 | 0 | 0 | 0 | 110.3 | | |
| 1421 | R | 33.8 | Very low | 33.7 | Very low | 198 Ų | 198 | 125.5 Ų | 125.5 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | | | trans | -98.5 | 150.1 | -168 | -74.3 | 172.2 | 167.8 | 174.6 | -1.9 | 112.9 | I1423 | R1421-I1423 HydrophobicContact CB-CD1 4Å; R1421-I1423 HydrophobicContact CB-CG1 4.18Å; R1421-I1423 HydrophobicContact CG-CD1 3.99Å; R1421-I1423 HydrophobicContact CG-CG1 4.44Å |
| 1422 | I | 36.3 | Very low | 34.2 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | | | trans | 173.1 | 85 | 130.7 | -82.6 | 146.8 | 0 | 0 | 0 | 105.4 | | |
| 1423 | I | 37.2 | Very low | 34.4 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 39% | 0.385 | 68% | 0.677 | S | S | . | * | | | | 70.9 | 99.1 | 69.6 | -58.5 | -173.5 | 0 | 0 | 0 | 113.7 | I415 T416 R1421 | I415-I1423 CarbonylContact C-O 2.98Å; I415-I1423 WeakPolarHBondContact O-CG2 3.44Å; T416-I1423 PolarHBondContact N-O 3.17Å; R1421-I1423 HydrophobicContact CB-CD1 4Å; R1421-I1423 HydrophobicContact CB-CG1 4.18Å; R1421-I1423 HydrophobicContact CG-CD1 3.99Å; R1421-I1423 HydrophobicContact CG-CG1 4.44Å |
| 1424 | C | 35.9 | Very low | 34.7 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 58% | 0.581 | 69% | 0.688 | S | S | * | * | | | trans | -139.4 | 126.7 | 172.3 | -77.1 | 0 | 0 | 0 | 0 | 112.2 | T416 | T416-C1424 HydrophobicContact CG2-CB 3.47Å; T416-C1424 VanDerWaalsContact CG2-CB 3.47Å |
| 1425 | K | 39 | Very low | 34.9 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 28% | 0.283 | 69% | 0.685 | S | S | . | * | | | trans | -105.1 | 147.9 | 173.5 | -92.1 | -179.8 | -160.5 | 100.9 | 0 | 110.2 | K413 R414 I415 T416 | K413-K1425 PolarHBondContact O-NZ 2.8Å; R414-K1425 HydrophobicContact CB-CB 4.44Å; R414-K1425 HydrophobicContact CB-CD 4.29Å; R414-K1425 HydrophobicContact CB-CG 3.38Å; R414-K1425 HydrophobicContact CG-CB 3.98Å; R414-K1425 HydrophobicContact CG-CG 3.29Å; R414-K1425 PolarHBondContact O-NZ 2.62Å; I415-K1425 HydrophobicContact CB-CB 3.83Å; I415-K1425 HydrophobicContact CB-CD 3.7Å; I415-K1425 HydrophobicContact CB-CG 3.84Å; I415-K1425 HydrophobicContact CD1-CD 4.04Å; I415-K1425 HydrophobicContact CG1-CB 3.85Å; I415-K1425 HydrophobicContact CG1-CD 3.97Å; I415-K1425 HydrophobicContact CG1-CG 4.26Å; I415-K1425 VanDerWaalsContact N-CG 3.3Å; T416-K1425 WeakPolarHBondContact CG2-O 3.46Å; T416-K1425 PolarHBondContact OG1-N 3.48Å; T416-K1425 PolarHBondContact OG1-O 3.13Å |
| 1426 | S | 35.1 | Very low | 35.2 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | | | | -149.8 | 147.7 | 119.8 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | R414 | R414-S1426 VanDerWaalsContact NH1-C 3.25Å; R414-S1426 PolarHBondContact NH1-O 3.24Å; R414-S1426 PolarHBondContact NH2-O 2.83Å |
| 1427 | R | 36.9 | Very low | 35.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 38% | 0.377 | 68% | 0.681 | S | S | . | * | | | trans | -140.1 | 143 | -174.4 | -134.1 | -176.5 | -148 | -179.4 | 22.1 | 111.5 | D412 R414 Q1429 | D412-R1427 VanDerWaalsContact CG-NH2 3.33Å; D412-R1427 IonicContact OD1-NH2 2.97Å; D412-R1427 PolarHBondContact OD1-NH2 3.1Å; D412-R1427 IonicContact OD2-CZ 2.7Å; D412-R1427 IonicContact OD2-NH1 3.35Å; D412-R1427 PolarHBondContact OD2-NH1 3.22Å; D412-R1427 IonicContact OD2-NH2 2.69Å; D412-R1427 PolarHBondContact OD2-NH2 3.16Å; R414-R1427 VanDerWaalsContact NH1-CB 3.26Å; R1427-Q1429 VanDerWaalsContact CD-OE1 3.3Å; R1427-Q1429 HydrophobicContact CG-CB 4.13Å |
| 1428 | K | 37.4 | Very low | 35.3 | Very low | 209 Ų | 209 | 130.8 Ų | 130.8 | 91% | 0.909 | 69% | 0.69 | S | S | * | * | | | trans | -165.1 | 122.4 | 132.6 | -88.9 | 162.4 | -176.4 | -172.3 | 0 | 102 | | |
| 1429 | Q | 37.2 | Very low | 35.4 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 49% | 0.486 | 68% | 0.684 | S | S | . | * | | | cis | 63.8 | 93.1 | 20.5 | -136.1 | -172.6 | -3.2 | 0 | 0 | 114.6 | R1427 N1431 | R1427-Q1429 VanDerWaalsContact CD-OE1 3.3Å; R1427-Q1429 HydrophobicContact CG-CB 4.13Å; Q1429-N1431 HydrophobicContact CG-CB 4.2Å |
| 1430 | L | 33.8 | Very low | 35.4 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 68% | 0.676 | S | S | * | * | | | trans | -107.7 | 148.2 | 136.8 | -100.1 | 162.1 | 0 | 0 | 0 | 107.1 | | |
| 1431 | N | 37.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 54% | 0.54 | 67% | 0.668 | S | S | . | * | | | trans | -167.6 | 95.1 | -168.5 | 178.5 | 119 | 0 | 0 | 0 | 108.6 | Q1429 | Q1429-N1431 HydrophobicContact CG-CB 4.2Š|
| 1432 | D | 37.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 67% | 0.666 | S | S | * | * | | | trans | -96.6 | 131.8 | 173 | -66.8 | -45.7 | 0 | 0 | 0 | 110.7 | | |
| 1433 | Q | 34.5 | Very low | 35.1 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | | | trans | -95.1 | 151.9 | 172.5 | -73 | 171.9 | -113.9 | 0 | 0 | 109.6 | D1435 | Q1433-D1435 PolarHBondContact NE2-OD2 3.02Š|
| 1434 | T | 35 | Very low | 35.1 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 87% | 0.871 | 68% | 0.678 | S | S | * | * | | | trans | -138.4 | 111.8 | 145.4 | -38.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1435 | D | 33.7 | Very low | 34.7 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | | | trans | -94.5 | 123.2 | 177.9 | -86.9 | -75.5 | 0 | 0 | 0 | 111.3 | Q1433 | Q1433-D1435 PolarHBondContact NE2-OD2 3.02Š|
| 1436 | S | 36.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | | | trans | -165.7 | 136.4 | 156.2 | 50.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1437 | G | 30.5 | Very low | 34.3 | Very low | 63 Ų | 63 | 141.3 Ų | 141.3 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | | | cis | 80.6 | 110.2 | 49.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1438 | F | 33.8 | Very low | 34.1 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | | | | -158.2 | 151.4 | 55.6 | -106.7 | -115.7 | 0 | 0 | 0 | 113.6 | | |
| 1439 | I | 36.9 | Very low | 33.8 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 65% | 0.651 | 73% | 0.727 | S | S | * | * | | | trans | 31.4 | 111.5 | 132.7 | -59.2 | -171 | 0 | 0 | 0 | 117.2 | | |
| 1440 | E | 30.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 54% | 0.542 | 73% | 0.734 | S | S | . | * | | | | 79.8 | 116.1 | 63.1 | 175.3 | 178.6 | -128.5 | 0 | 0 | 116.2 | R1442 | E1440-R1442 HydrophobicContact CG-CG 4.27Å; E1440-R1442 IonicContact OE1-CZ 3.1Å; E1440-R1442 IonicContact OE1-NE 3.87Å; E1440-R1442 PolarHBondContact OE1-NE 3.17Å; E1440-R1442 IonicContact OE1-NH2 2.68Å; E1440-R1442 PolarHBondContact OE1-NH2 2.98Å; E1440-R1442 IonicContact OE2-NH2 4Å |
| 1441 | T | 35.7 | Very low | 33.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | trans | -176.3 | 119.4 | 137.9 | 13.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1442 | R | 29.6 | Very low | 33.2 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | | 65.9 | 150.4 | 55.4 | -61.9 | -157.5 | -159 | -172.9 | 15.7 | 114.6 | E1440 | E1440-R1442 HydrophobicContact CG-CG 4.27Å; E1440-R1442 IonicContact OE1-CZ 3.1Å; E1440-R1442 IonicContact OE1-NE 3.87Å; E1440-R1442 PolarHBondContact OE1-NE 3.17Å; E1440-R1442 IonicContact OE1-NH2 2.68Å; E1440-R1442 PolarHBondContact OE1-NH2 2.98Å; E1440-R1442 IonicContact OE2-NH2 4Å |
| 1443 | Y | 34.4 | Very low | 33.1 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | 89.5 | 138 | 172.6 | -64.8 | -89.8 | 0 | 0 | 0 | 118.5 | | |
| 1444 | L | 37.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | | | cis | -160.6 | 113.6 | -38.8 | -118.3 | -165.3 | 0 | 0 | 0 | 110 | | |
| 1445 | M | 28.9 | Very low | 33.4 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | | | trans | 5.6 | 114.6 | 136.6 | -179 | -178.4 | -176.3 | 0 | 0 | 119.5 | | |
| 1446 | K | 34.6 | Very low | 33.3 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | | | trans | -167.8 | 133 | 142.6 | -95.7 | 143.3 | -175.8 | -179 | 0 | 108.1 | | |
| 1447 | T | 29.7 | Very low | 33 | Very low | 110 Ų | 110 | 142 Ų | 142 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | 97.7 | 137.3 | 38.8 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1448 | L | 33.4 | Very low | 33.3 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | trans | 73.1 | 131.3 | -175.4 | -44 | 177.1 | 0 | 0 | 0 | 113.5 | | |
| 1449 | N | 30.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | cis | 96 | 141 | 20 | -157.7 | 28.5 | 0 | 0 | 0 | 115.4 | | |
| 1450 | T | 32.7 | Very low | 33.2 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | | | trans | 71.5 | 115.4 | 174.1 | 55.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1451 | N | 31 | Very low | 33.6 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | | 71.5 | 103.8 | 128.7 | -56.3 | -11 | 0 | 0 | 0 | 124.7 | | |
| 1452 | K | 32.1 | Very low | 33.7 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | trans | 60.1 | -174 | 148.9 | -63.6 | -169.3 | 173.9 | -176 | 0 | 116.1 | | |
| 1453 | P | 35.2 | Very low | 34 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | | -121.8 | -160.3 | -78.4 | 40.6 | -26.6 | 0 | 0 | 0 | 113.6 | | |
| 1454 | L | 37.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | | | trans | -35 | 157.9 | 165.8 | -99.2 | 71.9 | 0 | 0 | 0 | 115.6 | | |
| 1455 | P | 37.5 | Very low | 34 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | cis | -146.8 | 175 | 40 | 42.1 | -22.1 | 0 | 0 | 0 | 120.2 | | |
| 1456 | Q | 31.6 | Very low | 34.2 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | | | trans | -9.4 | 154.6 | 151.6 | -56.8 | 162.5 | -41.4 | 0 | 0 | 121.2 | | |
| 1457 | G | 30.6 | Very low | 34 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | trans | 159.7 | 119.3 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1458 | S | 36.4 | Very low | 33.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | | | trans | 66.8 | 146.2 | 154.3 | -57.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1459 | S | 35 | Very low | 33.7 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | cis | -161.7 | 156.5 | -14.4 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1460 | S | 34.1 | Very low | 33.6 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | | | trans | 37.3 | 138.8 | 145.6 | 61.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1461 | T | 38.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | | | cis | -175.5 | 178.6 | 21.7 | 7.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1462 | Y | 37.5 | Very low | 33.4 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | cis | -141 | 146.8 | 11.7 | -121.4 | -73.6 | 0 | 0 | 0 | 110 | | |
| 1463 | L | 36.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | | | trans | 5.6 | 154.7 | 161.1 | -61 | 174.1 | 0 | 0 | 0 | 121.5 | | |
| 1464 | E | 36.4 | Very low | 33.1 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | | | cis | -147.7 | 132.5 | 21.5 | -164.7 | 124.9 | -167.2 | 0 | 0 | 115.9 | | |
| 1465 | N | 34.5 | Very low | 32.9 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 47% | 0.465 | 71% | 0.71 | S | S | . | * | | | trans | 37.8 | 123.3 | 144.7 | -70.9 | -40.2 | 0 | 0 | 0 | 123.5 | | |
| 1466 | K | 33.3 | Very low | 32.6 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | | | | 69 | 116.3 | 123.6 | -64.2 | 168.8 | -168 | 147.5 | 0 | 117.3 | | |
| 1467 | S | 29.4 | Very low | 32.6 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | | | cis | 58.5 | 135.2 | 38.9 | -41.3 | 0 | 0 | 0 | 0 | 114 | | |
| 1468 | D | 28.4 | Very low | 32.6 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | 68.1 | 147.3 | 167.7 | -55.4 | -28.3 | 0 | 0 | 0 | 114.4 | | |
| 1469 | H | 29.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 61% | 0.606 | 70% | 0.699 | S | S | * | * | | | cis | -163.3 | 173.2 | -1.3 | -142.2 | -96.8 | 0 | 0 | 0 | 108.8 | | |
| 1470 | F | 28.3 | Very low | 32.1 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | | | trans | 70.1 | 154.3 | 154.2 | -67.2 | -53.8 | 0 | 0 | 0 | 122.5 | | |
| 1471 | L | 31.6 | Very low | 32 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 71% | 0.707 | 71% | 0.706 | S | S | * | * | | | trans | 44.7 | 115.1 | 145.9 | -87.2 | 68 | 0 | 0 | 0 | 118.6 | | |
| 1472 | N | 28.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | | 90.9 | 148.4 | 69.8 | -88.2 | 11.3 | 0 | 0 | 0 | 112.5 | | |
| 1473 | S | 31.6 | Very low | 31.4 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | 71.4 | 123 | 173.3 | -132.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1474 | Y | 29.1 | Very low | 31.3 | Very low | 199 Ų | 199 | 140 Ų | 140 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | | | | 51.1 | 130.2 | 53.4 | -62.2 | -83.9 | 0 | 0 | 0 | 111.7 | | |
| 1475 | D | 31.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | | | cis | -150.1 | 168.3 | 27.8 | -134.1 | -28.3 | 0 | 0 | 0 | 116 | | |
| 1476 | Y | 32.8 | Very low | 31.1 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | | | trans | -17.1 | 145.2 | 144.2 | -81.6 | -137.6 | 0 | 0 | 0 | 115 | | |
| 1477 | N | 31.5 | Very low | 31.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | | -171 | 150.7 | 86.1 | -106.3 | -72.9 | 0 | 0 | 0 | 116.9 | | |
| 1478 | R | 29.7 | Very low | 31.6 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | | | trans | 61.3 | 116.2 | 151.4 | -74.3 | 160.9 | -174.9 | -125.8 | -7.4 | 118.1 | | |
| 1479 | T | 29.1 | Very low | 32.1 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | | | cis | 67.9 | 112.9 | 49.9 | -51.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1480 | T | 32.6 | Very low | 32.5 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | | -161.9 | 142.1 | 117.5 | 23.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1481 | N | 31.5 | Very low | 32.7 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | | | trans | 67.9 | 148.1 | 155.6 | -60.7 | -15.1 | 0 | 0 | 0 | 119.1 | | |
| 1482 | L | 31.7 | Very low | 33.1 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | cis | -161.8 | 154.8 | -28.7 | -168.5 | 57.1 | 0 | 0 | 0 | 107.9 | | |
| 1483 | S | 31.2 | Very low | 33.5 | Very low | 82 Ų | 82 | 151.6 Ų | 151.6 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | | | trans | 51.9 | 123.1 | 155 | 55.3 | 0 | 0 | 0 | 0 | 121 | | |
| 1484 | Q | 34.2 | Very low | 33.4 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | | | trans | 89.6 | 133.7 | 130.4 | -78.9 | 173.6 | -49.3 | 0 | 0 | 122.2 | | |
| 1485 | Y | 32 | Very low | 33.7 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | | | trans | 68.8 | 87 | 160.5 | -64.1 | -63.4 | 0 | 0 | 0 | 120.5 | | |
| 1486 | N | 35.8 | Very low | 33.8 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | | 54.5 | 123.3 | 120.9 | -58.7 | 18.7 | 0 | 0 | 0 | 120.5 | | |
| 1487 | E | 36.3 | Very low | 33.8 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | | | trans | -1.1 | 135.2 | 132.9 | -59.7 | 170.3 | 177.7 | 0 | 0 | 116 | | |
| 1488 | D | 36.6 | Very low | 34 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | | | cis | -143 | 157.2 | 40.2 | -133 | -30 | 0 | 0 | 0 | 116.5 | | |
| 1489 | I | 39.4 | Very low | 34 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | | | trans | -100.5 | 96.8 | -176.3 | -65.2 | 176.9 | 0 | 0 | 0 | 112.3 | | |
| 1490 | K | 36.5 | Very low | 34 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 70% | 0.7 | 73% | 0.731 | S | S | * | * | | | | 16.4 | 129.5 | 120.8 | -91.4 | 172.2 | 173.5 | 164.3 | 0 | 120.1 | | |
| 1491 | F | 33.9 | Very low | 34 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | | | | 92.2 | 129.5 | 127.7 | -83 | -38.9 | 0 | 0 | 0 | 123.4 | | |
| 1492 | K | 39.3 | Very low | 34.1 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 70% | 0.7 | 74% | 0.743 | S | S | * | * | | | | 98.9 | 111.4 | 123.4 | -82.3 | 169.1 | -171.5 | 175.7 | 0 | 122.3 | | |
| 1493 | K | 36.1 | Very low | 34 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | | 80.1 | 106.8 | 123 | -89.3 | -157.5 | 162.5 | -160.8 | 0 | 121.6 | | |
| 1494 | S | 30.9 | Very low | 34.1 | Very low | 80 Ų | 80 | 157.5 Ų | 157.5 | 56% | 0.559 | 75% | 0.754 | S | S | * | * | | | | 46.6 | 118.5 | 110.1 | 73.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1495 | N | 35.8 | Very low | 34 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | | 175.1 | 157.8 | 105.8 | -89.4 | 36 | 0 | 0 | 0 | 105.8 | | |
| 1496 | E | 33.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 160 Ų | 160 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | | | cis | 165.5 | 176.3 | -9.5 | -169.3 | -175.9 | 164.3 | 0 | 0 | 103.9 | | |
| 1497 | I | 32.9 | Very low | 34 | Very low | 142 Ų | 142 | 161.5 Ų | 161.5 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | 76.8 | 95.9 | 162.1 | -51.8 | -175.2 | 0 | 0 | 0 | 118.1 | | |
| 1498 | D | 33.9 | Very low | 33.9 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | | 78.9 | 175.5 | 127 | -152.2 | 19 | 0 | 0 | 0 | 121.4 | | |
| 1499 | S | 29.9 | Very low | 33.5 | Very low | 89 Ų | 89 | 163 Ų | 163 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | | -132.9 | 120.4 | -126.9 | -45.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1500 | R | 30.8 | Very low | 33.1 | Very low | 237 Ų | 237 | 160.5 Ų | 160.5 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | | | trans | 176.7 | 128.9 | 136.2 | -96.4 | 150.9 | -169.2 | -142 | 0.2 | 112.2 | | |
| 1501 | T | 31.2 | Very low | 32.8 | Very low | 135 Ų | 135 | 159.4 Ų | 159.4 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | 48.8 | 75.6 | 150 | -40.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1502 | Y | 33.2 | Very low | 33 | Very low | 228 Ų | 228 | 158.7 Ų | 158.7 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | -146.2 | 150.9 | 163.4 | -118.9 | -82.5 | 0 | 0 | 0 | 113.6 | | |
| 1503 | T | 31.1 | Very low | 32.6 | Very low | 125 Ų | 125 | 160.2 Ų | 160.2 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | trans | -94.2 | 132.4 | -174.1 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1504 | R | 32.7 | Very low | 32.7 | Very low | 211 Ų | 211 | 157.7 Ų | 157.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | -164.3 | 146.9 | 158.4 | -124.3 | 172 | -175.7 | -113.3 | 6.8 | 117.2 | | |
| 1505 | R | 31.6 | Very low | 33.2 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | | | trans | -30.3 | 146.8 | 164 | -64.1 | 166.6 | -117.2 | 171.6 | -8.3 | 116.5 | | |
| 1506 | K | 36.3 | Very low | 33.3 | Very low | 213 Ų | 213 | 157 Ų | 157 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | | | trans | -127.1 | 144.9 | 136.3 | -80.2 | -165.9 | 174.9 | -176.3 | 0 | 110.3 | | |
| 1507 | H | 32.2 | Very low | 33.3 | Very low | 170 Ų | 170 | 156 Ų | 156 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | | | trans | -99.8 | 143.3 | 161.4 | -64.8 | -88.7 | 0 | 0 | 0 | 108.4 | | |
| 1508 | S | 33.7 | Very low | 33.5 | Very low | 127 Ų | 127 | 157 Ų | 157 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | -145.7 | 136.9 | 142 | -82 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1509 | R | 28.4 | Very low | 33.4 | Very low | 236 Ų | 236 | 158.7 Ų | 158.7 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | | | trans | -95.5 | 133.2 | 168.2 | -78.3 | 176.6 | 167 | 166.8 | -9 | 108.5 | | |
| 1510 | S | 32.1 | Very low | 33.8 | Very low | 106 Ų | 106 | 158.8 Ų | 158.8 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | -117.2 | 147.1 | 142.9 | 48.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1511 | N | 28.7 | Very low | 34.1 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | trans | -100.6 | 115.7 | 177.8 | -61.9 | -16.4 | 0 | 0 | 0 | 108 | | |
| 1512 | D | 38.5 | Very low | 34.7 | Very low | 141 Ų | 141 | 150 Ų | 150 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | trans | -132.3 | 139.8 | 154 | -67.2 | -67.2 | 0 | 0 | 0 | 105.6 | | |
| 1513 | Q | 31.6 | Very low | 35.5 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | | | trans | -128 | 56.2 | -158.5 | -162.9 | -178.4 | -60.9 | 0 | 0 | 111.5 | | |
| 1514 | D | 38 | Very low | 36.8 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | | | trans | -71.6 | 131.2 | 178.4 | -58.8 | -52.1 | 0 | 0 | 0 | 111.6 | | |
| 1515 | D | 40.4 | Very low | 38 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 48% | 0.481 | 67% | 0.674 | S | S | . | * | | | trans | -80.1 | 119.4 | -175.5 | -165.9 | -34.2 | 0 | 0 | 0 | 111.1 | Q1517 K1518 | D1515-Q1517 PolarHBondContact O-N 3.31Å; D1515-Q1517 VanDerWaalsContact O-N 3.14Å; D1515-Q1517 WeakPolarHBondContact OD1-CB 3.47Å; D1515-Q1517 PolarHBondContact OD1-N 2.87Å; D1515-K1518 PolarHBondContact O-N 3.35Å |
| 1516 | P | 37.6 | Very low | 39.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -66.7 | -10.4 | 179.1 | 29.5 | -36.5 | 0 | 0 | 0 | 114.2 | | |
| 1517 | Q | 35.5 | Very low | 40.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -75.4 | -22.7 | 174.3 | -61.7 | -167.1 | -109.1 | 0 | 0 | 112.8 | D1515 Y1519 | D1515-Q1517 PolarHBondContact O-N 3.31Å; D1515-Q1517 VanDerWaalsContact O-N 3.14Å; D1515-Q1517 WeakPolarHBondContact OD1-CB 3.47Å; D1515-Q1517 PolarHBondContact OD1-N 2.87Å; Q1517-Y1519 VanDerWaalsContact C-N 3.31Å; Q1517-Y1519 PolarHBondContact O-N 2.95Å |
| 1518 | K | 35.2 | Very low | 42.4 | Very low | 164 Ų | 164 | 116.9 Ų | 116.9 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -80.1 | -1.6 | -170 | -136.9 | -165.4 | -179.7 | -152.9 | 0 | 116 | D1515 | D1515-K1518 PolarHBondContact O-N 3.35Š|
