| 1 | M | 32.4 | Very low | 37 | Very low | 240 Ų | 240 | 146.1 Ų | 146.1 | 100% | 1.182 | 82% | 0.821 | S | S | * | * | | | | 0 | 120.4 | 0 | -66.7 | 164 | -178.2 | 0 | 0 | 105.5 | | |
| 2 | A | 38.5 | Very low | 36.5 | Very low | 91 Ų | 91 | 148.8 Ų | 148.8 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | | | | 71 | 122.4 | 60.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 3 | S | 37.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | cis | -145.8 | 177.1 | 9.4 | -70.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 4 | A | 35.8 | Very low | 35.4 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -78.4 | 159.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 5 | P | 56.4 | Low | 35.2 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -97.7 | 176.3 | -175.1 | 39.7 | -37.3 | 0 | 0 | 0 | 115.2 | | |
| 6 | D | 40.9 | Very low | 34.9 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -62.7 | 159.4 | 174.6 | -45 | -108 | 0 | 0 | 0 | 114.8 | | |
| 7 | Y | 31.3 | Very low | 34.8 | Very low | 225 Ų | 225 | 140.2 Ų | 140.2 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | | -167.7 | 178.1 | 100.5 | -143.6 | -111.2 | 0 | 0 | 0 | 111.9 | | |
| 8 | S | 39.3 | Very low | 34.6 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -139.3 | 167.7 | -178.6 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 9 | S | 31.4 | Very low | 34.4 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | trans | 89.6 | 159.2 | 166.5 | 81.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 10 | Y | 28.6 | Very low | 34.2 | Very low | 230 Ų | 230 | 138.4 Ų | 138.4 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | 76.6 | 154.8 | 171.8 | -80.9 | -82.7 | 0 | 0 | 0 | 121.1 | | |
| 11 | N | 34.6 | Very low | 34 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -150.5 | 118 | -161.7 | 163.3 | 15.3 | 0 | 0 | 0 | 108.2 | | |
| 12 | Q | 30.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -163.1 | 163.6 | 162.4 | -121.5 | 178.7 | 26.5 | 0 | 0 | 114.1 | | |
| 13 | S | 28.7 | Very low | 33.5 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -30.2 | 159.4 | 165.6 | 47.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 14 | G | 28.8 | Very low | 33 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 155.4 | -165.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 15 | A | 32.1 | Very low | 33 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | 69.7 | 150.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 16 | Q | 31.3 | Very low | 32.7 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | cis | -165.6 | 160.6 | -11.5 | -115.3 | -175.9 | 78.7 | 0 | 0 | 107.4 | | |
| 17 | Q | 33.1 | Very low | 32.2 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | cis | -117.8 | -127 | -3.1 | -60.1 | -167.8 | -22.9 | 0 | 0 | 110.5 | | |
| 18 | G | 30.3 | Very low | 32.6 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | cis | -177.6 | -168.1 | 2.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 19 | Y | 30.7 | Very low | 32.1 | Very low | 233 Ų | 233 | 129.8 Ų | 129.8 | 91% | 0.914 | 74% | 0.742 | S | S | * | * | | | trans | -95.3 | 153.4 | -175.8 | -74.7 | -94.6 | 0 | 0 | 0 | 112.1 | | |
| 20 | A | 32.1 | Very low | 32 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | | | cis | -150.4 | -177.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 21 | S | 30.1 | Very low | 32.2 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | cis | -159.6 | 148.6 | 14.9 | -15.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 22 | Y | 30.4 | Very low | 32.2 | Very low | 219 Ų | 219 | 127.9 Ų | 127.9 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | | | trans | 36.9 | 111.4 | 155.7 | -56.7 | -68.6 | 0 | 0 | 0 | 120.2 | | |
| 23 | A | 29.2 | Very low | 32.2 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | | 86.6 | 138.5 | 65.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 24 | A | 27.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | | | cis | -149.1 | 174 | -0.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 25 | Q | 34.3 | Very low | 32.1 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | -113.6 | -167.4 | 172 | -74.4 | -87.9 | -48.2 | 0 | 0 | 108.7 | | |
| 26 | P | 51.1 | Low | 32 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | | -132 | -162.3 | -68 | 40.1 | -23.8 | 0 | 0 | 0 | 112.5 | | |
| 27 | S | 30.7 | Very low | 31.7 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | trans | 73.2 | 175 | 145.6 | 74.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 28 | Q | 39.9 | Very low | 31.2 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 45% | 0.449 | 75% | 0.754 | S | S | . | * | | | cis | -172.3 | 115.4 | -47.5 | -86.2 | -160.1 | -0.1 | 0 | 0 | 110.5 | P167 T168 | Q28-P167 HydrophobicContact CB-CG 3.79Å; Q28-P167 HydrophobicContact CG-CG 3.32Å; Q28-T168 HydrophobicContact CB-CG2 3.97Å; Q28-T168 PolarHBondContact OE1-OG1 3.43Å |
| 29 | N | 27.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | | | trans | -163.4 | 148.6 | 165.4 | -153 | 87.7 | 0 | 0 | 0 | 117.6 | P167 T168 | N29-P167 CarbonylContact C-O 3.57Å; N29-T168 CarbonylContact C-O 3.48Å; N29-T168 WeakPolarHBondContact CA-O 3.35Å |
| 30 | Y | 30.9 | Very low | 31.1 | Very low | 168 Ų | 168 | 129 Ų | 129 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | | | trans | -81.3 | 170.5 | -176.9 | -99.4 | -169.4 | 0 | 0 | 0 | 117.5 | P167 T168 | Y30-P167 VanDerWaalsContact CD2-C 3.48Å; Y30-P167 PolarHBondContact N-O 3.25Å; Y30-T168 VanDerWaalsContact CB-O 3.28Å; Y30-T168 WeakPolarHBondContact CB-O 3.28Å; Y30-T168 PolarHBondContact N-O 2.82Å |
| 31 | G | 32.7 | Very low | 31 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | | 150.6 | 93.7 | 128.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 32 | Q | 33 | Very low | 30.7 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | 28.8 | 155.2 | 146.2 | -67 | -166.1 | 23.1 | 0 | 0 | 127.2 | | |
| 33 | S | 30.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | | | trans | 80.2 | 155.5 | 156.8 | 82.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 34 | A | 28.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | cis | -146.7 | -158 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 35 | Q | 28 | Very low | 30.5 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | trans | -102.1 | 171.6 | -171.5 | -78 | -163.2 | -31.1 | 0 | 0 | 116.9 | | |
| 36 | Q | 29.1 | Very low | 30.1 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | 84 | 143.1 | 160.2 | -45.2 | -173.5 | 16.3 | 0 | 0 | 116.7 | | |
| 37 | G | 25.3 | Very low | 29 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | | | cis | 172 | 174.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 38 | Y | 24.3 | Very low | 29.2 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 93% | 0.929 | 76% | 0.764 | S | S | * | * | | | trans | 74.3 | 148 | 166 | -65.6 | -85.4 | 0 | 0 | 0 | 122 | | |
| 39 | G | 31.5 | Very low | 29.2 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 108.3 | 87.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 40 | Q | 27.3 | Very low | 29.6 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | 73.4 | 113.8 | 57 | -75.8 | -79.1 | 33.8 | 0 | 0 | 117.2 | | |
| 41 | Q | 29.2 | Very low | 29.6 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 70.9 | 158.8 | 155.8 | -54.8 | 168.9 | 19.8 | 0 | 0 | 116.7 | | |
| 42 | N | 23.6 | Very low | 29.4 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | cis | -149.1 | 176.9 | 4.9 | -152.7 | 2.1 | 0 | 0 | 0 | 114.3 | | |
| 43 | Y | 27.2 | Very low | 29.3 | Very low | 224 Ų | 224 | 135.7 Ų | 135.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | trans | -30.6 | 150.6 | 175.3 | -100.3 | -117.4 | 0 | 0 | 0 | 122.7 | | |
| 44 | G | 28.8 | Very low | 29.3 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | 103.2 | 165.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 45 | S | 26.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | cis | -179.3 | 120.8 | -32.8 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 46 | Y | 27.1 | Very low | 29.6 | Very low | 226 Ų | 226 | 133.4 Ų | 133.4 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | 63.5 | 146.8 | 160.1 | -75.4 | -75.9 | 0 | 0 | 0 | 123.3 | | |
| 47 | T | 27.6 | Very low | 29.9 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | 77.8 | 136.4 | 151.7 | 23.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 48 | Q | 33.9 | Very low | 29.9 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 166.6 | 161.4 | -63.9 | 178.2 | -33.7 | 0 | 0 | 111.4 | | |
| 49 | P | 41.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -109.9 | 148.3 | 133.3 | 35.1 | -29.9 | 0 | 0 | 0 | 111.6 | | |
| 50 | A | 34.8 | Very low | 30 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -98.5 | 160.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 51 | A | 30.3 | Very low | 30 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -142.4 | 144 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 52 | A | 29.3 | Very low | 30.1 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -112.4 | -176.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 53 | A | 31.2 | Very low | 31.3 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | cis | -159.6 | -165.1 | 12 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 54 | A | 31.6 | Very low | 31.5 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | 75.9 | 138.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 55 | D | 32.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | cis | -163.2 | -179.6 | -17 | -142.4 | -50.5 | 0 | 0 | 0 | 111.1 | | |
| 56 | S | 30 | Very low | 31.7 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | 108.4 | 60 | 161.5 | -46.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 57 | S | 33.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | | 52.9 | 158.3 | 123.8 | 69.7 | 0 | 0 | 0 | 0 | 125.3 | | |
| 58 | Y | 25.8 | Very low | 31.8 | Very low | 218 Ų | 218 | 124.8 Ų | 124.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | 74 | 125.7 | 173.9 | -113 | -117.6 | 0 | 0 | 0 | 117.2 | | |
| 59 | T | 31 | Very low | 31.6 | Very low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | | | cis | -141.5 | 165.7 | 2.9 | -21.6 | 0 | 0 | 0 | 0 | 112 | | |
| 60 | Q | 27 | Very low | 31.1 | Very low | 168 Ų | 168 | 123.3 Ų | 123.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -109.9 | 142.3 | -169.7 | 169.4 | -170.2 | 64 | 0 | 0 | 113.2 | | |
| 61 | T | 26.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -166 | 117.8 | 141.2 | 4.3 | 0 | 0 | 0 | 0 | 113 | | |
| 62 | T | 31.5 | Very low | 30.8 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -170.8 | 174.7 | 173.2 | 19.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 63 | P | 49.6 | Very low | 30.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | cis | -94.2 | -117.7 | -3.7 | 15.5 | 8.3 | 0 | 0 | 0 | 109.9 | | |
| 64 | A | 31.6 | Very low | 30.7 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | cis | -168.2 | 166.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 65 | A | 31.2 | Very low | 30.6 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | cis | -171.4 | 166.1 | -24.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 66 | G | 28.4 | Very low | 30.5 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | | | cis | -179.1 | -156.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 67 | G | 28.1 | Very low | 30.7 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | 112.7 | 163.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 68 | Y | 28.1 | Very low | 30.7 | Very low | 229 Ų | 229 | 135.3 Ų | 135.3 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | trans | -148.6 | 138.9 | -158.7 | 40.1 | -97.6 | 0 | 0 | 0 | 113.6 | | |
| 69 | A | 30.2 | Very low | 30.8 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -174.2 | 119.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 70 | Q | 30.5 | Very low | 31 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | | 78.4 | 79.5 | 66 | -163 | 174.7 | 17.6 | 0 | 0 | 115.4 | | |
| 71 | Q | 30.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 134 Ų | 134 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | | 74.1 | 123.4 | 118 | -159.7 | 177.9 | 28.9 | 0 | 0 | 122.1 | | |
| 72 | Q | 28.5 | Very low | 31.7 | Very low | 137 Ų | 137 | 135 Ų | 135 | 64% | 0.64 | 78% | 0.778 | S | S | * | * | | | trans | 81 | 128.2 | 144.9 | -90.4 | -168.2 | 92.2 | 0 | 0 | 123.8 | | |
| 73 | Q | 31.6 | Very low | 32.2 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 65 | 164.1 | 146.9 | -44.4 | -88 | 11.1 | 0 | 0 | 115.4 | | |
| 74 | Q | 27.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | cis | -151.6 | 170.8 | 5.7 | -152.9 | 163.2 | -65.4 | 0 | 0 | 110.7 | | |
| 75 | Y | 28.4 | Very low | 31.2 | Very low | 221 Ų | 221 | 136 Ų | 136 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -66.3 | 145.3 | 171.9 | -123.9 | -107 | 0 | 0 | 0 | 112.9 | | |
| 76 | G | 30.7 | Very low | 31 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | -160.2 | 147.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 77 | S | 34.8 | Very low | 31.1 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -146 | 170.6 | -173 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 78 | S | 32.6 | Very low | 32.4 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 77.7 | 151.2 | -178.6 | 87.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 79 | Y | 29.3 | Very low | 33.8 | Very low | 229 Ų | 229 | 137.9 Ų | 137.9 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | cis | -141.4 | 151.4 | 2.4 | -117.8 | -69.6 | 0 | 0 | 0 | 109.8 | | |
| 80 | G | 33.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 178.5 | 143.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 81 | Q | 31.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -113.2 | 172.4 | -167.9 | -92.2 | -99.6 | 41.4 | 0 | 0 | 114.4 | | |
| 82 | Q | 38.5 | Very low | 33.6 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -60.3 | 174.3 | -170.8 | -56.7 | 176.5 | -35 | 0 | 0 | 116 | | |
| 83 | P | 41.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | | -139.7 | 164.9 | 99.6 | 39.9 | -29.7 | 0 | 0 | 0 | 115.4 | | |
| 84 | A | 29.9 | Very low | 33.5 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | trans | -140.9 | 120.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 85 | T | 30.3 | Very low | 33.6 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | 28.3 | 125.5 | 154.8 | 55.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 86 | G | 27.3 | Very low | 33.5 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -152.9 | 151.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 87 | Y | 31.6 | Very low | 33.2 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 91% | 0.91 | 82% | 0.816 | S | S | * | * | | | trans | -117.1 | -170.4 | -173.4 | -99.9 | -85.5 | 0 | 0 | 0 | 110.2 | | |
| 88 | P | 55 | Low | 33 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | | | cis | -129.3 | -125.8 | -20.8 | 36 | -13 | 0 | 0 | 0 | 109.8 | | |
| 89 | P | 56.5 | Low | 32.9 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 68% | 0.675 | 83% | 0.826 | S | S | * | * | | | cis | -129.5 | 175.9 | -42.7 | 37.9 | -21.6 | 0 | 0 | 0 | 115.4 | | |
| 90 | T | 28.5 | Very low | 33 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 91% | 0.908 | 82% | 0.82 | S | S | * | * | | | trans | -160.4 | 165.3 | 138.2 | -1.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 91 | Q | 32.1 | Very low | 33 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -133.5 | 158 | -172.4 | -68.5 | -179.5 | -17.7 | 0 | 0 | 113 | | |
| 92 | S | 26.6 | Very low | 33 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | -148.8 | 163.1 | 152.9 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 93 | T | 30 | Very low | 32.7 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | trans | -122.7 | 148.3 | -154.6 | 40.5 | 0 | 0 | 0 | 0 | 115 | | |
| 94 | A | 27.1 | Very low | 32.2 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | trans | 174.7 | 164.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 95 | H | 31.5 | Very low | 32.2 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 93% | 0.931 | 84% | 0.843 | S | S | * | * | | | trans | -96.7 | 155.6 | 179.7 | -55.7 | -98.7 | 0 | 0 | 0 | 112.6 | | |
| 96 | G | 25.1 | Very low | 32.1 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | | | trans | -170.9 | 147.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 97 | Y | 26 | Very low | 32.3 | Very low | 229 Ų | 229 | 142 Ų | 142 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | | | trans | -122.6 | 178.1 | -176.9 | -150.9 | -99.2 | 0 | 0 | 0 | 110.5 | | |