| 1519 | Y | 33 | Very low | 44.1 | Very low | 181 Ų | 181 | 114 Ų | 114 | 71% | 0.71 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -111.2 | 21.8 | -172.9 | -73.2 | -77.6 | 0 | 0 | 0 | 113.9 | Q1517 | Q1517-Y1519 VanDerWaalsContact C-N 3.31Å; Q1517-Y1519 PolarHBondContact O-N 2.95Å |
| 1520 | L | 37.8 | Very low | 46.1 | Very low | 90 Ų | 90 | 105.9 Ų | 105.9 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -143 | 2.1 | -169.9 | -141 | 85 | 0 | 0 | 0 | 116.4 | Y1688 | L1520-Y1688 WeakPolarHBondContact CD1-OH 3Å; L1520-Y1688 HydrophobicContact CD2-CD2 4.38Å; L1520-Y1688 HydrophobicContact CD2-CE2 3.46Å; L1520-Y1688 VanDerWaalsContact CD2-CE2 3.46Å |
| 1521 | T | 37 | Very low | 47.8 | Very low | 64 Ų | 64 | 103.2 Ų | 103.2 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | | | trans | -92.8 | -0.4 | -165.7 | 48.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1522 | T | 43.2 | Very low | 49.8 | Very low | 125 Ų | 125 | 98.1 Ų | 98.1 | 77% | 0.767 | 51% | 0.509 | S | S | * | . | | | trans | -116.6 | 39.4 | -172.2 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1523 | L | 50.6 | Low | 51.3 | Low | 88 Ų | 88 | 93.7 Ų | 93.7 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | | | trans | -103.6 | 98.2 | 158.8 | -88.7 | 160.8 | 0 | 0 | 0 | 108.3 | Y1687 | L1523-Y1687 HydrophobicContact CB-CE1 4.36Å; L1523-Y1687 HydrophobicContact CB-CE2 4.36Å; L1523-Y1687 HydrophobicContact CD1-CE1 3.88Å |
| 1524 | D | 58.8 | Low | 53 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | | | trans | -65.9 | 162.8 | 178.7 | 59.4 | 57.3 | 0 | 0 | 0 | 112.8 | E1526 S1527 Y1528 | D1524-E1526 PolarHBondContact O-N 3.19Å; D1524-E1526 PolarHBondContact OD1-N 2.83Å; D1524-S1527 PolarHBondContact O-N 3.42Å; D1524-S1527 WeakPolarHBondContact OD1-CB 3.37Å; D1524-S1527 PolarHBondContact OD1-N 2.95Å; D1524-S1527 PolarHBondContact OD1-OG 3.16Å; D1524-S1527 PolarHBondContact OD2-OG 3.28Å; D1524-Y1528 PolarHBondContact O-N 3.1Å |
| 1525 | A | 58.5 | Low | 54.3 | Low | 45 Ų | 45 | 83.8 Ų | 83.8 | 37% | 0.372 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -27.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1529 L1670 | A1525-Q1529 VanDerWaalsContact O-CG 3.27Å; A1525-Q1529 WeakPolarHBondContact O-CG 3.44Å; A1525-Q1529 PolarHBondContact O-N 3.23Å; A1525-L1670 HydrophobicContact CB-CD1 4.01Å |
| 1526 | E | 62.8 | Low | 55.8 | Low | 154 Ų | 154 | 81.2 Ų | 81.2 | 72% | 0.72 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -75 | -41.4 | -178.5 | -174.2 | 164.1 | -163.7 | 0 | 0 | 111.6 | D1524 Y1528 Q1529 T1530 | D1524-E1526 PolarHBondContact O-N 3.19Å; D1524-E1526 PolarHBondContact OD1-N 2.83Å; E1526-Y1528 VanDerWaalsContact C-N 3.32Å; E1526-Y1528 PolarHBondContact O-N 3.24Å; E1526-Q1529 PolarHBondContact O-N 2.92Å; E1526-T1530 VanDerWaalsContact O-CB 3.24Å; E1526-T1530 WeakPolarHBondContact O-CB 3.48Å; E1526-T1530 PolarHBondContact O-N 3.32Å; E1526-T1530 PolarHBondContact O-OG1 3.45Å |
| 1527 | S | 64.9 | Low | 57.3 | Low | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 170.4 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | D1524 W1531 | D1524-S1527 PolarHBondContact O-N 3.42Å; D1524-S1527 WeakPolarHBondContact OD1-CB 3.37Å; D1524-S1527 PolarHBondContact OD1-N 2.95Å; D1524-S1527 PolarHBondContact OD1-OG 3.16Å; D1524-S1527 PolarHBondContact OD2-OG 3.28Å; S1527-W1531 WeakPolarHBondContact O-CB 3.45Å; S1527-W1531 PolarHBondContact O-N 2.9Å |
| 1528 | Y | 63.9 | Low | 59 | Low | 7 Ų | 7 | 78.3 Ų | 78.3 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66 | -48.1 | 175.5 | 172.8 | -98.2 | 0 | 0 | 0 | 112.7 | D1524 E1526 T1530 W1531 V1532 L1670 Y1687 L1690 | D1524-Y1528 PolarHBondContact O-N 3.1Å; E1526-Y1528 VanDerWaalsContact C-N 3.32Å; E1526-Y1528 PolarHBondContact O-N 3.24Å; Y1528-T1530 VanDerWaalsContact C-N 3.33Å; Y1528-T1530 PolarHBondContact O-N 3.31Å; Y1528-W1531 HydrophobicContact CD2-CE3 4.37Å; Y1528-W1531 HydrophobicContact CE2-CE3 4.23Å; Y1528-W1531 HydrophobicContact CE2-CZ3 4.3Å; Y1528-W1531 PolarHBondContact O-N 2.69Å; Y1528-V1532 HydrophobicContact CD1-CG2 4.43Å; Y1528-V1532 HydrophobicContact CD2-CG2 4.37Å; Y1528-V1532 HydrophobicContact CE1-CG2 3.81Å; Y1528-V1532 HydrophobicContact CE2-CG2 3.74Å; Y1528-V1532 WeakPolarHBondContact O-CG2 3.12Å; Y1528-V1532 PolarHBondContact O-N 3.22Å; Y1528-V1532 WeakPolarHBondContact OH-CG2 3.48Å; Y1528-L1670 HydrophobicContact CD1-CD1 4.06Å; Y1528-Y1687 HydrophobicContact CD2-CD2 4.4Å; Y1528-Y1687 AromaticContact CD2-CE2 3.71Å; Y1528-Y1687 HydrophobicContact CD2-CE2 3.71Å; Y1528-Y1687 AromaticContact CD2-CZ 3.97Å; Y1528-Y1687 AromaticContact CG-CE2 3.91Å; Y1528-Y1687 HydrophobicContact CG-CE2 3.91Å; Y1528-L1690 HydrophobicContact CE1-CD1 4.44Å; Y1528-L1690 HydrophobicContact CE2-CB 4.02Å; Y1528-L1690 WeakPolarHBondContact OH-CB 3.37Å |
| 1529 | Q | 68.5 | Low | 60.8 | Low | 67 Ų | 67 | 70.5 Ų | 70.5 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.1 | -66.6 | -69 | -10.5 | 0 | 0 | 111.4 | A1525 E1526 W1531 V1532 A1533 F1668 | A1525-Q1529 VanDerWaalsContact O-CG 3.27Å; A1525-Q1529 WeakPolarHBondContact O-CG 3.44Å; A1525-Q1529 PolarHBondContact O-N 3.23Å; E1526-Q1529 PolarHBondContact O-N 2.92Å; Q1529-W1531 VanDerWaalsContact C-N 3.33Å; Q1529-W1531 PolarHBondContact O-N 3.34Å; Q1529-V1532 PolarHBondContact O-N 3.16Å; Q1529-A1533 WeakPolarHBondContact O-CB 2.77Å; Q1529-A1533 PolarHBondContact O-N 3.31Å; Q1529-F1668 PolarHBondContact NE2-O 2.88Å; Q1529-F1668 VanDerWaalsContact NE2-O 3.12Å |
| 1530 | T | 70.6 | Confident | 62.6 | Low | 66 Ų | 66 | 67.9 Ų | 67.9 | 41% | 0.405 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | E1526 Y1528 A1533 R1534 | E1526-T1530 VanDerWaalsContact O-CB 3.24Å; E1526-T1530 WeakPolarHBondContact O-CB 3.48Å; E1526-T1530 PolarHBondContact O-N 3.32Å; E1526-T1530 PolarHBondContact O-OG1 3.45Å; Y1528-T1530 VanDerWaalsContact C-N 3.33Å; Y1528-T1530 PolarHBondContact O-N 3.31Å; T1530-A1533 PolarHBondContact O-N 2.84Å; T1530-R1534 WeakPolarHBondContact O-CG 3.44Å; T1530-R1534 PolarHBondContact O-N 2.98Å |
| 1531 | W | 68.9 | Low | 64.4 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 175.7 | 179.4 | 79.5 | 0 | 0 | 0 | 112.2 | S1527 Y1528 Q1529 A1533 R1534 M1535 M1691 T1694 I1695 | S1527-W1531 WeakPolarHBondContact O-CB 3.45Å; S1527-W1531 PolarHBondContact O-N 2.9Å; Y1528-W1531 HydrophobicContact CD2-CE3 4.37Å; Y1528-W1531 HydrophobicContact CE2-CE3 4.23Å; Y1528-W1531 HydrophobicContact CE2-CZ3 4.3Å; Y1528-W1531 PolarHBondContact O-N 2.69Å; Q1529-W1531 VanDerWaalsContact C-N 3.33Å; Q1529-W1531 PolarHBondContact O-N 3.34Å; W1531-A1533 VanDerWaalsContact C-N 3.32Å; W1531-A1533 PolarHBondContact O-N 2.97Å; W1531-R1534 PolarHBondContact O-N 2.74Å; W1531-M1535 HydrophobicContact CD2-CG 4.15Å; W1531-M1535 HydrophobicContact CG-CG 4.47Å; W1531-M1535 HydrophobicContact CH2-CE 4.45Å; W1531-M1535 HydrophobicContact CZ2-CE 3.95Å; W1531-M1535 HydrophobicContact CZ2-CG 4.14Å; W1531-M1535 HydrophobicContact CZ2-SD 4.36Å; W1531-M1535 WeakPolarHBondContact O-CB 3.38Å; W1531-M1535 WeakPolarHBondContact O-CG 3.45Å; W1531-M1535 PolarHBondContact O-N 3.35Å; W1531-M1691 HydrophobicContact CH2-CB 4.15Å; W1531-M1691 HydrophobicContact CH2-CG 3.62Å; W1531-M1691 WeakPolarHBondContact CH2-O 3.42Å; W1531-M1691 HydrophobicContact CZ2-CG 3.96Å; W1531-M1691 HydrophobicContact CZ3-CB 4.38Å; W1531-M1691 HydrophobicContact CZ3-CG 4.19Å; W1531-T1694 HydrophobicContact CH2-CG2 4.29Å; W1531-T1694 HydrophobicContact CZ3-CG2 4.21Å; W1531-T1694 WeakPolarHBondContact CZ3-OG1 3.46Å; W1531-I1695 HydrophobicContact CH2-CG1 4.18Å; W1531-I1695 HydrophobicContact CZ2-CD1 4.4Å; W1531-I1695 HydrophobicContact CZ2-CG1 3.95Å |
| 1532 | V | 70.5 | Confident | 66.1 | Low | 32 Ų | 32 | 63.4 Ų | 63.4 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | Y1528 Q1529 S1536 | Y1528-V1532 HydrophobicContact CD1-CG2 4.43Å; Y1528-V1532 HydrophobicContact CD2-CG2 4.37Å; Y1528-V1532 HydrophobicContact CE1-CG2 3.81Å; Y1528-V1532 HydrophobicContact CE2-CG2 3.74Å; Y1528-V1532 WeakPolarHBondContact O-CG2 3.12Å; Y1528-V1532 PolarHBondContact O-N 3.22Å; Y1528-V1532 WeakPolarHBondContact OH-CG2 3.48Å; Q1529-V1532 PolarHBondContact O-N 3.16Å; V1532-S1536 WeakPolarHBondContact O-CB 3.36Å; V1532-S1536 PolarHBondContact O-N 3.02Å; V1532-S1536 PolarHBondContact O-OG 3.45Å |
| 1533 | A | 70.8 | Confident | 67.5 | Low | 47 Ų | 47 | 59.4 Ų | 59.4 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -56 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1529 T1530 W1531 M1535 S1536 E1537 | Q1529-A1533 WeakPolarHBondContact O-CB 2.77Å; Q1529-A1533 PolarHBondContact O-N 3.31Å; T1530-A1533 PolarHBondContact O-N 2.84Å; W1531-A1533 VanDerWaalsContact C-N 3.32Å; W1531-A1533 PolarHBondContact O-N 2.97Å; A1533-M1535 VanDerWaalsContact C-N 3.3Å; A1533-M1535 PolarHBondContact O-N 3.03Å; A1533-S1536 CarbonylContact O-C 3.47Å; A1533-S1536 WeakPolarHBondContact O-CA 3.38Å; A1533-S1536 WeakPolarHBondContact O-CB 3.49Å; A1533-S1536 PolarHBondContact O-N 3.27Å; A1533-E1537 WeakPolarHBondContact O-CG 3.48Å; A1533-E1537 PolarHBondContact O-N 2.84Å |
| 1534 | R | 66.5 | Low | 68.5 | Low | 92 Ų | 92 | 58.3 Ų | 58.3 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -39.1 | 178.2 | -70.7 | -173.8 | -176.2 | -158.4 | 3.8 | 112.5 | T1530 W1531 S1536 E1537 L1538 L1807 | T1530-R1534 WeakPolarHBondContact O-CG 3.44Å; T1530-R1534 PolarHBondContact O-N 2.98Å; W1531-R1534 PolarHBondContact O-N 2.74Å; R1534-S1536 VanDerWaalsContact C-N 3.3Å; R1534-S1536 PolarHBondContact O-N 2.97Å; R1534-E1537 PolarHBondContact O-N 2.85Å; R1534-L1538 WeakPolarHBondContact O-CB 3.3Å; R1534-L1538 PolarHBondContact O-N 3.07Å; R1534-L1807 PolarHBondContact NH1-O 3.08Å; R1534-L1807 PolarHBondContact NH2-O 3.19Å |
| 1535 | M | 65.2 | Low | 68.9 | Low | 24 Ų | 24 | 57.9 Ų | 57.9 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 175.2 | -70.4 | -75.8 | -76.4 | 0 | 0 | 112.4 | W1531 A1533 A1539 T1694 I1695 L1698 | W1531-M1535 HydrophobicContact CD2-CG 4.15Å; W1531-M1535 HydrophobicContact CG-CG 4.47Å; W1531-M1535 HydrophobicContact CH2-CE 4.45Å; W1531-M1535 HydrophobicContact CZ2-CE 3.95Å; W1531-M1535 HydrophobicContact CZ2-CG 4.14Å; W1531-M1535 HydrophobicContact CZ2-SD 4.36Å; W1531-M1535 WeakPolarHBondContact O-CB 3.38Å; W1531-M1535 WeakPolarHBondContact O-CG 3.45Å; W1531-M1535 PolarHBondContact O-N 3.35Å; A1533-M1535 VanDerWaalsContact C-N 3.3Å; A1533-M1535 PolarHBondContact O-N 3.03Å; M1535-A1539 WeakPolarHBondContact O-CB 3.39Å; M1535-A1539 PolarHBondContact O-N 3.42Å; M1535-A1539 VanDerWaalsContact O-N 3.16Å; M1535-T1694 HydrophobicContact CB-CG2 3.72Å; M1535-T1694 HydrophobicContact CE-CG2 4.2Å; M1535-T1694 HydrophobicContact CG-CG2 4.23Å; M1535-I1695 HydrophobicContact CE-CG1 4.36Å; M1535-L1698 HydrophobicContact CE-CB 3.8Å; M1535-L1698 HydrophobicContact CE-CD2 3.7Å; M1535-L1698 HydrophobicContact CE-CG 4.4Å; M1535-L1698 HydrophobicContact SD-CD2 3.76Å |
| 1536 | S | 71.4 | Confident | 69.3 | Low | 36 Ų | 36 | 56.1 Ų | 56.1 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75 | -41.3 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | V1532 A1533 R1534 A1539 Q1540 | V1532-S1536 WeakPolarHBondContact O-CB 3.36Å; V1532-S1536 PolarHBondContact O-N 3.02Å; V1532-S1536 PolarHBondContact O-OG 3.45Å; A1533-S1536 CarbonylContact O-C 3.47Å; A1533-S1536 WeakPolarHBondContact O-CA 3.38Å; A1533-S1536 WeakPolarHBondContact O-CB 3.49Å; A1533-S1536 PolarHBondContact O-N 3.27Å; R1534-S1536 VanDerWaalsContact C-N 3.3Å; R1534-S1536 PolarHBondContact O-N 2.97Å; S1536-A1539 PolarHBondContact O-N 3.34Å; S1536-Q1540 WeakPolarHBondContact O-CG 3.13Å; S1536-Q1540 PolarHBondContact O-N 3.15Å |
| 1537 | E | 70.5 | Confident | 69.5 | Low | 127 Ų | 127 | 56.4 Ų | 56.4 | 59% | 0.593 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.6 | -48.5 | 173.4 | -70.2 | 172.3 | 161.9 | 0 | 0 | 111.3 | A1533 R1534 A1539 Q1540 G1541 | A1533-E1537 WeakPolarHBondContact O-CG 3.48Å; A1533-E1537 PolarHBondContact O-N 2.84Å; R1534-E1537 PolarHBondContact O-N 2.85Å; E1537-A1539 VanDerWaalsContact C-N 3.3Å; E1537-A1539 PolarHBondContact O-N 2.89Å; E1537-Q1540 WeakPolarHBondContact O-CA 3.48Å; E1537-Q1540 WeakPolarHBondContact O-CB 3.47Å; E1537-Q1540 PolarHBondContact O-N 3.01Å; E1537-G1541 PolarHBondContact O-N 3.14Å |
| 1538 | L | 71.3 | Confident | 69.1 | Low | 50 Ų | 50 | 58.5 Ų | 58.5 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 178.5 | -164.1 | 153.1 | 0 | 0 | 0 | 111.3 | R1534 Q1540 G1541 L1542 L1698 | R1534-L1538 WeakPolarHBondContact O-CB 3.3Å; R1534-L1538 PolarHBondContact O-N 3.07Å; L1538-Q1540 VanDerWaalsContact C-N 3.34Å; L1538-Q1540 PolarHBondContact O-N 3.37Å; L1538-G1541 PolarHBondContact O-N 3.23Å; L1538-L1542 HydrophobicContact CD2-CD1 3.88Å; L1538-L1542 HydrophobicContact CD2-CG 4.38Å; L1538-L1542 WeakPolarHBondContact O-CG 3.41Å; L1538-L1542 PolarHBondContact O-N 3.46Å; L1538-L1542 VanDerWaalsContact O-N 3.13Å; L1538-L1698 HydrophobicContact CD2-CD1 3.46Å; L1538-L1698 VanDerWaalsContact CD2-CD1 3.46Å; L1538-L1698 HydrophobicContact CD2-CD2 4.19Å; L1538-L1698 HydrophobicContact CD2-CG 4.48Å |
| 1539 | A | 72.2 | Confident | 68.1 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1535 S1536 E1537 N1543 Y1697 K1701 | M1535-A1539 WeakPolarHBondContact O-CB 3.39Å; M1535-A1539 PolarHBondContact O-N 3.42Å; M1535-A1539 VanDerWaalsContact O-N 3.16Å; S1536-A1539 PolarHBondContact O-N 3.34Å; E1537-A1539 VanDerWaalsContact C-N 3.3Å; E1537-A1539 PolarHBondContact O-N 2.89Å; A1539-N1543 PolarHBondContact O-N 2.98Å; A1539-N1543 PolarHBondContact O-ND2 2.94Å; A1539-Y1697 HydrophobicContact CB-CD1 4.33Å; A1539-Y1697 HydrophobicContact CB-CE1 3.52Å; A1539-K1701 HydrophobicContact CB-CG 4.15Å |
| 1540 | Q | 71.5 | Confident | 67.2 | Low | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.9 | -45.3 | 173.3 | -72 | 179.1 | 43 | 0 | 0 | 111.8 | S1536 E1537 L1538 L1542 N1543 S1544 | S1536-Q1540 WeakPolarHBondContact O-CG 3.13Å; S1536-Q1540 PolarHBondContact O-N 3.15Å; E1537-Q1540 WeakPolarHBondContact O-CA 3.48Å; E1537-Q1540 WeakPolarHBondContact O-CB 3.47Å; E1537-Q1540 PolarHBondContact O-N 3.01Å; L1538-Q1540 VanDerWaalsContact C-N 3.34Å; L1538-Q1540 PolarHBondContact O-N 3.37Å; Q1540-L1542 VanDerWaalsContact C-N 3.31Å; Q1540-L1542 PolarHBondContact O-N 2.99Å; Q1540-N1543 WeakPolarHBondContact O-CA 3.5Å; Q1540-N1543 WeakPolarHBondContact O-CB 3.38Å; Q1540-N1543 PolarHBondContact O-N 3.4Å; Q1540-S1544 PolarHBondContact O-N 2.96Å; Q1540-S1544 PolarHBondContact O-OG 2.83Å |
| 1541 | G | 75.8 | Confident | 65.6 | Low | 41 Ų | 41 | 63 Ų | 63 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.4 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1537 L1538 N1543 S1544 L1545 | E1537-G1541 PolarHBondContact O-N 3.14Å; L1538-G1541 PolarHBondContact O-N 3.23Å; G1541-N1543 VanDerWaalsContact C-N 3.29Å; G1541-N1543 PolarHBondContact O-N 3.46Å; G1541-S1544 PolarHBondContact O-N 2.98Å; G1541-S1544 VanDerWaalsContact O-N 3.13Å; G1541-L1545 PolarHBondContact O-N 3.09Å |
| 1542 | L | 72.7 | Confident | 64 | Low | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -33.1 | 172.8 | -69.9 | 170.8 | 0 | 0 | 0 | 113.2 | L1538 Q1540 A1546 L1698 K1701 L1702 F1705 | L1538-L1542 HydrophobicContact CD2-CD1 3.88Å; L1538-L1542 HydrophobicContact CD2-CG 4.38Å; L1538-L1542 WeakPolarHBondContact O-CG 3.41Å; L1538-L1542 PolarHBondContact O-N 3.46Å; L1538-L1542 VanDerWaalsContact O-N 3.13Å; Q1540-L1542 VanDerWaalsContact C-N 3.31Å; Q1540-L1542 PolarHBondContact O-N 2.99Å; L1542-A1546 WeakPolarHBondContact O-CB 3.39Å; L1542-A1546 PolarHBondContact O-N 2.72Å; L1542-L1698 HydrophobicContact CD1-CD1 3.8Å; L1542-K1701 HydrophobicContact CD1-CB 4.24Å; L1542-L1702 HydrophobicContact CD1-CD2 3.61Å; L1542-L1702 HydrophobicContact CD1-CG 3.85Å; L1542-L1702 HydrophobicContact CD2-CD2 3.99Å; L1542-L1702 HydrophobicContact CG-CD2 4.47Å; L1542-F1705 HydrophobicContact CD2-CB 4.19Å; L1542-F1705 HydrophobicContact CD2-CD1 4.23Å; L1542-F1705 HydrophobicContact CD2-CD2 4.44Å; L1542-F1705 HydrophobicContact CD2-CG 4.01Å |
| 1543 | N | 72.5 | Confident | 62 | Low | 42 Ų | 42 | 72 Ų | 72 | 23% | 0.225 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -73 | -31.8 | 174.6 | -68.1 | -52.8 | 0 | 0 | 0 | 112.4 | A1539 Q1540 G1541 K1547 K1701 | A1539-N1543 PolarHBondContact O-N 2.98Å; A1539-N1543 PolarHBondContact O-ND2 2.94Å; Q1540-N1543 WeakPolarHBondContact O-CA 3.5Å; Q1540-N1543 WeakPolarHBondContact O-CB 3.38Å; Q1540-N1543 PolarHBondContact O-N 3.4Å; G1541-N1543 VanDerWaalsContact C-N 3.29Å; G1541-N1543 PolarHBondContact O-N 3.46Å; N1543-K1547 WeakPolarHBondContact O-CG 3.42Å; N1543-K1701 WeakPolarHBondContact OD1-CD 3.49Å; N1543-K1701 PolarHBondContact OD1-NZ 3.08Å |
| 1544 | S | 70 | Confident | 60.1 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.7 | -49.8 | 177.6 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | Q1540 G1541 A1546 K1547 E1548 | Q1540-S1544 PolarHBondContact O-N 2.96Å; Q1540-S1544 PolarHBondContact O-OG 2.83Å; G1541-S1544 PolarHBondContact O-N 2.98Å; G1541-S1544 VanDerWaalsContact O-N 3.13Å; S1544-A1546 PolarHBondContact O-N 2.94Å; S1544-A1546 VanDerWaalsContact O-N 3.16Å; S1544-K1547 WeakPolarHBondContact O-CA 3.34Å; S1544-K1547 WeakPolarHBondContact O-CB 3.43Å; S1544-K1547 PolarHBondContact O-N 2.8Å; S1544-E1548 PolarHBondContact O-N 3.05Å |
| 1545 | L | 67.1 | Low | 58.4 | Low | 76 Ų | 76 | 76.9 Ų | 76.9 | 40% | 0.398 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -25 | 175.8 | -163.6 | 65.5 | 0 | 0 | 0 | 112.1 | G1541 K1547 F1705 R1712 | G1541-L1545 PolarHBondContact O-N 3.09Å; L1545-K1547 VanDerWaalsContact C-N 3.33Å; L1545-F1705 HydrophobicContact CB-CD2 4.48Å; L1545-F1705 HydrophobicContact CB-CE2 3.8Å; L1545-F1705 HydrophobicContact CD2-CE2 3.67Å; L1545-F1705 HydrophobicContact CD2-CZ 3.55Å; L1545-F1705 HydrophobicContact CG-CE2 3.63Å; L1545-F1705 HydrophobicContact CG-CZ 3.95Å; L1545-R1712 PolarHBondContact O-NH1 3.01Å |
| 1546 | A | 67.9 | Low | 56.7 | Low | 9 Ų | 9 | 81 Ų | 81 | 7% | 0.074 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1542 S1544 F1705 K1708 R1712 | L1542-A1546 WeakPolarHBondContact O-CB 3.39Å; L1542-A1546 PolarHBondContact O-N 2.72Å; S1544-A1546 PolarHBondContact O-N 2.94Å; S1544-A1546 VanDerWaalsContact O-N 3.16Å; A1546-F1705 HydrophobicContact CB-CD2 4.11Å; A1546-K1708 HydrophobicContact CB-CD 3.72Å; A1546-R1712 PolarHBondContact O-NH2 3.43Å |
| 1547 | K | 67.4 | Low | 54.6 | Low | 159 Ų | 159 | 85.8 Ų | 85.8 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -44.6 | -179.9 | -75.9 | 171.4 | 179 | -179.5 | 0 | 112.5 | N1543 S1544 L1545 R1712 | N1543-K1547 WeakPolarHBondContact O-CG 3.42Å; S1544-K1547 WeakPolarHBondContact O-CA 3.34Å; S1544-K1547 WeakPolarHBondContact O-CB 3.43Å; S1544-K1547 PolarHBondContact O-N 2.8Å; L1545-K1547 VanDerWaalsContact C-N 3.33Å; K1547-R1712 VanDerWaalsContact C-NH2 3.32Å; K1547-R1712 PolarHBondContact O-NH2 3.32Å |
| 1548 | E | 56.9 | Low | 52.9 | Low | 94 Ų | 94 | 85.1 Ų | 85.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -57.4 | 138.8 | -173.8 | -66.6 | -179.6 | 162.1 | 0 | 0 | 113 | S1544 R1712 | S1544-E1548 PolarHBondContact O-N 3.05Å; E1548-R1712 PolarHBondContact O-NH1 2.89Å; E1548-R1712 PolarHBondContact O-NH2 3.28Å |
| 1549 | P | 41.6 | Very low | 51 | Low | 97 Ų | 97 | 91.5 Ų | 91.5 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | | | trans | -73.4 | 129.4 | 178.9 | 30.5 | -33.7 | 0 | 0 | 0 | 110.9 | F1551 | P1549-F1551 PolarHBondContact O-N 2.61Å; P1549-F1551 VanDerWaalsContact O-N 3.12Å |
| 1550 | L | 49.8 | Very low | 49.1 | Very low | 55 Ų | 55 | 100 Ų | 100 | 29% | 0.288 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -69.6 | -9.4 | -176.6 | -141.4 | 145.1 | 0 | 0 | 0 | 113.4 | A1751 | L1550-A1751 HydrophobicContact CD2-CB 4.32Š|
| 1551 | F | 38 | Very low | 47.3 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 36% | 0.36 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -142.9 | 130.7 | 169.8 | -63.7 | -71.4 | 0 | 0 | 0 | 108.5 | P1549 N1716 | P1549-F1551 PolarHBondContact O-N 2.61Å; P1549-F1551 VanDerWaalsContact O-N 3.12Å; F1551-N1716 HydrophobicContact CE2-CB 4.43Å; F1551-N1716 WeakPolarHBondContact CE2-ND2 3.39Å |
| 1552 | Q | 34.3 | Very low | 45.4 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 76% | 0.762 | 61% | 0.605 | S | S | * | * | | | trans | -77 | 117.8 | 158 | -67.4 | -175.5 | 7 | 0 | 0 | 107.3 | | |
| 1553 | S | 29.6 | Very low | 43.6 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 76% | 0.762 | 64% | 0.642 | S | S | * | * | | | trans | -90.3 | 110.5 | 174 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | G1555 | S1553-G1555 PolarHBondContact O-N 3.17Š|
| 1554 | D | 30 | Very low | 41.6 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 91% | 0.914 | 67% | 0.672 | S | S | * | * | | | trans | -65.2 | 79.8 | 171.7 | -71 | -30.6 | 0 | 0 | 0 | 110.5 | | |
| 1555 | G | 31.8 | Very low | 39.5 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | | | trans | -143.9 | 29.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1553 | S1553-G1555 PolarHBondContact O-N 3.17Š|
| 1556 | S | 28.2 | Very low | 37.9 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | trans | -126.7 | 90.8 | 178.6 | -173.5 | 0 | 0 | 0 | 0 | 111 | | |
| 1557 | C | 28.6 | Very low | 36.2 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 92% | 0.919 | 73% | 0.733 | S | S | * | * | | | trans | -131.6 | 121.2 | 158.8 | -79.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1558 | S | 33.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | trans | -85.1 | 124.3 | -160.7 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | E1560 | S1558-E1560 PolarHBondContact O-N 3.45Š|
| 1559 | E | 31.4 | Very low | 33.3 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -80.3 | 85.2 | 150.2 | -79.3 | -156.9 | 107.7 | 0 | 0 | 109.3 | | |
| 1560 | E | 33 | Very low | 32.8 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | | | trans | -171.6 | 86.4 | 147.1 | -110.6 | 169.4 | -152.3 | 0 | 0 | 111.8 | S1558 | S1558-E1560 PolarHBondContact O-N 3.45Š|
| 1561 | N | 34.6 | Very low | 32 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -155.2 | 87.9 | 156.5 | -122 | -28.6 | 0 | 0 | 0 | 110 | | |
| 1562 | K | 34.3 | Very low | 31.6 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | -117.4 | 100.1 | 175.4 | -73.1 | 173.1 | -177.6 | 157.3 | 0 | 108.9 | | |
| 1563 | N | 36.1 | Very low | 31.7 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -174.3 | 164.7 | 145.6 | -94.3 | -23 | 0 | 0 | 0 | 112.4 | | |
| 1564 | E | 30 | Very low | 31.9 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | 65.2 | 94.2 | 168.6 | -143.4 | 83.9 | -114.8 | 0 | 0 | 118.1 | | |
| 1565 | F | 26.9 | Very low | 32.1 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -82.7 | 140.9 | 161.7 | -91.2 | -114.7 | 0 | 0 | 0 | 111.2 | | |
| 1566 | Q | 32.8 | Very low | 32.2 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -147.8 | 101.3 | 145.8 | -90.9 | -59.1 | -18.9 | 0 | 0 | 111.2 | | |
| 1567 | P | 31.3 | Very low | 32.3 | Very low | 95 Ų | 95 | 156.7 Ų | 156.7 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | | | trans | -98.7 | 126.2 | 179 | 34.7 | -29.6 | 0 | 0 | 0 | 112.7 | | |
| 1568 | I | 33.4 | Very low | 32.6 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | trans | -127.4 | 96 | -179.9 | -56.2 | -175.8 | 0 | 0 | 0 | 112.6 | | |
| 1569 | N | 30.1 | Very low | 32.5 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | | 32.2 | 101.7 | 129.9 | -70.9 | -49.5 | 0 | 0 | 0 | 117.4 | | |
| 1570 | R | 31.7 | Very low | 32.8 | Very low | 228 Ų | 228 | 157.8 Ų | 157.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | | 165.8 | 159.4 | 85.1 | -86 | 146.6 | 179.9 | -161.4 | 1.4 | 107.4 | | |
| 1571 | L | 32.7 | Very low | 32.9 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | cis | -154.7 | 143.5 | 0.6 | -119.7 | 158.7 | 0 | 0 | 0 | 108 | | |
| 1572 | Y | 30.1 | Very low | 32.7 | Very low | 217 Ų | 217 | 154 Ų | 154 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -94.2 | 153.2 | 175.8 | -116.7 | -89.7 | 0 | 0 | 0 | 111.8 | | |
| 1573 | P | 36.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -142.6 | 162.1 | 131.1 | 38.3 | -26.2 | 0 | 0 | 0 | 113.2 | | |
| 1574 | D | 32.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | cis | -162 | 157.9 | -28.7 | -176.1 | 24.8 | 0 | 0 | 0 | 107 | | |
| 1575 | V | 34.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | | | trans | -119.7 | 127 | -170.8 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1576 | K | 33.9 | Very low | 32.8 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | | | trans | -133 | 94 | 171.6 | -73.8 | -172.6 | 177 | 170.3 | 0 | 115 | | |
| 1577 | T | 29.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | | | | 26.2 | 128.7 | 127.8 | -23.5 | 0 | 0 | 0 | 0 | 120 | | |
| 1578 | I | 35.7 | Very low | 32.7 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | | | trans | -152.4 | 144.9 | 136 | -95.4 | 138.7 | 0 | 0 | 0 | 110.3 | | |
| 1579 | N | 31.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | -66.7 | 162.5 | -159.7 | -54.7 | -62.1 | 0 | 0 | 0 | 119 | | |
| 1580 | L | 36.6 | Very low | 32.7 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -75.1 | 168.3 | 160.7 | -62.4 | 83.2 | 0 | 0 | 0 | 112.2 | | |
| 1581 | P | 34.9 | Very low | 32.7 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | trans | -111.9 | 135.6 | 136.7 | 34.4 | -27.9 | 0 | 0 | 0 | 112.5 | | |
| 1582 | L | 30.4 | Very low | 32.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -90.7 | 172.6 | 167 | -73.5 | 128.3 | 0 | 0 | 0 | 110.9 | | |
| 1583 | I | 31.7 | Very low | 33.1 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | | 150.6 | 129.4 | 125.5 | -78.6 | 169.5 | 0 | 0 | 0 | 114.4 | | |
| 1584 | N | 33.4 | Very low | 33.1 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | 61.2 | 100.4 | 158.3 | -64 | -1.3 | 0 | 0 | 0 | 122.8 | | |
| 1585 | D | 30.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | | 31.3 | 128.9 | 102 | -56.8 | -12.2 | 0 | 0 | 0 | 120.7 | | |
| 1586 | N | 33.2 | Very low | 32.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | -170.9 | 138 | 101.9 | -102.5 | -75.4 | 0 | 0 | 0 | 114 | | |
| 1587 | L | 30.4 | Very low | 32.3 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | 18.5 | 132.1 | 145.1 | -65.4 | 162.4 | 0 | 0 | 0 | 118.5 | | |
| 1588 | Q | 31.6 | Very low | 32.5 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | | -176.6 | 147.7 | 61.2 | -137.4 | 164 | 38.1 | 0 | 0 | 114.8 | | |
| 1589 | T | 30.9 | Very low | 32.4 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | 61.5 | 129.3 | 151.9 | 40.2 | 0 | 0 | 0 | 0 | 124 | | |
| 1590 | M | 33 | Very low | 32.7 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -75 | 164.4 | 155.9 | -59.1 | -101.3 | 79.3 | 0 | 0 | 111.4 | | |
| 1591 | P | 33.1 | Very low | 32.4 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | | -126.6 | 150.5 | 84.9 | 11.1 | 10.5 | 0 | 0 | 0 | 112.4 | | |
| 1592 | T | 30.4 | Very low | 32.4 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | | 77.7 | 125.4 | 53.5 | -46.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1593 | L | 39.7 | Very low | 32.3 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -67.8 | 168.8 | -177.1 | -64.6 | 160 | 0 | 0 | 0 | 113.5 | | |
| 1594 | P | 36.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -118 | 135.7 | 134.2 | 34.6 | -30.3 | 0 | 0 | 0 | 113.5 | | |
| 1595 | D | 28.2 | Very low | 32 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | -78.6 | 151 | -176.5 | -110.1 | -54.7 | 0 | 0 | 0 | 115.5 | | |
| 1596 | S | 27.6 | Very low | 32 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | | | | 69.1 | 154.4 | 127.8 | -156.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1597 | T | 29.4 | Very low | 31.8 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | 62.5 | 134 | 171.9 | 64.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1598 | T | 34.3 | Very low | 31.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | cis | -149.9 | 149.7 | 30.3 | -46 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1599 | D | 32.6 | Very low | 31.7 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -66.6 | -177.7 | 170.5 | -139.4 | 26.8 | 0 | 0 | 0 | 112.2 | | |
| 1600 | P | 38.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | | | cis | -139.4 | 174.6 | 0.5 | 43.1 | -26 | 0 | 0 | 0 | 117.6 | | |
| 1601 | G | 30.5 | Very low | 31.4 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | | | trans | 138.5 | 134.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1602 | L | 33.8 | Very low | 31.3 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | | | trans | 66.5 | 96.2 | 169.9 | -47.5 | 179.9 | 0 | 0 | 0 | 114.7 | | |
| 1603 | S | 28 | Very low | 31.4 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | cis | 81.3 | 135.6 | 27.2 | 93 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1604 | E | 29.1 | Very low | 31.1 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 76.2 | 166.5 | 172.2 | -64.1 | -174.2 | 116.3 | 0 | 0 | 119.5 | | |
| 1605 | I | 31.3 | Very low | 31.1 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | 66.7 | 86.4 | -161 | -45.1 | 174.8 | 0 | 0 | 0 | 111.6 | | |
| 1606 | V | 30.2 | Very low | 31.4 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | | | cis | 64.1 | 111.6 | 19.6 | -175.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1607 | E | 28.7 | Very low | 31.6 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | 31.8 | 125.3 | 150.7 | -57 | 178.2 | 132.7 | 0 | 0 | 120.7 | | |
| 1608 | C | 32.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -153 | 57.1 | 146 | -138.3 | 0 | 0 | 0 | 0 | 112.3 | A1610 | C1608-A1610 PolarHBondContact O-N 2.98Å; C1608-A1610 VanDerWaalsContact O-N 3.14Å |
| 1609 | S | 28.3 | Very low | 31.8 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | -73.6 | 98.1 | 166.7 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | F1611 | S1609-F1611 PolarHBondContact O-N 3.26Å; S1609-F1611 VanDerWaalsContact O-N 3.16Å |
| 1610 | A | 28.5 | Very low | 31.7 | Very low | 81 Ų | 81 | 137 Ų | 137 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 52.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1608 | C1608-A1610 PolarHBondContact O-N 2.98Å; C1608-A1610 VanDerWaalsContact O-N 3.14Å |
| 1611 | F | 27.7 | Very low | 31.3 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 93% | 0.934 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.4 | 46 | 159.8 | -95.4 | -56.4 | 0 | 0 | 0 | 113.8 | S1609 | S1609-F1611 PolarHBondContact O-N 3.26Å; S1609-F1611 VanDerWaalsContact O-N 3.16Å |
| 1612 | T | 31.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 143 Ų | 143 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | -150.2 | 130.6 | 163.4 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1613 | T | 32.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -94.2 | 113.6 | 173.5 | 45.6 | 0 | 0 | 0 | 0 | 108.9 | L1615 | T1613-L1615 PolarHBondContact O-N 3.26Š|
| 1614 | P | 33.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -71 | 131.4 | -174.4 | 27.5 | -34.2 | 0 | 0 | 0 | 112.1 | | |
| 1615 | L | 35.4 | Very low | 31.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 67% | 0.665 | 79% | 0.794 | S | S | * | * | | | trans | -79.5 | 143.5 | 171.2 | -74.9 | 167.6 | 0 | 0 | 0 | 111 | T1613 H1617 | T1613-L1615 PolarHBondContact O-N 3.26Å; L1615-H1617 PolarHBondContact O-N 3.43Å |
| 1616 | P | 35.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | | | trans | -83.8 | 106.9 | -177.1 | 32.4 | -33.2 | 0 | 0 | 0 | 112.4 | R1618 | P1616-R1618 PolarHBondContact O-N 3.1Š|
| 1617 | H | 32.3 | Very low | 31.2 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | | | trans | -49.2 | 131.8 | 172.7 | -93.2 | -95.7 | 0 | 0 | 0 | 113.4 | L1615 | L1615-H1617 PolarHBondContact O-N 3.43Š|
| 1618 | R | 33 | Very low | 31.3 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -135.8 | 137.5 | 154.9 | -74.9 | -166.8 | 176 | 151.1 | 9.1 | 110.7 | P1616 | P1616-R1618 PolarHBondContact O-N 3.1Š|
| 1619 | T | 33.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | | | trans | -84.6 | 137.3 | -169 | -38.8 | 0 | 0 | 0 | 0 | 112.5 | E1621 | T1619-E1621 HydrophobicContact CG2-CG 4.08Å; T1619-E1621 PolarHBondContact O-N 3.16Å |
| 1620 | L | 30.4 | Very low | 31.3 | Very low | 178 Ų | 178 | 144 Ų | 144 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | | | trans | -94.1 | 73.8 | 179.6 | -73.6 | 168.5 | 0 | 0 | 0 | 112.1 | | |
| 1621 | E | 30.8 | Very low | 31.4 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | -131.8 | 38.5 | -178.7 | -72.9 | -170.9 | 148.9 | 0 | 0 | 113.8 | T1619 | T1619-E1621 HydrophobicContact CG2-CG 4.08Å; T1619-E1621 PolarHBondContact O-N 3.16Å |
| 1622 | T | 32.1 | Very low | 31.3 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -149.3 | 20.6 | -179.5 | -27 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1623 | M | 31.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -129.6 | 5.5 | 175.7 | -67.2 | -164.1 | 70.9 | 0 | 0 | 115.7 | | |
| 1624 | L | 27.2 | Very low | 31 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 94% | 0.942 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -111 | 55.5 | 176.6 | -70.9 | 174 | 0 | 0 | 0 | 112.5 | | |
| 1625 | S | 26.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -158 | 66.5 | 169.6 | -149.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1626 | V | 33 | Very low | 30.6 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | -139.9 | 112.4 | 151.1 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1627 | A | 30 | Very low | 30.1 | Very low | 89 Ų | 89 | 150.5 Ų | 150.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -85.1 | 146.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1628 | P | 31.9 | Very low | 30 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | trans | -91.7 | 125.7 | -179.2 | 33.8 | -31.2 | 0 | 0 | 0 | 111.9 | | |
| 1629 | E | 32.4 | Very low | 29.7 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -138.8 | 127.4 | 170.5 | -88.5 | -155.7 | -164.8 | 0 | 0 | 115.1 | | |
| 1630 | N | 28.7 | Very low | 29.6 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | | | trans | 84.8 | 127.8 | 133.1 | -83 | -46.4 | 0 | 0 | 0 | 124.1 | | |
| 1631 | L | 28.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | 79.7 | 85.6 | 142.2 | -63.7 | 167.4 | 0 | 0 | 0 | 121.4 | | |
| 1632 | S | 25.9 | Very low | 29.5 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | | | | 46.1 | 131.9 | 114 | 66.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1633 | N | 29.7 | Very low | 29.6 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | | 178 | 162.3 | 96.3 | -92.1 | -59.2 | 0 | 0 | 0 | 114 | | |
| 1634 | Y | 30 | Very low | 29.5 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | 71.4 | 142.2 | 162.5 | -56.4 | -58.5 | 0 | 0 | 0 | 121.5 | | |
| 1635 | Q | 29.3 | Very low | 29.4 | Very low | 140 Ų | 140 | 143 Ų | 143 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | | 177.9 | 131.6 | -58.8 | 167.1 | 178.6 | -61.5 | 0 | 0 | 112.1 | | |
| 1636 | K | 30 | Very low | 29.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 68% | 0.683 | 75% | 0.75 | S | S | * | * | | | trans | 67.5 | 117.1 | 160.6 | -72.8 | 175.6 | -176.3 | 176.6 | 0 | 117.4 | | |
| 1637 | F | 25.3 | Very low | 29.3 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | | 88.8 | 147.3 | 76.8 | -79 | -19.3 | 0 | 0 | 0 | 113.1 | | |
| 1638 | P | 29.8 | Very low | 29.3 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | | -122 | 170.8 | 51.3 | 40.7 | -29.8 | 0 | 0 | 0 | 117.8 | | |
| 1639 | L | 26.9 | Very low | 29 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -122.9 | 143.4 | -178.7 | -165.2 | 85.4 | 0 | 0 | 0 | 109.2 | | |
| 1640 | N | 31 | Very low | 28.8 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -166.6 | 133.5 | 163.3 | -88.7 | -30.7 | 0 | 0 | 0 | 106.8 | | |
| 1641 | N | 31.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 146 Ų | 146 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | | | cis | -153.1 | 151.5 | -12.4 | -98.6 | -38.2 | 0 | 0 | 0 | 109.5 | | |
| 1642 | T | 28.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | 46.8 | 126.5 | 157.1 | 55.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1643 | K | 33.3 | Very low | 29.1 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | cis | -140.7 | 161.3 | 18.4 | -58.8 | 176.5 | -177.3 | 173.8 | 0 | 110.5 | | |
| 1644 | K | 29.3 | Very low | 29 | Very low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -88.8 | 145.3 | 171.3 | -56.5 | 178.2 | 178.4 | -179.4 | 0 | 110.2 | | |
| 1645 | L | 26.9 | Very low | 28.9 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | | 177.6 | 159.6 | 99.3 | -111.3 | 54.8 | 0 | 0 | 0 | 106.3 | | |
| 1646 | N | 28.1 | Very low | 29 | Very low | 129 Ų | 129 | 152 Ų | 152 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | | | cis | -163.7 | 164.3 | -26.1 | -126.9 | 51.4 | 0 | 0 | 0 | 108.3 | | |
| 1647 | L | 27.7 | Very low | 29.1 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -129.1 | 148.8 | 169.4 | -86.4 | 77.3 | 0 | 0 | 0 | 110.6 | | |
| 1648 | P | 29.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -72.2 | 128.9 | 158.3 | 31.3 | -31.2 | 0 | 0 | 0 | 109.5 | | |
| 1649 | T | 25.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | | | trans | -108.1 | 118.2 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | Q1651 | T1649-Q1651 HydrophobicContact CG2-CB 4.31Š|
| 1650 | V | 29.7 | Very low | 29.3 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 92% | 0.915 | 79% | 0.792 | S | S | * | * | | | trans | -101.2 | 127.6 | 163.7 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1651 | Q | 29.4 | Very low | 29.2 | Very low | 163 Ų | 163 | 155 Ų | 155 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -134 | 111.8 | -165.7 | -174.2 | 174.2 | -6.3 | 0 | 0 | 109.9 | T1649 | T1649-Q1651 HydrophobicContact CG2-CB 4.31Š|
| 1652 | N | 29.1 | Very low | 29.1 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | | | trans | 22.7 | 89.4 | 170.2 | -63.3 | 2.3 | 0 | 0 | 0 | 117.3 | | |
| 1653 | G | 29.7 | Very low | 29.3 | Very low | 80 Ų | 80 | 156.7 Ų | 156.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -112.5 | 162.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1654 | R | 27.5 | Very low | 29.2 | Very low | 222 Ų | 222 | 150.5 Ų | 150.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -82.7 | 150.8 | -175.8 | -86.8 | -174.5 | 178.5 | 120.5 | -3.7 | 113.8 | | |
| 1655 | D | 27.6 | Very low | 29.4 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 57.5 | 60.8 | 144.6 | -48.8 | -22.8 | 0 | 0 | 0 | 119.2 | | |
| 1656 | E | 32.8 | Very low | 29.5 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -117.5 | 154.2 | 168.3 | -66.7 | -166.7 | 160.7 | 0 | 0 | 113.8 | | |
| 1657 | K | 31.8 | Very low | 29.6 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -83 | 138.8 | -170.8 | -67.1 | 174.5 | -179.3 | 170.7 | 0 | 112.2 | T1659 | K1657-T1659 VanDerWaalsContact C-N 3.25Å; K1657-T1659 PolarHBondContact O-N 3.34Å |
| 1658 | F | 25.7 | Very low | 29.8 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | -72.1 | 78 | 165.5 | -91.1 | -90.9 | 0 | 0 | 0 | 111.6 | | |
| 1659 | T | 29.3 | Very low | 29.9 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | trans | -128.6 | 150.4 | 162.1 | 40.1 | 0 | 0 | 0 | 0 | 108.9 | K1657 | K1657-T1659 VanDerWaalsContact C-N 3.25Å; K1657-T1659 PolarHBondContact O-N 3.34Å |
| 1660 | D | 30.9 | Very low | 30.5 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | trans | 67.2 | 67.7 | 174.1 | -49.5 | -31.2 | 0 | 0 | 0 | 116.3 | I1662 | D1660-I1662 HydrophobicContact CB-CG1 4.29Å; D1660-I1662 PolarHBondContact O-N 3.47Å; D1660-I1662 VanDerWaalsContact O-N 3.09Å |
| 1661 | F | 28.5 | Very low | 30.7 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | | | trans | -66.9 | 99 | 148.5 | -111.1 | -86.3 | 0 | 0 | 0 | 108.4 | L1663 | F1661-L1663 PolarHBondContact O-N 2.74Š|
| 1662 | I | 29.5 | Very low | 31 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | | | trans | -75.8 | 88.4 | -176.6 | -59.6 | 172.3 | 0 | 0 | 0 | 109.8 | D1660 S1664 | D1660-I1662 HydrophobicContact CB-CG1 4.29Å; D1660-I1662 PolarHBondContact O-N 3.47Å; D1660-I1662 VanDerWaalsContact O-N 3.09Å; I1662-S1664 PolarHBondContact O-N 3.48Å |
| 1663 | L | 33.4 | Very low | 31.3 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | trans | -74.8 | 90.8 | 141.7 | -75.6 | 177.7 | 0 | 0 | 0 | 106.6 | F1661 | F1661-L1663 PolarHBondContact O-N 2.74Š|
| 1664 | S | 31.4 | Very low | 31.7 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 51% | 0.51 | 70% | 0.695 | S | S | . | * | | | trans | -59.6 | 140.4 | 171.7 | -171 | 0 | 0 | 0 | 0 | 108.7 | I1662 Q1666 | I1662-S1664 PolarHBondContact O-N 3.48Å; S1664-Q1666 PolarHBondContact O-N 3.27Å |
| 1665 | P | 31.9 | Very low | 32.7 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | | | trans | -74.8 | 47.2 | 174.4 | 34.5 | -37.1 | 0 | 0 | 0 | 111.2 | S1667 | P1665-S1667 PolarHBondContact O-N 2.92Š|
| 1666 | Q | 30.5 | Very low | 33.4 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | | | trans | -78.7 | 101.1 | 169.6 | -167.8 | 162.1 | 22.2 | 0 | 0 | 106.5 | S1664 F1668 | S1664-Q1666 PolarHBondContact O-N 3.27Å; Q1666-F1668 PolarHBondContact O-N 2.91Å |
| 1667 | S | 30.4 | Very low | 34 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | | | trans | -53.9 | 128.7 | -175.1 | 38.5 | 0 | 0 | 0 | 0 | 111 | P1665 Q1669 | P1665-S1667 PolarHBondContact O-N 2.92Å; S1667-Q1669 VanDerWaalsContact C-N 3.31Å; S1667-Q1669 PolarHBondContact O-N 3.14Å |
| 1668 | F | 30.8 | Very low | 34.6 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | | | trans | -63.6 | 98.9 | 163.8 | -71.8 | -79.1 | 0 | 0 | 0 | 107.3 | Q1529 Q1666 L1670 L1690 | Q1529-F1668 PolarHBondContact NE2-O 2.88Å; Q1529-F1668 VanDerWaalsContact NE2-O 3.12Å; Q1666-F1668 PolarHBondContact O-N 2.91Å; F1668-L1670 VanDerWaalsContact C-N 3.33Å; F1668-L1670 PolarHBondContact O-N 3.11Å; F1668-L1690 HydrophobicContact CD2-CD2 3.99Å; F1668-L1690 HydrophobicContact CE2-CD2 4.08Å |