| 98 | S | 29.1 | Very low | 32.2 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | | | trans | 84.7 | 131.1 | 164.4 | 76.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 99 | Q | 32 | Very low | 31 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | -74.7 | 160.6 | 148.8 | -63.4 | 172.5 | -14.2 | 0 | 0 | 108.7 | | |
| 100 | S | 30.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | | | trans | -146 | 136.4 | 148.3 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 101 | A | 33.8 | Very low | 29.9 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | | | trans | -128.1 | 139.8 | 153 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 102 | Q | 31.1 | Very low | 30 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | | | trans | -109.3 | 132.1 | -176.8 | -70.2 | -175.2 | -21 | 0 | 0 | 111 | | |
| 103 | G | 32.2 | Very low | 31 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | | | trans | 177 | 105.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 104 | Y | 30 | Very low | 31.1 | Very low | 252 Ų | 252 | 133.7 Ų | 133.7 | 99% | 0.988 | 83% | 0.826 | S | S | * | * | | | trans | -83.1 | 145.9 | -175 | -89.2 | -105.6 | 0 | 0 | 0 | 112.9 | | |
| 105 | G | 30.4 | Very low | 31.3 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 164.1 | 132.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 106 | A | 28.4 | Very low | 31.2 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -129.8 | 151.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 107 | S | 30.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | | | trans | 69 | 140.6 | 167.5 | -54.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 108 | G | 29.6 | Very low | 31.7 | Very low | 60 Ų | 60 | 125.3 Ų | 125.3 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | | | cis | 175.5 | 154.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 109 | Y | 30.6 | Very low | 32.6 | Very low | 222 Ų | 222 | 126 Ų | 126 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | | | trans | 44.5 | 125.9 | 162.5 | 74.2 | -92.8 | 0 | 0 | 0 | 123.2 | | |
| 110 | D | 31.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 121.5 Ų | 121.5 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | | | trans | 61 | 158.8 | 137 | -115.3 | -59 | 0 | 0 | 0 | 124.8 | | |
| 111 | G | 30.7 | Very low | 32.7 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | trans | 105.3 | 104.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 112 | T | 34.3 | Very low | 32.6 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | trans | -81.7 | 156.5 | 144.9 | 35.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 113 | P | 47.8 | Very low | 32.6 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | | -156.6 | 170.8 | 52.3 | 43.7 | -21.6 | 0 | 0 | 0 | 120.6 | | |
| 114 | A | 31.1 | Very low | 32.3 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | trans | 38.5 | 142.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 126.3 | | |
| 115 | T | 31.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | | | trans | 86.3 | 149.6 | 140.7 | 30 | 0 | 0 | 0 | 0 | 123.8 | | |
| 116 | A | 30.6 | Very low | 32.2 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | 72.3 | 150.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 117 | A | 29.4 | Very low | 32.4 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | cis | -163.4 | 174.5 | -22.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 118 | A | 31.9 | Very low | 32.3 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -94.1 | 164.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 119 | P | 48 | Very low | 33.4 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | | -130.2 | 161.8 | 107.6 | 11.7 | 10.7 | 0 | 0 | 0 | 111.8 | | |
| 120 | A | 31.8 | Very low | 33.3 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | cis | 76.7 | 137.9 | 36.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 121 | A | 31.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | cis | -169.9 | 151.3 | -17.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 122 | S | 33 | Very low | 33.5 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -164.2 | 131.2 | 160.9 | 44.5 | 0 | 0 | 0 | 0 | 109 | | |
| 123 | Q | 31.1 | Very low | 33.4 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | | 66.3 | 131.9 | 65.1 | -59.8 | -68.3 | 13.8 | 0 | 0 | 113.1 | | |
| 124 | S | 25.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 62% | 0.615 | 82% | 0.816 | S | S | * | * | | | cis | -168.3 | 150.1 | 2.7 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 125 | Y | 28.1 | Very low | 32.6 | Very low | 235 Ų | 235 | 129.8 Ų | 129.8 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | | | trans | 41.2 | 142.5 | 156.7 | -85.8 | -108.1 | 0 | 0 | 0 | 123.9 | | |
| 126 | G | 30.1 | Very low | 32.5 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | 170.6 | 134.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 127 | S | 31.8 | Very low | 32.5 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | | | trans | -100.4 | 165.5 | -166.8 | -57.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 128 | Q | 30.2 | Very low | 33.5 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -75.5 | 179.9 | 162.2 | -68.2 | -84.6 | -48.2 | 0 | 0 | 111.9 | | |
| 129 | P | 52.5 | Low | 33.4 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | cis | -133.9 | -167.8 | -1.6 | 42.5 | -25.1 | 0 | 0 | 0 | 114.8 | | |
| 130 | G | 28.5 | Very low | 32.5 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | -173.4 | 145.6 | 165 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 131 | Y | 35.3 | Very low | 32.5 | Very low | 229 Ų | 229 | 135.8 Ų | 135.8 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | | | trans | -135.5 | 156.4 | -178.8 | -102.7 | -90.4 | 0 | 0 | 0 | 111.2 | | |
| 132 | T | 30.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 139 Ų | 139 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | 148.9 | 160.6 | 157.2 | 39.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 133 | A | 30.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | cis | -162.5 | -171.1 | -23.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 134 | Q | 26 | Very low | 32.3 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -139.8 | 153.6 | -164.6 | 172.3 | -175.1 | -15.1 | 0 | 0 | 112.6 | | |
| 135 | S | 37.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | 130.7 | 156.2 | 164.6 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 136 | A | 28.8 | Very low | 33.5 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | cis | -165.9 | -177.4 | -15.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 137 | Y | 29.8 | Very low | 33.5 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | -81 | 163.7 | -176.6 | -100.5 | -81.1 | 0 | 0 | 0 | 115.9 | | |
| 138 | P | 50.7 | Low | 33.4 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | | -135.6 | 175.9 | 93.4 | 36.8 | -23 | 0 | 0 | 0 | 112.8 | Y140 | P138-Y140 HydrophobicContact CB-CE2 4.35Š|
| 139 | G | 30.3 | Very low | 34 | Very low | 53 Ų | 53 | 130.9 Ų | 130.9 | 55% | 0.546 | 79% | 0.792 | S | S | . | * | | | cis | 120.4 | 136.7 | 11.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 140 | Y | 30.2 | Very low | 32.9 | Very low | 229 Ų | 229 | 133.7 Ų | 133.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | cis | -158.6 | 174 | 3.7 | -48.2 | -89 | 0 | 0 | 0 | 110.1 | P138 | P138-Y140 HydrophobicContact CB-CE2 4.35Š|
| 141 | G | 31.2 | Very low | 32.9 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | -178.8 | 165.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 142 | Q | 31.6 | Very low | 32.5 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -160.5 | 150.4 | -172.9 | -109.7 | -72.2 | 72.8 | 0 | 0 | 118.3 | | |
| 143 | Q | 31 | Very low | 32.3 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 12.2 | 134 | 150.8 | -179.4 | 174.6 | 8.4 | 0 | 0 | 125.2 | | |
| 144 | A | 28 | Very low | 32.3 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | | -178.5 | 158.3 | 128.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 145 | T | 28.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | | | trans | -132.4 | 157.4 | 170.6 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 146 | P | 49.7 | Very low | 32.6 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | | -133.2 | -153.5 | 84 | 25 | -0.9 | 0 | 0 | 0 | 110.8 | | |
| 147 | S | 31 | Very low | 32.6 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | cis | -154.5 | -178.3 | 14.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 148 | A | 29.8 | Very low | 32.5 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -139.8 | 170 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 149 | P | 42.9 | Very low | 31.4 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | | -153.6 | 156.4 | 90.4 | 40.1 | -22.3 | 0 | 0 | 0 | 118.2 | | |
| 150 | Q | 29.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | 61.6 | 146.5 | 143.5 | -72.6 | 175 | -13.4 | 0 | 0 | 120.9 | | |
| 151 | S | 27.4 | Very low | 31 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | cis | -163.2 | 174.7 | -6.1 | 52 | 0 | 0 | 0 | 0 | 113 | | |
| 152 | A | 26.6 | Very low | 31 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | 89 | 91.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 153 | N | 26.7 | Very low | 30.7 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | | 101.9 | 150.7 | 119.5 | -148.7 | 17.2 | 0 | 0 | 0 | 122 | | |
| 154 | S | 31.4 | Very low | 30.5 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | 73.3 | 87.5 | 162 | -59.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 155 | Q | 32.1 | Very low | 30.8 | Very low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | | 31.2 | 136.8 | 119.5 | -73.6 | -68.2 | -22 | 0 | 0 | 120.3 | A157 | Q155-A157 VanDerWaalsContact OE1-N 3.17Š|
| 156 | P | 38.3 | Very low | 30.8 | Very low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | | -133.4 | 160.4 | 81.3 | 39.4 | -30.5 | 0 | 0 | 0 | 115.8 | | |
| 157 | A | 28.8 | Very low | 30.8 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | trans | -107.7 | 153.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q155 | Q155-A157 VanDerWaalsContact OE1-N 3.17Š|
| 158 | S | 25.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 90% | 0.895 | 70% | 0.698 | S | S | * | * | | | trans | -142.9 | 129.5 | 152.3 | -168.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 159 | Y | 28.5 | Very low | 31.1 | Very low | 212 Ų | 212 | 119.2 Ų | 119.2 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | | | trans | -109.4 | 162 | -170.3 | -179.9 | -101.5 | 0 | 0 | 0 | 111.8 | Q161 | Y159-Q161 WeakPolarHBondContact CE1-O 3.39Š|
| 160 | N | 26.7 | Very low | 30.3 | Very low | 114 Ų | 114 | 125 Ų | 125 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | | | trans | -131.3 | 134.5 | -170.1 | -169.2 | -101.9 | 0 | 0 | 0 | 112 | | |
| 161 | Q | 26.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 119.3 Ų | 119.3 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | | | trans | 67.4 | 172.7 | 160.3 | -94.7 | -175 | 110.4 | 0 | 0 | 116.7 | Y159 | Y159-Q161 WeakPolarHBondContact CE1-O 3.39Š|
| 162 | S | 29.6 | Very low | 30.4 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | | | cis | -159.5 | 175.7 | 8.3 | -135 | 0 | 0 | 0 | 0 | 114.7 | | |
| 163 | S | 26.7 | Very low | 30.6 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | | | trans | 78 | 163.3 | 153.7 | 7.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 164 | Y | 27.2 | Very low | 30.9 | Very low | 219 Ų | 219 | 126.5 Ų | 126.5 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | | | cis | -145.8 | 165.9 | 7.1 | -138.4 | -82 | 0 | 0 | 0 | 113.8 | | |
| 165 | S | 33.5 | Very low | 31.4 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 57% | 0.566 | 69% | 0.689 | S | S | * | * | | | trans | -67 | 168.6 | -168.7 | -62.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 166 | Q | 28.2 | Very low | 31.1 | Very low | 157 Ų | 157 | 123.8 Ų | 123.8 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | | | cis | -161.9 | -77.2 | -15.3 | -99.9 | 168.8 | 7.1 | 0 | 0 | 117.5 | | |
| 167 | P | 50.6 | Low | 30.7 | Very low | 39 Ų | 39 | 127.5 Ų | 127.5 | 25% | 0.253 | 69% | 0.685 | S | S | . | * | | | trans | -135.2 | -141.1 | -147.5 | 39.8 | -15.2 | 0 | 0 | 0 | 114.3 | Q28 N29 Y30 | Q28-P167 HydrophobicContact CB-CG 3.79Å; Q28-P167 HydrophobicContact CG-CG 3.32Å; N29-P167 CarbonylContact C-O 3.57Å; Y30-P167 VanDerWaalsContact CD2-C 3.48Å; Y30-P167 PolarHBondContact N-O 3.25Å |
| 168 | T | 33.3 | Very low | 30.7 | Very low | 45 Ų | 45 | 131.8 Ų | 131.8 | 28% | 0.276 | 69% | 0.691 | S | S | . | * | | | cis | -169.6 | 162.2 | 2.4 | -120.7 | 0 | 0 | 0 | 0 | 111.1 | Q28 N29 Y30 | Q28-T168 HydrophobicContact CB-CG2 3.97Å; Q28-T168 PolarHBondContact OE1-OG1 3.43Å; N29-T168 CarbonylContact C-O 3.48Å; N29-T168 WeakPolarHBondContact CA-O 3.35Å; Y30-T168 VanDerWaalsContact CB-O 3.28Å; Y30-T168 WeakPolarHBondContact CB-O 3.28Å; Y30-T168 PolarHBondContact N-O 2.82Å |
| 169 | S | 32.4 | Very low | 30.8 | Very low | 55 Ų | 55 | 129 Ų | 129 | 39% | 0.385 | 68% | 0.682 | S | S | . | * | | | trans | 61.7 | 139.5 | 162 | 164.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 170 | Y | 26 | Very low | 30.9 | Very low | 232 Ų | 232 | 128.6 Ų | 128.6 | 91% | 0.91 | 69% | 0.688 | S | S | * | * | | | cis | -162.2 | -177.4 | -11.7 | -106.9 | -60.1 | 0 | 0 | 0 | 105.5 | | |
| 171 | G | 30.3 | Very low | 30.9 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | | | cis | 171.8 | 167.8 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 172 | Q | 30.1 | Very low | 30.9 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | trans | 60.5 | 106.4 | 163.6 | -74.1 | -72.4 | 91.7 | 0 | 0 | 124.4 | | |
| 173 | Q | 29.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | | | | 65.2 | 154.9 | 128.3 | -67.2 | -173.7 | 41.5 | 0 | 0 | 125.8 | | |
| 174 | Q | 33.2 | Very low | 30.9 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | | | trans | -84 | 176.2 | 178.8 | -74.1 | -174.8 | -7.4 | 0 | 0 | 112.7 | | |
| 175 | P | 41.8 | Very low | 30.9 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | | | cis | -133.3 | -166.1 | 19 | 43.6 | -24.2 | 0 | 0 | 0 | 114.5 | | |
| 176 | G | 26.8 | Very low | 30.8 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | | | cis | 155.2 | -161.6 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 177 | Y | 28.4 | Very low | 31 | Very low | 209 Ų | 209 | 132.8 Ų | 132.8 | 82% | 0.82 | 70% | 0.703 | S | S | * | * | | | trans | 75.5 | 139.5 | 173.9 | -96.4 | -117.4 | 0 | 0 | 0 | 121 | | |
| 178 | Q | 28.9 | Very low | 30 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | trans | 20 | 151.6 | 149.4 | -58 | 176.1 | -3 | 0 | 0 | 122.1 | | |
| 179 | G | 29.3 | Very low | 29.9 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | cis | 164.5 | -159.9 | 3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 180 | Q | 29.8 | Very low | 29.7 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | | | trans | 87.4 | 170.6 | 172 | -53.8 | -160.4 | 19.5 | 0 | 0 | 120.6 | | |
| 181 | Q | 26.9 | Very low | 30 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -140.9 | 175.8 | -166.2 | -64.8 | -176.2 | -13.9 | 0 | 0 | 112.1 | | |
| 182 | T | 26.9 | Very low | 30.1 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | trans | 87 | 138.1 | 165.6 | -37.2 | 0 | 0 | 0 | 0 | 115 | | |
| 183 | G | 28 | Very low | 30.2 | Very low | 55 Ų | 55 | 152.2 Ų | 152.2 | 57% | 0.567 | 78% | 0.784 | S | S | * | * | | | cis | 173.5 | -176.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 184 | Y | 27.3 | Very low | 30.5 | Very low | 226 Ų | 226 | 150.5 Ų | 150.5 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | | | trans | 69.3 | 159.9 | 178.8 | -54.8 | -81 | 0 | 0 | 0 | 117.2 | | |
| 185 | N | 27.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -166.4 | 176.6 | -39.1 | -165.7 | 7.4 | 0 | 0 | 0 | 109.4 | | |
| 186 | Q | 31.5 | Very low | 30.7 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 61% | 0.607 | 78% | 0.781 | S | S | * | * | | | trans | 82.6 | 98.8 | 161.7 | -72.4 | -75.5 | 86.3 | 0 | 0 | 121.5 | | |
| 187 | Q | 31.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | | | | 58.5 | 127.6 | 121.1 | -77.6 | -171.6 | 24.4 | 0 | 0 | 124.6 | | |
| 188 | Q | 30.2 | Very low | 31.5 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | 66.7 | 150.7 | 147.7 | -57.5 | -179.1 | 72.7 | 0 | 0 | 117.3 | | |