| 1669 | Q | 31.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 112.3 Ų | 112.3 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | | | trans | -66.3 | 97.8 | 165.9 | -72.7 | -173.8 | -21 | 0 | 0 | 107.2 | S1667 S1671 | S1667-Q1669 VanDerWaalsContact C-N 3.31Å; S1667-Q1669 PolarHBondContact O-N 3.14Å; Q1669-S1671 PolarHBondContact O-N 3.18Å |
| 1670 | L | 39.3 | Very low | 36.2 | Very low | 47 Ų | 47 | 111 Ų | 111 | 25% | 0.246 | 61% | 0.611 | C | S | . | * | | | trans | -54 | 133.5 | 158.4 | -63.7 | 172.4 | 0 | 0 | 0 | 106.9 | A1525 Y1528 F1668 F1674 | A1525-L1670 HydrophobicContact CB-CD1 4.01Å; Y1528-L1670 HydrophobicContact CD1-CD1 4.06Å; F1668-L1670 VanDerWaalsContact C-N 3.33Å; F1668-L1670 PolarHBondContact O-N 3.11Å; L1670-F1674 HydrophobicContact CD2-CD2 4.38Å; L1670-F1674 HydrophobicContact CD2-CE2 4.39Å |
| 1671 | S | 33.3 | Very low | 37 | Very low | 76 Ų | 76 | 108.6 Ų | 108.6 | 53% | 0.531 | 60% | 0.603 | S | S | . | * | | | trans | -60.3 | 146.8 | -179 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | Q1669 N1673 F1674 | Q1669-S1671 PolarHBondContact O-N 3.18Å; S1671-N1673 PolarHBondContact O-N 2.84Å; S1671-F1674 WeakPolarHBondContact O-CB 3.38Å; S1671-F1674 PolarHBondContact O-N 3.12Å |
| 1672 | S | 36.5 | Very low | 38.6 | Very low | 121 Ų | 121 | 104.1 Ų | 104.1 | 85% | 0.846 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -4.1 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1673 | N | 35.1 | Very low | 39.8 | Very low | 136 Ų | 136 | 100 Ų | 100 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 21.1 | -178.1 | -55 | 14.1 | 0 | 0 | 0 | 110.9 | S1671 D1675 | S1671-N1673 PolarHBondContact O-N 2.84Å; N1673-D1675 PolarHBondContact O-N 3.32Å; N1673-D1675 VanDerWaalsContact O-N 3.1Å |
| 1674 | F | 38.1 | Very low | 40.9 | Very low | 63 Ų | 63 | 95.7 Ų | 95.7 | 28% | 0.276 | 55% | 0.548 | S | S | . | . | | | trans | -72.7 | 97.2 | 175.5 | -167.4 | -89.8 | 0 | 0 | 0 | 109.4 | L1670 S1671 E1683 | L1670-F1674 HydrophobicContact CD2-CD2 4.38Å; L1670-F1674 HydrophobicContact CD2-CE2 4.39Å; S1671-F1674 WeakPolarHBondContact O-CB 3.38Å; S1671-F1674 PolarHBondContact O-N 3.12Å; F1674-E1683 HydrophobicContact CE2-CB 4.24Å; F1674-E1683 HydrophobicContact CZ-CB 4.36Å |
| 1675 | D | 47.2 | Very low | 42.6 | Very low | 89 Ų | 89 | 94.5 Ų | 94.5 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | | | trans | -92.3 | 112.5 | -179.8 | -179.5 | -5.6 | 0 | 0 | 0 | 109.3 | N1673 D1677 S1678 | N1673-D1675 PolarHBondContact O-N 3.32Å; N1673-D1675 VanDerWaalsContact O-N 3.1Å; D1675-D1677 PolarHBondContact O-N 3.15Å; D1675-D1677 PolarHBondContact OD1-N 3.03Å; D1675-S1678 WeakPolarHBondContact O-CB 3.47Å; D1675-S1678 PolarHBondContact O-N 2.98Å |
| 1676 | P | 42.9 | Very low | 44.6 | Very low | 67 Ų | 67 | 93.3 Ų | 93.3 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.9 | -178.8 | 30 | -35.3 | 0 | 0 | 0 | 114.1 | S1678 | P1676-S1678 VanDerWaalsContact C-N 3.33Š|
| 1677 | D | 46.1 | Very low | 46.1 | Very low | 127 Ų | 127 | 87.4 Ų | 87.4 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.4 | 170.1 | -71 | -39.6 | 0 | 0 | 0 | 112.2 | D1675 S1679 | D1675-D1677 PolarHBondContact O-N 3.15Å; D1675-D1677 PolarHBondContact OD1-N 3.03Å; D1677-S1679 PolarHBondContact O-N 2.92Å; D1677-S1679 VanDerWaalsContact O-N 3.09Å; D1677-S1679 PolarHBondContact O-OG 2.88Å |
| 1678 | S | 44.8 | Very low | 48 | Very low | 48 Ų | 48 | 89.3 Ų | 89.3 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | | | trans | -53.1 | 114.9 | 167.4 | 175.8 | 0 | 0 | 0 | 0 | 110 | D1675 P1676 D1680 E1683 | D1675-S1678 WeakPolarHBondContact O-CB 3.47Å; D1675-S1678 PolarHBondContact O-N 2.98Å; P1676-S1678 VanDerWaalsContact C-N 3.33Å; S1678-D1680 PolarHBondContact O-N 3.37Å; S1678-E1683 WeakPolarHBondContact CB-OE2 3.45Å; S1678-E1683 PolarHBondContact OG-OE2 3.43Å |
| 1679 | S | 40.1 | Very low | 50.2 | Low | 109 Ų | 109 | 85.6 Ų | 85.6 | 76% | 0.762 | 49% | 0.488 | S | S | * | . | | | trans | -80 | 19.6 | -173.5 | -51.3 | 0 | 0 | 0 | 0 | 113.9 | D1677 P1681 | D1677-S1679 PolarHBondContact O-N 2.92Å; D1677-S1679 VanDerWaalsContact O-N 3.09Å; D1677-S1679 PolarHBondContact O-OG 2.88Å; S1679-P1681 WeakPolarHBondContact O-CD 3.14Å |
| 1680 | D | 48.6 | Very low | 52.3 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | | | trans | -81.6 | 115.9 | -179.1 | -166.4 | -33.3 | 0 | 0 | 0 | 111 | S1678 N1682 E1683 | S1678-D1680 PolarHBondContact O-N 3.37Å; D1680-N1682 PolarHBondContact O-N 3.49Å; D1680-N1682 WeakPolarHBondContact OD1-CB 3.47Å; D1680-N1682 VanDerWaalsContact OD1-CG 3.27Å; D1680-N1682 PolarHBondContact OD1-N 3.25Å; D1680-N1682 PolarHBondContact OD1-ND2 3.08Å; D1680-E1683 HydrophobicContact CB-CG 4.48Å; D1680-E1683 PolarHBondContact O-N 3.09Å |
| 1681 | P | 47.6 | Very low | 53.8 | Low | 83 Ų | 83 | 77.3 Ų | 77.3 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -19.2 | 179.3 | 26.5 | -35.9 | 0 | 0 | 0 | 113.8 | S1679 S1684 A1685 | S1679-P1681 WeakPolarHBondContact O-CD 3.14Å; P1681-S1684 PolarHBondContact O-OG 3.22Å; P1681-A1685 PolarHBondContact O-N 2.84Å |
| 1682 | N | 61.1 | Low | 56 | Low | 103 Ų | 103 | 77.4 Ų | 77.4 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -35 | 178.3 | -64.2 | -61.5 | 0 | 0 | 0 | 112.7 | D1680 A1685 I1686 | D1680-N1682 PolarHBondContact O-N 3.49Å; D1680-N1682 WeakPolarHBondContact OD1-CB 3.47Å; D1680-N1682 VanDerWaalsContact OD1-CG 3.27Å; D1680-N1682 PolarHBondContact OD1-N 3.25Å; D1680-N1682 PolarHBondContact OD1-ND2 3.08Å; N1682-A1685 WeakPolarHBondContact O-CB 3.16Å; N1682-A1685 PolarHBondContact O-N 2.86Å; N1682-I1686 WeakPolarHBondContact O-CG1 3.36Å; N1682-I1686 PolarHBondContact O-N 3Å |
| 1683 | E | 55.5 | Low | 57.8 | Low | 52 Ų | 52 | 75.2 Ų | 75.2 | 24% | 0.243 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.6 | -41 | -175.2 | -62.1 | -172.3 | 114.4 | 0 | 0 | 111.2 | F1674 S1678 D1680 A1685 I1686 Y1687 | F1674-E1683 HydrophobicContact CE2-CB 4.24Å; F1674-E1683 HydrophobicContact CZ-CB 4.36Å; S1678-E1683 WeakPolarHBondContact CB-OE2 3.45Å; S1678-E1683 PolarHBondContact OG-OE2 3.43Å; D1680-E1683 HydrophobicContact CB-CG 4.48Å; D1680-E1683 PolarHBondContact O-N 3.09Å; E1683-A1685 VanDerWaalsContact C-N 3.26Å; E1683-A1685 PolarHBondContact O-N 2.84Å; E1683-I1686 PolarHBondContact O-N 3.45Å; E1683-Y1687 PolarHBondContact O-N 3.12Å |
| 1684 | S | 55.6 | Low | 59.6 | Low | 57 Ų | 57 | 69.7 Ų | 69.7 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -33.4 | 170.7 | 76.4 | 0 | 0 | 0 | 0 | 113.1 | P1681 Y1687 Y1688 | P1681-S1684 PolarHBondContact O-OG 3.22Å; S1684-Y1687 PolarHBondContact O-N 3.13Å; S1684-Y1688 WeakPolarHBondContact O-CD2 3.39Å; S1684-Y1688 PolarHBondContact O-N 3.48Å; S1684-Y1688 VanDerWaalsContact O-N 3.08Å |
| 1685 | A | 68.1 | Low | 61.5 | Low | 49 Ų | 49 | 70.1 Ų | 70.1 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.1 | -34.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1681 N1682 E1683 S1689 | P1681-A1685 PolarHBondContact O-N 2.84Å; N1682-A1685 WeakPolarHBondContact O-CB 3.16Å; N1682-A1685 PolarHBondContact O-N 2.86Å; E1683-A1685 VanDerWaalsContact C-N 3.26Å; E1683-A1685 PolarHBondContact O-N 2.84Å; A1685-S1689 WeakPolarHBondContact O-CB 3.2Å; A1685-S1689 PolarHBondContact O-N 3.34Å; A1685-S1689 PolarHBondContact O-OG 3.48Å |
| 1686 | I | 74.1 | Confident | 63.1 | Low | 93 Ų | 93 | 69.8 Ų | 69.8 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 171.1 | -68.1 | 164.1 | 0 | 0 | 0 | 109.8 | N1682 E1683 Y1688 S1689 L1690 | N1682-I1686 WeakPolarHBondContact O-CG1 3.36Å; N1682-I1686 PolarHBondContact O-N 3Å; E1683-I1686 PolarHBondContact O-N 3.45Å; I1686-Y1688 PolarHBondContact O-N 2.93Å; I1686-S1689 PolarHBondContact O-N 3.38Å; I1686-S1689 VanDerWaalsContact O-N 3.14Å; I1686-L1690 HydrophobicContact CG2-CD1 3.79Å; I1686-L1690 HydrophobicContact CG2-CG 4.35Å; I1686-L1690 WeakPolarHBondContact O-CB 3.29Å; I1686-L1690 WeakPolarHBondContact O-CG 3.42Å; I1686-L1690 PolarHBondContact O-N 3.03Å |
| 1687 | Y | 61.6 | Low | 64.7 | Low | 40 Ų | 40 | 70.1 Ų | 70.1 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 177.9 | -167 | -87.9 | 0 | 0 | 0 | 112.4 | L1523 Y1528 E1683 S1684 S1689 L1690 M1691 | L1523-Y1687 HydrophobicContact CB-CE1 4.36Å; L1523-Y1687 HydrophobicContact CB-CE2 4.36Å; L1523-Y1687 HydrophobicContact CD1-CE1 3.88Å; Y1528-Y1687 HydrophobicContact CD2-CD2 4.4Å; Y1528-Y1687 AromaticContact CD2-CE2 3.71Å; Y1528-Y1687 HydrophobicContact CD2-CE2 3.71Å; Y1528-Y1687 AromaticContact CD2-CZ 3.97Å; Y1528-Y1687 AromaticContact CG-CE2 3.91Å; Y1528-Y1687 HydrophobicContact CG-CE2 3.91Å; E1683-Y1687 PolarHBondContact O-N 3.12Å; S1684-Y1687 PolarHBondContact O-N 3.13Å; Y1687-S1689 PolarHBondContact O-N 3.16Å; Y1687-L1690 PolarHBondContact O-N 3.34Å; Y1687-M1691 HydrophobicContact CD1-CE 4.3Å; Y1687-M1691 HydrophobicContact CE1-CE 3.62Å; Y1687-M1691 PolarHBondContact O-N 3.35Å |
| 1688 | Y | 70.6 | Confident | 66.4 | Low | 120 Ų | 120 | 64.5 Ų | 64.5 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.2 | -88.9 | -56.9 | 0 | 0 | 0 | 113.2 | L1520 S1684 I1686 M1691 V1692 | L1520-Y1688 WeakPolarHBondContact CD1-OH 3Å; L1520-Y1688 HydrophobicContact CD2-CD2 4.38Å; L1520-Y1688 HydrophobicContact CD2-CE2 3.46Å; L1520-Y1688 VanDerWaalsContact CD2-CE2 3.46Å; S1684-Y1688 WeakPolarHBondContact O-CD2 3.39Å; S1684-Y1688 PolarHBondContact O-N 3.48Å; S1684-Y1688 VanDerWaalsContact O-N 3.08Å; I1686-Y1688 PolarHBondContact O-N 2.93Å; Y1688-M1691 PolarHBondContact O-N 3Å; Y1688-V1692 WeakPolarHBondContact O-CB 3.2Å; Y1688-V1692 VanDerWaalsContact O-CG2 3.3Å; Y1688-V1692 WeakPolarHBondContact O-CG2 3.41Å; Y1688-V1692 PolarHBondContact O-N 3.3Å |
| 1689 | S | 75.4 | Confident | 68 | Low | 67 Ų | 67 | 65.3 Ų | 65.3 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | A1685 I1686 Y1687 V1692 D1693 | A1685-S1689 WeakPolarHBondContact O-CB 3.2Å; A1685-S1689 PolarHBondContact O-N 3.34Å; A1685-S1689 PolarHBondContact O-OG 3.48Å; I1686-S1689 PolarHBondContact O-N 3.38Å; I1686-S1689 VanDerWaalsContact O-N 3.14Å; Y1687-S1689 PolarHBondContact O-N 3.16Å; S1689-V1692 PolarHBondContact O-N 3.43Å; S1689-D1693 WeakPolarHBondContact O-CB 3.46Å; S1689-D1693 PolarHBondContact O-N 3.03Å |
| 1690 | L | 76.8 | Confident | 69.9 | Low | 26 Ų | 26 | 64 Ų | 64 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.1 | -73.4 | 169.3 | 0 | 0 | 0 | 111.9 | Y1528 F1668 I1686 Y1687 V1692 D1693 T1694 | Y1528-L1690 HydrophobicContact CE1-CD1 4.44Å; Y1528-L1690 HydrophobicContact CE2-CB 4.02Å; Y1528-L1690 WeakPolarHBondContact OH-CB 3.37Å; F1668-L1690 HydrophobicContact CD2-CD2 3.99Å; F1668-L1690 HydrophobicContact CE2-CD2 4.08Å; I1686-L1690 HydrophobicContact CG2-CD1 3.79Å; I1686-L1690 HydrophobicContact CG2-CG 4.35Å; I1686-L1690 WeakPolarHBondContact O-CB 3.29Å; I1686-L1690 WeakPolarHBondContact O-CG 3.42Å; I1686-L1690 PolarHBondContact O-N 3.03Å; Y1687-L1690 PolarHBondContact O-N 3.34Å; L1690-V1692 PolarHBondContact O-N 2.92Å; L1690-D1693 PolarHBondContact O-N 3.48Å; L1690-T1694 PolarHBondContact O-N 3.13Å; L1690-T1694 PolarHBondContact O-OG1 3.01Å; L1690-T1694 VanDerWaalsContact O-OG1 3.04Å |
| 1691 | M | 71.6 | Confident | 71.5 | Confident | 26 Ų | 26 | 62 Ų | 62 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 176.6 | -169.8 | -166.5 | -65.7 | 0 | 0 | 112 | W1531 Y1687 Y1688 D1693 I1695 L1773 | W1531-M1691 HydrophobicContact CH2-CB 4.15Å; W1531-M1691 HydrophobicContact CH2-CG 3.62Å; W1531-M1691 WeakPolarHBondContact CH2-O 3.42Å; W1531-M1691 HydrophobicContact CZ2-CG 3.96Å; W1531-M1691 HydrophobicContact CZ3-CB 4.38Å; W1531-M1691 HydrophobicContact CZ3-CG 4.19Å; Y1687-M1691 HydrophobicContact CD1-CE 4.3Å; Y1687-M1691 HydrophobicContact CE1-CE 3.62Å; Y1687-M1691 PolarHBondContact O-N 3.35Å; Y1688-M1691 PolarHBondContact O-N 3Å; M1691-D1693 VanDerWaalsContact C-N 3.3Å; M1691-D1693 PolarHBondContact O-N 2.95Å; M1691-I1695 HydrophobicContact CG-CD1 4.02Å; M1691-I1695 WeakPolarHBondContact O-CB 3.4Å; M1691-I1695 WeakPolarHBondContact O-CD1 3.41Å; M1691-I1695 VanDerWaalsContact O-CG1 3.26Å; M1691-I1695 WeakPolarHBondContact O-CG1 3.37Å; M1691-I1695 PolarHBondContact O-N 3.47Å; M1691-I1695 VanDerWaalsContact O-N 3.12Å; M1691-L1773 HydrophobicContact CE-CD2 4.49Å; M1691-L1773 HydrophobicContact SD-CD2 4.48Å |
| 1692 | V | 78.7 | Confident | 73 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 47% | 0.473 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | Y1688 S1689 L1690 R1696 | Y1688-V1692 WeakPolarHBondContact O-CB 3.2Å; Y1688-V1692 VanDerWaalsContact O-CG2 3.3Å; Y1688-V1692 WeakPolarHBondContact O-CG2 3.41Å; Y1688-V1692 PolarHBondContact O-N 3.3Å; S1689-V1692 PolarHBondContact O-N 3.43Å; L1690-V1692 PolarHBondContact O-N 2.92Å; V1692-R1696 WeakPolarHBondContact O-CB 3.43Å; V1692-R1696 PolarHBondContact O-N 2.89Å |
| 1693 | D | 75.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.5 | -40.5 | -179.3 | -78.2 | 2.7 | 0 | 0 | 0 | 113.1 | S1689 L1690 M1691 R1696 Y1697 | S1689-D1693 WeakPolarHBondContact O-CB 3.46Å; S1689-D1693 PolarHBondContact O-N 3.03Å; L1690-D1693 PolarHBondContact O-N 3.48Å; M1691-D1693 VanDerWaalsContact C-N 3.3Å; M1691-D1693 PolarHBondContact O-N 2.95Å; D1693-R1696 WeakPolarHBondContact O-CB 3.37Å; D1693-R1696 PolarHBondContact O-N 3.36Å; D1693-R1696 IonicContact OD1-CZ 2.76Å; D1693-R1696 IonicContact OD1-NH1 2.8Å; D1693-R1696 PolarHBondContact OD1-NH1 3.05Å; D1693-R1696 IonicContact OD1-NH2 2.95Å; D1693-R1696 PolarHBondContact OD1-NH2 2.93Å; D1693-R1696 IonicContact OD2-NH1 3.22Å; D1693-Y1697 PolarHBondContact O-N 3.05Å |
| 1694 | T | 70.8 | Confident | 75.1 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.1 | -34.8 | 175.8 | -33.8 | 0 | 0 | 0 | 0 | 111.9 | W1531 M1535 L1690 R1696 Y1697 L1698 | W1531-T1694 HydrophobicContact CH2-CG2 4.29Å; W1531-T1694 HydrophobicContact CZ3-CG2 4.21Å; W1531-T1694 WeakPolarHBondContact CZ3-OG1 3.46Å; M1535-T1694 HydrophobicContact CB-CG2 3.72Å; M1535-T1694 HydrophobicContact CE-CG2 4.2Å; M1535-T1694 HydrophobicContact CG-CG2 4.23Å; L1690-T1694 PolarHBondContact O-N 3.13Å; L1690-T1694 PolarHBondContact O-OG1 3.01Å; L1690-T1694 VanDerWaalsContact O-OG1 3.04Å; T1694-R1696 VanDerWaalsContact C-N 3.34Å; T1694-Y1697 PolarHBondContact O-N 3.26Å; T1694-L1698 PolarHBondContact O-N 3.35Å |
| 1695 | I | 78.9 | Confident | 76.3 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 169.6 | -68.9 | 169.3 | 0 | 0 | 0 | 110.4 | W1531 M1535 M1691 L1698 S1699 | W1531-I1695 HydrophobicContact CH2-CG1 4.18Å; W1531-I1695 HydrophobicContact CZ2-CD1 4.4Å; W1531-I1695 HydrophobicContact CZ2-CG1 3.95Å; M1535-I1695 HydrophobicContact CE-CG1 4.36Å; M1691-I1695 HydrophobicContact CG-CD1 4.02Å; M1691-I1695 WeakPolarHBondContact O-CB 3.4Å; M1691-I1695 WeakPolarHBondContact O-CD1 3.41Å; M1691-I1695 VanDerWaalsContact O-CG1 3.26Å; M1691-I1695 WeakPolarHBondContact O-CG1 3.37Å; M1691-I1695 PolarHBondContact O-N 3.47Å; M1691-I1695 VanDerWaalsContact O-N 3.12Å; I1695-L1698 PolarHBondContact O-N 3.46Å; I1695-S1699 WeakPolarHBondContact O-CB 3.36Å; I1695-S1699 PolarHBondContact O-N 2.85Å |
| 1696 | R | 79.9 | Confident | 76.9 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 175.3 | -165.6 | -169.4 | -56 | 127.7 | 11.1 | 111 | V1692 D1693 T1694 L1698 S1699 I1700 | V1692-R1696 WeakPolarHBondContact O-CB 3.43Å; V1692-R1696 PolarHBondContact O-N 2.89Å; D1693-R1696 WeakPolarHBondContact O-CB 3.37Å; D1693-R1696 PolarHBondContact O-N 3.36Å; D1693-R1696 IonicContact OD1-CZ 2.76Å; D1693-R1696 IonicContact OD1-NH1 2.8Å; D1693-R1696 PolarHBondContact OD1-NH1 3.05Å; D1693-R1696 IonicContact OD1-NH2 2.95Å; D1693-R1696 PolarHBondContact OD1-NH2 2.93Å; D1693-R1696 IonicContact OD2-NH1 3.22Å; T1694-R1696 VanDerWaalsContact C-N 3.34Å; R1696-L1698 PolarHBondContact O-N 3.04Å; R1696-S1699 PolarHBondContact O-N 3.31Å; R1696-S1699 PolarHBondContact O-OG 3.2Å; R1696-I1700 HydrophobicContact CG-CD1 4.27Å; R1696-I1700 WeakPolarHBondContact O-CG1 3.41Å; R1696-I1700 PolarHBondContact O-N 3.44Å; R1696-I1700 VanDerWaalsContact O-N 3.1Å |
| 1697 | Y | 78.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 177.7 | 175.6 | -112.9 | 0 | 0 | 0 | 112.4 | A1539 D1693 T1694 S1699 I1700 K1701 | A1539-Y1697 HydrophobicContact CB-CD1 4.33Å; A1539-Y1697 HydrophobicContact CB-CE1 3.52Å; D1693-Y1697 PolarHBondContact O-N 3.05Å; T1694-Y1697 PolarHBondContact O-N 3.26Å; Y1697-S1699 VanDerWaalsContact C-N 3.34Å; Y1697-S1699 PolarHBondContact O-N 3.24Å; Y1697-I1700 PolarHBondContact O-N 2.9Å; Y1697-K1701 HydrophobicContact CE1-CG 4.45Å; Y1697-K1701 HydrophobicContact CE2-CG 4.15Å; Y1697-K1701 PolarHBondContact O-N 3.18Å; Y1697-K1701 VanDerWaalsContact O-N 3.08Å |
| 1698 | L | 81.4 | Confident | 78.2 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.7 | 177.1 | 57.1 | 0 | 0 | 0 | 112.1 | M1535 L1538 L1542 T1694 I1695 R1696 I1700 K1701 L1702 | M1535-L1698 HydrophobicContact CE-CB 3.8Å; M1535-L1698 HydrophobicContact CE-CD2 3.7Å; M1535-L1698 HydrophobicContact CE-CG 4.4Å; M1535-L1698 HydrophobicContact SD-CD2 3.76Å; L1538-L1698 HydrophobicContact CD2-CD1 3.46Å; L1538-L1698 VanDerWaalsContact CD2-CD1 3.46Å; L1538-L1698 HydrophobicContact CD2-CD2 4.19Å; L1538-L1698 HydrophobicContact CD2-CG 4.48Å; L1542-L1698 HydrophobicContact CD1-CD1 3.8Å; T1694-L1698 PolarHBondContact O-N 3.35Å; I1695-L1698 PolarHBondContact O-N 3.46Å; R1696-L1698 PolarHBondContact O-N 3.04Å; L1698-I1700 VanDerWaalsContact C-N 3.26Å; L1698-I1700 PolarHBondContact O-N 2.75Å; L1698-K1701 PolarHBondContact O-N 3.05Å; L1698-K1701 VanDerWaalsContact O-N 3.09Å; L1698-L1702 HydrophobicContact CD1-CD1 4.16Å; L1698-L1702 HydrophobicContact CD1-CG 4.05Å; L1698-L1702 HydrophobicContact CG-CD1 4Å; L1698-L1702 HydrophobicContact CG-CG 4.39Å; L1698-L1702 PolarHBondContact O-N 2.8Å |
| 1699 | S | 77.4 | Confident | 78.7 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 178 | 79.7 | 0 | 0 | 0 | 0 | 112.8 | I1695 R1696 Y1697 R1703 | I1695-S1699 WeakPolarHBondContact O-CB 3.36Å; I1695-S1699 PolarHBondContact O-N 2.85Å; R1696-S1699 PolarHBondContact O-N 3.31Å; R1696-S1699 PolarHBondContact O-OG 3.2Å; Y1697-S1699 VanDerWaalsContact C-N 3.34Å; Y1697-S1699 PolarHBondContact O-N 3.24Å; S1699-R1703 PolarHBondContact O-N 3.16Å |
| 1700 | I | 81 | Confident | 78.9 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 174.6 | -66.5 | 164.1 | 0 | 0 | 0 | 110.3 | R1696 Y1697 L1698 R1703 Q1704 | R1696-I1700 HydrophobicContact CG-CD1 4.27Å; R1696-I1700 WeakPolarHBondContact O-CG1 3.41Å; R1696-I1700 PolarHBondContact O-N 3.44Å; R1696-I1700 VanDerWaalsContact O-N 3.1Å; Y1697-I1700 PolarHBondContact O-N 2.9Å; L1698-I1700 VanDerWaalsContact C-N 3.26Å; L1698-I1700 PolarHBondContact O-N 2.75Å; I1700-R1703 PolarHBondContact O-N 3.09Å; I1700-Q1704 HydrophobicContact CG2-CG 4.47Å; I1700-Q1704 WeakPolarHBondContact O-CG 3.26Å; I1700-Q1704 PolarHBondContact O-N 2.65Å |
| 1701 | K | 81.4 | Confident | 79.1 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 13% | 0.13 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.6 | -75.2 | -75.7 | 167.9 | -161 | 0 | 113.1 | A1539 L1542 N1543 Y1697 L1698 R1703 Q1704 F1705 | A1539-K1701 HydrophobicContact CB-CG 4.15Å; L1542-K1701 HydrophobicContact CD1-CB 4.24Å; N1543-K1701 WeakPolarHBondContact OD1-CD 3.49Å; N1543-K1701 PolarHBondContact OD1-NZ 3.08Å; Y1697-K1701 HydrophobicContact CE1-CG 4.45Å; Y1697-K1701 HydrophobicContact CE2-CG 4.15Å; Y1697-K1701 PolarHBondContact O-N 3.18Å; Y1697-K1701 VanDerWaalsContact O-N 3.08Å; L1698-K1701 PolarHBondContact O-N 3.05Å; L1698-K1701 VanDerWaalsContact O-N 3.09Å; K1701-R1703 VanDerWaalsContact C-N 3.32Å; K1701-R1703 PolarHBondContact O-N 3.35Å; K1701-Q1704 PolarHBondContact O-N 2.92Å; K1701-F1705 PolarHBondContact O-N 3.43Å |
| 1702 | L | 79.1 | Confident | 79.4 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 29% | 0.288 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 173.2 | -75.2 | 166.3 | 0 | 0 | 0 | 112 | L1542 L1698 F1705 S1706 | L1542-L1702 HydrophobicContact CD1-CD2 3.61Å; L1542-L1702 HydrophobicContact CD1-CG 3.85Å; L1542-L1702 HydrophobicContact CD2-CD2 3.99Å; L1542-L1702 HydrophobicContact CG-CD2 4.47Å; L1698-L1702 HydrophobicContact CD1-CD1 4.16Å; L1698-L1702 HydrophobicContact CD1-CG 4.05Å; L1698-L1702 HydrophobicContact CG-CD1 4Å; L1698-L1702 HydrophobicContact CG-CG 4.39Å; L1698-L1702 PolarHBondContact O-N 2.8Å; L1702-F1705 PolarHBondContact O-N 3.12Å; L1702-S1706 WeakPolarHBondContact O-CB 3.45Å; L1702-S1706 PolarHBondContact O-N 3.44Å |
| 1703 | R | 80.9 | Confident | 79.3 | Confident | 137 Ų | 137 | 69 Ų | 69 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | 173.8 | -175.2 | 174.9 | -68.3 | 173.4 | -4.2 | 111.9 | S1699 I1700 K1701 F1705 S1706 D1707 | S1699-R1703 PolarHBondContact O-N 3.16Å; I1700-R1703 PolarHBondContact O-N 3.09Å; K1701-R1703 VanDerWaalsContact C-N 3.32Å; K1701-R1703 PolarHBondContact O-N 3.35Å; R1703-F1705 PolarHBondContact O-N 2.92Å; R1703-S1706 WeakPolarHBondContact O-CB 3.37Å; R1703-S1706 PolarHBondContact O-N 2.69Å; R1703-S1706 VanDerWaalsContact O-N 3.08Å; R1703-D1707 WeakPolarHBondContact CG-OD2 3.43Å; R1703-D1707 VanDerWaalsContact O-CG 3.24Å; R1703-D1707 PolarHBondContact O-N 2.98Å |