| 189 | G | 30.2 | Very low | 31.8 | Very low | 72 Ų | 72 | 152.5 Ų | 152.5 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | cis | -167.3 | 170.1 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 190 | Y | 30.2 | Very low | 31.9 | Very low | 222 Ų | 222 | 153.4 Ų | 153.4 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | trans | -87.1 | 130.2 | -173.4 | -83.6 | -96.5 | 0 | 0 | 0 | 114.9 | | |
| 191 | Q | 31.7 | Very low | 32.2 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -170.2 | 110.5 | 133.8 | -75.3 | -38.7 | -50.8 | 0 | 0 | 106.9 | | |
| 192 | Q | 33 | Very low | 33.2 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | | 57.6 | 108.3 | 73.2 | -152 | -178.2 | 129.1 | 0 | 0 | 115 | | |
| 193 | Q | 31.5 | Very low | 33.5 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | trans | -142.1 | 173.4 | 168.5 | -73.9 | -165.9 | -3 | 0 | 0 | 111.1 | | |
| 194 | T | 34.8 | Very low | 33.7 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -104.7 | 154.1 | -149.5 | 50.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 195 | P | 36.9 | Very low | 34.5 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 158 | 158.7 | 35.1 | -33.9 | 0 | 0 | 0 | 112.7 | | |
| 196 | P | 42.3 | Very low | 35.3 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 169.5 | -173.1 | 35.4 | -37.1 | 0 | 0 | 0 | 115.8 | | |
| 197 | Q | 39.9 | Very low | 35.4 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -97 | 154.5 | 179.3 | -67.9 | -175.2 | -11.2 | 0 | 0 | 114.6 | | |
| 198 | Q | 33.6 | Very low | 35.5 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | trans | -166.5 | 154.2 | 145.8 | -99.9 | 176.5 | 11.2 | 0 | 0 | 108 | | |
| 199 | Q | 33.8 | Very low | 35.6 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | cis | -157.6 | 157.4 | -43.7 | -148.1 | 171.9 | 12.9 | 0 | 0 | 106.9 | | |
| 200 | A | 31.4 | Very low | 35.4 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | trans | -134.7 | 151.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 201 | P | 37.8 | Very low | 35.5 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | | | trans | -76.7 | 162.8 | -178.5 | 31.5 | -35.7 | 0 | 0 | 0 | 114.1 | | |
| 202 | P | 46.8 | Very low | 35.3 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | | | trans | -89.5 | 168.5 | -162.2 | 35.8 | -38 | 0 | 0 | 0 | 115.9 | | |
| 203 | A | 33.7 | Very low | 35.2 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | | | trans | -114 | 163.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 204 | Y | 31.3 | Very low | 35.3 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | | | trans | -106.4 | 161.1 | 175.3 | -91 | -96.8 | 0 | 0 | 0 | 112 | | |
| 205 | P | 45.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | | | trans | -91.9 | 162.2 | -161.9 | 36.2 | -36.5 | 0 | 0 | 0 | 115.4 | | |
| 206 | P | 45 | Very low | 35.4 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | | | trans | -88.7 | 159.8 | 176 | 36.7 | -35.6 | 0 | 0 | 0 | 113.4 | | |
| 207 | Q | 32.8 | Very low | 34.9 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | trans | -145.7 | 151.9 | 167.1 | -72.3 | -160.7 | 4.1 | 0 | 0 | 113.3 | | |
| 208 | G | 33.1 | Very low | 34.4 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | | | trans | 83 | 110.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 209 | A | 31.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | | | trans | -94.3 | 150.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 210 | G | 27.3 | Very low | 33.9 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -151.1 | 137.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 211 | S | 32.2 | Very low | 33.8 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | -145.6 | 109.8 | -161.8 | 160.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 212 | Y | 28.1 | Very low | 33.5 | Very low | 235 Ų | 235 | 132.4 Ų | 132.4 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | | | trans | -149.9 | 136 | 170.9 | -54.5 | -77.8 | 0 | 0 | 0 | 112 | | |
| 213 | G | 30.8 | Very low | 32.7 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | 100.5 | 105.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 214 | Q | 33 | Very low | 32.6 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -139.8 | 145.8 | 156.9 | -102.3 | -85.3 | -12.6 | 0 | 0 | 105.9 | | |
| 215 | P | 44.1 | Very low | 32.6 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | | -151.9 | 137.2 | 85.2 | 37.1 | -17 | 0 | 0 | 0 | 118.3 | | |
| 216 | A | 28.6 | Very low | 32.6 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | | | | 42.2 | 117.3 | 126.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 217 | A | 31.8 | Very low | 32.6 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | | 67.3 | 117.7 | 119.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 218 | N | 29.9 | Very low | 32.6 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | | -169.7 | 127.2 | 129.4 | -95.9 | -37.1 | 0 | 0 | 0 | 107.8 | | |
| 219 | Q | 30.4 | Very low | 32.5 | Very low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | | 89.7 | 133.5 | 68.3 | -84.1 | -157.8 | 80.4 | 0 | 0 | 115.7 | | |
| 220 | Y | 27.8 | Very low | 32.5 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | 84.1 | 116.8 | 162.3 | -95.4 | -106.8 | 0 | 0 | 0 | 123.4 | | |
| 221 | N | 29.5 | Very low | 32.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | trans | 64 | 123.1 | 133.7 | -89.3 | 2.7 | 0 | 0 | 0 | 125.8 | | |
| 222 | Q | 29.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | | 73.2 | 126.3 | 124.4 | -60.5 | -81.8 | 23.7 | 0 | 0 | 122.1 | | |
| 223 | Q | 31.6 | Very low | 32.5 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | 64.6 | 126.2 | 139.6 | -64.5 | 163.9 | 38.8 | 0 | 0 | 120.4 | | |
| 224 | G | 30.8 | Very low | 33.6 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | 155.4 | 118.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 225 | G | 32.3 | Very low | 33.2 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 156 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 226 | P | 45.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 132 Ų | 132 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 135.5 | -177.6 | 30.2 | -34.4 | 0 | 0 | 0 | 112.3 | | |
| 227 | P | 43.5 | Very low | 32.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 153.9 | 173.8 | 33.8 | -34.4 | 0 | 0 | 0 | 112.2 | | |
| 228 | S | 34.7 | Very low | 32.4 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 149.3 | 164.5 | -178 | 0 | 0 | 0 | 0 | 109.9 | | |
| 229 | Y | 29.7 | Very low | 32.5 | Very low | 218 Ų | 218 | 142.5 Ų | 142.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | -141.4 | 150.9 | 169.4 | -137.6 | -92.2 | 0 | 0 | 0 | 111.3 | | |
| 230 | N | 32.7 | Very low | 32.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -143.5 | 127.9 | -164.2 | 177.9 | 5 | 0 | 0 | 0 | 111.2 | | |
| 231 | Q | 27.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | | | trans | -167.4 | 151.3 | 166.8 | -82.2 | -142.3 | 77.6 | 0 | 0 | 108.5 | | |
| 232 | S | 29.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | cis | -167.2 | 161.7 | -16.8 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 233 | G | 30.3 | Very low | 33.1 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | -83 | -157.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 234 | P | 52.6 | Low | 33.1 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | cis | -138.3 | 179.1 | 8 | 43.5 | -27.1 | 0 | 0 | 0 | 116.1 | | |
| 235 | Y | 26.3 | Very low | 33.2 | Very low | 222 Ų | 222 | 136.1 Ų | 136.1 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | | | | -172.7 | 152.6 | 124.5 | -119.3 | -91.7 | 0 | 0 | 0 | 115.4 | | |
| 236 | N | 31.1 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | | | trans | -58.6 | 169 | 176.9 | -91.8 | -53.6 | 0 | 0 | 0 | 116.9 | | |
| 237 | N | 27.1 | Very low | 32.7 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | cis | -174.6 | 153.2 | -12.3 | -165.9 | -75.7 | 0 | 0 | 0 | 109.2 | | |
| 238 | Y | 29.1 | Very low | 32.1 | Very low | 212 Ų | 212 | 134 Ų | 134 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | -167.8 | 151.8 | 135.7 | -115.9 | -79 | 0 | 0 | 0 | 112.8 | | |
| 239 | R | 30.5 | Very low | 31.8 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -48.9 | 168.9 | -173.1 | -58.3 | 179 | 172.5 | 176.4 | -3.8 | 117.2 | | |
| 240 | Q | 32.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | cis | -159.5 | 147.5 | 28.6 | -163.5 | 154.3 | -11 | 0 | 0 | 116.4 | | |
| 241 | D | 30.6 | Very low | 32.4 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 17.5 | 140.9 | 156.8 | -40.8 | -25.5 | 0 | 0 | 0 | 122 | | |
| 242 | G | 33.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | cis | 167.1 | 164 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 243 | Q | 34.7 | Very low | 32.6 | Very low | 207 Ų | 207 | 134.2 Ų | 134.2 | 97% | 0.967 | 80% | 0.798 | S | S | * | * | | | trans | 71.1 | 136.7 | 175.1 | -50 | -178.3 | 18.1 | 0 | 0 | 118.5 | | |
| 244 | G | 30.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | cis | 170.7 | 134.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 245 | G | 32.5 | Very low | 32.5 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | | | trans | 80.3 | 152.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 246 | G | 35.8 | Very low | 32.6 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | cis | 159.9 | 121.1 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 247 | S | 32.5 | Very low | 32.7 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 97% | 0.972 | 81% | 0.805 | S | S | * | * | | | trans | 63.7 | 161.5 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 248 | G | 29.5 | Very low | 33.6 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | cis | -176.4 | 158.7 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 249 | Y | 29.3 | Very low | 33.5 | Very low | 236 Ų | 236 | 133.6 Ų | 133.6 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | -76.7 | 177.5 | -179.2 | -79.9 | -90.8 | 0 | 0 | 0 | 113.8 | | |
| 250 | P | 44.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | cis | -131.9 | -168.8 | 6.3 | 37.7 | -16.8 | 0 | 0 | 0 | 115.6 | | |
| 251 | G | 30.4 | Very low | 33.5 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | | | trans | -135.6 | -172.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 252 | S | 29.6 | Very low | 33.7 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | | | trans | -152.9 | 143.5 | 176.8 | -71.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 253 | E | 30.4 | Very low | 33.7 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | | | trans | -82.2 | -177.6 | 164.5 | -106.2 | -170.7 | 99.8 | 0 | 0 | 111.5 | | |
| 254 | P | 46.5 | Very low | 33.8 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | cis | -134.5 | -172 | 18.6 | 40.4 | -20.2 | 0 | 0 | 0 | 114.9 | | |
| 255 | G | 34.7 | Very low | 34 | Very low | 55 Ų | 55 | 129.5 Ų | 129.5 | 57% | 0.567 | 83% | 0.827 | S | S | * | * | | | cis | 153.5 | -178.3 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 256 | R | 29.4 | Very low | 34 | Very low | 248 Ų | 248 | 128.6 Ų | 128.6 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | | | trans | 84.4 | 119 | 172.2 | -57.2 | -168.9 | -176.2 | -86.9 | -0.4 | 121.1 | | |
| 257 | Y | 31.8 | Very low | 34.6 | Very low | 227 Ų | 227 | 131.7 Ų | 131.7 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | | | trans | -72.1 | -178.6 | 156.2 | -85.2 | -99.1 | 0 | 0 | 0 | 111.9 | | |
| 258 | P | 46.1 | Very low | 34.7 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | | | cis | -142.6 | 160.8 | 14.2 | 40.8 | -21.4 | 0 | 0 | 0 | 119.9 | | |
| 259 | G | 28.2 | Very low | 35.2 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | | 95.4 | 150.4 | 116.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 260 | G | 30.4 | Very low | 35.8 | Very low | 84 Ų | 84 | 134 Ų | 134 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | | | trans | 121.8 | 124.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 261 | G | 30.6 | Very low | 35.3 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | 74.8 | 97.4 | 141 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 262 | G | 36.5 | Very low | 35.6 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -113.4 | 112.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 263 | D | 33.8 | Very low | 35.9 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | -154.1 | 125 | 172.8 | -133.2 | -36.9 | 0 | 0 | 0 | 114.5 | | |
| 264 | S | 36.4 | Very low | 36.4 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 82% | 0.823 | S | S | * | * | | | trans | 33 | 107.8 | 145.9 | -54.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 265 | R | 35.3 | Very low | 35.8 | Very low | 261 Ų | 261 | 140 Ų | 140 | 99% | 0.985 | 82% | 0.82 | S | S | * | * | | | trans | -178.1 | 148 | 130.3 | -99.4 | 154.8 | -140.2 | -156.2 | 4.8 | 115.3 | | |
| 266 | G | 31.3 | Very low | 36.1 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | | | trans | -162.3 | -175.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 267 | P | 49.4 | Very low | 36.8 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | | | cis | -117.3 | 169.1 | -9.4 | 40.1 | -28.3 | 0 | 0 | 0 | 112.7 | | |
| 268 | G | 35.1 | Very low | 37.3 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | | | trans | -124.6 | 129.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 269 | R | 39 | Very low | 37.4 | Very low | 239 Ų | 239 | 140.3 Ų | 140.3 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | -98.8 | 144.3 | 160.1 | -83.7 | -178.4 | 165.5 | -162.2 | -3 | 108 | | |
| 270 | D | 41.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 94% | 0.936 | 85% | 0.846 | S | S | * | * | | | trans | 167.9 | 157.8 | 142.2 | -81.5 | -22.6 | 0 | 0 | 0 | 107.6 | | |
| 271 | G | 35.5 | Very low | 38.2 | Very low | 50 Ų | 50 | 147.5 Ų | 147.5 | 52% | 0.515 | 84% | 0.838 | S | S | . | * | | | cis | 167.3 | 71.1 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 272 | F | 36.3 | Very low | 38.6 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.904 | 84% | 0.838 | S | S | * | * | | | trans | 66.7 | 173.6 | 179.5 | -45.1 | -79.7 | 0 | 0 | 0 | 112.4 | | |
| 273 | E | 35.9 | Very low | 38.7 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | | | cis | -158.2 | 179.8 | 19.8 | -156.4 | 164.8 | -151.6 | 0 | 0 | 110.6 | | |
| 274 | R | 40.4 | Very low | 39.1 | Very low | 242 Ų | 242 | 155.2 Ų | 155.2 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | | | trans | 71.5 | 125 | -174.6 | -162.9 | -172.9 | -56.5 | -157.1 | 2.3 | 113.7 | | |
| 275 | G | 35.3 | Very low | 39.4 | Very low | 74 Ų | 74 | 154.2 Ų | 154.2 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | | | cis | 112.8 | 122.4 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 276 | G | 39.6 | Very low | 39.6 | Very low | 80 Ų | 80 | 153.3 Ų | 153.3 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | cis | -156.7 | -158.1 | 4.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 277 | M | 44.9 | Very low | 40.1 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 93% | 0.926 | 84% | 0.838 | S | S | * | * | | | trans | -85.1 | 152.6 | -163.2 | -52 | 166.2 | -173.3 | 0 | 0 | 114.9 | | |
| 278 | M | 42.9 | Very low | 39.8 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 93% | 0.931 | 84% | 0.839 | S | S | * | * | | | | -166.3 | 128.8 | 121.9 | 44.6 | 179.2 | 158.2 | 0 | 0 | 113.2 | | |
| 279 | H | 47.7 | Very low | 40 | Very low | 201 Ų | 201 | 155.7 Ų | 155.7 | 93% | 0.931 | 84% | 0.838 | S | S | * | * | | | trans | -92.7 | 125.7 | 168 | -76.1 | -85.3 | 0 | 0 | 0 | 110.8 | | |
| 280 | R | 39.3 | Very low | 39.9 | Very low | 245 Ų | 245 | 149.4 Ų | 149.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | | | trans | -152.2 | 131.1 | 156 | -164.2 | -177.1 | -65.5 | -163.8 | 1.5 | 108.2 | | |
| 281 | G | 35.9 | Very low | 39.8 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | | | cis | 130.7 | 49.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 282 | R | 39.5 | Very low | 40.4 | Very low | 234 Ų | 234 | 149.4 Ų | 149.4 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | | | trans | -166 | 137.9 | 160.7 | -112.8 | 174.6 | -172.4 | -157.2 | -0.3 | 110.3 | | |
| 283 | G | 37.9 | Very low | 40.6 | Very low | 68 Ų | 68 | 151.7 Ų | 151.7 | 70% | 0.701 | 85% | 0.845 | S | S | * | * | | | trans | -92.5 | 153.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 284 | M | 42.8 | Very low | 40.7 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 86% | 0.857 | 84% | 0.843 | S | S | * | * | | | trans | -150.3 | 125.2 | 164.6 | -140.4 | 75.7 | -174.8 | 0 | 0 | 108 | | |
| 285 | G | 41.6 | Very low | 40.8 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | | | trans | -88.4 | 140.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 286 | R | 41.2 | Very low | 40.9 | Very low | 242 Ų | 242 | 145.2 Ų | 145.2 | 91% | 0.913 | 84% | 0.844 | S | S | * | * | | | trans | -159.9 | 138.9 | 152.7 | -95.6 | 156.5 | -146 | -116.6 | 4.7 | 105.8 | | |