| 1704 | Q | 80.4 | Confident | 79.5 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.3 | -34.7 | 176.3 | -74.7 | 179.2 | -4.8 | 0 | 0 | 113 | I1700 K1701 K1708 | I1700-Q1704 HydrophobicContact CG2-CG 4.47Å; I1700-Q1704 WeakPolarHBondContact O-CG 3.26Å; I1700-Q1704 PolarHBondContact O-N 2.65Å; K1701-Q1704 PolarHBondContact O-N 2.92Å; Q1704-K1708 WeakPolarHBondContact O-CD 3.16Å; Q1704-K1708 VanDerWaalsContact O-CG 3.3Å; Q1704-K1708 WeakPolarHBondContact O-CG 3.3Å; Q1704-K1708 PolarHBondContact O-N 3.38Å |
| 1705 | F | 80.2 | Confident | 79.9 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.7 | -50.7 | 173.2 | 176.9 | -100.9 | 0 | 0 | 0 | 111.7 | L1542 L1545 A1546 K1701 L1702 R1703 D1707 K1708 L1709 | L1542-F1705 HydrophobicContact CD2-CB 4.19Å; L1542-F1705 HydrophobicContact CD2-CD1 4.23Å; L1542-F1705 HydrophobicContact CD2-CD2 4.44Å; L1542-F1705 HydrophobicContact CD2-CG 4.01Å; L1545-F1705 HydrophobicContact CB-CD2 4.48Å; L1545-F1705 HydrophobicContact CB-CE2 3.8Å; L1545-F1705 HydrophobicContact CD2-CE2 3.67Å; L1545-F1705 HydrophobicContact CD2-CZ 3.55Å; L1545-F1705 HydrophobicContact CG-CE2 3.63Å; L1545-F1705 HydrophobicContact CG-CZ 3.95Å; A1546-F1705 HydrophobicContact CB-CD2 4.11Å; K1701-F1705 PolarHBondContact O-N 3.43Å; L1702-F1705 PolarHBondContact O-N 3.12Å; R1703-F1705 PolarHBondContact O-N 2.92Å; F1705-D1707 PolarHBondContact O-N 2.95Å; F1705-K1708 PolarHBondContact O-N 3.45Å; F1705-L1709 HydrophobicContact CE1-CD1 3.85Å; F1705-L1709 HydrophobicContact CZ-CD1 3.67Å; F1705-L1709 WeakPolarHBondContact O-CB 3.47Å; F1705-L1709 PolarHBondContact O-N 3.19Å |
| 1706 | S | 80.4 | Confident | 79.6 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | L1702 R1703 K1708 L1709 A1710 | L1702-S1706 WeakPolarHBondContact O-CB 3.45Å; L1702-S1706 PolarHBondContact O-N 3.44Å; R1703-S1706 WeakPolarHBondContact O-CB 3.37Å; R1703-S1706 PolarHBondContact O-N 2.69Å; R1703-S1706 VanDerWaalsContact O-N 3.08Å; S1706-K1708 PolarHBondContact O-N 3.03Å; S1706-L1709 PolarHBondContact O-N 3.32Å; S1706-A1710 WeakPolarHBondContact O-CB 3.02Å; S1706-A1710 PolarHBondContact O-N 3.04Å |
| 1707 | D | 82.9 | Confident | 79.3 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | -177.7 | -61.4 | -24.2 | 0 | 0 | 0 | 111.6 | R1703 F1705 Y1711 | R1703-D1707 WeakPolarHBondContact CG-OD2 3.43Å; R1703-D1707 VanDerWaalsContact O-CG 3.24Å; R1703-D1707 PolarHBondContact O-N 2.98Å; F1705-D1707 PolarHBondContact O-N 2.95Å; D1707-Y1711 WeakPolarHBondContact O-CB 3.05Å; D1707-Y1711 PolarHBondContact O-N 3.46Å |
| 1708 | K | 81.6 | Confident | 78.8 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 174.3 | -74.8 | 174.9 | 178.3 | -178 | 0 | 112.4 | A1546 Q1704 F1705 S1706 Y1711 R1712 | A1546-K1708 HydrophobicContact CB-CD 3.72Å; Q1704-K1708 WeakPolarHBondContact O-CD 3.16Å; Q1704-K1708 VanDerWaalsContact O-CG 3.3Å; Q1704-K1708 WeakPolarHBondContact O-CG 3.3Å; Q1704-K1708 PolarHBondContact O-N 3.38Å; F1705-K1708 PolarHBondContact O-N 3.45Å; S1706-K1708 PolarHBondContact O-N 3.03Å; K1708-Y1711 PolarHBondContact O-N 2.96Å; K1708-R1712 WeakPolarHBondContact O-CB 3.42Å; K1708-R1712 WeakPolarHBondContact O-CD 3.4Å; K1708-R1712 VanDerWaalsContact O-CG 3.23Å; K1708-R1712 WeakPolarHBondContact O-CG 3.45Å; K1708-R1712 PolarHBondContact O-N 3.29Å |
| 1709 | L | 80.3 | Confident | 78 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 178.1 | -169.5 | 145.1 | 0 | 0 | 0 | 111 | F1705 S1706 R1712 L1713 T1755 | F1705-L1709 HydrophobicContact CE1-CD1 3.85Å; F1705-L1709 HydrophobicContact CZ-CD1 3.67Å; F1705-L1709 WeakPolarHBondContact O-CB 3.47Å; F1705-L1709 PolarHBondContact O-N 3.19Å; S1706-L1709 PolarHBondContact O-N 3.32Å; L1709-R1712 PolarHBondContact O-N 2.96Å; L1709-L1713 HydrophobicContact CD2-CD1 3.68Å; L1709-L1713 HydrophobicContact CD2-CG 4.3Å; L1709-L1713 WeakPolarHBondContact O-CG 3.4Å; L1709-L1713 PolarHBondContact O-N 2.98Å; L1709-T1755 HydrophobicContact CD1-CG2 3.85Å |
| 1710 | A | 80.3 | Confident | 77.4 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 45% | 0.446 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1706 R1712 L1713 S1714 | S1706-A1710 WeakPolarHBondContact O-CB 3.02Å; S1706-A1710 PolarHBondContact O-N 3.04Å; A1710-R1712 PolarHBondContact O-N 3.48Å; A1710-L1713 PolarHBondContact O-N 2.99Å; A1710-S1714 PolarHBondContact O-N 2.89Å |
| 1711 | Y | 79.4 | Confident | 76 | Confident | 155 Ų | 155 | 82.8 Ų | 82.8 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.6 | -49.6 | 174.5 | -178.1 | -92.9 | 0 | 0 | 0 | 111.5 | D1707 K1708 L1713 S1714 Y1715 | D1707-Y1711 WeakPolarHBondContact O-CB 3.05Å; D1707-Y1711 PolarHBondContact O-N 3.46Å; K1708-Y1711 PolarHBondContact O-N 2.96Å; Y1711-L1713 PolarHBondContact O-N 2.98Å; Y1711-S1714 PolarHBondContact O-N 2.77Å; Y1711-S1714 PolarHBondContact O-OG 3.07Å; Y1711-Y1715 WeakPolarHBondContact O-CB 3.08Å; Y1711-Y1715 PolarHBondContact O-N 3.02Å |
| 1712 | R | 77.8 | Confident | 74.8 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 21% | 0.211 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 178.1 | -75.4 | 164.2 | 167.5 | -149.6 | -17.1 | 112.6 | L1545 A1546 K1547 E1548 K1708 L1709 A1710 S1714 Y1715 N1716 | L1545-R1712 PolarHBondContact O-NH1 3.01Å; A1546-R1712 PolarHBondContact O-NH2 3.43Å; K1547-R1712 VanDerWaalsContact C-NH2 3.32Å; K1547-R1712 PolarHBondContact O-NH2 3.32Å; E1548-R1712 PolarHBondContact O-NH1 2.89Å; E1548-R1712 PolarHBondContact O-NH2 3.28Å; K1708-R1712 WeakPolarHBondContact O-CB 3.42Å; K1708-R1712 WeakPolarHBondContact O-CD 3.4Å; K1708-R1712 VanDerWaalsContact O-CG 3.23Å; K1708-R1712 WeakPolarHBondContact O-CG 3.45Å; K1708-R1712 PolarHBondContact O-N 3.29Å; L1709-R1712 PolarHBondContact O-N 2.96Å; A1710-R1712 PolarHBondContact O-N 3.48Å; R1712-S1714 PolarHBondContact O-N 3.45Å; R1712-Y1715 PolarHBondContact O-N 3.24Å; R1712-N1716 WeakPolarHBondContact O-CB 3.14Å; R1712-N1716 PolarHBondContact O-N 3.17Å; R1712-N1716 PolarHBondContact O-ND2 3.47Å |
| 1713 | L | 77.4 | Confident | 73.2 | Confident | 71 Ų | 71 | 87.9 Ų | 87.9 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.7 | -70.9 | 175.1 | 0 | 0 | 0 | 111.9 | L1709 A1710 Y1711 N1716 Q1717 L1752 | L1709-L1713 HydrophobicContact CD2-CD1 3.68Å; L1709-L1713 HydrophobicContact CD2-CG 4.3Å; L1709-L1713 WeakPolarHBondContact O-CG 3.4Å; L1709-L1713 PolarHBondContact O-N 2.98Å; A1710-L1713 PolarHBondContact O-N 2.99Å; Y1711-L1713 PolarHBondContact O-N 2.98Å; L1713-N1716 PolarHBondContact O-N 2.88Å; L1713-Q1717 WeakPolarHBondContact O-CB 3.3Å; L1713-Q1717 PolarHBondContact O-N 3.23Å; L1713-L1752 HydrophobicContact CD2-CD2 4.03Å |
| 1714 | S | 79 | Confident | 71.3 | Confident | 47 Ų | 47 | 84.8 Ų | 84.8 | 33% | 0.329 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.5 | 78 | 0 | 0 | 0 | 0 | 112.6 | A1710 Y1711 R1712 Q1717 Q1718 | A1710-S1714 PolarHBondContact O-N 2.89Å; Y1711-S1714 PolarHBondContact O-N 2.77Å; Y1711-S1714 PolarHBondContact O-OG 3.07Å; R1712-S1714 PolarHBondContact O-N 3.45Å; S1714-Q1717 PolarHBondContact O-N 3.37Å; S1714-Q1718 WeakPolarHBondContact O-CG 3.43Å; S1714-Q1718 PolarHBondContact O-N 3.13Å |
| 1715 | Y | 78.8 | Confident | 69.2 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 45% | 0.451 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 178 | -177.5 | -110.1 | 0 | 0 | 0 | 111.8 | Y1711 R1712 Q1718 Q1719 | Y1711-Y1715 WeakPolarHBondContact O-CB 3.08Å; Y1711-Y1715 PolarHBondContact O-N 3.02Å; R1712-Y1715 PolarHBondContact O-N 3.24Å; Y1715-Q1718 PolarHBondContact O-N 3.48Å; Y1715-Q1719 HydrophobicContact CE1-CG 4.42Å; Y1715-Q1719 PolarHBondContact O-N 2.86Å |
| 1716 | N | 73.2 | Confident | 67.1 | Low | 42 Ų | 42 | 91.8 Ų | 91.8 | 23% | 0.225 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 176.7 | -66.4 | -20.7 | 0 | 0 | 0 | 111.6 | F1551 R1712 L1713 Q1718 Q1719 A1720 | F1551-N1716 HydrophobicContact CE2-CB 4.43Å; F1551-N1716 WeakPolarHBondContact CE2-ND2 3.39Å; R1712-N1716 WeakPolarHBondContact O-CB 3.14Å; R1712-N1716 PolarHBondContact O-N 3.17Å; R1712-N1716 PolarHBondContact O-ND2 3.47Å; L1713-N1716 PolarHBondContact O-N 2.88Å; N1716-Q1718 VanDerWaalsContact C-N 3.35Å; N1716-Q1719 PolarHBondContact O-N 3.45Å; N1716-A1720 WeakPolarHBondContact O-CB 3.44Å; N1716-A1720 PolarHBondContact O-N 3.33Å |
| 1717 | Q | 73.2 | Confident | 64.9 | Low | 136 Ų | 136 | 94.7 Ų | 94.7 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -35.6 | 173.1 | -174.1 | 170.4 | 68.9 | 0 | 0 | 112.5 | L1713 S1714 N1721 | L1713-Q1717 WeakPolarHBondContact O-CB 3.3Å; L1713-Q1717 PolarHBondContact O-N 3.23Å; S1714-Q1717 PolarHBondContact O-N 3.37Å; Q1717-N1721 PolarHBondContact O-N 3.03Å; Q1717-N1721 PolarHBondContact O-ND2 3.24Å |
| 1718 | Q | 69.3 | Low | 62.7 | Low | 126 Ų | 126 | 96.5 Ų | 96.5 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.5 | -44.9 | 174.1 | -73.3 | 174.9 | 20.3 | 0 | 0 | 112.1 | S1714 Y1715 N1716 A1720 N1721 A1722 | S1714-Q1718 WeakPolarHBondContact O-CG 3.43Å; S1714-Q1718 PolarHBondContact O-N 3.13Å; Y1715-Q1718 PolarHBondContact O-N 3.48Å; N1716-Q1718 VanDerWaalsContact C-N 3.35Å; Q1718-A1720 PolarHBondContact O-N 2.93Å; Q1718-N1721 PolarHBondContact O-N 3.33Å; Q1718-A1722 WeakPolarHBondContact O-CB 3.48Å; Q1718-A1722 PolarHBondContact O-N 2.88Å |
| 1719 | Q | 64.8 | Low | 60.5 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 49% | 0.486 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.6 | -43.7 | 175.2 | -74.7 | -166.5 | 80.4 | 0 | 0 | 112.5 | Y1715 N1716 N1721 A1722 S1723 | Y1715-Q1719 HydrophobicContact CE1-CG 4.42Å; Y1715-Q1719 PolarHBondContact O-N 2.86Å; N1716-Q1719 PolarHBondContact O-N 3.45Å; Q1719-N1721 PolarHBondContact O-N 2.88Å; Q1719-A1722 PolarHBondContact O-N 2.98Å; Q1719-S1723 PolarHBondContact O-N 3.2Å |
| 1720 | A | 63.7 | Low | 58.5 | Low | 76 Ų | 76 | 102 Ų | 102 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -33.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1716 Q1718 | N1716-A1720 WeakPolarHBondContact O-CB 3.44Å; N1716-A1720 PolarHBondContact O-N 3.33Å; Q1718-A1720 PolarHBondContact O-N 2.93Å |
| 1721 | N | 53.1 | Low | 56.5 | Low | 122 Ų | 122 | 105.2 Ų | 105.2 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82 | -36.3 | 177.5 | -70.5 | -26.4 | 0 | 0 | 0 | 113 | Q1717 Q1718 Q1719 S1723 G1724 | Q1717-N1721 PolarHBondContact O-N 3.03Å; Q1717-N1721 PolarHBondContact O-ND2 3.24Å; Q1718-N1721 PolarHBondContact O-N 3.33Å; Q1719-N1721 PolarHBondContact O-N 2.88Å; N1721-S1723 VanDerWaalsContact C-N 3.33Å; N1721-S1723 PolarHBondContact O-N 3.46Å; N1721-G1724 PolarHBondContact O-N 2.75Å |
| 1722 | A | 55.4 | Low | 54.6 | Low | 79 Ų | 79 | 102.3 Ų | 102.3 | 65% | 0.653 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.5 | -29.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1718 Q1719 G1724 | Q1718-A1722 WeakPolarHBondContact O-CB 3.48Å; Q1718-A1722 PolarHBondContact O-N 2.88Å; Q1719-A1722 PolarHBondContact O-N 2.98Å; A1722-G1724 PolarHBondContact O-N 3.08Å; A1722-G1724 VanDerWaalsContact O-N 3.1Å |
| 1723 | S | 44.5 | Very low | 52.9 | Low | 113 Ų | 113 | 106.6 Ų | 106.6 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -6.7 | -178.7 | -160.1 | 0 | 0 | 0 | 0 | 114.4 | Q1719 N1721 S1725 | Q1719-S1723 PolarHBondContact O-N 3.2Å; N1721-S1723 VanDerWaalsContact C-N 3.33Å; N1721-S1723 PolarHBondContact O-N 3.46Å; S1723-S1725 PolarHBondContact O-N 3.41Å |
| 1724 | G | 42.4 | Very low | 51.1 | Low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -2.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | N1721 A1722 | N1721-G1724 PolarHBondContact O-N 2.75Å; A1722-G1724 PolarHBondContact O-N 3.08Å; A1722-G1724 VanDerWaalsContact O-N 3.1Å |
| 1725 | S | 35.1 | Very low | 49.3 | Very low | 96 Ų | 96 | 114.4 Ų | 114.4 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | | | trans | -126.5 | 76.5 | -164.8 | -179.2 | 0 | 0 | 0 | 0 | 115 | S1723 | S1723-S1725 PolarHBondContact O-N 3.41Š|
| 1726 | N | 37.4 | Very low | 47.4 | Very low | 172 Ų | 172 | 112.8 Ų | 112.8 | 92% | 0.92 | 65% | 0.654 | S | S | * | * | | | trans | -151 | 128.4 | 151.5 | -95.5 | -44.2 | 0 | 0 | 0 | 109.9 | | |
| 1727 | T | 34.4 | Very low | 46 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | | | trans | -105.2 | 158.2 | -167.9 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1728 | T | 34.8 | Very low | 44.3 | Very low | 132 Ų | 132 | 114.9 Ų | 114.9 | 81% | 0.81 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 81 | 44.5 | 159.3 | -29.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1729 | E | 36.9 | Very low | 42.9 | Very low | 174 Ų | 174 | 115.4 Ų | 115.4 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | | | trans | -157.1 | 173 | 149.5 | -124.1 | 172.4 | -136.9 | 0 | 0 | 112.3 | | |
| 1730 | L | 37.2 | Very low | 41.9 | Very low | 70 Ų | 70 | 115.4 Ų | 115.4 | 37% | 0.366 | 67% | 0.67 | S | S | . | * | | | trans | 67.6 | 60.5 | 164.9 | -54.1 | 132 | 0 | 0 | 0 | 118 | S1732 R1733 | L1730-S1732 PolarHBondContact O-N 3.36Å; L1730-R1733 HydrophobicContact CB-CB 4.46Å; L1730-R1733 HydrophobicContact CB-CG 4.03Å; L1730-R1733 HydrophobicContact CD2-CG 4.3Å; L1730-R1733 PolarHBondContact O-N 3.21Å; L1730-R1733 VanDerWaalsContact O-N 3.15Å |
| 1731 | S | 38.2 | Very low | 40.9 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -4.6 | 163.7 | -171.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1732 | S | 40.2 | Very low | 40.4 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -20.2 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | L1730 Y1734 | L1730-S1732 PolarHBondContact O-N 3.36Å; S1732-Y1734 VanDerWaalsContact C-N 3.31Å; S1732-Y1734 PolarHBondContact O-N 3.33Å |
| 1733 | R | 42.6 | Very low | 39.8 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 56% | 0.555 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -14.1 | 180 | -73.9 | -174.6 | -171.2 | 175.5 | 10.3 | 114 | L1730 V1735 S1736 I1737 | L1730-R1733 HydrophobicContact CB-CB 4.46Å; L1730-R1733 HydrophobicContact CB-CG 4.03Å; L1730-R1733 HydrophobicContact CD2-CG 4.3Å; L1730-R1733 PolarHBondContact O-N 3.21Å; L1730-R1733 VanDerWaalsContact O-N 3.15Å; R1733-V1735 VanDerWaalsContact C-N 3.26Å; R1733-V1735 PolarHBondContact O-N 2.85Å; R1733-V1735 VanDerWaalsContact O-N 3.16Å; R1733-S1736 PolarHBondContact O-N 3.32Å; R1733-I1737 HydrophobicContact CB-CD1 3.93Å; R1733-I1737 WeakPolarHBondContact O-CG1 3.36Å; R1733-I1737 PolarHBondContact O-N 2.98Å |
| 1734 | Y | 38.5 | Very low | 39.8 | Very low | 177 Ų | 177 | 118.9 Ų | 118.9 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -23.5 | -167.3 | -115.3 | -90.1 | 0 | 0 | 0 | 115.2 | S1732 | S1732-Y1734 VanDerWaalsContact C-N 3.31Å; S1732-Y1734 PolarHBondContact O-N 3.33Å |
| 1735 | V | 42.4 | Very low | 39.9 | Very low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -48.4 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | R1733 I1737 Q1738 Q1739 | R1733-V1735 VanDerWaalsContact C-N 3.26Å; R1733-V1735 PolarHBondContact O-N 2.85Å; R1733-V1735 VanDerWaalsContact O-N 3.16Å; V1735-I1737 PolarHBondContact O-N 3.26Å; V1735-Q1738 PolarHBondContact O-N 3.41Å; V1735-Q1738 VanDerWaalsContact O-N 3.1Å; V1735-Q1739 PolarHBondContact O-N 3.45Å |
| 1736 | S | 39.2 | Very low | 40.2 | Very low | 81 Ų | 81 | 119.8 Ų | 119.8 | 57% | 0.566 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61 | -31.1 | 179.4 | -48.3 | 0 | 0 | 0 | 0 | 113 | R1733 Q1738 N1740 | R1733-S1736 PolarHBondContact O-N 3.32Å; S1736-Q1738 VanDerWaalsContact C-N 3.35Å; S1736-N1740 WeakPolarHBondContact O-CB 3.34Å; S1736-N1740 PolarHBondContact O-N 2.79Å |
| 1737 | I | 42.8 | Very low | 40.6 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 43% | 0.426 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.5 | -21.9 | 179.1 | -66.6 | 168.2 | 0 | 0 | 0 | 112.5 | R1733 V1735 R1741 | R1733-I1737 HydrophobicContact CB-CD1 3.93Å; R1733-I1737 WeakPolarHBondContact O-CG1 3.36Å; R1733-I1737 PolarHBondContact O-N 2.98Å; V1735-I1737 PolarHBondContact O-N 3.26Å; I1737-R1741 WeakPolarHBondContact O-CG 3.4Å |
| 1738 | Q | 38.5 | Very low | 41.3 | Very low | 138 Ų | 138 | 110.7 Ų | 110.7 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.6 | -47.4 | 171.3 | -67.7 | -165 | -88.5 | 0 | 0 | 110.9 | V1735 S1736 N1740 R1741 | V1735-Q1738 PolarHBondContact O-N 3.41Å; V1735-Q1738 VanDerWaalsContact O-N 3.1Å; S1736-Q1738 VanDerWaalsContact C-N 3.35Å; Q1738-N1740 PolarHBondContact O-N 2.7Å; Q1738-R1741 WeakPolarHBondContact O-CB 3.42Å; Q1738-R1741 PolarHBondContact O-N 3.21Å; Q1738-R1741 VanDerWaalsContact O-N 3.16Å |
| 1739 | Q | 39.8 | Very low | 42.6 | Very low | 138 Ų | 138 | 111.5 Ų | 111.5 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.6 | -46.6 | -176.3 | -153.6 | 161.5 | -4.8 | 0 | 0 | 111.7 | V1735 R1741 D1742 | V1735-Q1739 PolarHBondContact O-N 3.45Å; Q1739-R1741 PolarHBondContact O-N 3.37Å; Q1739-D1742 PolarHBondContact O-N 3.47Å |
| 1740 | N | 42.1 | Very low | 43.4 | Very low | 104 Ų | 104 | 110.1 Ų | 110.1 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.7 | -17.5 | 178.8 | -155.6 | -55.2 | 0 | 0 | 0 | 113.5 | S1736 Q1738 V1744 | S1736-N1740 WeakPolarHBondContact O-CB 3.34Å; S1736-N1740 PolarHBondContact O-N 2.79Å; Q1738-N1740 PolarHBondContact O-N 2.7Å; N1740-V1744 WeakPolarHBondContact O-CG2 3.13Å; N1740-V1744 PolarHBondContact O-N 3Å |
| 1741 | R | 44.6 | Very low | 44.2 | Very low | 172 Ų | 172 | 108.2 Ų | 108.2 | 65% | 0.649 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.5 | -34.3 | 174.7 | -89.1 | -179.9 | 169.4 | -178.1 | -2.1 | 113.1 | I1737 Q1738 Q1739 Q1745 | I1737-R1741 WeakPolarHBondContact O-CG 3.4Å; Q1738-R1741 WeakPolarHBondContact O-CB 3.42Å; Q1738-R1741 PolarHBondContact O-N 3.21Å; Q1738-R1741 VanDerWaalsContact O-N 3.16Å; Q1739-R1741 PolarHBondContact O-N 3.37Å; R1741-Q1745 WeakPolarHBondContact O-CB 3.37Å; R1741-Q1745 WeakPolarHBondContact O-CG 3.33Å; R1741-Q1745 PolarHBondContact O-N 3.33Å; R1741-Q1745 VanDerWaalsContact O-N 3.08Å |
| 1742 | D | 41.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75 | -34.5 | -178.9 | -62.7 | -24.1 | 0 | 0 | 0 | 110.6 | Q1739 S1746 | Q1739-D1742 PolarHBondContact O-N 3.47Å; D1742-S1746 WeakPolarHBondContact O-CB 3.48Å; D1742-S1746 PolarHBondContact O-N 3.02Å; D1742-S1746 PolarHBondContact O-OG 3.2Å |
| 1743 | D | 43.6 | Very low | 46.4 | Very low | 98 Ų | 98 | 105.7 Ų | 105.7 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 173.3 | -60.6 | -35.6 | 0 | 0 | 0 | 111.9 | Q1745 S1746 S1747 | D1743-Q1745 PolarHBondContact O-N 3.47Å; D1743-S1746 WeakPolarHBondContact CA-OG 3.48Å; D1743-S1746 PolarHBondContact O-N 2.93Å; D1743-S1746 PolarHBondContact O-OG 3.02Å; D1743-S1747 WeakPolarHBondContact O-CB 3.49Å; D1743-S1747 PolarHBondContact O-N 3.14Å |
| 1744 | V | 43.8 | Very low | 47.4 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | N1740 T1748 | N1740-V1744 WeakPolarHBondContact O-CG2 3.13Å; N1740-V1744 PolarHBondContact O-N 3Å; V1744-T1748 WeakPolarHBondContact O-CB 3.35Å; V1744-T1748 PolarHBondContact O-N 3.43Å; V1744-T1748 VanDerWaalsContact O-N 3.09Å; V1744-T1748 PolarHBondContact O-OG1 3.08Å |
| 1745 | Q | 45.3 | Very low | 48.3 | Very low | 139 Ų | 139 | 96.2 Ų | 96.2 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.2 | -37.1 | 175.5 | -77 | -169.9 | 12.5 | 0 | 0 | 112.8 | R1741 D1743 K1749 | R1741-Q1745 WeakPolarHBondContact O-CB 3.37Å; R1741-Q1745 WeakPolarHBondContact O-CG 3.33Å; R1741-Q1745 PolarHBondContact O-N 3.33Å; R1741-Q1745 VanDerWaalsContact O-N 3.08Å; D1743-Q1745 PolarHBondContact O-N 3.47Å; Q1745-K1749 WeakPolarHBondContact O-CB 3.27Å; Q1745-K1749 PolarHBondContact O-N 3.47Å; Q1745-K1749 VanDerWaalsContact O-N 3.12Å |
| 1746 | S | 40.3 | Very low | 49.2 | Very low | 48 Ų | 48 | 97.2 Ų | 97.2 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71 | -45.6 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 112 | D1742 D1743 T1748 K1749 Y1750 | D1742-S1746 WeakPolarHBondContact O-CB 3.48Å; D1742-S1746 PolarHBondContact O-N 3.02Å; D1742-S1746 PolarHBondContact O-OG 3.2Å; D1743-S1746 WeakPolarHBondContact CA-OG 3.48Å; D1743-S1746 PolarHBondContact O-N 2.93Å; D1743-S1746 PolarHBondContact O-OG 3.02Å; S1746-T1748 PolarHBondContact O-N 2.74Å; S1746-K1749 WeakPolarHBondContact O-CB 3.08Å; S1746-K1749 PolarHBondContact O-N 3.31Å; S1746-Y1750 WeakPolarHBondContact O-CD2 3.33Å; S1746-Y1750 PolarHBondContact O-N 2.98Å; S1746-Y1750 VanDerWaalsContact O-N 3.08Å |
| 1747 | S | 45.1 | Very low | 50.6 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 42% | 0.42 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -53.4 | -50 | 172.4 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | D1743 K1749 Y1750 A1751 | D1743-S1747 WeakPolarHBondContact O-CB 3.49Å; D1743-S1747 PolarHBondContact O-N 3.14Å; S1747-K1749 VanDerWaalsContact C-N 3.25Å; S1747-K1749 PolarHBondContact O-N 3.37Å; S1747-Y1750 PolarHBondContact O-N 3.21Å; S1747-A1751 PolarHBondContact O-N 2.86Å; S1747-A1751 VanDerWaalsContact O-N 3.13Å |
| 1748 | T | 51 | Low | 51.4 | Low | 51 Ų | 51 | 96.5 Ų | 96.5 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | V1744 S1746 L1752 | V1744-T1748 WeakPolarHBondContact O-CB 3.35Å; V1744-T1748 PolarHBondContact O-N 3.43Å; V1744-T1748 VanDerWaalsContact O-N 3.09Å; V1744-T1748 PolarHBondContact O-OG1 3.08Å; S1746-T1748 PolarHBondContact O-N 2.74Å; T1748-L1752 HydrophobicContact CG2-CD1 4.08Å; T1748-L1752 WeakPolarHBondContact O-CB 3.43Å; T1748-L1752 WeakPolarHBondContact O-CD1 3.37Å; T1748-L1752 VanDerWaalsContact O-CG 3.27Å; T1748-L1752 WeakPolarHBondContact O-CG 3.41Å; T1748-L1752 PolarHBondContact O-N 2.93Å |
| 1749 | K | 60.3 | Low | 52.3 | Low | 149 Ų | 149 | 95 Ų | 95 | 65% | 0.648 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.2 | -40.3 | 179 | -175.9 | -170.9 | 173.6 | -165.4 | 0 | 112.5 | Q1745 S1746 S1747 H1753 | Q1745-K1749 WeakPolarHBondContact O-CB 3.27Å; Q1745-K1749 PolarHBondContact O-N 3.47Å; Q1745-K1749 VanDerWaalsContact O-N 3.12Å; S1746-K1749 WeakPolarHBondContact O-CB 3.08Å; S1746-K1749 PolarHBondContact O-N 3.31Å; S1747-K1749 VanDerWaalsContact C-N 3.25Å; S1747-K1749 PolarHBondContact O-N 3.37Å; K1749-H1753 WeakPolarHBondContact O-CB 3.33Å; K1749-H1753 PolarHBondContact O-N 3.19Å; K1749-H1753 VanDerWaalsContact O-N 3.12Å |
| 1750 | Y | 54.2 | Low | 53.5 | Low | 144 Ų | 144 | 93.2 Ų | 93.2 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.5 | -51.6 | 178 | -70.8 | -69.1 | 0 | 0 | 0 | 111.4 | S1746 S1747 L1752 H1753 D1754 | S1746-Y1750 WeakPolarHBondContact O-CD2 3.33Å; S1746-Y1750 PolarHBondContact O-N 2.98Å; S1746-Y1750 VanDerWaalsContact O-N 3.08Å; S1747-Y1750 PolarHBondContact O-N 3.21Å; Y1750-L1752 PolarHBondContact O-N 3.46Å; Y1750-L1752 VanDerWaalsContact O-N 3.13Å; Y1750-H1753 WeakPolarHBondContact O-CA 3.43Å; Y1750-H1753 WeakPolarHBondContact O-CB 3.31Å; Y1750-H1753 PolarHBondContact O-N 3.14Å; Y1750-D1754 VanDerWaalsContact O-CG 3.3Å; Y1750-D1754 PolarHBondContact O-N 3.45Å |
| 1751 | A | 54.2 | Low | 54.5 | Low | 30 Ų | 30 | 90 Ų | 90 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.6 | -34.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1550 S1747 T1755 | L1550-A1751 HydrophobicContact CD2-CB 4.32Å; S1747-A1751 PolarHBondContact O-N 2.86Å; S1747-A1751 VanDerWaalsContact O-N 3.13Å; A1751-T1755 WeakPolarHBondContact O-CB 3.33Å; A1751-T1755 PolarHBondContact O-N 3.19Å; A1751-T1755 PolarHBondContact O-OG1 3.36Å |
| 1752 | L | 59.3 | Low | 55.2 | Low | 62 Ų | 62 | 83.1 Ų | 83.1 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 171 | -75.3 | 173.3 | 0 | 0 | 0 | 112.8 | L1713 T1748 Y1750 T1755 F1756 | L1713-L1752 HydrophobicContact CD2-CD2 4.03Å; T1748-L1752 HydrophobicContact CG2-CD1 4.08Å; T1748-L1752 WeakPolarHBondContact O-CB 3.43Å; T1748-L1752 WeakPolarHBondContact O-CD1 3.37Å; T1748-L1752 VanDerWaalsContact O-CG 3.27Å; T1748-L1752 WeakPolarHBondContact O-CG 3.41Å; T1748-L1752 PolarHBondContact O-N 2.93Å; Y1750-L1752 PolarHBondContact O-N 3.46Å; Y1750-L1752 VanDerWaalsContact O-N 3.13Å; L1752-T1755 WeakPolarHBondContact O-CB 3.48Å; L1752-T1755 PolarHBondContact O-N 3.44Å; L1752-F1756 WeakPolarHBondContact O-CD2 3.39Å; L1752-F1756 PolarHBondContact O-N 2.88Å |
| 1753 | H | 66 | Low | 56.3 | Low | 101 Ų | 101 | 82.1 Ų | 82.1 | 47% | 0.468 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 178.3 | -173.5 | 11.8 | 0 | 0 | 0 | 111.7 | K1749 Y1750 T1755 F1756 E1757 | K1749-H1753 WeakPolarHBondContact O-CB 3.33Å; K1749-H1753 PolarHBondContact O-N 3.19Å; K1749-H1753 VanDerWaalsContact O-N 3.12Å; Y1750-H1753 WeakPolarHBondContact O-CA 3.43Å; Y1750-H1753 WeakPolarHBondContact O-CB 3.31Å; Y1750-H1753 PolarHBondContact O-N 3.14Å; H1753-T1755 VanDerWaalsContact C-N 3.32Å; H1753-T1755 PolarHBondContact O-N 2.77Å; H1753-F1756 PolarHBondContact O-N 2.78Å; H1753-F1756 VanDerWaalsContact O-N 3.08Å; H1753-E1757 PolarHBondContact O-N 3.42Å |
| 1754 | D | 62.7 | Low | 57.5 | Low | 88 Ų | 88 | 83 Ų | 83 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 180 | -51.6 | -30.1 | 0 | 0 | 0 | 110.4 | Y1750 F1756 E1757 N1758 | Y1750-D1754 VanDerWaalsContact O-CG 3.3Å; Y1750-D1754 PolarHBondContact O-N 3.45Å; D1754-F1756 VanDerWaalsContact C-N 3.33Å; D1754-F1756 PolarHBondContact O-N 3.39Å; D1754-E1757 PolarHBondContact O-N 3.28Å; D1754-N1758 WeakPolarHBondContact O-CB 3.48Å; D1754-N1758 PolarHBondContact O-N 2.94Å; D1754-N1758 PolarHBondContact O-ND2 3.47Å |
| 1755 | T | 57.6 | Low | 58.1 | Low | 38 Ų | 38 | 80.9 Ų | 80.9 | 23% | 0.233 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 171.4 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | L1709 A1751 L1752 H1753 M1759 | L1709-T1755 HydrophobicContact CD1-CG2 3.85Å; A1751-T1755 WeakPolarHBondContact O-CB 3.33Å; A1751-T1755 PolarHBondContact O-N 3.19Å; A1751-T1755 PolarHBondContact O-OG1 3.36Å; L1752-T1755 WeakPolarHBondContact O-CB 3.48Å; L1752-T1755 PolarHBondContact O-N 3.44Å; H1753-T1755 VanDerWaalsContact C-N 3.32Å; H1753-T1755 PolarHBondContact O-N 2.77Å; T1755-M1759 WeakPolarHBondContact O-CB 3.41Å; T1755-M1759 PolarHBondContact O-N 2.83Å; T1755-M1759 VanDerWaalsContact O-N 3.08Å |
| 1756 | F | 60.7 | Low | 59.2 | Low | 125 Ų | 125 | 78.2 Ų | 78.2 | 55% | 0.548 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.1 | -39 | 178.6 | -85.3 | -62.9 | 0 | 0 | 0 | 113.1 | L1752 H1753 D1754 M1759 K1760 | L1752-F1756 WeakPolarHBondContact O-CD2 3.39Å; L1752-F1756 PolarHBondContact O-N 2.88Å; H1753-F1756 PolarHBondContact O-N 2.78Å; H1753-F1756 VanDerWaalsContact O-N 3.08Å; D1754-F1756 VanDerWaalsContact C-N 3.33Å; D1754-F1756 PolarHBondContact O-N 3.39Å; F1756-M1759 HydrophobicContact CD1-CE 4.03Å; F1756-M1759 HydrophobicContact CE1-CE 4.15Å; F1756-M1759 PolarHBondContact O-N 3.41Å; F1756-K1760 VanDerWaalsContact O-CB 3.32Å; F1756-K1760 WeakPolarHBondContact O-CB 3.46Å; F1756-K1760 PolarHBondContact O-N 3.06Å |
| 1757 | E | 68.2 | Low | 60.4 | Low | 81 Ų | 81 | 81.1 Ų | 81.1 | 38% | 0.379 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 176.9 | -72.2 | -64.5 | 137.1 | 0 | 0 | 111.6 | H1753 D1754 M1759 K1760 A1761 | H1753-E1757 PolarHBondContact O-N 3.42Å; D1754-E1757 PolarHBondContact O-N 3.28Å; E1757-M1759 PolarHBondContact O-N 3.14Å; E1757-K1760 WeakPolarHBondContact O-CB 3.43Å; E1757-K1760 PolarHBondContact O-N 3.25Å; E1757-K1760 WeakPolarHBondContact OE1-CD 3.39Å; E1757-K1760 IonicContact OE1-NZ 2.85Å; E1757-K1760 PolarHBondContact OE1-NZ 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CD 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CE 3.49Å; E1757-K1760 IonicContact OE2-NZ 3.09Å; E1757-K1760 PolarHBondContact OE2-NZ 2.81Å; E1757-A1761 PolarHBondContact O-N 3.36Å |
| 1758 | N | 61.1 | Low | 61.1 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 171.2 | -75.9 | -24.8 | 0 | 0 | 0 | 112.3 | D1754 K1760 A1761 V1762 | D1754-N1758 WeakPolarHBondContact O-CB 3.48Å; D1754-N1758 PolarHBondContact O-N 2.94Å; D1754-N1758 PolarHBondContact O-ND2 3.47Å; N1758-K1760 VanDerWaalsContact C-N 3.3Å; N1758-K1760 PolarHBondContact O-N 3.17Å; N1758-A1761 PolarHBondContact O-N 3.35Å; N1758-V1762 WeakPolarHBondContact O-CG2 3.45Å; N1758-V1762 PolarHBondContact O-N 3.08Å; N1758-V1762 VanDerWaalsContact O-N 3.07Å |
| 1759 | M | 55.9 | Low | 61.3 | Low | 108 Ų | 108 | 81.2 Ų | 81.2 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.6 | -168.6 | -165.4 | -50.2 | 0 | 0 | 112.4 | T1755 F1756 E1757 N1763 | T1755-M1759 WeakPolarHBondContact O-CB 3.41Å; T1755-M1759 PolarHBondContact O-N 2.83Å; T1755-M1759 VanDerWaalsContact O-N 3.08Å; F1756-M1759 HydrophobicContact CD1-CE 4.03Å; F1756-M1759 HydrophobicContact CE1-CE 4.15Å; F1756-M1759 PolarHBondContact O-N 3.41Å; E1757-M1759 PolarHBondContact O-N 3.14Å; M1759-N1763 WeakPolarHBondContact O-CB 3.39Å; M1759-N1763 PolarHBondContact O-N 3.28Å; M1759-N1763 VanDerWaalsContact O-N 3.08Å |
| 1760 | K | 66.4 | Low | 61.2 | Low | 99 Ų | 99 | 75.4 Ų | 75.4 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 176.9 | 171.3 | -176.6 | 163.7 | -151 | 0 | 111.8 | F1756 E1757 N1758 N1763 Q1764 | F1756-K1760 VanDerWaalsContact O-CB 3.32Å; F1756-K1760 WeakPolarHBondContact O-CB 3.46Å; F1756-K1760 PolarHBondContact O-N 3.06Å; E1757-K1760 WeakPolarHBondContact O-CB 3.43Å; E1757-K1760 PolarHBondContact O-N 3.25Å; E1757-K1760 WeakPolarHBondContact OE1-CD 3.39Å; E1757-K1760 IonicContact OE1-NZ 2.85Å; E1757-K1760 PolarHBondContact OE1-NZ 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CD 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CE 3.49Å; E1757-K1760 IonicContact OE2-NZ 3.09Å; E1757-K1760 PolarHBondContact OE2-NZ 2.81Å; N1758-K1760 VanDerWaalsContact C-N 3.3Å; N1758-K1760 PolarHBondContact O-N 3.17Å; K1760-N1763 PolarHBondContact O-N 2.87Å; K1760-Q1764 WeakPolarHBondContact O-CG 3.35Å; K1760-Q1764 PolarHBondContact O-N 3.3Å |
| 1761 | A | 62.1 | Low | 61.4 | Low | 38 Ų | 38 | 75.4 Ų | 75.4 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | E1757 N1758 N1763 Q1764 Q1765 | E1757-A1761 PolarHBondContact O-N 3.36Å; N1758-A1761 PolarHBondContact O-N 3.35Å; A1761-N1763 VanDerWaalsContact C-N 3.29Å; A1761-N1763 PolarHBondContact O-N 3.22Å; A1761-Q1764 PolarHBondContact O-N 3.01Å; A1761-Q1764 VanDerWaalsContact O-N 3.12Å; A1761-Q1765 PolarHBondContact O-N 3.41Å |
| 1762 | V | 60.3 | Low | 61.1 | Low | 26 Ų | 26 | 77.8 Ų | 77.8 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | N1758 Q1765 L1766 I1813 | N1758-V1762 WeakPolarHBondContact O-CG2 3.45Å; N1758-V1762 PolarHBondContact O-N 3.08Å; N1758-V1762 VanDerWaalsContact O-N 3.07Å; V1762-Q1765 PolarHBondContact O-N 3.11Å; V1762-L1766 HydrophobicContact CG1-CD1 4.1Å; V1762-L1766 WeakPolarHBondContact O-CG 3.41Å; V1762-L1766 PolarHBondContact O-N 3.49Å; V1762-I1813 HydrophobicContact CG2-CD1 4.11Å |
| 1763 | N | 63.7 | Low | 60.5 | Low | 89 Ų | 89 | 77.8 Ų | 77.8 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 175.5 | -169.6 | -18.7 | 0 | 0 | 0 | 112.1 | M1759 K1760 A1761 L1766 Q1767 | M1759-N1763 WeakPolarHBondContact O-CB 3.39Å; M1759-N1763 PolarHBondContact O-N 3.28Å; M1759-N1763 VanDerWaalsContact O-N 3.08Å; K1760-N1763 PolarHBondContact O-N 2.87Å; A1761-N1763 VanDerWaalsContact C-N 3.29Å; A1761-N1763 PolarHBondContact O-N 3.22Å; N1763-L1766 PolarHBondContact O-N 3.37Å; N1763-Q1767 WeakPolarHBondContact O-CG 3.37Å; N1763-Q1767 PolarHBondContact O-N 2.98Å; N1763-Q1767 PolarHBondContact OD1-NE2 3.41Å |
| 1764 | Q | 68.6 | Low | 59.8 | Low | 116 Ų | 116 | 80.2 Ų | 80.2 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.2 | -71.3 | 178.1 | 5.4 | 0 | 0 | 112.2 | K1760 A1761 L1766 Q1767 V1768 | K1760-Q1764 WeakPolarHBondContact O-CG 3.35Å; K1760-Q1764 PolarHBondContact O-N 3.3Å; A1761-Q1764 PolarHBondContact O-N 3.01Å; A1761-Q1764 VanDerWaalsContact O-N 3.12Å; Q1764-L1766 PolarHBondContact O-N 3.06Å; Q1764-Q1767 WeakPolarHBondContact O-CB 3.48Å; Q1764-Q1767 PolarHBondContact O-N 3.08Å; Q1764-Q1767 VanDerWaalsContact O-N 3.14Å; Q1764-V1768 PolarHBondContact O-N 2.87Å |
| 1765 | Q | 57.5 | Low | 58.8 | Low | 39 Ų | 39 | 79.4 Ų | 79.4 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.5 | -70.1 | 177.8 | -7.1 | 0 | 0 | 111.7 | A1761 V1762 Q1767 V1768 V1769 F1810 I1811 | A1761-Q1765 PolarHBondContact O-N 3.41Å; V1762-Q1765 PolarHBondContact O-N 3.11Å; Q1765-Q1767 VanDerWaalsContact C-N 3.29Å; Q1765-Q1767 PolarHBondContact O-N 3.48Å; Q1765-V1768 PolarHBondContact O-N 2.9Å; Q1765-V1768 VanDerWaalsContact O-N 3.15Å; Q1765-V1769 WeakPolarHBondContact O-CG2 3.24Å; Q1765-V1769 PolarHBondContact O-N 3.13Å; Q1765-F1810 HydrophobicContact CB-CE1 4.26Å; Q1765-F1810 HydrophobicContact CG-CD1 4.15Å; Q1765-F1810 HydrophobicContact CG-CE1 4.22Å; Q1765-I1811 PolarHBondContact NE2-O 2.98Å |
| 1766 | L | 67.1 | Low | 58 | Low | 83 Ų | 83 | 85.1 Ų | 85.1 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 175 | -72 | 169.8 | 0 | 0 | 0 | 113 | V1762 N1763 Q1764 G1770 | V1762-L1766 HydrophobicContact CG1-CD1 4.1Å; V1762-L1766 WeakPolarHBondContact O-CG 3.41Å; V1762-L1766 PolarHBondContact O-N 3.49Å; N1763-L1766 PolarHBondContact O-N 3.37Å; Q1764-L1766 PolarHBondContact O-N 3.06Å; L1766-G1770 PolarHBondContact O-N 3.23Å |
| 1767 | Q | 66.1 | Low | 56.9 | Low | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.1 | -34.8 | 173 | -72.1 | 175 | 44.6 | 0 | 0 | 112.8 | N1763 Q1764 Q1765 G1770 K1771 | N1763-Q1767 WeakPolarHBondContact O-CG 3.37Å; N1763-Q1767 PolarHBondContact O-N 2.98Å; N1763-Q1767 PolarHBondContact OD1-NE2 3.41Å; Q1764-Q1767 WeakPolarHBondContact O-CB 3.48Å; Q1764-Q1767 PolarHBondContact O-N 3.08Å; Q1764-Q1767 VanDerWaalsContact O-N 3.14Å; Q1765-Q1767 VanDerWaalsContact C-N 3.29Å; Q1765-Q1767 PolarHBondContact O-N 3.48Å; Q1767-G1770 PolarHBondContact O-N 2.83Å; Q1767-K1771 WeakPolarHBondContact O-CG 3.32Å; Q1767-K1771 PolarHBondContact O-N 3.11Å |
| 1768 | V | 59.4 | Low | 55.5 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.5 | -47.9 | 173.5 | 174 | 0 | 0 | 0 | 0 | 110.4 | Q1764 Q1765 G1770 K1771 L1772 F1810 | Q1764-V1768 PolarHBondContact O-N 2.87Å; Q1765-V1768 PolarHBondContact O-N 2.9Å; Q1765-V1768 VanDerWaalsContact O-N 3.15Å; V1768-G1770 VanDerWaalsContact C-N 3.27Å; V1768-G1770 PolarHBondContact O-N 2.94Å; V1768-K1771 WeakPolarHBondContact O-CB 3.42Å; V1768-K1771 PolarHBondContact O-N 3.47Å; V1768-K1771 VanDerWaalsContact O-N 3.07Å; V1768-L1772 HydrophobicContact CG1-CD1 3.99Å; V1768-L1772 PolarHBondContact O-N 3.4Å; V1768-F1810 HydrophobicContact CB-CZ 4.4Å; V1768-F1810 HydrophobicContact CG1-CE2 4.3Å; V1768-F1810 HydrophobicContact CG1-CZ 3.85Å |
| 1769 | V | 55.8 | Low | 54.5 | Low | 48 Ų | 48 | 88.1 Ų | 88.1 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 173.1 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | Q1765 K1771 L1772 L1773 | Q1765-V1769 WeakPolarHBondContact O-CG2 3.24Å; Q1765-V1769 PolarHBondContact O-N 3.13Å; V1769-K1771 VanDerWaalsContact C-N 3.35Å; V1769-K1771 PolarHBondContact O-N 3.32Å; V1769-L1772 PolarHBondContact O-N 2.73Å; V1769-L1773 HydrophobicContact CG1-CD1 3.71Å; V1769-L1773 HydrophobicContact CG1-CG 4.29Å; V1769-L1773 WeakPolarHBondContact O-CB 3.4Å; V1769-L1773 WeakPolarHBondContact O-CG 3.48Å; V1769-L1773 PolarHBondContact O-N 3.44Å |
| 1770 | G | 58 | Low | 53.8 | Low | 27 Ų | 27 | 88.9 Ų | 88.9 | 28% | 0.278 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65 | -31.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1766 Q1767 V1768 F1774 | L1766-G1770 PolarHBondContact O-N 3.23Å; Q1767-G1770 PolarHBondContact O-N 2.83Å; V1768-G1770 VanDerWaalsContact C-N 3.27Å; V1768-G1770 PolarHBondContact O-N 2.94Å; G1770-F1774 WeakPolarHBondContact O-CB 3.42Å; G1770-F1774 WeakPolarHBondContact O-CD2 3.49Å; G1770-F1774 PolarHBondContact O-N 3.25Å |
| 1771 | K | 57.9 | Low | 52.7 | Low | 145 Ų | 145 | 88.1 Ų | 88.1 | 63% | 0.63 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.5 | -47.3 | 171.9 | -73.7 | 171.3 | -179.4 | -179.7 | 0 | 111.1 | Q1767 V1768 V1769 L1773 F1774 S1775 | Q1767-K1771 WeakPolarHBondContact O-CG 3.32Å; Q1767-K1771 PolarHBondContact O-N 3.11Å; V1768-K1771 WeakPolarHBondContact O-CB 3.42Å; V1768-K1771 PolarHBondContact O-N 3.47Å; V1768-K1771 VanDerWaalsContact O-N 3.07Å; V1769-K1771 VanDerWaalsContact C-N 3.35Å; V1769-K1771 PolarHBondContact O-N 3.32Å; K1771-L1773 PolarHBondContact O-N 3.31Å; K1771-F1774 PolarHBondContact O-N 3.22Å; K1771-S1775 WeakPolarHBondContact O-CB 3.19Å; K1771-S1775 PolarHBondContact O-N 2.84Å |
| 1772 | L | 49.2 | Very low | 51.6 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 41% | 0.414 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 179.2 | -73.5 | 162.7 | 0 | 0 | 0 | 112.1 | V1768 V1769 F1803 L1807 | V1768-L1772 HydrophobicContact CG1-CD1 3.99Å; V1768-L1772 PolarHBondContact O-N 3.4Å; V1769-L1772 PolarHBondContact O-N 2.73Å; L1772-F1803 HydrophobicContact CD2-CE2 3.66Å; L1772-F1803 HydrophobicContact CD2-CZ 4.13Å; L1772-L1807 HydrophobicContact CD1-CD2 4.03Å |
| 1773 | L | 45.9 | Very low | 50.4 | Low | 63 Ų | 63 | 92.7 Ų | 92.7 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -82.1 | -21.7 | -177 | -66.2 | 176.3 | 0 | 0 | 0 | 114.8 | M1691 V1769 K1771 | M1691-L1773 HydrophobicContact CE-CD2 4.49Å; M1691-L1773 HydrophobicContact SD-CD2 4.48Å; V1769-L1773 HydrophobicContact CG1-CD1 3.71Å; V1769-L1773 HydrophobicContact CG1-CG 4.29Å; V1769-L1773 WeakPolarHBondContact O-CB 3.4Å; V1769-L1773 WeakPolarHBondContact O-CG 3.48Å; V1769-L1773 PolarHBondContact O-N 3.44Å; K1771-L1773 PolarHBondContact O-N 3.31Å |
| 1774 | F | 51 | Low | 49.3 | Very low | 151 Ų | 151 | 93.2 Ų | 93.2 | 66% | 0.662 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -137.1 | 4.8 | -167.8 | -50 | -63.9 | 0 | 0 | 0 | 116.4 | G1770 K1771 K1776 | G1770-F1774 WeakPolarHBondContact O-CB 3.42Å; G1770-F1774 WeakPolarHBondContact O-CD2 3.49Å; G1770-F1774 PolarHBondContact O-N 3.25Å; K1771-F1774 PolarHBondContact O-N 3.22Å; F1774-K1776 PolarHBondContact O-N 3.06Å |
| 1775 | S | 42.7 | Very low | 48.1 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | | | trans | -65.5 | 122.4 | 176.2 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | K1771 | K1771-S1775 WeakPolarHBondContact O-CB 3.19Å; K1771-S1775 PolarHBondContact O-N 2.84Å |
| 1776 | K | 41.6 | Very low | 47.3 | Very low | 159 Ų | 159 | 94.4 Ų | 94.4 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | | | trans | -121.9 | 5.9 | -168.1 | -154.7 | 158.9 | -170.1 | 142.3 | 0 | 114.5 | F1774 | F1774-K1776 PolarHBondContact O-N 3.06Š|
| 1777 | N | 37.6 | Very low | 46.1 | Very low | 138 Ų | 138 | 96.3 Ų | 96.3 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | | | trans | -131.5 | 31.9 | -165.9 | -69.7 | 17.1 | 0 | 0 | 0 | 113 | | |
| 1778 | N | 38.5 | Very low | 45.2 | Very low | 80 Ų | 80 | 93.2 Ų | 93.2 | 43% | 0.428 | 49% | 0.485 | S | S | . | . | | | trans | -104 | 74.3 | 177.9 | -74.6 | -14.6 | 0 | 0 | 0 | 110.7 | N1780 I1781 T1782 | N1778-N1780 PolarHBondContact O-N 2.92Å; N1778-I1781 HydrophobicContact CB-CB 3.81Å; N1778-I1781 HydrophobicContact CB-CD1 4.04Å; N1778-I1781 HydrophobicContact CB-CG1 3.85Å; N1778-I1781 WeakPolarHBondContact ND2-CD1 3.34Å; N1778-I1781 PolarHBondContact O-N 2.98Å; N1778-T1782 PolarHBondContact O-N 3.12Å; N1778-T1782 PolarHBondContact O-OG1 3.44Å; N1778-T1782 VanDerWaalsContact O-OG1 3.05Å |
| 1779 | D | 38.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 96.1 Ų | 96.1 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -24.1 | 174.8 | -62 | -16.6 | 0 | 0 | 0 | 111.6 | T1782 N1783 | D1779-T1782 VanDerWaalsContact CA-OG1 3.3Å; D1779-T1782 WeakPolarHBondContact CA-OG1 3.39Å; D1779-T1782 PolarHBondContact O-OG1 3.29Å; D1779-N1783 PolarHBondContact O-N 2.73Å; D1779-N1783 PolarHBondContact O-ND2 3.3Å |
| 1780 | N | 42.2 | Very low | 43.7 | Very low | 125 Ų | 125 | 100.8 Ų | 100.8 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.6 | -44.6 | 169.4 | -72.9 | 9.1 | 0 | 0 | 0 | 112.1 | N1778 T1782 N1783 E1784 | N1778-N1780 PolarHBondContact O-N 2.92Å; N1780-T1782 VanDerWaalsContact C-N 3.32Å; N1780-T1782 PolarHBondContact O-N 2.84Å; N1780-N1783 CarbonylContact O-C 3.29Å; N1780-N1783 PolarHBondContact O-N 3.23Å; N1780-N1783 VanDerWaalsContact O-N 3.16Å; N1780-E1784 PolarHBondContact O-N 3.22Å |
| 1781 | I | 42.6 | Very low | 43.1 | Very low | 83 Ų | 83 | 100.8 Ų | 100.8 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -31.2 | 178.4 | -58.6 | -174.9 | 0 | 0 | 0 | 110.9 | N1778 E1784 L1785 | N1778-I1781 HydrophobicContact CB-CB 3.81Å; N1778-I1781 HydrophobicContact CB-CD1 4.04Å; N1778-I1781 HydrophobicContact CB-CG1 3.85Å; N1778-I1781 WeakPolarHBondContact ND2-CD1 3.34Å; N1778-I1781 PolarHBondContact O-N 2.98Å; I1781-E1784 CarbonylContact O-C 3.5Å; I1781-E1784 PolarHBondContact O-N 3.27Å; I1781-L1785 HydrophobicContact CG2-CD1 3.88Å; I1781-L1785 HydrophobicContact CG2-CG 4.16Å; I1781-L1785 VanDerWaalsContact O-CB 3.31Å; I1781-L1785 WeakPolarHBondContact O-CB 3.41Å; I1781-L1785 VanDerWaalsContact O-CG 3.27Å; I1781-L1785 WeakPolarHBondContact O-CG 3.41Å; I1781-L1785 PolarHBondContact O-N 3.19Å |
| 1782 | T | 38.7 | Very low | 43 | Very low | 62 Ų | 62 | 98 Ų | 98 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -33 | 171 | 33.9 | 0 | 0 | 0 | 0 | 112.8 | N1778 D1779 N1780 E1784 L1785 N1786 | N1778-T1782 PolarHBondContact O-N 3.12Å; N1778-T1782 PolarHBondContact O-OG1 3.44Å; N1778-T1782 VanDerWaalsContact O-OG1 3.05Å; D1779-T1782 VanDerWaalsContact CA-OG1 3.3Å; D1779-T1782 WeakPolarHBondContact CA-OG1 3.39Å; D1779-T1782 PolarHBondContact O-OG1 3.29Å; N1780-T1782 VanDerWaalsContact C-N 3.32Å; N1780-T1782 PolarHBondContact O-N 2.84Å; T1782-E1784 VanDerWaalsContact C-N 3.34Å; T1782-L1785 PolarHBondContact O-N 3Å; T1782-N1786 WeakPolarHBondContact O-CB 3.21Å; T1782-N1786 PolarHBondContact O-N 3.01Å; T1782-N1786 PolarHBondContact O-ND2 3.12Å; T1782-N1786 PolarHBondContact O-OD1 3.43Å |
| 1783 | N | 36.5 | Very low | 42.6 | Very low | 98 Ų | 98 | 98.5 Ų | 98.5 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.4 | -29 | 168 | -77.3 | -55.3 | 0 | 0 | 0 | 113 | D1779 N1780 Q1787 | D1779-N1783 PolarHBondContact O-N 2.73Å; D1779-N1783 PolarHBondContact O-ND2 3.3Å; N1780-N1783 CarbonylContact O-C 3.29Å; N1780-N1783 PolarHBondContact O-N 3.23Å; N1780-N1783 VanDerWaalsContact O-N 3.16Å; N1783-Q1787 WeakPolarHBondContact O-CG 3.4Å; N1783-Q1787 PolarHBondContact O-N 3.18Å; N1783-Q1787 PolarHBondContact O-NE2 3.42Å |