| 287 | G | 40 | Very low | 41.2 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | | | cis | 96.1 | 50.2 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 288 | M | 43.5 | Very low | 41.3 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | | | trans | -147 | 134.4 | 163.9 | -89.9 | -63 | -179.1 | 0 | 0 | 108.1 | | |
| 289 | G | 40.6 | Very low | 41.5 | Very low | 77 Ų | 77 | 144 Ų | 144 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | -149 | 126.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 290 | A | 36.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | | | trans | -176.4 | 158.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 291 | G | 37.3 | Very low | 40.8 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 107.2 | 80.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 292 | D | 49.3 | Very low | 41.7 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | | | trans | -58.6 | 137.9 | 154.8 | -45.3 | -109.2 | 0 | 0 | 0 | 111.2 | | |
| 293 | R | 40.3 | Very low | 41.8 | Very low | 254 Ų | 254 | 131.1 Ų | 131.1 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | | | trans | 170.7 | 143.1 | 144.6 | -94.4 | 151 | -164 | -167.1 | 5 | 112.3 | | |
| 294 | G | 38 | Very low | 42.1 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | trans | 83.4 | 108.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 295 | G | 41.5 | Very low | 41.9 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | cis | 90.2 | 65.7 | 4.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 296 | F | 38.3 | Very low | 42.2 | Very low | 211 Ų | 211 | 130.5 Ų | 130.5 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | | | trans | -130.5 | 113.4 | 167.8 | -130.6 | -93.1 | 0 | 0 | 0 | 109 | | |
| 297 | S | 44.9 | Very low | 42.1 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -117 | 119.8 | -172.3 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 298 | K | 47.8 | Very low | 42.7 | Very low | 201 Ų | 201 | 132 Ų | 132 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -166.5 | 156.8 | 162 | -109.4 | 163.7 | -176.2 | -179.7 | 0 | 109.6 | | |
| 299 | P | 47.1 | Very low | 42.7 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | | -136.4 | 163.9 | -104 | 38.5 | -21.6 | 0 | 0 | 0 | 115.6 | | |
| 300 | G | 34.7 | Very low | 42.8 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | 83.1 | 132.6 | 159 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 301 | G | 37.8 | Very low | 43 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -86 | -155.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 302 | P | 55.5 | Low | 43.3 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | cis | -135.6 | 133.6 | 11.3 | 37.5 | -19 | 0 | 0 | 0 | 116.5 | | |
| 303 | M | 41.8 | Very low | 43.5 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 98% | 0.975 | 81% | 0.805 | S | S | * | * | | | trans | -152.9 | 148.9 | 141.4 | -71 | -158.7 | -179.1 | 0 | 0 | 106.1 | | |
| 304 | G | 43.8 | Very low | 43.9 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | cis | 124.4 | 90.4 | 11.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 305 | G | 38.3 | Very low | 44.4 | Very low | 50 Ų | 50 | 134.6 Ų | 134.6 | 52% | 0.515 | 78% | 0.777 | S | S | . | * | | | trans | 150 | 68.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | E307 | G305-E307 PolarHBondContact O-N 3.14Š|
| 306 | D | 46.9 | Very low | 44.7 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | | | trans | 48.1 | 34.8 | 134.1 | -49.2 | -66.2 | 0 | 0 | 0 | 121.6 | R308 | D306-R308 PolarHBondContact O-N 3.22Š|
| 307 | E | 40.8 | Very low | 45.4 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | | | trans | -99.3 | 80.1 | 176.1 | -70.8 | -138.8 | 104.5 | 0 | 0 | 115.7 | G305 | G305-E307 PolarHBondContact O-N 3.14Š|
| 308 | R | 52.6 | Low | 45.9 | Very low | 201 Ų | 201 | 127 Ų | 127 | 76% | 0.758 | 72% | 0.716 | S | S | * | * | | | trans | 63.1 | 56.5 | 144.7 | -48 | -174.3 | -164.2 | 87.1 | 20.8 | 118.2 | D306 | D306-R308 PolarHBondContact O-N 3.22Š|
| 309 | E | 43.1 | Very low | 46.3 | Very low | 192 Ų | 192 | 120.1 Ų | 120.1 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | | | trans | -60.9 | 144.3 | 149.2 | -171 | 164.1 | -171.4 | 0 | 0 | 109.7 | G311 | E309-G311 PolarHBondContact O-N 2.85Å; E309-G311 VanDerWaalsContact O-N 3.15Å |
| 310 | M | 42.9 | Very low | 47 | Very low | 182 Ų | 182 | 120.9 Ų | 120.9 | 90% | 0.897 | 69% | 0.686 | S | S | * | * | | | trans | -67.8 | 117.7 | -171.4 | -77.1 | -157.3 | -59.8 | 0 | 0 | 111.7 | R312 | M310-R312 PolarHBondContact O-N 3.26Š|
| 311 | G | 40.6 | Very low | 48.8 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | | | trans | -54.6 | 101.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | E309 | E309-G311 PolarHBondContact O-N 2.85Å; E309-G311 VanDerWaalsContact O-N 3.15Å |
| 312 | R | 43.6 | Very low | 51 | Low | 166 Ų | 166 | 115.6 Ų | 115.6 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | | | trans | -38.9 | 130.9 | 155.3 | 172.4 | 171.6 | 168.1 | -103.9 | -4.6 | 108 | M310 E314 E315 | M310-R312 PolarHBondContact O-N 3.26Å; R312-E314 PolarHBondContact O-N 2.81Å; R312-E315 IonicContact CZ-OE1 2.83Å; R312-E315 IonicContact CZ-OE2 2.88Å; R312-E315 IonicContact NH1-OE1 3.46Å; R312-E315 PolarHBondContact NH1-OE1 3.32Å; R312-E315 IonicContact NH1-OE2 3.5Å; R312-E315 PolarHBondContact NH1-OE2 2.83Å; R312-E315 IonicContact NH2-OE1 2.62Å; R312-E315 PolarHBondContact NH2-OE1 2.97Å; R312-E315 IonicContact NH2-OE2 2.72Å |
| 313 | P | 52.4 | Low | 52.5 | Low | 119 Ų | 119 | 111.6 Ų | 111.6 | 77% | 0.773 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -52 | 121.2 | -170.9 | 21 | -33.7 | 0 | 0 | 0 | 109.3 | E315 | P313-E315 PolarHBondContact O-N 3.03Š|
| 314 | E | 48.5 | Very low | 54.8 | Low | 136 Ų | 136 | 102.1 Ų | 102.1 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | | | trans | -48.4 | 127.8 | -159.7 | -67.2 | 159.5 | 125.5 | 0 | 0 | 110.9 | R312 Q316 | R312-E314 PolarHBondContact O-N 2.81Å; E314-Q316 PolarHBondContact O-N 2.9Å |
| 315 | E | 48.8 | Very low | 57 | Low | 119 Ų | 119 | 102.1 Ų | 102.1 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | | | trans | -66.2 | 83.3 | 160.6 | -77.8 | 170.9 | 144 | 0 | 0 | 106.1 | R312 P313 D317 | R312-E315 IonicContact CZ-OE1 2.83Å; R312-E315 IonicContact CZ-OE2 2.88Å; R312-E315 IonicContact NH1-OE1 3.46Å; R312-E315 PolarHBondContact NH1-OE1 3.32Å; R312-E315 IonicContact NH1-OE2 3.5Å; R312-E315 PolarHBondContact NH1-OE2 2.83Å; R312-E315 IonicContact NH2-OE1 2.62Å; R312-E315 PolarHBondContact NH2-OE1 2.97Å; R312-E315 IonicContact NH2-OE2 2.72Å; P313-E315 PolarHBondContact O-N 3.03Å; E315-D317 PolarHBondContact O-N 2.9Å |
| 316 | Q | 48.1 | Very low | 59.4 | Low | 112 Ų | 112 | 99.7 Ų | 99.7 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | | | trans | -72.7 | 81.1 | -163.1 | 180 | 162.3 | 102.6 | 0 | 0 | 109.9 | E314 D318 | E314-Q316 PolarHBondContact O-N 2.9Å; Q316-D318 PolarHBondContact O-N 3.46Å |
| 317 | D | 53.1 | Low | 61.4 | Low | 88 Ų | 88 | 93 Ų | 93 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | | | trans | 5.1 | 83.2 | -161.4 | -155 | -19.2 | 0 | 0 | 0 | 114.1 | E315 S319 E320 | E315-D317 PolarHBondContact O-N 2.9Å; D317-S319 PolarHBondContact O-N 2.87Å; D317-S319 WeakPolarHBondContact OD1-CA 3.41Å; D317-S319 WeakPolarHBondContact OD1-CB 3.23Å; D317-S319 PolarHBondContact OD1-N 2.74Å; D317-S319 PolarHBondContact OD1-OG 2.99Å; D317-E320 HydrophobicContact CB-CG 4.33Å; D317-E320 PolarHBondContact O-N 2.8Å |
| 318 | D | 56.3 | Low | 63.4 | Low | 36 Ų | 36 | 87.6 Ų | 87.6 | 19% | 0.193 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -58.8 | -11.1 | 177.2 | -83.3 | -54.5 | 0 | 0 | 0 | 111.7 | Q316 N321 M405 R407 | Q316-D318 PolarHBondContact O-N 3.46Å; D318-N321 PolarHBondContact OD1-ND2 3.05Å; D318-M405 HydrophobicContact CB-CB 4.47Å; D318-M405 WeakPolarHBondContact O-CE 3.18Å; D318-R407 IonicContact OD1-NH1 3.42Å; D318-R407 IonicContact OD2-CZ 2.69Å; D318-R407 IonicContact OD2-NH1 2.68Å; D318-R407 PolarHBondContact OD2-NH1 2.99Å; D318-R407 IonicContact OD2-NH2 3.52Å; D318-R407 PolarHBondContact OD2-NH2 2.82Å; D318-R407 VanDerWaalsContact OD2-NH2 3.14Å |
| 319 | S | 55.3 | Low | 64.8 | Low | 57 Ų | 57 | 78.1 Ų | 78.1 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -75.7 | -24.5 | 173.5 | -30.7 | 0 | 0 | 0 | 0 | 114.4 | D317 N321 | D317-S319 PolarHBondContact O-N 2.87Å; D317-S319 WeakPolarHBondContact OD1-CA 3.41Å; D317-S319 WeakPolarHBondContact OD1-CB 3.23Å; D317-S319 PolarHBondContact OD1-N 2.74Å; D317-S319 PolarHBondContact OD1-OG 2.99Å; S319-N321 PolarHBondContact O-N 3.11Å |
| 320 | E | 63.2 | Low | 66.3 | Low | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -72.8 | -14.1 | 174.9 | -72.6 | -160.7 | 144.4 | 0 | 0 | 112.6 | D317 S322 | D317-E320 HydrophobicContact CB-CG 4.33Å; D317-E320 PolarHBondContact O-N 2.8Å; E320-S322 PolarHBondContact O-N 3.45Å; E320-S322 VanDerWaalsContact O-N 3.09Å |
| 321 | N | 71.8 | Confident | 67.7 | Low | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.059 | 36% | 0.355 | C | S | . | . | | | trans | -80.1 | 92.4 | -172.9 | -67.9 | -40 | 0 | 0 | 0 | 111.7 | D318 S319 T323 M405 R408 | D318-N321 PolarHBondContact OD1-ND2 3.05Å; S319-N321 PolarHBondContact O-N 3.11Å; N321-T323 PolarHBondContact O-N 3.41Å; N321-M405 HydrophobicContact CB-CE 4.33Å; N321-M405 WeakPolarHBondContact O-CE 3.13Å; N321-R408 WeakPolarHBondContact OD1-CD 3.28Å; N321-R408 WeakPolarHBondContact OD1-CG 3.28Å |
| 322 | S | 84 | Confident | 69 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 22% | 0.217 | 35% | 0.352 | C | S | . | . | | | trans | -63.5 | 16.8 | 171.2 | -34.2 | 0 | 0 | 0 | 0 | 115.1 | E320 S377 Y378 P381 | E320-S322 PolarHBondContact O-N 3.45Å; E320-S322 VanDerWaalsContact O-N 3.09Å; S322-S377 CarbonylContact O-C 3.51Å; S322-Y378 PolarHBondContact O-N 3.5Å; S322-P381 WeakPolarHBondContact OG-CB 3.15Å; S322-P381 WeakPolarHBondContact OG-CD 3.44Å |
| 323 | T | 87.5 | Confident | 70.4 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.3 | 179 | -52.1 | 0 | 0 | 0 | 0 | 109.1 | N321 T375 L376 A406 | N321-T323 PolarHBondContact O-N 3.41Å; T323-T375 HydrophobicContact CG2-CG2 4.36Å; T323-L376 CarbonylContact C-O 3.56Å; T323-L376 VanDerWaalsContact CA-O 3.3Å; T323-L376 WeakPolarHBondContact CA-O 3.4Å; T323-L376 WeakPolarHBondContact CG2-O 3.4Å; T323-A406 HydrophobicContact CG2-CB 3.71Å; T323-A406 WeakPolarHBondContact O-CB 3.31Å; T323-A406 PolarHBondContact O-N 2.96Å |
| 324 | I | 89.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.3 | 171.2 | 59.7 | 168 | 0 | 0 | 0 | 110.5 | I326 F342 T375 L376 Y378 A384 A387 V388 V403 S404 M405 | I324-I326 HydrophobicContact CD1-CD1 3.88Å; I324-I326 HydrophobicContact CD1-CG1 3.88Å; I324-I326 HydrophobicContact CG1-CD1 4.22Å; I324-I326 HydrophobicContact CG1-CG1 4.19Å; I324-F342 HydrophobicContact CD1-CD1 3.84Å; I324-F342 HydrophobicContact CD1-CE1 3.66Å; I324-F342 HydrophobicContact CD1-CZ 4.42Å; I324-T375 WeakPolarHBondContact O-CA 3.33Å; I324-L376 HydrophobicContact CD1-CB 4.39Å; I324-L376 HydrophobicContact CD1-CD2 4.18Å; I324-L376 HydrophobicContact CG1-CB 3.92Å; I324-L376 HydrophobicContact CG1-CD2 4.02Å; I324-L376 PolarHBondContact N-O 2.81Å; I324-L376 PolarHBondContact O-N 2.94Å; I324-Y378 HydrophobicContact CD1-CE2 3.87Å; I324-Y378 HydrophobicContact CG1-CE2 4.19Å; I324-A384 HydrophobicContact CG2-CB 4.06Å; I324-A384 VanDerWaalsContact CG2-O 3.31Å; I324-A384 WeakPolarHBondContact CG2-O 3.26Å; I324-A387 HydrophobicContact CD1-CB 4.22Å; I324-V388 HydrophobicContact CG2-CG2 3.86Å; I324-V403 HydrophobicContact CB-CG1 4.1Å; I324-V403 HydrophobicContact CD1-CG1 3.72Å; I324-V403 HydrophobicContact CG1-CG1 4.43Å; I324-S404 CarbonylContact C-O 3.44Å; I324-S404 WeakPolarHBondContact CA-O 3.48Å; I324-M405 HydrophobicContact CG2-SD 4.43Å |
| 325 | Y | 89.8 | Confident | 73.3 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 32% | 0.318 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.6 | 170.2 | -176.7 | -126.5 | 0 | 0 | 0 | 108.2 | T327 Y362 D373 A374 T375 V403 S404 | Y325-T327 HydrophobicContact CD1-CG2 3.75Å; Y325-T327 HydrophobicContact CE1-CG2 3.26Å; Y325-T327 HydrophobicContact CE2-CG2 4.31Å; Y325-T327 HydrophobicContact CG-CG2 4.47Å; Y325-Y362 HydrophobicContact CE2-CD2 4.39Å; Y325-Y362 HydrophobicContact CE2-CE2 4.18Å; Y325-D373 HydrophobicContact CE2-CB 4.07Å; Y325-D373 VanDerWaalsContact OH-CG 3.22Å; Y325-D373 PolarHBondContact OH-OD2 2.86Å; Y325-A374 WeakPolarHBondContact CD2-O 3.45Å; Y325-T375 HydrophobicContact CD2-CG2 3.85Å; Y325-V403 WeakPolarHBondContact O-CA 3.21Å; Y325-S404 PolarHBondContact N-O 3.35Å; Y325-S404 PolarHBondContact O-N 2.96Å |
| 326 | I | 88.7 | Confident | 75 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.2 | -175 | -57.3 | 153.6 | 0 | 0 | 0 | 106.6 | I324 L329 M338 F342 D373 A374 L376 L401 V403 | I324-I326 HydrophobicContact CD1-CD1 3.88Å; I324-I326 HydrophobicContact CD1-CG1 3.88Å; I324-I326 HydrophobicContact CG1-CD1 4.22Å; I324-I326 HydrophobicContact CG1-CG1 4.19Å; I326-L329 HydrophobicContact CB-CD1 4.44Å; I326-L329 HydrophobicContact CG2-CD1 3.94Å; I326-L329 HydrophobicContact CG2-CD2 4.14Å; I326-L329 HydrophobicContact CG2-CG 3.96Å; I326-M338 HydrophobicContact CD1-CE 3.63Å; I326-F342 HydrophobicContact CD1-CD2 4.09Å; I326-F342 HydrophobicContact CD1-CE1 4.09Å; I326-F342 HydrophobicContact CD1-CE2 3.48Å; I326-F342 VanDerWaalsContact CD1-CE2 3.48Å; I326-F342 HydrophobicContact CD1-CZ 3.48Å; I326-F342 VanDerWaalsContact CD1-CZ 3.48Å; I326-F342 HydrophobicContact CG1-CE1 4.34Å; I326-F342 HydrophobicContact CG1-CE2 4.24Å; I326-F342 HydrophobicContact CG1-CZ 3.77Å; I326-F342 HydrophobicContact CG2-CE2 4.49Å; I326-F342 HydrophobicContact CG2-CZ 4.2Å; I326-D373 CarbonylContact O-C 3.55Å; I326-D373 WeakPolarHBondContact O-CA 3.35Å; I326-A374 PolarHBondContact N-O 2.87Å; I326-A374 PolarHBondContact O-N 2.75Å; I326-L376 HydrophobicContact CD1-CB 3.76Å; I326-L376 HydrophobicContact CD1-CD1 4.21Å; I326-L401 HydrophobicContact CG2-CD1 4.34Å; I326-L401 HydrophobicContact CG2-CD2 4.38Å; I326-V403 HydrophobicContact CG1-CG1 4.27Å; I326-V403 HydrophobicContact CG1-CG2 4.36Å; I326-V403 HydrophobicContact CG2-CG2 4.42Å |
| 327 | T | 88.4 | Confident | 76.8 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.9 | -178.4 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | Y325 G372 D373 L401 K402 | Y325-T327 HydrophobicContact CD1-CG2 3.75Å; Y325-T327 HydrophobicContact CE1-CG2 3.26Å; Y325-T327 HydrophobicContact CE2-CG2 4.31Å; Y325-T327 HydrophobicContact CG-CG2 4.47Å; T327-G372 CarbonylContact C-O 3.58Å; T327-G372 WeakPolarHBondContact CA-O 3.35Å; T327-D373 WeakPolarHBondContact CG2-OD1 3.42Å; T327-L401 CarbonylContact O-C 3.53Å; T327-L401 WeakPolarHBondContact O-CA 3.41Å; T327-K402 PolarHBondContact N-O 3.35Å; T327-K402 PolarHBondContact O-N 2.88Å; T327-K402 WeakPolarHBondContact OG1-CB 3.26Å; T327-K402 PolarHBondContact OG1-O 2.76Å |
| 328 | G | 82.7 | Confident | 78.2 | Confident | 29 Ų | 29 | 53 Ų | 53 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | | | trans | 83.7 | 8.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G372 R399 | G328-G372 PolarHBondContact N-O 3.37Å; G328-R399 WeakPolarHBondContact O-CB 3.47Å; G328-R399 WeakPolarHBondContact O-CD 3.35Å |
| 329 | L | 81.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | | | trans | -57.9 | 155.8 | 172.6 | -64.7 | 154.8 | 0 | 0 | 0 | 111.2 | I326 A333 M338 G372 A374 F396 R399 L401 | I326-L329 HydrophobicContact CB-CD1 4.44Å; I326-L329 HydrophobicContact CG2-CD1 3.94Å; I326-L329 HydrophobicContact CG2-CD2 4.14Å; I326-L329 HydrophobicContact CG2-CG 3.96Å; L329-A333 HydrophobicContact CB-CB 3.96Å; L329-A333 HydrophobicContact CD2-CB 3.9Å; L329-A333 HydrophobicContact CG-CB 4.42Å; L329-M338 HydrophobicContact CD1-CE 3.78Å; L329-M338 HydrophobicContact CD1-SD 3.93Å; L329-M338 HydrophobicContact CD2-CE 4.06Å; L329-M338 HydrophobicContact CD2-CG 4.31Å; L329-M338 HydrophobicContact CD2-SD 3.97Å; L329-G372 WeakPolarHBondContact CB-O 3.45Å; L329-G372 PolarHBondContact N-O 3.07Å; L329-G372 VanDerWaalsContact O-CA 3.22Å; L329-G372 WeakPolarHBondContact O-CA 3.21Å; L329-A374 HydrophobicContact CD1-CB 3.59Å; L329-F396 HydrophobicContact CD2-CD1 4.33Å; L329-R399 PolarHBondContact O-NH1 2.79Å; L329-R399 VanDerWaalsContact O-NH1 3.07Å; L329-L401 HydrophobicContact CB-CD2 4.42Å; L329-L401 HydrophobicContact CD2-CD1 4.42Å; L329-L401 HydrophobicContact CD2-CD2 3.63Å; L329-L401 HydrophobicContact CG-CD2 3.86Å |
| 330 | T | 76.3 | Confident | 80.9 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | | | trans | -86.5 | 166.2 | 178.5 | 42.4 | 0 | 0 | 0 | 0 | 112.4 | K332 A333 Q397 R399 | T330-K332 PolarHBondContact O-N 2.81Å; T330-A333 PolarHBondContact O-N 2.79Å; T330-Q397 HydrophobicContact CG2-CB 3.68Å; T330-Q397 PolarHBondContact OG1-OE1 2.91Å; T330-R399 HydrophobicContact CG2-CB 4.15Å; T330-R399 HydrophobicContact CG2-CG 3.9Å |
| 331 | E | 70.8 | Confident | 81.9 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 3.5 | 177.7 | -58.3 | -173.5 | -170.1 | 0 | 0 | 114.3 | K369 P370 | E331-K369 VanDerWaalsContact CD-NZ 3.26Å; E331-K369 IonicContact OE1-NZ 3.59Å; E331-K369 PolarHBondContact OE1-NZ 3.04Å; E331-K369 IonicContact OE2-NZ 2.86Å; E331-K369 PolarHBondContact OE2-NZ 2.98Å; E331-P370 VanDerWaalsContact CA-CG 3.47Å; E331-P370 HydrophobicContact CB-CG 3.8Å; E331-P370 HydrophobicContact CG-CG 4.1Å |
| 332 | K | 69.6 | Low | 82.5 | Confident | 160 Ų | 160 | 51.2 Ų | 51.2 | 70% | 0.696 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 18.8 | 177.2 | -52.6 | 178.8 | -178.8 | -179.7 | 0 | 113.1 | T330 N334 Q397 | T330-K332 PolarHBondContact O-N 2.81Å; K332-N334 PolarHBondContact O-N 2.81Å; K332-N334 PolarHBondContact O-ND2 3.35Å; K332-Q397 PolarHBondContact O-NE2 2.74Å |
| 333 | A | 71.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | | | trans | -72.7 | 108.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | L329 T330 I361 F396 | L329-A333 HydrophobicContact CB-CB 3.96Å; L329-A333 HydrophobicContact CD2-CB 3.9Å; L329-A333 HydrophobicContact CG-CB 4.42Å; T330-A333 PolarHBondContact O-N 2.79Å; A333-I361 VanDerWaalsContact O-CD1 3.29Å; A333-I361 WeakPolarHBondContact O-CD1 3.39Å; A333-F396 HydrophobicContact CB-CE1 3.85Å |
| 334 | N | 82.6 | Confident | 82.2 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | | | trans | -86.9 | 150.1 | 178.9 | -62.7 | -69.9 | 0 | 0 | 0 | 112.1 | K332 E336 E337 M338 | K332-N334 PolarHBondContact O-N 2.81Å; K332-N334 PolarHBondContact O-ND2 3.35Å; N334-E336 PolarHBondContact O-N 2.81Å; N334-E337 HydrophobicContact CB-CB 4.39Å; N334-E337 HydrophobicContact CB-CG 4.11Å; N334-E337 WeakPolarHBondContact CB-OE2 3.31Å; N334-E337 PolarHBondContact N-OE2 3.36Å; N334-E337 PolarHBondContact ND2-OE2 2.05Å; N334-E337 PolarHBondContact O-N 2.81Å; N334-M338 WeakPolarHBondContact O-CB 3.42Å; N334-M338 WeakPolarHBondContact O-CG 3.46Å; N334-M338 PolarHBondContact O-N 2.91Å |
| 335 | I | 81.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.2 | -36.2 | 175.3 | -69.2 | 168.6 | 0 | 0 | 0 | 111.1 | A339 P357 I359 I361 | I335-A339 WeakPolarHBondContact O-CB 3.48Å; I335-A339 PolarHBondContact O-N 3.37Å; I335-P357 HydrophobicContact CG2-CG 3.71Å; I335-I359 HydrophobicContact CG2-CB 4.35Å; I335-I359 WeakPolarHBondContact O-CD1 3.24Å; I335-I361 HydrophobicContact CG1-CD1 3.76Å; I335-I361 HydrophobicContact CG1-CG1 4.21Å |
| 336 | E | 84.3 | Confident | 81.6 | Confident | 153 Ų | 153 | 58.9 Ų | 58.9 | 72% | 0.715 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.9 | -48.6 | 179.8 | -70.8 | 157.4 | -161.8 | 0 | 0 | 112.2 | N334 M338 A339 E340 | N334-E336 PolarHBondContact O-N 2.81Å; E336-M338 VanDerWaalsContact C-N 3.31Å; E336-M338 PolarHBondContact O-N 3.13Å; E336-A339 PolarHBondContact O-N 3.43Å; E336-A339 VanDerWaalsContact O-N 3.09Å; E336-E340 WeakPolarHBondContact O-CB 3.22Å; E336-E340 PolarHBondContact O-N 3.15Å |
| 337 | E | 84.6 | Confident | 81.4 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 174 | -67.1 | 173.7 | 115.9 | 0 | 0 | 111.8 | N334 A339 E340 F341 F396 Q397 | N334-E337 HydrophobicContact CB-CB 4.39Å; N334-E337 HydrophobicContact CB-CG 4.11Å; N334-E337 WeakPolarHBondContact CB-OE2 3.31Å; N334-E337 PolarHBondContact N-OE2 3.36Å; N334-E337 PolarHBondContact ND2-OE2 2.05Å; N334-E337 PolarHBondContact O-N 2.81Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 2.96Å; E337-E340 WeakPolarHBondContact O-CB 2.97Å; E337-E340 PolarHBondContact O-N 3.03Å; E337-F341 WeakPolarHBondContact O-CB 3.2Å; E337-F341 PolarHBondContact O-N 3.39Å; E337-F396 HydrophobicContact CB-CE2 4.43Å; E337-F396 HydrophobicContact CB-CZ 4.06Å; E337-Q397 PolarHBondContact OE1-NE2 2.79Å; E337-Q397 PolarHBondContact OE2-NE2 2.91Å |
| 338 | M | 82.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.9 | -71.7 | -175.8 | 68.2 | 0 | 0 | 110.9 | I326 L329 N334 E336 F341 F342 I359 I361 A374 | I326-M338 HydrophobicContact CD1-CE 3.63Å; L329-M338 HydrophobicContact CD1-CE 3.78Å; L329-M338 HydrophobicContact CD1-SD 3.93Å; L329-M338 HydrophobicContact CD2-CE 4.06Å; L329-M338 HydrophobicContact CD2-CG 4.31Å; L329-M338 HydrophobicContact CD2-SD 3.97Å; N334-M338 WeakPolarHBondContact O-CB 3.42Å; N334-M338 WeakPolarHBondContact O-CG 3.46Å; N334-M338 PolarHBondContact O-N 2.91Å; E336-M338 VanDerWaalsContact C-N 3.31Å; E336-M338 PolarHBondContact O-N 3.13Å; M338-F341 PolarHBondContact O-N 2.96Å; M338-F342 HydrophobicContact CB-CD2 4.43Å; M338-F342 HydrophobicContact CE-CE2 4.26Å; M338-F342 WeakPolarHBondContact O-CB 3.35Å; M338-F342 VanDerWaalsContact O-CD2 3.25Å; M338-F342 WeakPolarHBondContact O-CD2 3.42Å; M338-F342 PolarHBondContact O-N 3.23Å; M338-I359 HydrophobicContact CB-CD1 3.84Å; M338-I359 HydrophobicContact CE-CG2 3.82Å; M338-I359 HydrophobicContact SD-CG2 3.99Å; M338-I361 HydrophobicContact SD-CD1 3.74Å; M338-I361 HydrophobicContact SD-CG1 3.99Å; M338-A374 HydrophobicContact CE-CB 3.77Å; M338-A374 HydrophobicContact SD-CB 4.44Å |
| 339 | A | 84.6 | Confident | 81.4 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I335 E336 E337 F341 K343 I348 P357 I359 | I335-A339 WeakPolarHBondContact O-CB 3.48Å; I335-A339 PolarHBondContact O-N 3.37Å; E336-A339 PolarHBondContact O-N 3.43Å; E336-A339 VanDerWaalsContact O-N 3.09Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 2.96Å; A339-F341 VanDerWaalsContact C-N 3.3Å; A339-F341 PolarHBondContact O-N 2.93Å; A339-K343 WeakPolarHBondContact O-CB 3.27Å; A339-K343 VanDerWaalsContact O-CG 3.31Å; A339-K343 WeakPolarHBondContact O-CG 3.35Å; A339-K343 PolarHBondContact O-N 2.9Å; A339-I348 HydrophobicContact CB-CD1 4.01Å; A339-P357 HydrophobicContact CB-CB 4.07Å; A339-P357 HydrophobicContact CB-CG 3.69Å; A339-I359 HydrophobicContact CB-CD1 3.96Å |
| 340 | E | 85.2 | Confident | 81.4 | Confident | 127 Ų | 127 | 74 Ų | 74 | 59% | 0.593 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.1 | -40.2 | 172.7 | -177.1 | 103.1 | -102.8 | 0 | 0 | 112.1 | E336 E337 K343 | E336-E340 WeakPolarHBondContact O-CB 3.22Å; E336-E340 PolarHBondContact O-N 3.15Å; E337-E340 WeakPolarHBondContact O-CB 2.97Å; E337-E340 PolarHBondContact O-N 3.03Å; E340-K343 WeakPolarHBondContact O-CE 3.49Å; E340-K343 WeakPolarHBondContact O-CG 3.47Å; E340-K343 WeakPolarHBondContact OE1-CE 3.11Å; E340-K343 IonicContact OE1-NZ 3.14Å; E340-K343 PolarHBondContact OE1-NZ 3.33Å |
| 341 | F | 83.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 77 Ų | 77 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.7 | -52.7 | 178.6 | -170.2 | -115.4 | 0 | 0 | 0 | 111.9 | E337 M338 A339 K343 F391 K394 L401 | E337-F341 WeakPolarHBondContact O-CB 3.2Å; E337-F341 PolarHBondContact O-N 3.39Å; M338-F341 PolarHBondContact O-N 2.96Å; A339-F341 VanDerWaalsContact C-N 3.3Å; A339-F341 PolarHBondContact O-N 2.93Å; F341-K343 PolarHBondContact O-N 2.86Å; F341-F391 AromaticContact CD1-CD1 3.76Å; F341-F391 HydrophobicContact CD1-CD1 3.76Å; F341-F391 AromaticContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD2-CE1 4.28Å; F341-F391 HydrophobicContact CE1-CB 4.48Å; F341-F391 AromaticContact CE1-CD1 3.21Å; F341-F391 HydrophobicContact CE1-CD1 3.21Å; F341-F391 AromaticContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CG 4.09Å; F341-F391 HydrophobicContact CE2-CD1 4.33Å; F341-F391 HydrophobicContact CE2-CE1 4.15Å; F341-F391 HydrophobicContact CG-CE1 4.1Å; F341-F391 AromaticContact CZ-CD1 3.55Å; F341-F391 HydrophobicContact CZ-CD1 3.55Å; F341-F391 AromaticContact CZ-CE1 3.82Å; F341-F391 HydrophobicContact CZ-CE1 3.82Å; F341-F391 WeakPolarHBondContact O-CZ 3.44Å; F341-K394 HydrophobicContact CZ-CB 4.36Å; F341-K394 HydrophobicContact CZ-CD 3.92Å; F341-L401 HydrophobicContact CE1-CD1 3.98Å |
| 342 | F | 82.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 84.3 Ų | 84.3 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.6 | -18 | -172.4 | -77.3 | -76.2 | 0 | 0 | 0 | 114.2 | I324 I326 M338 H344 V345 I348 L376 Y378 F391 L401 V403 | I324-F342 HydrophobicContact CD1-CD1 3.84Å; I324-F342 HydrophobicContact CD1-CE1 3.66Å; I324-F342 HydrophobicContact CD1-CZ 4.42Å; I326-F342 HydrophobicContact CD1-CD2 4.09Å; I326-F342 HydrophobicContact CD1-CE1 4.09Å; I326-F342 HydrophobicContact CD1-CE2 3.48Å; I326-F342 VanDerWaalsContact CD1-CE2 3.48Å; I326-F342 HydrophobicContact CD1-CZ 3.48Å; I326-F342 VanDerWaalsContact CD1-CZ 3.48Å; I326-F342 HydrophobicContact CG1-CE1 4.34Å; I326-F342 HydrophobicContact CG1-CE2 4.24Å; I326-F342 HydrophobicContact CG1-CZ 3.77Å; I326-F342 HydrophobicContact CG2-CE2 4.49Å; I326-F342 HydrophobicContact CG2-CZ 4.2Å; M338-F342 HydrophobicContact CB-CD2 4.43Å; M338-F342 HydrophobicContact CE-CE2 4.26Å; M338-F342 WeakPolarHBondContact O-CB 3.35Å; M338-F342 VanDerWaalsContact O-CD2 3.25Å; M338-F342 WeakPolarHBondContact O-CD2 3.42Å; M338-F342 PolarHBondContact O-N 3.23Å; F342-H344 PolarHBondContact O-N 2.76Å; F342-V345 PolarHBondContact O-N 2.77Å; F342-I348 HydrophobicContact CB-CD1 3.87Å; F342-L376 HydrophobicContact CB-CD1 3.47Å; F342-L376 VanDerWaalsContact CB-CD1 3.47Å; F342-L376 HydrophobicContact CD1-CD1 4.33Å; F342-L376 HydrophobicContact CD2-CD1 3.71Å; F342-L376 HydrophobicContact CG-CD1 3.58Å; F342-Y378 WeakPolarHBondContact CB-OH 3.37Å; F342-Y378 WeakPolarHBondContact CD1-OH 3.42Å; F342-Y378 PolarHBondContact O-OH 3.01Å; F342-F391 AromaticContact CD1-CD2 3.42Å; F342-F391 HydrophobicContact CD1-CD2 3.42Å; F342-F391 VanDerWaalsContact CD1-CD2 3.42Å; F342-F391 AromaticContact CD1-CE2 3.59Å; F342-F391 HydrophobicContact CD1-CE2 3.59Å; F342-F391 AromaticContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CZ 4.27Å; F342-F391 HydrophobicContact CE1-CB 3.68Å; F342-F391 HydrophobicContact CE1-CD1 4.33Å; F342-F391 AromaticContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CD2 3.44Å; F342-F391 VanDerWaalsContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CE2 4.1Å; F342-F391 AromaticContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CG-CE2 4.41Å; F342-F391 HydrophobicContact CZ-CB 4.25Å; F342-F391 HydrophobicContact CZ-CG 4.37Å; F342-L401 HydrophobicContact CZ-CD1 4.39Å; F342-V403 HydrophobicContact CE1-CG2 4.44Å; F342-V403 HydrophobicContact CZ-CG2 4.34Å |
| 343 | K | 85.5 | Confident | 81.3 | Confident | 113 Ų | 113 | 88.1 Ų | 88.1 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -62.8 | -22.8 | 173.8 | 72.5 | -170.9 | -177 | -176.8 | 0 | 113.3 | A339 E340 F341 V345 G346 I348 | A339-K343 WeakPolarHBondContact O-CB 3.27Å; A339-K343 VanDerWaalsContact O-CG 3.31Å; A339-K343 WeakPolarHBondContact O-CG 3.35Å; A339-K343 PolarHBondContact O-N 2.9Å; E340-K343 WeakPolarHBondContact O-CE 3.49Å; E340-K343 WeakPolarHBondContact O-CG 3.47Å; E340-K343 WeakPolarHBondContact OE1-CE 3.11Å; E340-K343 IonicContact OE1-NZ 3.14Å; E340-K343 PolarHBondContact OE1-NZ 3.33Å; F341-K343 PolarHBondContact O-N 2.86Å; K343-V345 PolarHBondContact O-N 2.64Å; K343-G346 WeakPolarHBondContact CA-O 3.4Å; K343-G346 PolarHBondContact O-N 2.88Å; K343-G346 VanDerWaalsContact O-N 3.15Å; K343-I348 HydrophobicContact CB-CD1 4.39Å |
| 344 | H | 81.1 | Confident | 81.3 | Confident | 162 Ų | 162 | 93.4 Ų | 93.4 | 75% | 0.75 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -62.3 | -23.1 | -176.9 | -176 | 77.2 | 0 | 0 | 0 | 113.3 | F342 F391 | F342-H344 PolarHBondContact O-N 2.76Å; H344-F391 HydrophobicContact CB-CZ 4.47Å |
| 345 | V | 82 | Confident | 80.7 | Confident | 27 Ų | 27 | 91.2 Ų | 91.2 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -105.7 | -7.1 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | F342 K343 C383 A386 A387 H390 F391 | F342-V345 PolarHBondContact O-N 2.77Å; K343-V345 PolarHBondContact O-N 2.64Å; V345-C383 PolarHBondContact O-SG 3.22Å; V345-A386 HydrophobicContact CG1-CB 3.55Å; V345-A387 HydrophobicContact CB-CB 4.42Å; V345-A387 HydrophobicContact CG1-CB 4.13Å; V345-H390 HydrophobicContact CG2-CB 4.05Å; V345-F391 HydrophobicContact CB-CE2 3.88Å; V345-F391 HydrophobicContact CB-CZ 4.5Å; V345-F391 HydrophobicContact CG2-CD2 4.25Å; V345-F391 HydrophobicContact CG2-CE2 3.35Å; V345-F391 HydrophobicContact CG2-CZ 3.69Å |
| 346 | G | 83.4 | Confident | 80.4 | Confident | 11 Ų | 11 | 92.9 Ų | 92.9 | 11% | 0.113 | 44% | 0.437 | C | S | . | . | S | Bend | trans | 163.8 | 169.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K343 I348 Y378 | K343-G346 WeakPolarHBondContact CA-O 3.4Å; K343-G346 PolarHBondContact O-N 2.88Å; K343-G346 VanDerWaalsContact O-N 3.15Å; G346-I348 PolarHBondContact O-N 3.03Å; G346-Y378 WeakPolarHBondContact O-CE1 3.17Å |
| 347 | P | 84.8 | Confident | 80.3 | Confident | 68 Ų | 68 | 87 Ų | 87 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 117.1 | 176.8 | 25.1 | -32.9 | 0 | 0 | 0 | 111.6 | Y378 E379 | P347-Y378 WeakPolarHBondContact O-CD1 3.22Å; P347-E379 HydrophobicContact CB-CB 4.28Å; P347-E379 HydrophobicContact CG-CB 4.18Å; P347-E379 WeakPolarHBondContact O-CB 3.29Å; P347-E379 PolarHBondContact O-N 2.96Å |
| 348 | I | 87.3 | Confident | 80.2 | Confident | 25 Ų | 25 | 84.3 Ų | 84.3 | 13% | 0.128 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 129.1 | 172.8 | -55.6 | 170.2 | 0 | 0 | 0 | 108 | A339 F342 K343 G346 M350 P357 I359 L376 S377 Y378 | A339-I348 HydrophobicContact CB-CD1 4.01Å; F342-I348 HydrophobicContact CB-CD1 3.87Å; K343-I348 HydrophobicContact CB-CD1 4.39Å; G346-I348 PolarHBondContact O-N 3.03Å; I348-M350 PolarHBondContact O-N 2.8Å; I348-P357 HydrophobicContact CG2-CB 3.85Å; I348-I359 HydrophobicContact CG2-CG1 4.48Å; I348-L376 HydrophobicContact CD1-CD1 4.11Å; I348-L376 HydrophobicContact CG1-CD2 4.38Å; I348-L376 HydrophobicContact CG2-CD2 4.24Å; I348-L376 HydrophobicContact CG2-CG 4.2Å; I348-S377 WeakPolarHBondContact CG2-O 3.36Å; I348-Y378 HydrophobicContact CG1-CD1 4.29Å; I348-Y378 HydrophobicContact CG1-CE1 3.99Å |
| 349 | R | 83.6 | Confident | 80.4 | Confident | 152 Ų | 152 | 84.9 Ų | 84.9 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 120.4 | -176.7 | 176.5 | 175.1 | 167.8 | 169.4 | -3.9 | 110.5 | A358 S377 | R349-A358 HydrophobicContact CB-CB 4.33Å; R349-A358 WeakPolarHBondContact O-CB 3.31Å; R349-A358 PolarHBondContact O-N 3.26Å; R349-S377 WeakPolarHBondContact CB-O 3.38Å; R349-S377 PolarHBondContact N-O 2.84Å |
| 350 | M | 82.9 | Confident | 80.5 | Confident | 133 Ų | 133 | 88.1 Ų | 88.1 | 66% | 0.655 | 42% | 0.42 | S | S | * | . | B | Isolated β-bridge | trans | -83.8 | 133.3 | -179.4 | -156.1 | -176 | -149.1 | 0 | 0 | 111.3 | I348 R352 G355 | I348-M350 PolarHBondContact O-N 2.8Å; M350-R352 PolarHBondContact O-N 3.4Å; M350-G355 WeakPolarHBondContact CE-O 3.26Å |
| 351 | N | 77.4 | Confident | 80.6 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | | | trans | -71.6 | 95.1 | 170.5 | -88.3 | -48.6 | 0 | 0 | 0 | 109.6 | R353 L354 G355 Q356 | N351-R353 PolarHBondContact O-N 3.36Å; N351-L354 PolarHBondContact O-N 2.83Å; N351-G355 PolarHBondContact O-N 3.15Å; N351-Q356 WeakPolarHBondContact CB-O 3.45Å; N351-Q356 PolarHBondContact N-O 3.3Å |
| 352 | R | 70.8 | Confident | 80.6 | Confident | 252 Ų | 252 | 86 Ų | 86 | 95% | 0.951 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 3.2 | -179.9 | -156 | 178.9 | 178.5 | -166.7 | -0.7 | 116 | M350 | M350-R352 PolarHBondContact O-N 3.4Š|
| 353 | R | 66.8 | Low | 80.4 | Confident | 241 Ų | 241 | 90 Ų | 90 | 91% | 0.909 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -15.8 | 172.1 | -69 | -172.2 | 64.5 | -164.8 | -4.3 | 114.7 | N351 | N351-R353 PolarHBondContact O-N 3.36Š|
| 354 | L | 70.1 | Confident | 80 | Confident | 125 Ų | 125 | 87 Ų | 87 | 65% | 0.654 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | -11.3 | -174 | -67.4 | 176.1 | 0 | 0 | 0 | 113.5 | N351 Q356 | N351-L354 PolarHBondContact O-N 2.83Å; L354-Q356 HydrophobicContact CB-CB 4.44Å; L354-Q356 HydrophobicContact CB-CG 4.49Å; L354-Q356 PolarHBondContact O-N 3.11Å; L354-Q356 VanDerWaalsContact O-N 3.12Å |
| 355 | G | 70.3 | Confident | 79.5 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 70.1 | -0.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M350 N351 | M350-G355 WeakPolarHBondContact CE-O 3.26Å; N351-G355 PolarHBondContact O-N 3.15Å |