| 1784 | E | 40.5 | Very low | 42.3 | Very low | 100 Ų | 100 | 99.8 Ų | 99.8 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.1 | -20.7 | 173.6 | -72.3 | 177.5 | -156.5 | 0 | 0 | 114.2 | N1780 I1781 T1782 I1788 K1799 | N1780-E1784 PolarHBondContact O-N 3.22Å; I1781-E1784 CarbonylContact O-C 3.5Å; I1781-E1784 PolarHBondContact O-N 3.27Å; T1782-E1784 VanDerWaalsContact C-N 3.34Å; E1784-I1788 WeakPolarHBondContact O-CG1 3.25Å; E1784-I1788 PolarHBondContact O-N 3.38Å; E1784-K1799 PolarHBondContact O-NZ 3.36Å |
| 1785 | L | 41.9 | Very low | 42.5 | Very low | 84 Ų | 84 | 97.5 Ų | 97.5 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.3 | -41.1 | 170.4 | -78.4 | 162.1 | 0 | 0 | 0 | 111.6 | I1781 T1782 Q1787 I1788 D1789 | I1781-L1785 HydrophobicContact CG2-CD1 3.88Å; I1781-L1785 HydrophobicContact CG2-CG 4.16Å; I1781-L1785 VanDerWaalsContact O-CB 3.31Å; I1781-L1785 WeakPolarHBondContact O-CB 3.41Å; I1781-L1785 VanDerWaalsContact O-CG 3.27Å; I1781-L1785 WeakPolarHBondContact O-CG 3.41Å; I1781-L1785 PolarHBondContact O-N 3.19Å; T1782-L1785 PolarHBondContact O-N 3Å; L1785-Q1787 PolarHBondContact O-N 2.92Å; L1785-Q1787 VanDerWaalsContact O-N 3.17Å; L1785-I1788 HydrophobicContact CD2-CD1 3.82Å; L1785-I1788 HydrophobicContact CG-CD1 4.49Å; L1785-I1788 WeakPolarHBondContact O-CA 3.34Å; L1785-I1788 WeakPolarHBondContact O-CB 3.39Å; L1785-I1788 PolarHBondContact O-N 2.76Å; L1785-D1789 PolarHBondContact O-N 3.46Å |
| 1786 | N | 41.6 | Very low | 42.4 | Very low | 96 Ų | 96 | 99.9 Ų | 99.9 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.9 | 170.5 | -66.2 | -13.3 | 0 | 0 | 0 | 112.1 | T1782 N1790 | T1782-N1786 WeakPolarHBondContact O-CB 3.21Å; T1782-N1786 PolarHBondContact O-N 3.01Å; T1782-N1786 PolarHBondContact O-ND2 3.12Å; T1782-N1786 PolarHBondContact O-OD1 3.43Å; N1786-N1790 PolarHBondContact O-ND2 3.45Å |
| 1787 | Q | 42.7 | Very low | 43 | Very low | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.4 | 165.7 | -76.5 | 172 | 96.7 | 0 | 0 | 113.3 | N1783 L1785 N1790 A1791 | N1783-Q1787 WeakPolarHBondContact O-CG 3.4Å; N1783-Q1787 PolarHBondContact O-N 3.18Å; N1783-Q1787 PolarHBondContact O-NE2 3.42Å; L1785-Q1787 PolarHBondContact O-N 2.92Å; L1785-Q1787 VanDerWaalsContact O-N 3.17Å; Q1787-N1790 CarbonylContact O-C 3.46Å; Q1787-N1790 PolarHBondContact O-N 3.06Å; Q1787-A1791 WeakPolarHBondContact O-CB 3.27Å; Q1787-A1791 PolarHBondContact O-N 2.84Å |
| 1788 | I | 45.7 | Very low | 44.2 | Very low | 43 Ų | 43 | 97.3 Ų | 97.3 | 22% | 0.221 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -67.9 | -37 | 170.3 | -76.8 | 160.7 | 0 | 0 | 0 | 111.1 | E1784 L1785 N1790 A1791 Y1796 K1799 | E1784-I1788 WeakPolarHBondContact O-CG1 3.25Å; E1784-I1788 PolarHBondContact O-N 3.38Å; L1785-I1788 HydrophobicContact CD2-CD1 3.82Å; L1785-I1788 HydrophobicContact CG-CD1 4.49Å; L1785-I1788 WeakPolarHBondContact O-CA 3.34Å; L1785-I1788 WeakPolarHBondContact O-CB 3.39Å; L1785-I1788 PolarHBondContact O-N 2.76Å; I1788-N1790 PolarHBondContact O-N 3.05Å; I1788-A1791 WeakPolarHBondContact O-CB 3.37Å; I1788-A1791 PolarHBondContact O-N 2.92Å; I1788-Y1796 HydrophobicContact CG2-CD2 3.81Å; I1788-Y1796 HydrophobicContact CG2-CE2 4.27Å; I1788-K1799 HydrophobicContact CD1-CD 3.68Å; I1788-K1799 HydrophobicContact CG1-CD 3.83Å |
| 1789 | D | 43 | Very low | 45.1 | Very low | 126 Ų | 126 | 96.6 Ų | 96.6 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -58.7 | -15.5 | 172.8 | -81.9 | 6.9 | 0 | 0 | 0 | 113.9 | L1785 | L1785-D1789 PolarHBondContact O-N 3.46Š|
| 1790 | N | 41.9 | Very low | 45.5 | Very low | 145 Ų | 145 | 94.4 Ų | 94.4 | 78% | 0.775 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -121.9 | 6.8 | 175.7 | -65.2 | -86.1 | 0 | 0 | 0 | 113 | N1786 Q1787 I1788 | N1786-N1790 PolarHBondContact O-ND2 3.45Å; Q1787-N1790 CarbonylContact O-C 3.46Å; Q1787-N1790 PolarHBondContact O-N 3.06Å; I1788-N1790 PolarHBondContact O-N 3.05Å |
| 1791 | A | 44.8 | Very low | 46.5 | Very low | 28 Ų | 28 | 93.7 Ų | 93.7 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | | | trans | -75.4 | 146.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1787 I1788 E1795 | Q1787-A1791 WeakPolarHBondContact O-CB 3.27Å; Q1787-A1791 PolarHBondContact O-N 2.84Å; I1788-A1791 WeakPolarHBondContact O-CB 3.37Å; I1788-A1791 PolarHBondContact O-N 2.92Å; A1791-E1795 HydrophobicContact CB-CB 3.94Å |
| 1792 | T | 55.2 | Low | 47.3 | Very low | 85 Ų | 85 | 95.4 Ų | 95.4 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | | | trans | -68.3 | 154.2 | 165.5 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | C1794 E1795 Y1796 | T1792-C1794 PolarHBondContact O-N 3.09Å; T1792-E1795 PolarHBondContact N-OE2 3.34Å; T1792-E1795 WeakPolarHBondContact O-CB 3.17Å; T1792-E1795 PolarHBondContact O-N 2.85Å; T1792-E1795 PolarHBondContact OG1-OE2 3.49Å; T1792-Y1796 PolarHBondContact O-N 3.25Å |
| 1793 | S | 40.5 | Very low | 47.7 | Very low | 90 Ų | 90 | 97 Ų | 97 | 63% | 0.629 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.9 | -29.9 | -177.1 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | L1797 | S1793-L1797 WeakPolarHBondContact O-CG 2.94Å; S1793-L1797 PolarHBondContact O-N 2.71Å; S1793-L1797 VanDerWaalsContact O-N 3.12Å |
| 1794 | C | 41.3 | Very low | 48.2 | Very low | 90 Ų | 90 | 95.6 Ų | 95.6 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 173.7 | -58 | 0 | 0 | 0 | 0 | 113.1 | T1792 L1797 H1798 | T1792-C1794 PolarHBondContact O-N 3.09Å; C1794-L1797 PolarHBondContact O-N 3.43Å; C1794-H1798 WeakPolarHBondContact O-CB 3.39Å; C1794-H1798 PolarHBondContact O-N 2.89Å |
| 1795 | E | 53.3 | Low | 49 | Very low | 104 Ų | 104 | 96.2 Ų | 96.2 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.1 | -32.5 | 178.2 | -70.3 | 168 | 117.8 | 0 | 0 | 111.9 | A1791 T1792 K1799 | A1791-E1795 HydrophobicContact CB-CB 3.94Å; T1792-E1795 PolarHBondContact N-OE2 3.34Å; T1792-E1795 WeakPolarHBondContact O-CB 3.17Å; T1792-E1795 PolarHBondContact O-N 2.85Å; T1792-E1795 PolarHBondContact OG1-OE2 3.49Å; E1795-K1799 PolarHBondContact O-N 3.02Å |
| 1796 | Y | 42.5 | Very low | 49.3 | Very low | 121 Ų | 121 | 98.4 Ų | 98.4 | 48% | 0.475 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -52 | 170.7 | 180 | -103.7 | 0 | 0 | 0 | 111.1 | I1788 T1792 H1798 K1799 L1800 | I1788-Y1796 HydrophobicContact CG2-CD2 3.81Å; I1788-Y1796 HydrophobicContact CG2-CE2 4.27Å; T1792-Y1796 PolarHBondContact O-N 3.25Å; Y1796-H1798 PolarHBondContact O-N 2.82Å; Y1796-K1799 PolarHBondContact O-N 3.09Å; Y1796-L1800 HydrophobicContact CD1-CD1 4.34Å; Y1796-L1800 HydrophobicContact CE1-CD1 3.58Å; Y1796-L1800 PolarHBondContact O-N 2.98Å; Y1796-L1800 VanDerWaalsContact O-N 3.08Å |
| 1797 | L | 53.8 | Low | 49.4 | Very low | 110 Ų | 110 | 95.9 Ų | 95.9 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58 | -45 | 178.3 | -71.8 | 168.3 | 0 | 0 | 0 | 112 | S1793 C1794 K1799 L1800 E1801 | S1793-L1797 WeakPolarHBondContact O-CG 2.94Å; S1793-L1797 PolarHBondContact O-N 2.71Å; S1793-L1797 VanDerWaalsContact O-N 3.12Å; C1794-L1797 PolarHBondContact O-N 3.43Å; L1797-K1799 VanDerWaalsContact C-N 3.32Å; L1797-K1799 PolarHBondContact O-N 2.63Å; L1797-L1800 PolarHBondContact O-N 3.29Å; L1797-L1800 VanDerWaalsContact O-N 3.14Å; L1797-E1801 PolarHBondContact O-N 2.89Å |
| 1798 | H | 62.3 | Low | 49.4 | Very low | 132 Ų | 132 | 98.6 Ų | 98.6 | 61% | 0.611 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -31.9 | -178.2 | -163.3 | -45.1 | 0 | 0 | 0 | 113.2 | C1794 Y1796 Q1802 | C1794-H1798 WeakPolarHBondContact O-CB 3.39Å; C1794-H1798 PolarHBondContact O-N 2.89Å; Y1796-H1798 PolarHBondContact O-N 2.82Å; H1798-Q1802 PolarHBondContact O-N 3.17Å |
| 1799 | K | 56.9 | Low | 49.4 | Very low | 66 Ų | 66 | 106.8 Ų | 106.8 | 29% | 0.287 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -75.1 | -34.6 | 172.7 | -74.3 | -178.7 | 176.9 | 173 | 0 | 112.4 | E1784 I1788 E1795 Y1796 L1797 Q1802 F1803 | E1784-K1799 PolarHBondContact O-NZ 3.36Å; I1788-K1799 HydrophobicContact CD1-CD 3.68Å; I1788-K1799 HydrophobicContact CG1-CD 3.83Å; E1795-K1799 PolarHBondContact O-N 3.02Å; Y1796-K1799 PolarHBondContact O-N 3.09Å; L1797-K1799 VanDerWaalsContact C-N 3.32Å; L1797-K1799 PolarHBondContact O-N 2.63Å; K1799-Q1802 PolarHBondContact O-N 3.38Å; K1799-F1803 PolarHBondContact O-N 3.02Å; K1799-F1803 VanDerWaalsContact O-N 3.08Å |
| 1800 | L | 48.4 | Very low | 49 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 176.8 | -141.1 | 159.2 | 0 | 0 | 0 | 111.1 | Y1796 L1797 F1803 N1804 | Y1796-L1800 HydrophobicContact CD1-CD1 4.34Å; Y1796-L1800 HydrophobicContact CE1-CD1 3.58Å; Y1796-L1800 PolarHBondContact O-N 2.98Å; Y1796-L1800 VanDerWaalsContact O-N 3.08Å; L1797-L1800 PolarHBondContact O-N 3.29Å; L1797-L1800 VanDerWaalsContact O-N 3.14Å; L1800-F1803 PolarHBondContact O-N 3.47Å; L1800-N1804 PolarHBondContact O-N 3Å; L1800-N1804 PolarHBondContact O-ND2 3.25Å |
| 1801 | E | 62.2 | Low | 49 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 171 | -169.2 | -178.4 | 164.8 | 0 | 0 | 112 | L1797 F1803 N1804 Q1805 | L1797-E1801 PolarHBondContact O-N 2.89Å; E1801-F1803 VanDerWaalsContact C-N 3.3Å; E1801-F1803 PolarHBondContact O-N 2.92Å; E1801-N1804 WeakPolarHBondContact O-CB 3.48Å; E1801-N1804 PolarHBondContact O-N 2.96Å; E1801-N1804 VanDerWaalsContact O-N 3.13Å; E1801-Q1805 WeakPolarHBondContact O-CG 3.13Å; E1801-Q1805 PolarHBondContact O-N 3.42Å; E1801-Q1805 PolarHBondContact OE1-NE2 2.87Å |
| 1802 | Q | 59.2 | Low | 48.5 | Very low | 119 Ų | 119 | 107.2 Ų | 107.2 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.6 | -40.8 | 176.2 | -173.7 | 180 | -0 | 0 | 0 | 112.3 | H1798 K1799 Q1805 E1806 | H1798-Q1802 PolarHBondContact O-N 3.17Å; K1799-Q1802 PolarHBondContact O-N 3.38Å; Q1802-Q1805 PolarHBondContact O-N 3.1Å; Q1802-E1806 PolarHBondContact O-N 3.23Å |
| 1803 | F | 47.6 | Very low | 47.5 | Very low | 96 Ų | 96 | 107.6 Ų | 107.6 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.6 | -177.9 | -107.4 | 0 | 0 | 0 | 112.2 | L1772 K1799 L1800 E1801 Q1805 E1806 L1807 | L1772-F1803 HydrophobicContact CD2-CE2 3.66Å; L1772-F1803 HydrophobicContact CD2-CZ 4.13Å; K1799-F1803 PolarHBondContact O-N 3.02Å; K1799-F1803 VanDerWaalsContact O-N 3.08Å; L1800-F1803 PolarHBondContact O-N 3.47Å; E1801-F1803 VanDerWaalsContact C-N 3.3Å; E1801-F1803 PolarHBondContact O-N 2.92Å; F1803-Q1805 PolarHBondContact O-N 3.33Å; F1803-E1806 PolarHBondContact O-N 3.01Å; F1803-L1807 HydrophobicContact CD1-CD1 3.93Å; F1803-L1807 HydrophobicContact CE1-CD1 3.55Å; F1803-L1807 HydrophobicContact CE1-CG 4.32Å; F1803-L1807 HydrophobicContact CZ-CD1 4.11Å; F1803-L1807 PolarHBondContact O-N 3.17Å |
| 1804 | N | 46.2 | Very low | 47.5 | Very low | 68 Ų | 68 | 111.3 Ų | 111.3 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.7 | -79.3 | -34.7 | 0 | 0 | 0 | 112.1 | L1800 E1801 E1806 L1807 Y1808 | L1800-N1804 PolarHBondContact O-N 3Å; L1800-N1804 PolarHBondContact O-ND2 3.25Å; E1801-N1804 WeakPolarHBondContact O-CB 3.48Å; E1801-N1804 PolarHBondContact O-N 2.96Å; E1801-N1804 VanDerWaalsContact O-N 3.13Å; N1804-E1806 VanDerWaalsContact C-N 3.3Å; N1804-E1806 PolarHBondContact O-N 3.23Å; N1804-L1807 CarbonylContact O-C 3.49Å; N1804-L1807 WeakPolarHBondContact O-CA 3.47Å; N1804-L1807 WeakPolarHBondContact O-CB 3.17Å; N1804-L1807 PolarHBondContact O-N 2.8Å; N1804-Y1808 HydrophobicContact CB-CE2 4.33Å; N1804-Y1808 WeakPolarHBondContact O-CD2 3.14Å; N1804-Y1808 PolarHBondContact O-N 3.31Å |
| 1805 | Q | 58.2 | Low | 47 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 175.4 | -69.1 | 178.6 | 18.4 | 0 | 0 | 112.6 | E1801 Q1802 F1803 Y1808 | E1801-Q1805 WeakPolarHBondContact O-CG 3.13Å; E1801-Q1805 PolarHBondContact O-N 3.42Å; E1801-Q1805 PolarHBondContact OE1-NE2 2.87Å; Q1802-Q1805 PolarHBondContact O-N 3.1Å; F1803-Q1805 PolarHBondContact O-N 3.33Å; Q1805-Y1808 PolarHBondContact O-N 3.04Å |
| 1806 | E | 48.7 | Very low | 46.1 | Very low | 130 Ų | 130 | 111 Ų | 111 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -39 | 169.3 | -68.4 | -155.7 | 130.7 | 0 | 0 | 112.4 | Q1802 F1803 N1804 Y1808 R1809 | Q1802-E1806 PolarHBondContact O-N 3.23Å; F1803-E1806 PolarHBondContact O-N 3.01Å; N1804-E1806 VanDerWaalsContact C-N 3.3Å; N1804-E1806 PolarHBondContact O-N 3.23Å; E1806-Y1808 VanDerWaalsContact C-N 3.25Å; E1806-Y1808 PolarHBondContact O-N 3.12Å; E1806-R1809 PolarHBondContact O-N 3.19Å |
| 1807 | L | 42.5 | Very low | 45.6 | Very low | 42 Ų | 42 | 112.4 Ų | 112.4 | 22% | 0.22 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -70.4 | -14.3 | 175.7 | -69 | 178.5 | 0 | 0 | 0 | 114.7 | R1534 L1772 F1803 N1804 F1810 | R1534-L1807 PolarHBondContact NH1-O 3.08Å; R1534-L1807 PolarHBondContact NH2-O 3.19Å; L1772-L1807 HydrophobicContact CD1-CD2 4.03Å; F1803-L1807 HydrophobicContact CD1-CD1 3.93Å; F1803-L1807 HydrophobicContact CE1-CD1 3.55Å; F1803-L1807 HydrophobicContact CE1-CG 4.32Å; F1803-L1807 HydrophobicContact CZ-CD1 4.11Å; F1803-L1807 PolarHBondContact O-N 3.17Å; N1804-L1807 CarbonylContact O-C 3.49Å; N1804-L1807 WeakPolarHBondContact O-CA 3.47Å; N1804-L1807 WeakPolarHBondContact O-CB 3.17Å; N1804-L1807 PolarHBondContact O-N 2.8Å; L1807-F1810 HydrophobicContact CD2-CE2 4.43Å; L1807-F1810 WeakPolarHBondContact O-CD2 3.38Å |
| 1808 | Y | 42.8 | Very low | 44.8 | Very low | 180 Ų | 180 | 113.3 Ų | 113.3 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -10.2 | 172.1 | -78.7 | -64.4 | 0 | 0 | 0 | 114 | N1804 Q1805 E1806 F1810 | N1804-Y1808 HydrophobicContact CB-CE2 4.33Å; N1804-Y1808 WeakPolarHBondContact O-CD2 3.14Å; N1804-Y1808 PolarHBondContact O-N 3.31Å; Q1805-Y1808 PolarHBondContact O-N 3.04Å; E1806-Y1808 VanDerWaalsContact C-N 3.25Å; E1806-Y1808 PolarHBondContact O-N 3.12Å; Y1808-F1810 PolarHBondContact O-N 2.8Å |
| 1809 | R | 45.5 | Very low | 43.4 | Very low | 216 Ų | 216 | 115.2 Ų | 115.2 | 82% | 0.815 | 57% | 0.57 | S | S | * | * | | | trans | -74.4 | 13.9 | 175.6 | -71.6 | -175.8 | 168.1 | -138.3 | -3.6 | 114.9 | E1806 | E1806-R1809 PolarHBondContact O-N 3.19Š|
| 1810 | F | 35 | Very low | 42.4 | Very low | 62 Ų | 62 | 119.9 Ų | 119.9 | 27% | 0.272 | 59% | 0.592 | S | S | . | * | | | trans | -88 | 109.5 | 178.4 | -79.2 | -102.4 | 0 | 0 | 0 | 110.9 | Q1765 V1768 L1807 Y1808 | Q1765-F1810 HydrophobicContact CB-CE1 4.26Å; Q1765-F1810 HydrophobicContact CG-CD1 4.15Å; Q1765-F1810 HydrophobicContact CG-CE1 4.22Å; V1768-F1810 HydrophobicContact CB-CZ 4.4Å; V1768-F1810 HydrophobicContact CG1-CE2 4.3Å; V1768-F1810 HydrophobicContact CG1-CZ 3.85Å; L1807-F1810 HydrophobicContact CD2-CE2 4.43Å; L1807-F1810 WeakPolarHBondContact O-CD2 3.38Å; Y1808-F1810 PolarHBondContact O-N 2.8Å |
| 1811 | I | 41.4 | Very low | 41.8 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 71% | 0.708 | 61% | 0.614 | S | S | * | * | | | trans | -75 | 130.1 | 179 | -53 | 175.4 | 0 | 0 | 0 | 110.2 | Q1765 | Q1765-I1811 PolarHBondContact NE2-O 2.98Š|
| 1812 | P | 34.7 | Very low | 40.5 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | | | trans | -63 | 151.9 | 170.8 | -21.8 | 33.9 | 0 | 0 | 0 | 113.1 | | |
| 1813 | I | 35.1 | Very low | 39.2 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | | | trans | -93.7 | 103.7 | 173.1 | -55.6 | 176 | 0 | 0 | 0 | 108.4 | V1762 | V1762-I1813 HydrophobicContact CG2-CD1 4.11Š|
| 1814 | E | 39.1 | Very low | 38.5 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | | | trans | -76.4 | 146.1 | 175.4 | -66.6 | -169.2 | 151 | 0 | 0 | 112.4 | | |
| 1815 | P | 31.1 | Very low | 37.7 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | | | trans | -77.2 | 125 | 174 | 31 | -33.1 | 0 | 0 | 0 | 111.5 | N1817 | P1815-N1817 PolarHBondContact O-N 3.39Š|
| 1816 | A | 34.4 | Very low | 36.4 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | | | trans | -78.4 | 88.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | I1818 | A1816-I1818 PolarHBondContact O-N 2.76Š|
| 1817 | N | 33.2 | Very low | 35.4 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | | | trans | -74 | 107.4 | 172.7 | -109.7 | -38.5 | 0 | 0 | 0 | 111.3 | P1815 H1819 | P1815-N1817 PolarHBondContact O-N 3.39Å; N1817-H1819 PolarHBondContact O-N 3.07Å; N1817-H1819 VanDerWaalsContact O-N 3.17Å |
| 1818 | I | 35.6 | Very low | 34.8 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | | | trans | -73.9 | 106.2 | 178.5 | -58.8 | 176 | 0 | 0 | 0 | 109.8 | A1816 H1820 | A1816-I1818 PolarHBondContact O-N 2.76Å; I1818-H1820 WeakPolarHBondContact CG2-CE1 3.48Å; I1818-H1820 WeakPolarHBondContact CG2-ND1 3.4Å |
| 1819 | H | 34 | Very low | 34.2 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | | | trans | -80.6 | 122.9 | 169.3 | -125.7 | 56.6 | 0 | 0 | 0 | 110 | N1817 | N1817-H1819 PolarHBondContact O-N 3.07Å; N1817-H1819 VanDerWaalsContact O-N 3.17Å |
| 1820 | H | 36.1 | Very low | 33.3 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | trans | -124.4 | 122.5 | 174.5 | -86.1 | 7.8 | 0 | 0 | 0 | 110.3 | I1818 | I1818-H1820 WeakPolarHBondContact CG2-CE1 3.48Å; I1818-H1820 WeakPolarHBondContact CG2-ND1 3.4Å |
| 1821 | H | 35 | Very low | 33.1 | Very low | 177 Ų | 177 | 133 Ų | 133 | 82% | 0.819 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74 | 139.8 | 175.6 | -78.8 | -79.3 | 0 | 0 | 0 | 111.1 | | |
| 1822 | P | 36 | Very low | 32.6 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 156.5 | -177.8 | 28.5 | -34.8 | 0 | 0 | 0 | 113.6 | | |
| 1823 | N | 31.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -83 | 136.7 | -164.5 | -174.5 | -3.7 | 0 | 0 | 0 | 113.7 | | |
| 1824 | I | 32.3 | Very low | 32.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -112.6 | 102.2 | 165.6 | -61 | -179.1 | 0 | 0 | 0 | 109.1 | | |
| 1825 | N | 29.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | | | trans | -70.8 | 131.1 | 173.3 | -73.1 | -67.6 | 0 | 0 | 0 | 111.3 | | |
| 1826 | T | 30.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 145 Ų | 145 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -145.7 | 111.9 | 157.6 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1827 | T | 27.4 | Very low | 31.4 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | -88.1 | 120.5 | -178.3 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1828 | I | 31.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | | | trans | -131.6 | 121.9 | 160.7 | -60.5 | -175.9 | 0 | 0 | 0 | 109.5 | | |
| 1829 | S | 29.6 | Very low | 31 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -94.2 | 155.3 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1830 | T | 27 | Very low | 30.7 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -91.8 | 119.4 | -175.5 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1831 | T | 29.3 | Very low | 30.2 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | 179.5 | 158.4 | 139.4 | 21.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1832 | N | 31.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 71.8 | 82.9 | 159.2 | -66.3 | -34.8 | 0 | 0 | 0 | 121.7 | | |
| 1833 | K | 30.4 | Very low | 29.4 | Very low | 180 Ų | 180 | 144 Ų | 144 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | | 40.6 | 94.6 | 120.7 | -59.6 | -179.7 | -179.8 | 176.7 | 0 | 120 | | |
| 1834 | F | 31.2 | Very low | 29.2 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | -157.7 | 101 | 135.2 | -91.9 | -78.4 | 0 | 0 | 0 | 105.3 | | |
| 1835 | I | 29.4 | Very low | 29 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | | 33.4 | 83.3 | 78.5 | -46.2 | -178.2 | 0 | 0 | 0 | 113.4 | | |
| 1836 | Q | 31.3 | Very low | 29.1 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | -148 | 135.9 | 131.5 | -156 | 148.1 | -11.7 | 0 | 0 | 111.2 | | |
| 1837 | I | 27.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | -100.6 | 137.9 | -178.4 | -70.9 | 162.1 | 0 | 0 | 0 | 105.4 | | |
| 1838 | P | 31.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | | | | -153.9 | 164.8 | 79.4 | 39.2 | -17.6 | 0 | 0 | 0 | 119.6 | | |
| 1839 | N | 28.7 | Very low | 29.2 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | 34.7 | 120 | 137.3 | -48.1 | -3.8 | 0 | 0 | 0 | 118.3 | | |
| 1840 | T | 26.8 | Very low | 29.4 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | | 44.9 | 130 | 66.2 | 72.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1841 | N | 26.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | 82.7 | 155.9 | 162.2 | -138.7 | -5.8 | 0 | 0 | 0 | 117.3 | | |
| 1842 | L | 28.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | | | trans | 75 | 92.4 | 175.2 | -55.9 | 175.2 | 0 | 0 | 0 | 118.9 | | |
| 1843 | Q | 26.6 | Very low | 29.8 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | | 21.6 | 122.9 | 120 | -64.1 | 167.5 | -29.9 | 0 | 0 | 118.8 | | |
| 1844 | S | 27 | Very low | 29.9 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -140.7 | 90.6 | 150.5 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1845 | V | 28.5 | Very low | 30 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | | | trans | -84.3 | 137.1 | 167.2 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | T1847 | V1845-T1847 HydrophobicContact CG1-CG2 3.8Š|