| 356 | Q | 75.2 | Confident | 78.6 | Confident | 94 Ų | 94 | 94.7 Ų | 94.7 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | | | trans | -87.1 | 147.3 | 179.7 | -71 | 174.7 | -30.9 | 0 | 0 | 111.4 | N351 L354 | N351-Q356 WeakPolarHBondContact CB-O 3.45Å; N351-Q356 PolarHBondContact N-O 3.3Å; L354-Q356 HydrophobicContact CB-CB 4.44Å; L354-Q356 HydrophobicContact CB-CG 4.49Å; L354-Q356 PolarHBondContact O-N 3.11Å; L354-Q356 VanDerWaalsContact O-N 3.12Å |
| 357 | P | 82.1 | Confident | 77.9 | Confident | 29 Ų | 29 | 97.5 Ų | 97.5 | 19% | 0.188 | 48% | 0.477 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 149.2 | 171.5 | 28.1 | -34.6 | 0 | 0 | 0 | 110.5 | I335 A339 I348 I359 | I335-P357 HydrophobicContact CG2-CG 3.71Å; A339-P357 HydrophobicContact CB-CB 4.07Å; A339-P357 HydrophobicContact CB-CG 3.69Å; I348-P357 HydrophobicContact CG2-CB 3.85Å; P357-I359 HydrophobicContact CB-CD1 4.12Å; P357-I359 HydrophobicContact CB-CG1 4.17Å; P357-I359 HydrophobicContact CG-CD1 4.04Å; P357-I359 HydrophobicContact CG-CG1 4.38Å; P357-I359 PolarHBondContact O-N 3.34Å |
| 358 | A | 81.6 | Confident | 77 | Confident | 14 Ų | 14 | 97.1 Ų | 97.1 | 12% | 0.116 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -77.6 | 63.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R349 S377 | R349-A358 HydrophobicContact CB-CB 4.33Å; R349-A358 WeakPolarHBondContact O-CB 3.31Å; R349-A358 PolarHBondContact O-N 3.26Å; A358-S377 PolarHBondContact O-N 2.91Å |
| 359 | I | 86.8 | Confident | 76.2 | Confident | 13 Ų | 13 | 100.6 Ų | 100.6 | 7% | 0.067 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.2 | 176.3 | -55.2 | 175.3 | 0 | 0 | 0 | 107.4 | I335 M338 A339 I348 P357 I361 T375 L376 | I335-I359 HydrophobicContact CG2-CB 4.35Å; I335-I359 WeakPolarHBondContact O-CD1 3.24Å; M338-I359 HydrophobicContact CB-CD1 3.84Å; M338-I359 HydrophobicContact CE-CG2 3.82Å; M338-I359 HydrophobicContact SD-CG2 3.99Å; A339-I359 HydrophobicContact CB-CD1 3.96Å; I348-I359 HydrophobicContact CG2-CG1 4.48Å; P357-I359 HydrophobicContact CB-CD1 4.12Å; P357-I359 HydrophobicContact CB-CG1 4.17Å; P357-I359 HydrophobicContact CG-CD1 4.04Å; P357-I359 HydrophobicContact CG-CG1 4.38Å; P357-I359 PolarHBondContact O-N 3.34Å; I359-I361 HydrophobicContact CG2-CG1 4.08Å; I359-T375 CarbonylContact C-O 3.33Å; I359-T375 WeakPolarHBondContact CA-O 3.3Å; I359-L376 HydrophobicContact CD1-CD1 3.83Å; I359-L376 HydrophobicContact CD1-CG 4.42Å; I359-L376 HydrophobicContact CG1-CB 4.26Å; I359-L376 HydrophobicContact CG1-CD1 3.82Å; I359-L376 HydrophobicContact CG1-CG 3.87Å |
| 360 | N | 86.3 | Confident | 75.6 | Confident | 86 Ų | 86 | 95.3 Ų | 95.3 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 95.3 | 177.6 | -179.9 | 99.6 | 0 | 0 | 0 | 108.8 | Y362 A374 T375 | N360-Y362 WeakPolarHBondContact ND2-CE1 3.43Å; N360-Y362 VanDerWaalsContact ND2-CZ 3.28Å; N360-A374 VanDerWaalsContact O-CA 3.3Å; N360-A374 WeakPolarHBondContact O-CA 3.18Å; N360-T375 PolarHBondContact N-O 3.14Å; N360-T375 PolarHBondContact O-N 3.26Å |
| 361 | I | 86.9 | Confident | 75.2 | Confident | 43 Ų | 43 | 94.4 Ų | 94.4 | 22% | 0.221 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129 | 174.3 | -50.8 | -178.6 | 0 | 0 | 0 | 108.6 | A333 I335 M338 I359 A374 | A333-I361 VanDerWaalsContact O-CD1 3.29Å; A333-I361 WeakPolarHBondContact O-CD1 3.39Å; I335-I361 HydrophobicContact CG1-CD1 3.76Å; I335-I361 HydrophobicContact CG1-CG1 4.21Å; M338-I361 HydrophobicContact SD-CD1 3.74Å; M338-I361 HydrophobicContact SD-CG1 3.99Å; I359-I361 HydrophobicContact CG2-CG1 4.08Å; I361-A374 HydrophobicContact CB-CB 4.4Å; I361-A374 HydrophobicContact CG1-CB 4.14Å |
| 362 | Y | 83.9 | Confident | 75.3 | Confident | 95 Ų | 95 | 90.9 Ų | 90.9 | 37% | 0.373 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 110.6 | 176.8 | -60 | -81.4 | 0 | 0 | 0 | 109.6 | Y325 N360 K371 D373 T375 | Y325-Y362 HydrophobicContact CE2-CD2 4.39Å; Y325-Y362 HydrophobicContact CE2-CE2 4.18Å; N360-Y362 WeakPolarHBondContact ND2-CE1 3.43Å; N360-Y362 VanDerWaalsContact ND2-CZ 3.28Å; Y362-K371 WeakPolarHBondContact O-CB 3.14Å; Y362-K371 PolarHBondContact O-N 3.11Å; Y362-D373 HydrophobicContact CD2-CB 4.1Å; Y362-D373 PolarHBondContact N-O 2.85Å; Y362-T375 HydrophobicContact CE2-CG2 4.09Å; Y362-T375 PolarHBondContact OH-OG1 3.44Å |
| 363 | T | 80.2 | Confident | 76 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 53% | 0.534 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140 | 159.6 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | P370 | T363-P370 HydrophobicContact CG2-CB 4.5Å |
| 364 | D | 76.4 | Confident | 77 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | | | trans | -71.5 | 127.9 | 168 | -178.9 | -89.1 | 0 | 0 | 0 | 108.4 | D366 S367 G368 K369 K371 | D364-D366 PolarHBondContact OD1-N 2.72Å; D364-S367 WeakPolarHBondContact CB-OG 3.37Å; D364-S367 VanDerWaalsContact CG-OG 3.32Å; D364-S367 WeakPolarHBondContact OD1-CB 3.47Å; D364-S367 PolarHBondContact OD1-N 2.86Å; D364-S367 PolarHBondContact OD1-OG 2.68Å; D364-G368 VanDerWaalsContact O-CA 3.27Å; D364-G368 WeakPolarHBondContact O-CA 3.18Å; D364-G368 PolarHBondContact O-N 3.5Å; D364-K369 WeakPolarHBondContact CB-O 3.44Å; D364-K369 PolarHBondContact N-O 3.36Å; D364-K371 HydrophobicContact CB-CB 4.15Å; D364-K371 HydrophobicContact CB-CD 4.48Å; D364-K371 HydrophobicContact CB-CG 4.35Å |
| 365 | K | 69.9 | Low | 77.9 | Confident | 193 Ų | 193 | 63.5 Ų | 63.5 | 84% | 0.839 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -24 | -167.7 | -67.5 | -168.4 | 175 | -168.6 | 0 | 113.5 | | |
| 366 | D | 64.4 | Low | 78.8 | Confident | 159 Ų | 159 | 61.4 Ų | 61.4 | 85% | 0.85 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -31.4 | -170.4 | -57.1 | -89.9 | 0 | 0 | 0 | 110.9 | D364 | D364-D366 PolarHBondContact OD1-N 2.72Š|
| 367 | S | 68.4 | Low | 79.4 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -14.7 | 171.4 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | D364 K369 | D364-S367 WeakPolarHBondContact CB-OG 3.37Å; D364-S367 VanDerWaalsContact CG-OG 3.32Å; D364-S367 WeakPolarHBondContact OD1-CB 3.47Å; D364-S367 PolarHBondContact OD1-N 2.86Å; D364-S367 PolarHBondContact OD1-OG 2.68Å; S367-K369 PolarHBondContact O-N 3.44Å; S367-K369 VanDerWaalsContact O-N 3.11Å; S367-K369 PolarHBondContact OG-N 2.62Å |
| 368 | G | 64.7 | Low | 79.7 | Confident | 59 Ų | 59 | 56.9 Ų | 56.9 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | | | trans | 68.9 | -2.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D364 | D364-G368 VanDerWaalsContact O-CA 3.27Å; D364-G368 WeakPolarHBondContact O-CA 3.18Å; D364-G368 PolarHBondContact O-N 3.5Å |
| 369 | K | 70.6 | Confident | 80 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -81.6 | 144.3 | -177.4 | -70.1 | 179.4 | 159.8 | -115.1 | 0 | 111.1 | E331 D364 S367 K371 | E331-K369 VanDerWaalsContact CD-NZ 3.26Å; E331-K369 IonicContact OE1-NZ 3.59Å; E331-K369 PolarHBondContact OE1-NZ 3.04Å; E331-K369 IonicContact OE2-NZ 2.86Å; E331-K369 PolarHBondContact OE2-NZ 2.98Å; D364-K369 WeakPolarHBondContact CB-O 3.44Å; D364-K369 PolarHBondContact N-O 3.36Å; S367-K369 PolarHBondContact O-N 3.44Å; S367-K369 VanDerWaalsContact O-N 3.11Å; S367-K369 PolarHBondContact OG-N 2.62Å; K369-K371 PolarHBondContact O-N 3.2Å |
| 370 | P | 72.1 | Confident | 80 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 122.6 | 163 | 24 | -35.3 | 0 | 0 | 0 | 110.2 | E331 T363 G372 | E331-P370 VanDerWaalsContact CA-CG 3.47Å; E331-P370 HydrophobicContact CB-CG 3.8Å; E331-P370 HydrophobicContact CG-CG 4.1Å; T363-P370 HydrophobicContact CG2-CB 4.5Å; P370-G372 PolarHBondContact O-N 2.97Å; P370-G372 VanDerWaalsContact O-N 3.11Å |
| 371 | K | 75.4 | Confident | 79.9 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -8.3 | -171.4 | -167.2 | 171 | 173.4 | -63.5 | 0 | 113.6 | Y362 D364 K369 D373 | Y362-K371 WeakPolarHBondContact O-CB 3.14Å; Y362-K371 PolarHBondContact O-N 3.11Å; D364-K371 HydrophobicContact CB-CB 4.15Å; D364-K371 HydrophobicContact CB-CD 4.48Å; D364-K371 HydrophobicContact CB-CG 4.35Å; K369-K371 PolarHBondContact O-N 3.2Å; K371-D373 VanDerWaalsContact C-N 3.3Å; K371-D373 IonicContact NZ-OD2 3.91Å; K371-D373 PolarHBondContact NZ-OD2 2.76Å |
| 372 | G | 79.1 | Confident | 79.9 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.3 | 7.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T327 G328 L329 P370 | T327-G372 CarbonylContact C-O 3.58Å; T327-G372 WeakPolarHBondContact CA-O 3.35Å; G328-G372 PolarHBondContact N-O 3.37Å; L329-G372 WeakPolarHBondContact CB-O 3.45Å; L329-G372 PolarHBondContact N-O 3.07Å; L329-G372 VanDerWaalsContact O-CA 3.22Å; L329-G372 WeakPolarHBondContact O-CA 3.21Å; P370-G372 PolarHBondContact O-N 2.97Å; P370-G372 VanDerWaalsContact O-N 3.11Å |
| 373 | D | 85.4 | Confident | 80 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.7 | -176.4 | -64.8 | -17.5 | 0 | 0 | 0 | 111.4 | Y325 I326 T327 Y362 K371 | Y325-D373 HydrophobicContact CE2-CB 4.07Å; Y325-D373 VanDerWaalsContact OH-CG 3.22Å; Y325-D373 PolarHBondContact OH-OD2 2.86Å; I326-D373 CarbonylContact O-C 3.55Å; I326-D373 WeakPolarHBondContact O-CA 3.35Å; T327-D373 WeakPolarHBondContact CG2-OD1 3.42Å; Y362-D373 HydrophobicContact CD2-CB 4.1Å; Y362-D373 PolarHBondContact N-O 2.85Å; K371-D373 VanDerWaalsContact C-N 3.3Å; K371-D373 IonicContact NZ-OD2 3.91Å; K371-D373 PolarHBondContact NZ-OD2 2.76Å |
| 374 | A | 87.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 154.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y325 I326 L329 M338 N360 I361 | Y325-A374 WeakPolarHBondContact CD2-O 3.45Å; I326-A374 PolarHBondContact N-O 2.87Å; I326-A374 PolarHBondContact O-N 2.75Å; L329-A374 HydrophobicContact CD1-CB 3.59Å; M338-A374 HydrophobicContact CE-CB 3.77Å; M338-A374 HydrophobicContact SD-CB 4.44Å; N360-A374 VanDerWaalsContact O-CA 3.3Å; N360-A374 WeakPolarHBondContact O-CA 3.18Å; I361-A374 HydrophobicContact CB-CB 4.4Å; I361-A374 HydrophobicContact CG1-CB 4.14Å |
| 375 | T | 89.6 | Confident | 80.7 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 16% | 0.16 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140 | 160 | 39.9 | 0 | 0 | 0 | 0 | 110.1 | T323 I324 Y325 I359 N360 Y362 A406 | T323-T375 HydrophobicContact CG2-CG2 4.36Å; I324-T375 WeakPolarHBondContact O-CA 3.33Å; Y325-T375 HydrophobicContact CD2-CG2 3.85Å; I359-T375 CarbonylContact C-O 3.33Å; I359-T375 WeakPolarHBondContact CA-O 3.3Å; N360-T375 PolarHBondContact N-O 3.14Å; N360-T375 PolarHBondContact O-N 3.26Å; Y362-T375 HydrophobicContact CE2-CG2 4.09Å; Y362-T375 PolarHBondContact OH-OG1 3.44Å; T375-A406 HydrophobicContact CG2-CB 4.32Å |
| 376 | L | 88.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.1 | 175.7 | 176.9 | 157.6 | 0 | 0 | 0 | 108.9 | T323 I324 I326 F342 I348 I359 Y378 | T323-L376 CarbonylContact C-O 3.56Å; T323-L376 VanDerWaalsContact CA-O 3.3Å; T323-L376 WeakPolarHBondContact CA-O 3.4Å; T323-L376 WeakPolarHBondContact CG2-O 3.4Å; I324-L376 HydrophobicContact CD1-CB 4.39Å; I324-L376 HydrophobicContact CD1-CD2 4.18Å; I324-L376 HydrophobicContact CG1-CB 3.92Å; I324-L376 HydrophobicContact CG1-CD2 4.02Å; I324-L376 PolarHBondContact N-O 2.81Å; I324-L376 PolarHBondContact O-N 2.94Å; I326-L376 HydrophobicContact CD1-CB 3.76Å; I326-L376 HydrophobicContact CD1-CD1 4.21Å; F342-L376 HydrophobicContact CB-CD1 3.47Å; F342-L376 VanDerWaalsContact CB-CD1 3.47Å; F342-L376 HydrophobicContact CD1-CD1 4.33Å; F342-L376 HydrophobicContact CD2-CD1 3.71Å; F342-L376 HydrophobicContact CG-CD1 3.58Å; I348-L376 HydrophobicContact CD1-CD1 4.11Å; I348-L376 HydrophobicContact CG1-CD2 4.38Å; I348-L376 HydrophobicContact CG2-CD2 4.24Å; I348-L376 HydrophobicContact CG2-CG 4.2Å; I359-L376 HydrophobicContact CD1-CD1 3.83Å; I359-L376 HydrophobicContact CD1-CG 4.42Å; I359-L376 HydrophobicContact CG1-CB 4.26Å; I359-L376 HydrophobicContact CG1-CD1 3.82Å; I359-L376 HydrophobicContact CG1-CG 3.87Å; L376-Y378 HydrophobicContact CD2-CD1 4.42Å; L376-Y378 HydrophobicContact CD2-CD2 3.52Å; L376-Y378 HydrophobicContact CD2-CE1 4.28Å; L376-Y378 HydrophobicContact CD2-CE2 3.36Å; L376-Y378 HydrophobicContact CD2-CG 4.08Å |
| 377 | S | 88 | Confident | 82.7 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.9 | 175.9 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | S322 I348 R349 A358 | S322-S377 CarbonylContact O-C 3.51Å; I348-S377 WeakPolarHBondContact CG2-O 3.36Å; R349-S377 WeakPolarHBondContact CB-O 3.38Å; R349-S377 PolarHBondContact N-O 2.84Å; A358-S377 PolarHBondContact O-N 2.91Å |
| 378 | Y | 88.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 162.2 | 164.7 | -76.2 | -79.8 | 0 | 0 | 0 | 111.2 | S322 I324 F342 G346 P347 I348 L376 E380 C383 A384 A387 | S322-Y378 PolarHBondContact O-N 3.5Å; I324-Y378 HydrophobicContact CD1-CE2 3.87Å; I324-Y378 HydrophobicContact CG1-CE2 4.19Å; F342-Y378 WeakPolarHBondContact CB-OH 3.37Å; F342-Y378 WeakPolarHBondContact CD1-OH 3.42Å; F342-Y378 PolarHBondContact O-OH 3.01Å; G346-Y378 WeakPolarHBondContact O-CE1 3.17Å; P347-Y378 WeakPolarHBondContact O-CD1 3.22Å; I348-Y378 HydrophobicContact CG1-CD1 4.29Å; I348-Y378 HydrophobicContact CG1-CE1 3.99Å; L376-Y378 HydrophobicContact CD2-CD1 4.42Å; L376-Y378 HydrophobicContact CD2-CD2 3.52Å; L376-Y378 HydrophobicContact CD2-CE1 4.28Å; L376-Y378 HydrophobicContact CD2-CE2 3.36Å; L376-Y378 HydrophobicContact CD2-CG 4.08Å; Y378-E380 WeakPolarHBondContact CB-O 3.44Å; Y378-C383 HydrophobicContact CD1-CB 3.92Å; Y378-C383 HydrophobicContact CE1-CB 4.38Å; Y378-C383 HydrophobicContact CG-CB 4.17Å; Y378-A384 HydrophobicContact CD2-CB 3.78Å; Y378-A384 HydrophobicContact CG-CB 4.4Å; Y378-A387 HydrophobicContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact OH-CB 3.25Å; Y378-A387 WeakPolarHBondContact OH-CB 3.41Å |
| 379 | E | 87.6 | Confident | 84.8 | Confident | 138 Ų | 138 | 50.6 Ų | 50.6 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -74.5 | -40.4 | 167.8 | -174.2 | 157.8 | -154.2 | 0 | 0 | 111 | P347 | P347-E379 HydrophobicContact CB-CB 4.28Å; P347-E379 HydrophobicContact CG-CB 4.18Å; P347-E379 WeakPolarHBondContact O-CB 3.29Å; P347-E379 PolarHBondContact O-N 2.96Å |
| 380 | E | 85.8 | Confident | 85.5 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -110.7 | 135.9 | -178.6 | -169.2 | 169.6 | -135.8 | 0 | 0 | 112.5 | Y378 V382 C383 A384 | Y378-E380 WeakPolarHBondContact CB-O 3.44Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 HydrophobicContact CG-CB 4.22Å; E380-V382 HydrophobicContact CG-CG2 4.33Å; E380-V382 PolarHBondContact O-N 2.83Å; E380-C383 HydrophobicContact CB-CB 4.47Å; E380-C383 PolarHBondContact O-N 2.6Å; E380-A384 PolarHBondContact O-N 3.19Å |
| 381 | P | 84.6 | Confident | 86 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 29% | 0.286 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.7 | -27.6 | 179.7 | 26.3 | -33.4 | 0 | 0 | 0 | 113.7 | S322 A384 K385 | S322-P381 WeakPolarHBondContact OG-CB 3.15Å; S322-P381 WeakPolarHBondContact OG-CD 3.44Å; P381-A384 WeakPolarHBondContact O-CB 3.36Å; P381-A384 PolarHBondContact O-N 2.81Å; P381-A384 VanDerWaalsContact O-N 3.15Å; P381-K385 PolarHBondContact O-N 2.81Å |
| 382 | V | 86.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 47.3 Ų | 47.3 | 61% | 0.606 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.7 | -45 | 176.2 | -174 | 0 | 0 | 0 | 0 | 110.4 | E380 A384 K385 A386 | E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 HydrophobicContact CG-CB 4.22Å; E380-V382 HydrophobicContact CG-CG2 4.33Å; E380-V382 PolarHBondContact O-N 2.83Å; V382-A384 VanDerWaalsContact C-N 3.31Å; V382-A384 PolarHBondContact O-N 3.2Å; V382-K385 PolarHBondContact O-N 2.87Å; V382-A386 PolarHBondContact O-N 3.42Å |
| 383 | C | 86.4 | Confident | 86.8 | Confident | 15 Ų | 15 | 48 Ų | 48 | 10% | 0.101 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 172.3 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | V345 Y378 E380 A386 A387 | V345-C383 PolarHBondContact O-SG 3.22Å; Y378-C383 HydrophobicContact CD1-CB 3.92Å; Y378-C383 HydrophobicContact CE1-CB 4.38Å; Y378-C383 HydrophobicContact CG-CB 4.17Å; E380-C383 HydrophobicContact CB-CB 4.47Å; E380-C383 PolarHBondContact O-N 2.6Å; C383-A386 PolarHBondContact O-N 2.76Å; C383-A387 WeakPolarHBondContact O-CB 3.21Å; C383-A387 PolarHBondContact O-N 3.27Å |
| 384 | A | 86.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I324 Y378 E380 P381 V382 A387 V388 M405 | I324-A384 HydrophobicContact CG2-CB 4.06Å; I324-A384 VanDerWaalsContact CG2-O 3.31Å; I324-A384 WeakPolarHBondContact CG2-O 3.26Å; Y378-A384 HydrophobicContact CD2-CB 3.78Å; Y378-A384 HydrophobicContact CG-CB 4.4Å; E380-A384 PolarHBondContact O-N 3.19Å; P381-A384 WeakPolarHBondContact O-CB 3.36Å; P381-A384 PolarHBondContact O-N 2.81Å; P381-A384 VanDerWaalsContact O-N 3.15Å; V382-A384 VanDerWaalsContact C-N 3.31Å; V382-A384 PolarHBondContact O-N 3.2Å; A384-A387 PolarHBondContact O-N 3.02Å; A384-V388 PolarHBondContact O-N 3.15Å; A384-M405 HydrophobicContact CB-CE 4.25Å |