| 1846 | L | 31.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | | | trans | -136.8 | 94.2 | 156 | -71.4 | 170.9 | 0 | 0 | 0 | 104.8 | | |
| 1847 | T | 30.2 | Very low | 30.7 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 69% | 0.685 | S | S | * | * | | | | 40.8 | 103.9 | 73.2 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | V1845 | V1845-T1847 HydrophobicContact CG1-CG2 3.8Š|
| 1848 | D | 28.8 | Very low | 31 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | | | trans | -162.9 | 133.1 | 136.4 | -89.6 | -25.5 | 0 | 0 | 0 | 105 | | |
| 1849 | E | 32.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | | | cis | -146.1 | 151.5 | 6.2 | -101.5 | -166.8 | 119.5 | 0 | 0 | 113.8 | | |
| 1850 | Q | 32.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | | | trans | 63.9 | 114.3 | 141.5 | -67.3 | -168.2 | 41.2 | 0 | 0 | 125.2 | | |
| 1851 | H | 33.4 | Very low | 31.8 | Very low | 165 Ų | 165 | 124.6 Ų | 124.6 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | | | trans | 65.8 | 152.3 | 135.7 | -63.2 | -62.8 | 0 | 0 | 0 | 123.3 | | |
| 1852 | S | 31.3 | Very low | 32.2 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 56% | 0.559 | 68% | 0.675 | S | S | * | * | | | cis | -178.7 | 139.6 | -45.9 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1853 | N | 31.6 | Very low | 32.5 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | | | trans | 72.2 | 161.6 | 159.6 | -56.3 | -17.4 | 0 | 0 | 0 | 118.4 | | |
| 1854 | F | 33.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 45% | 0.447 | 66% | 0.664 | S | S | . | * | | | cis | -158.6 | -179.1 | -11 | -95.6 | -179.6 | 0 | 0 | 0 | 107.7 | I41 N42 S43 S44 | I41-F1854 HydrophobicContact CG2-CE1 4.42Å; I41-F1854 WeakPolarHBondContact O-CE2 3.15Å; I41-F1854 VanDerWaalsContact O-CZ 3.3Å; I41-F1854 WeakPolarHBondContact O-CZ 3.37Å; N42-F1854 WeakPolarHBondContact O-CA 3.27Å; N42-F1854 WeakPolarHBondContact O-CD2 3.46Å; N42-F1854 WeakPolarHBondContact O-CG 3.29Å; S43-F1854 CarbonylContact C-O 3.57Å; S43-F1854 CarbonylContact O-C 3.24Å; S43-F1854 WeakPolarHBondContact O-CA 3.23Å; S44-F1854 PolarHBondContact N-O 3.45Å; S44-F1854 PolarHBondContact OG-O 3.05Å |
| 1855 | V | 33.7 | Very low | 33.3 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 50% | 0.503 | 66% | 0.66 | S | S | . | * | | | cis | -162.7 | 36.4 | 38.7 | 84.7 | 0 | 0 | 0 | 0 | 124.9 | N42 S43 S44 | N42-V1855 HydrophobicContact CB-CB 4.27Å; N42-V1855 HydrophobicContact CB-CG2 3.82Å; N42-V1855 WeakPolarHBondContact CB-O 3.26Å; N42-V1855 VanDerWaalsContact CG-O 3.25Å; N42-V1855 WeakPolarHBondContact ND2-CG2 3.37Å; N42-V1855 PolarHBondContact ND2-O 3.47Å; S43-V1855 PolarHBondContact O-N 3.25Å; S44-V1855 VanDerWaalsContact N-N 3.11Å; S44-V1855 PolarHBondContact OG-N 2.7Å |
| 1856 | N | 37 | Very low | 33.5 | Very low | 67 Ų | 67 | 119.3 Ų | 119.3 | 36% | 0.358 | 66% | 0.657 | S | S | . | * | | | trans | 69.4 | -175.6 | 166.9 | -108.5 | -2.7 | 0 | 0 | 0 | 118.1 | N42 S43 | N42-N1856 VanDerWaalsContact CA-CB 3.44Å; N42-N1856 HydrophobicContact CB-CB 3.64Å; N42-N1856 PolarHBondContact N-ND2 3.13Å; N42-N1856 WeakPolarHBondContact OD1-CB 3.22Å; N42-N1856 VanDerWaalsContact OD1-CG 3.26Å; N42-N1856 PolarHBondContact OD1-ND2 3.42Å; S43-N1856 VanDerWaalsContact OG-CA 3.28Å; S43-N1856 WeakPolarHBondContact OG-CA 3.37Å; S43-N1856 PolarHBondContact OG-N 3.01Å |
| 1857 | K | 37.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 59% | 0.591 | 65% | 0.653 | S | S | * | * | | | cis | -145.6 | 173.1 | 7 | -148.9 | 151.9 | -173.5 | 165.7 | 0 | 112.6 | E40 | E40-K1857 IonicContact OE1-NZ 2.65Å; E40-K1857 PolarHBondContact OE1-NZ 3.16Å |
| 1858 | S | 34.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | | | trans | -50.2 | 173.5 | 178.8 | -37.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1859 | T | 36.5 | Very low | 33.9 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 74% | 0.742 | 65% | 0.649 | S | S | * | * | | | cis | -170.8 | 146.9 | 40.3 | -21.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1860 | S | 33.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | | | trans | 29.7 | 150.8 | 139.5 | 69.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1861 | V | 34.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | | | cis | -157.6 | 127 | 42.3 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1862 | S | 34 | Very low | 33.5 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | | | trans | 34.3 | 145.2 | 133.3 | -158.6 | 0 | 0 | 0 | 0 | 125.3 | | |
| 1863 | T | 34.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | | | trans | 89.7 | 119 | 138.3 | 21.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1864 | N | 34.1 | Very low | 33.6 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | | | trans | 86.4 | 115.2 | 133.2 | -75.7 | -10.9 | 0 | 0 | 0 | 122.9 | | |
| 1865 | Q | 35.4 | Very low | 33.6 | Very low | 166 Ų | 166 | 118.1 Ų | 118.1 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | | | | 87 | 126.9 | 123.8 | -78 | -171.4 | -4.8 | 0 | 0 | 121.8 | | |
| 1866 | V | 34 | Very low | 33.7 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | | | | 102.3 | 120.3 | 124.2 | 155.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1867 | M | 34.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | 71.7 | 123.9 | 150.5 | -82.2 | -168.9 | -70 | 0 | 0 | 123.1 | | |
| 1868 | M | 32.1 | Very low | 33.2 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | | | | 74.2 | 108.3 | 126.3 | -63.2 | -73.5 | -171.3 | 0 | 0 | 120.7 | | |
| 1869 | N | 32.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | | | | 80.1 | 129.5 | 118.6 | -67.6 | 9.1 | 0 | 0 | 0 | 122.6 | | |
| 1870 | T | 29.1 | Very low | 33 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | | | trans | 71.9 | 111.8 | 135.4 | 52.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1871 | T | 30.8 | Very low | 33 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | | 87.1 | 146.2 | 120.6 | -57.3 | 0 | 0 | 0 | 0 | 119 | | |
| 1872 | S | 30.4 | Very low | 33 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | trans | 62.4 | 112.9 | 174.6 | 39.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1873 | A | 31.2 | Very low | 33 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | | | cis | 79.2 | 161.5 | 49.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1874 | L | 32.9 | Very low | 32.8 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | | | trans | 83.3 | 121.3 | -178.1 | -60.8 | 166.6 | 0 | 0 | 0 | 117.3 | | |
| 1875 | N | 33 | Very low | 32.6 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 69.4 | 146.1 | 140.5 | -65.2 | -10.4 | 0 | 0 | 0 | 119 | | |
| 1876 | T | 35.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | | | cis | -145 | 160.7 | 7.6 | -19.3 | 0 | 0 | 0 | 0 | 111 | | |
| 1877 | H | 31.2 | Very low | 32.3 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -47.7 | 151.8 | 156.1 | -67.4 | -85.2 | 0 | 0 | 0 | 111.2 | | |
| 1878 | F | 33.4 | Very low | 32.1 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | | | | -162.4 | 118.7 | 113.4 | -104.3 | -65.3 | 0 | 0 | 0 | 112.8 | | |
| 1879 | T | 33.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | trans | 53 | 103 | 140.4 | 44.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1880 | T | 33 | Very low | 32.2 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | | 67.8 | 131.2 | 111.8 | 57.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1881 | D | 32.5 | Very low | 32.6 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | 94.1 | 132.8 | 134 | -60.3 | -6.2 | 0 | 0 | 0 | 121.9 | | |
| 1882 | D | 36.5 | Very low | 32.5 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | 63 | 91 | 147.6 | -63.8 | -13.5 | 0 | 0 | 0 | 121.2 | | |
| 1883 | N | 32.4 | Very low | 32.5 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | | 42.4 | 103.6 | 110 | -69.5 | -22.2 | 0 | 0 | 0 | 117.8 | N1885 | N1883-N1885 PolarHBondContact O-N 3.22Š|
| 1884 | T | 31.1 | Very low | 32.4 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | | 34.1 | 92 | 125.9 | 59 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1885 | N | 30.5 | Very low | 32.4 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | | | | -159.9 | 105.8 | 125.9 | -112.8 | -72.4 | 0 | 0 | 0 | 113.7 | N1883 I1887 | N1883-N1885 PolarHBondContact O-N 3.22Å; N1885-I1887 PolarHBondContact O-N 3.48Å |
| 1886 | T | 33.2 | Very low | 32.7 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | | | | 23.8 | 90.5 | 119.9 | -29.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1887 | I | 29.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | -160.1 | 116.2 | 148.1 | -91.7 | 133.4 | 0 | 0 | 0 | 108.6 | N1885 | N1885-I1887 PolarHBondContact O-N 3.48Š|
| 1888 | N | 31 | Very low | 32.7 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | trans | -161 | 95.2 | 134.4 | -120.6 | -34 | 0 | 0 | 0 | 113 | N1890 | N1888-N1890 PolarHBondContact O-N 3.18Š|
| 1889 | N | 35 | Very low | 32.8 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | 39.7 | 80.7 | 131.8 | -61.6 | -54.8 | 0 | 0 | 0 | 117.6 | | |
| 1890 | N | 31.5 | Very low | 33.1 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | | | trans | -71.9 | 132.9 | 143.2 | -147 | -16.8 | 0 | 0 | 0 | 108.1 | N1888 S1892 | N1888-N1890 PolarHBondContact O-N 3.18Å; N1890-S1892 PolarHBondContact O-N 3.5Å; N1890-S1892 VanDerWaalsContact O-N 3.13Å |
| 1891 | S | 36.4 | Very low | 32.9 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | | | trans | -76.1 | 107.5 | -161.1 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1892 | S | 29.4 | Very low | 32.8 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | 49.4 | 137.6 | 140 | 61.7 | 0 | 0 | 0 | 0 | 120.8 | N1890 | N1890-S1892 PolarHBondContact O-N 3.5Å; N1890-S1892 VanDerWaalsContact O-N 3.13Å |
| 1893 | T | 30.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | 67.7 | 132 | 157.8 | 45.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1894 | S | 28.6 | Very low | 32.4 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | cis | -172.4 | 142.2 | 2.9 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1895 | R | 34.2 | Very low | 32.6 | Very low | 234 Ų | 234 | 134.6 Ų | 134.6 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | | 64.3 | 159.9 | 128.9 | -75.6 | -175.8 | 166.7 | -177 | -4 | 120.6 | | |
| 1896 | P | 38.7 | Very low | 33 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | cis | -147.8 | 177.7 | -26.7 | 39.7 | -21.2 | 0 | 0 | 0 | 117 | | |
| 1897 | L | 32.5 | Very low | 33.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | 61.9 | 117.4 | 138.5 | -75.2 | 159.2 | 0 | 0 | 0 | 121.7 | | |
| 1898 | S | 34.6 | Very low | 33.8 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 56% | 0.559 | 74% | 0.743 | S | S | * | * | | | trans | -0.4 | 148.5 | 131.3 | 63.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1899 | H | 35.8 | Very low | 34.2 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | | -161.5 | 159.8 | 108.3 | -100.2 | -62.7 | 0 | 0 | 0 | 111.5 | | |
| 1900 | P | 39.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | trans | -80.7 | -172.7 | 177.4 | 37 | -36.4 | 0 | 0 | 0 | 111.3 | T1902 | P1900-T1902 PolarHBondContact O-N 3.29Š|
| 1901 | F | 29.1 | Very low | 34.5 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -45 | 138.5 | 160.8 | -77.1 | -100.1 | 0 | 0 | 0 | 111.9 | | |
| 1902 | T | 29.4 | Very low | 34.4 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 64.5 | 89.6 | 161.9 | 56.3 | 0 | 0 | 0 | 0 | 119.7 | P1900 | P1900-T1902 PolarHBondContact O-N 3.29Š|
| 1903 | S | 27.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | | | | 74.2 | 132.9 | 128.9 | 73.7 | 0 | 0 | 0 | 0 | 123 | | |
| 1904 | K | 32.3 | Very low | 34.6 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | | | trans | 84 | 92.5 | 155.8 | -61.1 | 173.5 | -179 | 175.1 | 0 | 121.4 | | |
| 1905 | S | 36.8 | Very low | 34.7 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | | 64.5 | 112.8 | 129.1 | -155.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1906 | T | 37.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | 68.2 | 166.1 | 144.9 | 50 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1907 | T | 42 | Very low | 34.2 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | cis | -138.7 | -108.4 | 14.4 | -35 | 0 | 0 | 0 | 0 | 115 | | |
| 1908 | S | 37.2 | Very low | 34.3 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | trans | -168 | -171.9 | -164.9 | 63.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1909 | T | 39.9 | Very low | 34.2 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | | | cis | -164.6 | 140 | 15.5 | -5.9 | 0 | 0 | 0 | 0 | 113 | | |
| 1910 | T | 37.2 | Very low | 34.2 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | | | trans | 67.4 | 122.4 | 140.5 | -22.6 | 0 | 0 | 0 | 0 | 125.2 | | |
| 1911 | T | 35.8 | Very low | 34 | Very low | 112 Ų | 112 | 117 Ų | 117 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | | | trans | 69.8 | 136.2 | 140.4 | 47 | 0 | 0 | 0 | 0 | 127.5 | | |
| 1912 | N | 34.7 | Very low | 34.3 | Very low | 137 Ų | 137 | 111.1 Ų | 111.1 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | | | | 105 | 135.5 | 128.2 | -80.2 | 3.4 | 0 | 0 | 0 | 124.3 | | |
| 1913 | T | 31.4 | Very low | 34.6 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | | | trans | 77.8 | 104 | 143.1 | 43.2 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1914 | T | 31.8 | Very low | 34.8 | Very low | 117 Ų | 117 | 110.9 Ų | 110.9 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | | | | 92.2 | 142.5 | 117.9 | -44.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1915 | T | 30.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 73% | 0.73 | 65% | 0.646 | S | S | * | * | | | trans | 80.1 | 93.5 | 156.4 | 27.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1916 | V | 29.4 | Very low | 34.7 | Very low | 120 Ų | 120 | 109.2 Ų | 109.2 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | | | | 81.1 | 122 | 107 | 162.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1917 | T | 32.5 | Very low | 34.6 | Very low | 123 Ų | 123 | 109.8 Ų | 109.8 | 76% | 0.755 | 64% | 0.639 | S | S | * | * | | | trans | 79.6 | 124.9 | 153.4 | 41.1 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1918 | T | 34.3 | Very low | 34 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | | | trans | 87.4 | 64.1 | 133.4 | -48 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1919 | V | 32.5 | Very low | 33.8 | Very low | 68 Ų | 68 | 110.3 Ų | 110.3 | 41% | 0.412 | 64% | 0.636 | S | S | . | * | | | | 80.5 | 91.3 | 111.8 | -179.7 | 0 | 0 | 0 | 0 | 120.8 | S723 V725 | S723-V1919 WeakPolarHBondContact O-CG1 3.35Å; S723-V1919 VanDerWaalsContact OG-CG1 3.29Å; S723-V1919 WeakPolarHBondContact OG-CG1 3.27Å; V725-V1919 HydrophobicContact CG2-CG1 4.21Å |
| 1920 | H | 36.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 60% | 0.597 | 64% | 0.638 | S | S | * | * | | | | 74 | 159.3 | 104.8 | -150.3 | 31.8 | 0 | 0 | 0 | 118.1 | K724 V725 | K724-H1920 PolarHBondContact NZ-O 2.87Å; V725-H1920 HydrophobicContact CB-CB 4.19Å; V725-H1920 WeakPolarHBondContact CB-CD2 3.33Å; V725-H1920 HydrophobicContact CG1-CB 4.03Å; V725-H1920 WeakPolarHBondContact CG1-CD2 3.44Å; V725-H1920 WeakPolarHBondContact CG1-ND1 3.43Å; V725-H1920 HydrophobicContact CG2-CB 3.43Å; V725-H1920 VanDerWaalsContact CG2-CB 3.43Å; V725-H1920 WeakPolarHBondContact CG2-CD2 3.26Å |
| 1921 | S | 34.6 | Very low | 33.5 | Very low | 37 Ų | 37 | 108.7 Ų | 108.7 | 26% | 0.259 | 64% | 0.64 | S | S | . | * | | | trans | 100.1 | 116.1 | 167.4 | -142.5 | 0 | 0 | 0 | 0 | 121.2 | K724 V725 | K724-S1921 VanDerWaalsContact CE-CB 3.43Å; V725-S1921 VanDerWaalsContact CG1-CA 3.49Å; V725-S1921 VanDerWaalsContact CG2-CB 3.49Å |
| 1922 | S | 36.6 | Very low | 33.3 | Very low | 70 Ų | 70 | 112.7 Ų | 112.7 | 49% | 0.49 | 65% | 0.648 | S | S | . | * | | | trans | 53.9 | 130.1 | 144 | 50.2 | 0 | 0 | 0 | 0 | 118.2 | H726 | H726-S1922 PolarHBondContact CE1-N 3.42Å; H726-S1922 PolarHBondContact NE2-N 3.48Å |
| 1923 | N | 35.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 111.5 Ų | 111.5 | 60% | 0.599 | 65% | 0.65 | S | S | * | * | | | cis | -154.6 | 171.6 | 17.2 | -133.5 | -9.8 | 0 | 0 | 0 | 113.7 | C727 | C727-N1923 PolarHBondContact SG-OD1 3.41Š|
| 1924 | I | 31.8 | Very low | 33.4 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | | | trans | -18.4 | 131.2 | 164.1 | -61.3 | 155.1 | 0 | 0 | 0 | 116.2 | T728 | T728-I1924 HydrophobicContact CG2-CD1 4.1Å; T728-I1924 HydrophobicContact CG2-CG1 4.43Å |
| 1925 | H | 32.8 | Very low | 33.6 | Very low | 162 Ų | 162 | 111.8 Ų | 111.8 | 75% | 0.75 | 64% | 0.643 | S | S | * | * | | | trans | -109.3 | 128.5 | 152.9 | -116 | -84.4 | 0 | 0 | 0 | 105.4 | | |
| 1926 | V | 33 | Very low | 33.9 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 62% | 0.624 | 64% | 0.641 | S | S | * | * | | | cis | 54.8 | 119 | 49.9 | -158 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1927 | I | 35.9 | Very low | 34.1 | Very low | 135 Ų | 135 | 113.7 Ų | 113.7 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | | | | -155.7 | 179.2 | 53.8 | -19.3 | -179.1 | 0 | 0 | 0 | 108.8 | | |
| 1928 | S | 30.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | | | | 179.9 | 127.9 | 81.6 | -99.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1929 | L | 33.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | | | trans | 91.7 | 99.5 | 132.1 | -61.9 | 168.6 | 0 | 0 | 0 | 123.1 | | |
| 1930 | T | 31.5 | Very low | 35 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | | | | 86.4 | 130.6 | 120.9 | 55.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1931 | G | 37.8 | Very low | 35 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | | | trans | 156.1 | 38.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1932 | K | 32.3 | Very low | 35.1 | Very low | 196 Ų | 196 | 124.5 Ų | 124.5 | 85% | 0.852 | 67% | 0.674 | S | S | * | * | | | | 53.5 | 137 | 108.5 | -80.7 | -170.4 | 174.9 | -178.2 | 0 | 117.4 | | |
| 1933 | S | 34.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | | | trans | 83.6 | 128.1 | 157.4 | -160.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1934 | N | 33.8 | Very low | 35.5 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | | | cis | -167.9 | 169.2 | -20.9 | -127 | 36.7 | 0 | 0 | 0 | 111.1 | | |
| 1935 | D | 35.4 | Very low | 36 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 63% | 0.631 | 70% | 0.696 | S | S | * | * | | | trans | 68.1 | 111.3 | 144.6 | -64.2 | -27 | 0 | 0 | 0 | 123.3 | | |
| 1936 | N | 36.2 | Very low | 36.1 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | | | | 94.9 | 98.8 | 120.9 | -69.8 | -24.3 | 0 | 0 | 0 | 122.7 | | |
| 1937 | M | 34.9 | Very low | 36.2 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | | | | 100.6 | 147.4 | 107.5 | -79 | -176.6 | 100.1 | 0 | 0 | 120.9 | | |
| 1938 | I | 39.3 | Very low | 36 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 65% | 0.651 | 69% | 0.69 | S | S | * | * | | | trans | 79.1 | 82.3 | 150.2 | -75.3 | 163.4 | 0 | 0 | 0 | 116.3 | | |
| 1939 | N | 38.5 | Very low | 36.3 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | | | | 103.4 | 107.2 | 109.5 | -78.4 | -5 | 0 | 0 | 0 | 120.2 | | |
| 1940 | K | 39.5 | Very low | 36.4 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 68% | 0.683 | 71% | 0.712 | S | S | * | * | | | | 86.5 | 142.8 | 113.6 | -70.5 | 179.2 | 174.8 | -90.8 | 0 | 118.9 | | |
| 1941 | Q | 35.7 | Very low | 36.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 53% | 0.528 | 71% | 0.71 | S | S | . | * | | | cis | -171.7 | 143.6 | -13.1 | 174.2 | 158 | -1.3 | 0 | 0 | 109.8 | | |
| 1942 | E | 38.3 | Very low | 36.6 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | | | trans | 63.8 | 143.6 | 162 | -74.8 | 157 | -168.7 | 0 | 0 | 117.1 | | |
| 1943 | L | 39.2 | Very low | 36.9 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | | | cis | -142.7 | 151.8 | -16 | -86.2 | 143.3 | 0 | 0 | 0 | 104.6 | | |
| 1944 | L | 40 | Very low | 37 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | | | | 48.7 | 135.2 | 70.4 | -66.2 | 158.7 | 0 | 0 | 0 | 111.4 | | |
| 1945 | E | 42.2 | Very low | 37.3 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | | | cis | -137.9 | 135.4 | 33.5 | -70.2 | 166 | 162.9 | 0 | 0 | 111.9 | | |
| 1946 | D | 35.5 | Very low | 37.4 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | | | | 68.4 | 124.7 | 125.2 | -53.2 | 1.1 | 0 | 0 | 0 | 120.2 | | |
| 1947 | E | 35 | Very low | 37.5 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | | | | 64.9 | 117.5 | 79 | -102.4 | -175.4 | 166.5 | 0 | 0 | 111.4 | | |
| 1948 | Y | 33.1 | Very low | 37.7 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | cis | -158.3 | 153.7 | 42.5 | -108.6 | -79.8 | 0 | 0 | 0 | 113.6 | | |
| 1949 | Y | 36.1 | Very low | 37.5 | Very low | 292 Ų | 292 | 152.5 Ų | 152.5 | 100% | 1.145 | 70% | 0.704 | S | S | * | * | | | trans | 63.4 | 0 | 170.7 | -77.7 | -80 | 0 | 0 | 0 | 117.6 | | |