| 385 | K | 86.3 | Confident | 86.4 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 175.6 | -176.2 | 177.8 | 177.2 | 178.2 | 0 | 112 | P381 V382 A387 V388 E389 | P381-K385 PolarHBondContact O-N 2.81Å; V382-K385 PolarHBondContact O-N 2.87Å; K385-A387 PolarHBondContact O-N 3.06Å; K385-V388 WeakPolarHBondContact O-CB 3.43Å; K385-V388 PolarHBondContact O-N 2.69Å; K385-V388 VanDerWaalsContact O-N 3.15Å; K385-E389 PolarHBondContact O-N 2.68Å |
| 386 | A | 88.3 | Confident | 85.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V345 V382 C383 E389 H390 | V345-A386 HydrophobicContact CG1-CB 3.55Å; V382-A386 PolarHBondContact O-N 3.42Å; C383-A386 PolarHBondContact O-N 2.76Å; A386-E389 PolarHBondContact O-N 3.35Å; A386-H390 WeakPolarHBondContact O-CB 2.88Å; A386-H390 PolarHBondContact O-CD2 3.31Å; A386-H390 VanDerWaalsContact O-CD2 3.3Å; A386-H390 PolarHBondContact O-N 2.84Å |
| 387 | A | 88 | Confident | 84.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.6 | -30 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I324 V345 Y378 C383 A384 K385 F391 | I324-A387 HydrophobicContact CD1-CB 4.22Å; V345-A387 HydrophobicContact CB-CB 4.42Å; V345-A387 HydrophobicContact CG1-CB 4.13Å; Y378-A387 HydrophobicContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact OH-CB 3.25Å; Y378-A387 WeakPolarHBondContact OH-CB 3.41Å; C383-A387 WeakPolarHBondContact O-CB 3.21Å; C383-A387 PolarHBondContact O-N 3.27Å; A384-A387 PolarHBondContact O-N 3.02Å; K385-A387 PolarHBondContact O-N 3.06Å; A387-F391 HydrophobicContact CB-CD2 3.93Å; A387-F391 HydrophobicContact CB-CE2 4.23Å; A387-F391 VanDerWaalsContact O-CB 3.28Å; A387-F391 WeakPolarHBondContact O-CB 3.19Å; A387-F391 VanDerWaalsContact O-CD2 3.28Å; A387-F391 WeakPolarHBondContact O-CD2 3.37Å; A387-F391 PolarHBondContact O-N 3.14Å |
| 388 | V | 88.6 | Confident | 84.3 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -53.6 | 168.6 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | I324 A384 K385 H390 F391 D392 V403 M405 | I324-V388 HydrophobicContact CG2-CG2 3.86Å; A384-V388 PolarHBondContact O-N 3.15Å; K385-V388 WeakPolarHBondContact O-CB 3.43Å; K385-V388 PolarHBondContact O-N 2.69Å; K385-V388 VanDerWaalsContact O-N 3.15Å; V388-H390 PolarHBondContact O-N 3.47Å; V388-F391 PolarHBondContact O-N 2.75Å; V388-D392 WeakPolarHBondContact O-CB 3.37Å; V388-D392 PolarHBondContact O-N 2.98Å; V388-V403 HydrophobicContact CG2-CG1 4.18Å; V388-M405 HydrophobicContact CG2-CG 4.18Å; V388-M405 HydrophobicContact CG2-SD 3.53Å; V388-M405 VanDerWaalsContact CG2-SD 3.53Å |
| 389 | E | 87.9 | Confident | 83.8 | Confident | 155 Ų | 155 | 69.1 Ų | 69.1 | 72% | 0.724 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.2 | -36.2 | -176.1 | -168.4 | 172 | 164.6 | 0 | 0 | 113.3 | K385 A386 | K385-E389 PolarHBondContact O-N 2.68Å; A386-E389 PolarHBondContact O-N 3.35Å |
| 390 | H | 84.4 | Confident | 83.6 | Confident | 101 Ų | 101 | 70.5 Ų | 70.5 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -89.5 | -10.2 | -178.7 | -65.8 | -35.4 | 0 | 0 | 0 | 115.2 | V345 A386 V388 K394 | V345-H390 HydrophobicContact CG2-CB 4.05Å; A386-H390 WeakPolarHBondContact O-CB 2.88Å; A386-H390 PolarHBondContact O-CD2 3.31Å; A386-H390 VanDerWaalsContact O-CD2 3.3Å; A386-H390 PolarHBondContact O-N 2.84Å; V388-H390 PolarHBondContact O-N 3.47Å; H390-K394 WeakPolarHBondContact O-CD 3.33Å; H390-K394 WeakPolarHBondContact O-CE 3.35Å; H390-K394 PolarHBondContact O-NZ 2.85Å |
| 391 | F | 83.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -126 | -11.8 | 179.7 | -60.2 | -71.6 | 0 | 0 | 0 | 115.3 | F341 F342 H344 V345 A387 V388 G393 K394 V403 | F341-F391 AromaticContact CD1-CD1 3.76Å; F341-F391 HydrophobicContact CD1-CD1 3.76Å; F341-F391 AromaticContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD2-CE1 4.28Å; F341-F391 HydrophobicContact CE1-CB 4.48Å; F341-F391 AromaticContact CE1-CD1 3.21Å; F341-F391 HydrophobicContact CE1-CD1 3.21Å; F341-F391 AromaticContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CG 4.09Å; F341-F391 HydrophobicContact CE2-CD1 4.33Å; F341-F391 HydrophobicContact CE2-CE1 4.15Å; F341-F391 HydrophobicContact CG-CE1 4.1Å; F341-F391 AromaticContact CZ-CD1 3.55Å; F341-F391 HydrophobicContact CZ-CD1 3.55Å; F341-F391 AromaticContact CZ-CE1 3.82Å; F341-F391 HydrophobicContact CZ-CE1 3.82Å; F341-F391 WeakPolarHBondContact O-CZ 3.44Å; F342-F391 AromaticContact CD1-CD2 3.42Å; F342-F391 HydrophobicContact CD1-CD2 3.42Å; F342-F391 VanDerWaalsContact CD1-CD2 3.42Å; F342-F391 AromaticContact CD1-CE2 3.59Å; F342-F391 HydrophobicContact CD1-CE2 3.59Å; F342-F391 AromaticContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CZ 4.27Å; F342-F391 HydrophobicContact CE1-CB 3.68Å; F342-F391 HydrophobicContact CE1-CD1 4.33Å; F342-F391 AromaticContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CD2 3.44Å; F342-F391 VanDerWaalsContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CE2 4.1Å; F342-F391 AromaticContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CG-CE2 4.41Å; F342-F391 HydrophobicContact CZ-CB 4.25Å; F342-F391 HydrophobicContact CZ-CG 4.37Å; H344-F391 HydrophobicContact CB-CZ 4.47Å; V345-F391 HydrophobicContact CB-CE2 3.88Å; V345-F391 HydrophobicContact CB-CZ 4.5Å; V345-F391 HydrophobicContact CG2-CD2 4.25Å; V345-F391 HydrophobicContact CG2-CE2 3.35Å; V345-F391 HydrophobicContact CG2-CZ 3.69Å; A387-F391 HydrophobicContact CB-CD2 3.93Å; A387-F391 HydrophobicContact CB-CE2 4.23Å; A387-F391 VanDerWaalsContact O-CB 3.28Å; A387-F391 WeakPolarHBondContact O-CB 3.19Å; A387-F391 VanDerWaalsContact O-CD2 3.28Å; A387-F391 WeakPolarHBondContact O-CD2 3.37Å; A387-F391 PolarHBondContact O-N 3.14Å; V388-F391 PolarHBondContact O-N 2.75Å; F391-G393 PolarHBondContact O-N 2.76Å; F391-K394 HydrophobicContact CD1-CD 3.89Å; F391-K394 PolarHBondContact O-N 2.84Å; F391-V403 HydrophobicContact CB-CG2 3.94Å |
| 392 | D | 88.8 | Confident | 83.9 | Confident | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 131.5 | 171.1 | -167.4 | 40 | 0 | 0 | 0 | 110.9 | V388 K394 K402 V403 | V388-D392 WeakPolarHBondContact O-CB 3.37Å; V388-D392 PolarHBondContact O-N 2.98Å; D392-K394 VanDerWaalsContact C-N 3.29Å; D392-K394 PolarHBondContact O-N 3.15Å; D392-K402 WeakPolarHBondContact OD1-CA 3.37Å; D392-K402 WeakPolarHBondContact OD1-CG 3.11Å; D392-V403 HydrophobicContact CB-CB 4.28Å; D392-V403 PolarHBondContact OD1-N 2.81Å |
| 393 | G | 82.6 | Confident | 84.1 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 19% | 0.186 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -8.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | F391 R400 L401 | F391-G393 PolarHBondContact O-N 2.76Å; G393-R400 PolarHBondContact O-NE 2.84Å; G393-R400 VanDerWaalsContact O-NE 3.15Å; G393-R400 PolarHBondContact O-NH2 2.93Å; G393-L401 WeakPolarHBondContact CA-O 3.34Å; G393-L401 PolarHBondContact N-O 2.81Å |
| 394 | K | 84.3 | Confident | 84.1 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | | | trans | -66.3 | 146.9 | 175.2 | -88.7 | -175.7 | 179.3 | 157.5 | 0 | 111.6 | F341 H390 F391 D392 L401 | F341-K394 HydrophobicContact CZ-CB 4.36Å; F341-K394 HydrophobicContact CZ-CD 3.92Å; H390-K394 WeakPolarHBondContact O-CD 3.33Å; H390-K394 WeakPolarHBondContact O-CE 3.35Å; H390-K394 PolarHBondContact O-NZ 2.85Å; F391-K394 HydrophobicContact CD1-CD 3.89Å; F391-K394 PolarHBondContact O-N 2.84Å; D392-K394 VanDerWaalsContact C-N 3.29Å; D392-K394 PolarHBondContact O-N 3.15Å; K394-L401 PolarHBondContact O-N 2.98Å |
| 395 | E | 80.9 | Confident | 84.1 | Confident | 139 Ų | 139 | 69 Ų | 69 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.8 | 175.8 | -68.2 | -172.3 | 125.4 | 0 | 0 | 112.3 | R399 R400 | E395-R399 CarbonylContact C-O 3.56Å; E395-R399 WeakPolarHBondContact CA-O 3.47Å; E395-R400 HydrophobicContact CG-CG 3.62Å |
| 396 | F | 73.1 | Confident | 83.8 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122 | 173.7 | -177.5 | -90.8 | 0 | 0 | 0 | 108.5 | L329 A333 E337 G398 R399 L401 | L329-F396 HydrophobicContact CD2-CD1 4.33Å; A333-F396 HydrophobicContact CB-CE1 3.85Å; E337-F396 HydrophobicContact CB-CE2 4.43Å; E337-F396 HydrophobicContact CB-CZ 4.06Å; F396-G398 PolarHBondContact O-N 3.23Å; F396-R399 PolarHBondContact N-O 3.29Å; F396-R399 PolarHBondContact O-N 2.83Å; F396-L401 HydrophobicContact CB-CD1 3.69Å; F396-L401 HydrophobicContact CB-CD2 3.87Å; F396-L401 HydrophobicContact CB-CG 3.65Å; F396-L401 HydrophobicContact CG-CD1 4.3Å |
| 397 | Q | 72.4 | Confident | 83 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 33.2 | -178.2 | -62.4 | 179.9 | 4.6 | 0 | 0 | 114.2 | T330 K332 E337 | T330-Q397 HydrophobicContact CG2-CB 3.68Å; T330-Q397 PolarHBondContact OG1-OE1 2.91Å; K332-Q397 PolarHBondContact O-NE2 2.74Å; E337-Q397 PolarHBondContact OE1-NE2 2.79Å; E337-Q397 PolarHBondContact OE2-NE2 2.91Å |
| 398 | G | 74.6 | Confident | 81.6 | Confident | 67 Ų | 67 | 78 Ų | 78 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 14.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | F396 | F396-G398 PolarHBondContact O-N 3.23Š|
| 399 | R | 78.5 | Confident | 79.6 | Confident | 116 Ų | 116 | 86.1 Ų | 86.1 | 44% | 0.438 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.6 | 165.7 | -71.4 | -174.8 | 176.5 | 167 | -1.8 | 110.8 | G328 L329 T330 E395 F396 L401 | G328-R399 WeakPolarHBondContact O-CB 3.47Å; G328-R399 WeakPolarHBondContact O-CD 3.35Å; L329-R399 PolarHBondContact O-NH1 2.79Å; L329-R399 VanDerWaalsContact O-NH1 3.07Å; T330-R399 HydrophobicContact CG2-CB 4.15Å; T330-R399 HydrophobicContact CG2-CG 3.9Å; E395-R399 CarbonylContact C-O 3.56Å; E395-R399 WeakPolarHBondContact CA-O 3.47Å; F396-R399 PolarHBondContact N-O 3.29Å; F396-R399 PolarHBondContact O-N 2.83Å; R399-L401 PolarHBondContact O-N 3.03Å |
| 400 | R | 84.9 | Confident | 77.6 | Confident | 167 Ų | 167 | 82 Ų | 82 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 116.4 | 170.1 | -65.9 | -172.9 | 68.9 | -141.7 | -1 | 109.8 | G393 E395 | G393-R400 PolarHBondContact O-NE 2.84Å; G393-R400 VanDerWaalsContact O-NE 3.15Å; G393-R400 PolarHBondContact O-NH2 2.93Å; E395-R400 HydrophobicContact CG-CG 3.62Å |
| 401 | L | 88.8 | Confident | 75.7 | Confident | 2 Ų | 2 | 86.2 Ų | 86.2 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | | | trans | -68.1 | 143.9 | 166.7 | -60.3 | -173.2 | 0 | 0 | 0 | 109.4 | I326 T327 L329 F341 F342 G393 K394 F396 R399 | I326-L401 HydrophobicContact CG2-CD1 4.34Å; I326-L401 HydrophobicContact CG2-CD2 4.38Å; T327-L401 CarbonylContact O-C 3.53Å; T327-L401 WeakPolarHBondContact O-CA 3.41Å; L329-L401 HydrophobicContact CB-CD2 4.42Å; L329-L401 HydrophobicContact CD2-CD1 4.42Å; L329-L401 HydrophobicContact CD2-CD2 3.63Å; L329-L401 HydrophobicContact CG-CD2 3.86Å; F341-L401 HydrophobicContact CE1-CD1 3.98Å; F342-L401 HydrophobicContact CZ-CD1 4.39Å; G393-L401 WeakPolarHBondContact CA-O 3.34Å; G393-L401 PolarHBondContact N-O 2.81Å; K394-L401 PolarHBondContact O-N 2.98Å; F396-L401 HydrophobicContact CB-CD1 3.69Å; F396-L401 HydrophobicContact CB-CD2 3.87Å; F396-L401 HydrophobicContact CB-CG 3.65Å; F396-L401 HydrophobicContact CG-CD1 4.3Å; R399-L401 PolarHBondContact O-N 3.03Å |
| 402 | K | 87.8 | Confident | 74 | Confident | 130 Ų | 130 | 93.6 Ų | 93.6 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.4 | 163.9 | 166.8 | 167.4 | -171.6 | 169.9 | 0 | 109.5 | T327 D392 | T327-K402 PolarHBondContact N-O 3.35Å; T327-K402 PolarHBondContact O-N 2.88Å; T327-K402 WeakPolarHBondContact OG1-CB 3.26Å; T327-K402 PolarHBondContact OG1-O 2.76Å; D392-K402 WeakPolarHBondContact OD1-CA 3.37Å; D392-K402 WeakPolarHBondContact OD1-CG 3.11Å |
| 403 | V | 89.3 | Confident | 72.1 | Confident | 3 Ų | 3 | 93.2 Ų | 93.2 | 2% | 0.018 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139 | -173.5 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | I324 Y325 I326 F342 V388 F391 D392 | I324-V403 HydrophobicContact CB-CG1 4.1Å; I324-V403 HydrophobicContact CD1-CG1 3.72Å; I324-V403 HydrophobicContact CG1-CG1 4.43Å; Y325-V403 WeakPolarHBondContact O-CA 3.21Å; I326-V403 HydrophobicContact CG1-CG1 4.27Å; I326-V403 HydrophobicContact CG1-CG2 4.36Å; I326-V403 HydrophobicContact CG2-CG2 4.42Å; F342-V403 HydrophobicContact CE1-CG2 4.44Å; F342-V403 HydrophobicContact CZ-CG2 4.34Å; V388-V403 HydrophobicContact CG2-CG1 4.18Å; F391-V403 HydrophobicContact CB-CG2 3.94Å; D392-V403 HydrophobicContact CB-CB 4.28Å; D392-V403 PolarHBondContact OD1-N 2.81Å |
| 404 | S | 86.9 | Confident | 70.7 | Confident | 60 Ų | 60 | 94.7 Ų | 94.7 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 156.1 | -177 | -162.3 | 0 | 0 | 0 | 0 | 110.5 | I324 Y325 A406 | I324-S404 CarbonylContact C-O 3.44Å; I324-S404 WeakPolarHBondContact CA-O 3.48Å; Y325-S404 PolarHBondContact N-O 3.35Å; Y325-S404 PolarHBondContact O-N 2.96Å; S404-A406 PolarHBondContact O-N 3.22Å |
| 405 | M | 86.4 | Confident | 69.3 | Low | 33 Ų | 33 | 98 Ų | 98 | 16% | 0.163 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 125 | 170.8 | -60.7 | -54.8 | -77.8 | 0 | 0 | 108.6 | D318 N321 I324 A384 V388 R407 | D318-M405 HydrophobicContact CB-CB 4.47Å; D318-M405 WeakPolarHBondContact O-CE 3.18Å; N321-M405 HydrophobicContact CB-CE 4.33Å; N321-M405 WeakPolarHBondContact O-CE 3.13Å; I324-M405 HydrophobicContact CG2-SD 4.43Å; A384-M405 HydrophobicContact CB-CE 4.25Å; V388-M405 HydrophobicContact CG2-CG 4.18Å; V388-M405 HydrophobicContact CG2-SD 3.53Å; V388-M405 VanDerWaalsContact CG2-SD 3.53Å; M405-R407 PolarHBondContact O-N 3.25Å |
| 406 | A | 80.7 | Confident | 67.9 | Low | 13 Ų | 13 | 101.1 Ų | 101.1 | 11% | 0.107 | 51% | 0.505 | C | S | . | . | | | trans | -72.6 | 103 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | T323 T375 S404 R408 | T323-A406 HydrophobicContact CG2-CB 3.71Å; T323-A406 WeakPolarHBondContact O-CB 3.31Å; T323-A406 PolarHBondContact O-N 2.96Å; T375-A406 HydrophobicContact CG2-CB 4.32Å; S404-A406 PolarHBondContact O-N 3.22Å; A406-R408 VanDerWaalsContact C-N 3.3Å; A406-R408 PolarHBondContact O-N 3.44Å |
| 407 | R | 71.8 | Confident | 66.4 | Low | 172 Ų | 172 | 102.6 Ų | 102.6 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | | | trans | -55.6 | 94.9 | 169.1 | -68.9 | -177.6 | 178 | -69.5 | -10 | 109 | D318 M405 K409 | D318-R407 IonicContact OD1-NH1 3.42Å; D318-R407 IonicContact OD2-CZ 2.69Å; D318-R407 IonicContact OD2-NH1 2.68Å; D318-R407 PolarHBondContact OD2-NH1 2.99Å; D318-R407 IonicContact OD2-NH2 3.52Å; D318-R407 PolarHBondContact OD2-NH2 2.82Å; D318-R407 VanDerWaalsContact OD2-NH2 3.14Å; M405-R407 PolarHBondContact O-N 3.25Å; R407-K409 PolarHBondContact O-N 2.97Å; R407-K409 VanDerWaalsContact O-N 3.14Å |
| 408 | R | 58.2 | Low | 65.1 | Low | 156 Ų | 156 | 100.8 Ų | 100.8 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | | | trans | -50.1 | 123.4 | 167.7 | 60.1 | -170.1 | -86.6 | -156.1 | -2.4 | 106.4 | N321 A406 P410 | N321-R408 WeakPolarHBondContact OD1-CD 3.28Å; N321-R408 WeakPolarHBondContact OD1-CG 3.28Å; A406-R408 VanDerWaalsContact C-N 3.3Å; A406-R408 PolarHBondContact O-N 3.44Å; R408-P410 WeakPolarHBondContact O-CD 3.4Å |
| 409 | K | 46.3 | Very low | 63.8 | Low | 202 Ų | 202 | 103.7 Ų | 103.7 | 88% | 0.878 | 53% | 0.526 | S | S | * | . | | | trans | -62.1 | 111.8 | 173.9 | -127.9 | 160.8 | -174.1 | 164.6 | 0 | 105.5 | R407 M411 | R407-K409 PolarHBondContact O-N 2.97Å; R407-K409 VanDerWaalsContact O-N 3.14Å; K409-M411 PolarHBondContact O-N 3.45Å |
| 410 | P | 45.8 | Very low | 62.4 | Low | 69 Ų | 69 | 100.8 Ų | 100.8 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | | | trans | -60.7 | 134.2 | -177 | 25.4 | -33.2 | 0 | 0 | 0 | 106.7 | R408 M412 | R408-P410 WeakPolarHBondContact O-CD 3.4Å; P410-M412 PolarHBondContact O-N 2.78Å |
| 411 | M | 43.5 | Very low | 60.8 | Low | 189 Ų | 189 | 100.3 Ų | 100.3 | 93% | 0.931 | 53% | 0.529 | S | S | * | . | | | trans | -77.2 | 63.1 | 179 | -167.8 | 167.3 | 169.9 | 0 | 0 | 108.9 | K409 G413 | K409-M411 PolarHBondContact O-N 3.45Å; M411-G413 PolarHBondContact O-N 3.2Å |
| 412 | M | 48.9 | Very low | 58.6 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | | | trans | -68.1 | 70.4 | 175.2 | -102.9 | -67.2 | -141.1 | 0 | 0 | 109.1 | P410 | P410-M412 PolarHBondContact O-N 2.78Š|
| 413 | G | 48 | Very low | 56.6 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 75% | 0.753 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -147.9 | 25.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M411 | M411-G413 PolarHBondContact O-N 3.2Š|
| 414 | G | 53.1 | Low | 54.7 | Low | 49 Ų | 49 | 114.2 Ų | 114.2 | 51% | 0.505 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -170.8 | 129.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 415 | M | 55.7 | Low | 53.2 | Low | 157 Ų | 157 | 120.2 Ų | 120.2 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 61.4 | 46.7 | 159 | -65.8 | 71.5 | 175.1 | 0 | 0 | 119.6 | M555 | M415-M555 HydrophobicContact CB-CE 4.13Å; M415-M555 WeakPolarHBondContact O-CE 3.31Å |
| 416 | R | 51.7 | Low | 51.7 | Low | 206 Ų | 206 | 128.4 Ų | 128.4 | 78% | 0.777 | 67% | 0.673 | S | S | * | * | | | trans | -148.1 | 109.5 | 146.3 | -134 | 173.6 | -175.1 | 177.2 | 1.2 | 112.3 | | |
| 417 | G | 40.3 | Very low | 50.3 | Low | 51 Ų | 51 | 131.3 Ų | 131.3 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | | | trans | 149.6 | 84.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G554 | G417-G554 WeakPolarHBondContact O-CA 3.38Š|
| 418 | G | 45.7 | Very low | 48.8 | Very low | 44 Ų | 44 | 134.6 Ų | 134.6 | 45% | 0.454 | 72% | 0.717 | S | S | . | * | B | Isolated β-bridge | trans | -78.2 | 165.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P420 G553 G554 | G418-P420 VanDerWaalsContact O-CD 3.26Å; G418-P420 WeakPolarHBondContact O-CD 3.35Å; G418-G553 WeakPolarHBondContact O-CA 3.35Å; G418-G553 PolarHBondContact O-N 2.83Å; G418-G554 CarbonylContact C-O 3.56Å |
| 419 | M | 46.8 | Very low | 48.3 | Very low | 129 Ų | 129 | 131 Ų | 131 | 64% | 0.635 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.2 | 166.8 | -86 | 178.4 | -146.5 | 0 | 0 | 109.9 | G553 G554 M555 | M419-G553 VanDerWaalsContact CG-C 3.47Å; M419-G553 VanDerWaalsContact CG-O 3.31Å; M419-G553 WeakPolarHBondContact CG-O 3.45Å; M419-G554 WeakPolarHBondContact CB-O 3.3Å; M419-G554 VanDerWaalsContact CG-O 3.24Å; M419-G554 WeakPolarHBondContact CG-O 3.49Å; M419-G554 PolarHBondContact N-O 2.99Å; M419-M555 WeakPolarHBondContact CE-O 3.44Å |
| 420 | P | 49.9 | Very low | 48 | Very low | 55 Ų | 55 | 124.8 Ų | 124.8 | 36% | 0.357 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | | -77.1 | 152.5 | 125.2 | 1.4 | 19.4 | 0 | 0 | 0 | 109.2 | G418 R552 G553 | G418-P420 VanDerWaalsContact O-CD 3.26Å; G418-P420 WeakPolarHBondContact O-CD 3.35Å; P420-R552 HydrophobicContact CB-CG 4.09Å; P420-R552 HydrophobicContact CG-CG 4.02Å; P420-R552 WeakPolarHBondContact O-CG 3.17Å; P420-G553 VanDerWaalsContact CD-N 3.31Å |
| 421 | M | 50.8 | Low | 48.2 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 145.5 | 168.8 | -58.5 | 178.3 | -176.9 | 0 | 0 | 109.7 | D423 R552 | M421-D423 PolarHBondContact O-N 3.44Å; M421-R552 PolarHBondContact O-NE 2.92Å; M421-R552 PolarHBondContact O-NH2 3.4Å |
| 422 | R | 42.1 | Very low | 48.1 | Very low | 230 Ų | 230 | 130.8 Ų | 130.8 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | | | trans | -80.1 | 100.5 | 161.2 | -178.4 | 172 | 177 | 163.2 | -1.1 | 108.5 | G424 | R422-G424 PolarHBondContact O-N 3.39Š|
| 423 | D | 47.2 | Very low | 48.1 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | trans | -52.8 | 133.9 | 172.3 | -60 | -92.8 | 0 | 0 | 0 | 111.3 | M421 R552 | M421-D423 PolarHBondContact O-N 3.44Å; D423-R552 IonicContact OD2-NH2 2.75Å; D423-R552 PolarHBondContact OD2-NH2 2.9Å |
| 424 | G | 49.7 | Very low | 47.8 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | trans | 113.9 | 54.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | R422 | R422-G424 PolarHBondContact O-N 3.39Š|
| 425 | M | 55.3 | Low | 47.1 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | trans | -153 | 21.8 | 148.5 | -141.9 | 58.6 | 174.3 | 0 | 0 | 117.1 | | |
| 426 | M | 53.6 | Low | 46.3 | Very low | 205 Ų | 205 | 132.9 Ų | 132.9 | 100% | 1.01 | 77% | 0.771 | S | S | * | * | | | trans | -101.8 | 87.8 | 156.5 | -80.7 | -163.6 | 174 | 0 | 0 | 108.6 | | |
| 427 | G | 52.3 | Low | 46.1 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -161.2 | 18.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 428 | R | 41 | Very low | 46 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -153.7 | 130.2 | 167.8 | -167.1 | 161.7 | -69 | -121.8 | -0.8 | 109.9 | | |
| 429 | G | 45.7 | Very low | 45.6 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -65.5 | 147.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 430 | G | 41.8 | Very low | 45.1 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -159.9 | 40.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | M432 | G430-M432 PolarHBondContact O-N 3.28Š|
| 431 | M | 49 | Very low | 44.3 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 93% | 0.926 | 84% | 0.842 | S | S | * | * | | | trans | -65.7 | 101.1 | 164.9 | -87.4 | 77.6 | 165.2 | 0 | 0 | 109.6 | | |
| 432 | M | 42.4 | Very low | 44 | Very low | 196 Ų | 196 | 142 Ų | 142 | 97% | 0.966 | 84% | 0.838 | S | S | * | * | | | trans | -173.4 | 125.6 | 137 | -104.2 | 176.8 | -167.4 | 0 | 0 | 110.1 | G430 | G430-M432 PolarHBondContact O-N 3.28Š|
| 433 | G | 47.7 | Very low | 44.8 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | trans | -168.3 | 22.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 434 | R | 41.4 | Very low | 44.5 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -167.9 | 125.3 | 168.4 | -176.2 | 165.5 | -70.1 | -136.2 | -2.9 | 113.5 | | |
| 435 | G | 40 | Very low | 43.6 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | | | trans | 78.6 | 130.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 436 | G | 37.7 | Very low | 42.6 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | | | trans | 165.1 | 73.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | R438 | G436-R438 PolarHBondContact O-N 3.4Š|
| 437 | D | 48.8 | Very low | 42.2 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 84% | 0.841 | S | S | * | * | | | trans | -74.3 | 115.1 | -174.5 | -53.8 | -107.4 | 0 | 0 | 0 | 113.7 | | |
| 438 | R | 38.3 | Very low | 42 | Very low | 248 Ų | 248 | 143.9 Ų | 143.9 | 94% | 0.936 | 85% | 0.851 | S | S | * | * | | | trans | -175.6 | 114.6 | 154 | -115.4 | 165.2 | -85.5 | -171.5 | -10.2 | 114.9 | G436 | G436-R438 PolarHBondContact O-N 3.4Š|
| 439 | G | 36.1 | Very low | 41.8 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | | | trans | 68.1 | 161.8 | 163 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 440 | G | 36.8 | Very low | 41.8 | Very low | 64 Ų | 64 | 140.6 Ų | 140.6 | 66% | 0.66 | 85% | 0.847 | S | S | * | * | | | cis | 168.1 | 138 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 441 | F | 32.8 | Very low | 41.5 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 96% | 0.961 | 85% | 0.845 | S | S | * | * | | | trans | 63.6 | 133.6 | 171.4 | -60.7 | -91.2 | 0 | 0 | 0 | 119.3 | | |
| 442 | G | 44.4 | Very low | 41.5 | Very low | 67 Ų | 67 | 142.8 Ų | 142.8 | 69% | 0.691 | 84% | 0.843 | S | S | * | * | | | trans | -107.6 | -133.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 443 | P | 59.2 | Low | 41.7 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | | | cis | -139.4 | 165.7 | -21.3 | 40.8 | -25.2 | 0 | 0 | 0 | 114.3 | | |
| 444 | R | 39.8 | Very low | 41 | Very low | 261 Ų | 261 | 136.3 Ų | 136.3 | 99% | 0.985 | 83% | 0.827 | S | S | * | * | | | trans | -173 | 127.5 | 155.3 | -116.2 | 172.4 | 175 | 148.4 | -2.2 | 109.8 | | |
| 445 | G | 32.8 | Very low | 41.2 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | cis | 178 | 144.9 | -11.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 446 | G | 32.3 | Very low | 41.4 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | 153.3 | 123.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 447 | P | 46.1 | Very low | 41.7 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | | | trans | -92.1 | 173.7 | -173.6 | 36.4 | -35.9 | 0 | 0 | 0 | 114.5 | | |
| 448 | R | 48.3 | Very low | 41.4 | Very low | 256 Ų | 256 | 129.5 Ų | 129.5 | 97% | 0.966 | 82% | 0.815 | S | S | * | * | | | trans | -61.3 | 131.7 | -179.9 | -60.9 | 173 | 174.2 | 96.5 | -2.3 | 112 | | |
| 449 | G | 35.9 | Very low | 41.9 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -150.2 | 131.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 450 | M | 45.7 | Very low | 42.6 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -70.6 | 129.3 | -172 | -179.5 | 64.6 | 152.6 | 0 | 0 | 112.4 | R452 | M450-R452 HydrophobicContact CE-CG 4.45Š|
| 451 | G | 35.8 | Very low | 43.5 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -158.7 | 70.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G453 | G451-G453 PolarHBondContact O-N 3.37Š|
| 452 | R | 50.3 | Low | 44.8 | Very low | 237 Ų | 237 | 125.4 Ų | 125.4 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | | | trans | -70.5 | 91.4 | 168.4 | -79.6 | -170.9 | 174.8 | -168.2 | 0.6 | 109.3 | M450 | M450-R452 HydrophobicContact CE-CG 4.45Š|
| 453 | G | 45.6 | Very low | 45.7 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -168.5 | 48.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G451 | G451-G453 PolarHBondContact O-N 3.37Š|
| 454 | G | 33.7 | Very low | 46 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | -130 | 129.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 455 | P | 45.6 | Very low | 47.7 | Very low | 129 Ų | 129 | 120.7 Ų | 120.7 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -69.2 | 142 | -179.9 | 28.8 | -34.1 | 0 | 0 | 0 | 110.8 | G457 | P455-G457 PolarHBondContact O-N 2.77Š|
| 456 | T | 43.8 | Very low | 50.3 | Low | 148 Ų | 148 | 119 Ų | 119 | 91% | 0.908 | 73% | 0.73 | S | S | * | * | | | trans | -71.4 | 79.8 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | G458 | T456-G458 PolarHBondContact O-N 3.06Š|
| 457 | G | 43.5 | Very low | 52.9 | Low | 69 Ų | 69 | 115.8 Ų | 115.8 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | | | trans | -69.5 | 70.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P455 N459 | P455-G457 PolarHBondContact O-N 2.77Å; G457-N459 PolarHBondContact O-N 2.86Å |
| 458 | G | 41.8 | Very low | 55 | Low | 59 Ų | 59 | 113.4 Ų | 113.4 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | | | trans | -57.7 | 134.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T456 M460 | T456-G458 PolarHBondContact O-N 3.06Å; G458-M460 PolarHBondContact O-N 2.78Å |
| 459 | N | 49.2 | Very low | 56.8 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | | | trans | -66.6 | 95.9 | 177.5 | -103.4 | -124.6 | 0 | 0 | 0 | 110 | G457 Q461 | G457-N459 PolarHBondContact O-N 2.86Å; N459-Q461 PolarHBondContact OD1-NE2 2.93Å; N459-Q461 PolarHBondContact OD1-OE1 2.95Å |
| 460 | M | 51.4 | Low | 59.2 | Low | 132 Ų | 132 | 101.6 Ų | 101.6 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | | | trans | -127.5 | 68.7 | 174.6 | -171.1 | 167 | -79.1 | 0 | 0 | 107.8 | G458 Q462 Q477 | G458-M460 PolarHBondContact O-N 2.78Å; M460-Q462 PolarHBondContact O-N 3.49Å; M460-Q477 VanDerWaalsContact CG-OE1 3.32Å; M460-Q477 HydrophobicContact SD-CG 4.29Å; M460-Q477 PolarHBondContact SD-OE1 2.98Å; M460-Q477 VanDerWaalsContact SD-OE1 3.35Å |
| 461 | Q | 55.5 | Low | 60.9 | Low | 139 Ų | 139 | 96.8 Ų | 96.8 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | | | trans | -57.5 | 103.2 | 171.1 | -77.5 | 77.3 | 1.4 | 0 | 0 | 108.7 | N459 R463 | N459-Q461 PolarHBondContact OD1-NE2 2.93Å; N459-Q461 PolarHBondContact OD1-OE1 2.95Å; Q461-R463 PolarHBondContact O-N 3.09Å |
| 462 | Q | 59.8 | Low | 63 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | | | trans | -49.6 | 114.3 | 169.5 | -71.2 | 169.3 | -10.9 | 0 | 0 | 107.9 | M460 E468 | M460-Q462 PolarHBondContact O-N 3.49Å; Q462-E468 PolarHBondContact NE2-OE1 2.94Å |
| 463 | R | 64.1 | Low | 64.6 | Low | 206 Ų | 206 | 92.1 Ų | 92.1 | 78% | 0.777 | 59% | 0.594 | S | S | * | * | | | trans | -72.6 | 133.9 | -179.6 | -155.8 | 176.7 | -167.8 | 164.2 | 4.5 | 107.8 | Q461 G465 D466 | Q461-R463 PolarHBondContact O-N 3.09Å; R463-G465 PolarHBondContact O-N 3Å; R463-D466 WeakPolarHBondContact CB-OD2 3.25Å; R463-D466 WeakPolarHBondContact O-CB 3.36Å; R463-D466 PolarHBondContact O-N 3.38Å |
| 464 | A | 65.4 | Low | 66.5 | Low | 106 Ų | 106 | 89.8 Ų | 89.8 | 88% | 0.876 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.4 | 112.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 465 | G | 74.2 | Confident | 68.8 | Low | 44 Ų | 44 | 89.1 Ų | 89.1 | 45% | 0.454 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 109 | -23.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R463 A480 | R463-G465 PolarHBondContact O-N 3Å; G465-A480 WeakPolarHBondContact O-CA 3.43Å; G465-A480 VanDerWaalsContact O-CB 3.23Å; G465-A480 WeakPolarHBondContact O-CB 3.34Å |
| 466 | D | 88.3 | Confident | 70.9 | Confident | 46 Ų | 46 | 85 Ų | 85 | 25% | 0.246 | 53% | 0.529 | C | S | . | . | | | trans | -66.4 | 146.4 | 173.9 | -67 | -16.6 | 0 | 0 | 0 | 110 | R463 N478 F479 A480 | R463-D466 WeakPolarHBondContact CB-OD2 3.25Å; R463-D466 WeakPolarHBondContact O-CB 3.36Å; R463-D466 PolarHBondContact O-N 3.38Å; D466-N478 WeakPolarHBondContact CA-O 3.48Å; D466-F479 VanDerWaalsContact OD1-CA 3.26Å; D466-F479 WeakPolarHBondContact OD1-CA 3.08Å; D466-A480 PolarHBondContact OD1-N 3.4Å |
| 467 | W | 87.2 | Confident | 73 | Confident | 7 Ų | 7 | 81 Ų | 81 | 3% | 0.027 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.1 | -168.3 | 65.2 | -84 | 0 | 0 | 0 | 112.8 | N478 R482 C485 K492 P493 | W467-N478 HydrophobicContact CD2-CB 4.19Å; W467-N478 HydrophobicContact CZ2-CB 4.33Å; W467-N478 WeakPolarHBondContact CZ2-ND2 3.15Å; W467-N478 PolarHBondContact N-O 3.02Å; W467-N478 PolarHBondContact NE1-ND2 3.15Å; W467-N478 WeakPolarHBondContact O-CA 3.47Å; W467-N478 WeakPolarHBondContact O-CB 3.41Å; W467-N478 PolarHBondContact O-N 2.63Å; W467-R482 WeakPolarHBondContact CZ2-O 3.46Å; W467-R482 PolarHBondContact NE1-O 3.09Å; W467-C485 HydrophobicContact CH2-CB 4.01Å; W467-C485 HydrophobicContact CZ3-CB 4.43Å; W467-K492 HydrophobicContact CD2-CB 4.22Å; W467-K492 HydrophobicContact CD2-CD 4.32Å; W467-K492 HydrophobicContact CD2-CG 3.76Å; W467-K492 HydrophobicContact CE3-CG 4.31Å; W467-K492 HydrophobicContact CG-CD 4.15Å; W467-K492 HydrophobicContact CG-CG 3.98Å; W467-K492 HydrophobicContact CH2-CB 3.95Å; W467-K492 HydrophobicContact CZ2-CB 3.56Å; W467-K492 HydrophobicContact CZ2-CG 4.01Å; W467-K492 HydrophobicContact CZ3-CB 4.42Å; W467-P493 VanDerWaalsContact CE3-CD 3.41Å; W467-P493 HydrophobicContact CE3-CG 4.37Å |
| 468 | E | 89.4 | Confident | 75 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.7 | -173.2 | -43.8 | -163.8 | 137.6 | 0 | 0 | 110.6 | Q462 P470 Q477 | Q462-E468 PolarHBondContact NE2-OE1 2.94Å; E468-P470 WeakPolarHBondContact O-CD 3.03Å; E468-Q477 HydrophobicContact CG-CG 4.12Å; E468-Q477 PolarHBondContact OE1-NE2 3.37Å |
| 469 | C | 87.6 | Confident | 77.2 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 5% | 0.054 | 46% | 0.463 | C | S | . | . | | | trans | -58.8 | 123.3 | -179.2 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | N471 C474 N476 C485 C488 | C469-N471 PolarHBondContact O-N 2.81Å; C469-N471 VanDerWaalsContact O-N 3.13Å; C469-N471 WeakPolarHBondContact SG-CB 3.5Å; C469-N471 PolarHBondContact SG-N 2.79Å; C469-N471 VanDerWaalsContact SG-N 3.39Å; C469-C474 HydrophobicContact CB-CB 4.17Å; C469-N476 PolarHBondContact N-O 3.28Å; C469-C485 HydrophobicContact CB-CB 4.05Å; C469-C488 HydrophobicContact CB-CB 4.47Å; C469-C488 WeakPolarHBondContact CB-SG 3.49Å; C469-C488 WeakPolarHBondContact SG-CB 3.4Å; C469-C488 CovalentContact SG-SG 2.05Å; C469-C488 PolarHBondContact SG-SG 2.76Å |
| 470 | P | 84.4 | Confident | 79 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -72.4 | -4.7 | -177.9 | 29.9 | -36.2 | 0 | 0 | 0 | 113.7 | E468 P472 P493 | E468-P470 WeakPolarHBondContact O-CD 3.03Å; P470-P472 WeakPolarHBondContact O-CD 3.39Å; P470-P493 HydrophobicContact CG-CB 4.42Å; P470-P493 HydrophobicContact CG-CG 4.47Å |
| 471 | N | 82.4 | Confident | 80.5 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | | | trans | -76.2 | 117.1 | 170.5 | -176.2 | -24.1 | 0 | 0 | 0 | 109.4 | C469 G473 C474 G475 C488 | C469-N471 PolarHBondContact O-N 2.81Å; C469-N471 VanDerWaalsContact O-N 3.13Å; C469-N471 WeakPolarHBondContact SG-CB 3.5Å; C469-N471 PolarHBondContact SG-N 2.79Å; C469-N471 VanDerWaalsContact SG-N 3.39Å; N471-G473 PolarHBondContact O-N 2.96Å; N471-G473 VanDerWaalsContact O-N 3.15Å; N471-G473 PolarHBondContact OD1-N 3.14Å; N471-C474 HydrophobicContact CB-CB 4.32Å; N471-C474 PolarHBondContact O-N 2.88Å; N471-G475 PolarHBondContact O-N 2.85Å; N471-C488 HydrophobicContact CB-CB 4.36Å |
| 472 | P | 80.5 | Confident | 81.9 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 86% | 0.864 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18 | -177.5 | 27.5 | -35.6 | 0 | 0 | 0 | 113.6 | P470 C474 | P470-P472 WeakPolarHBondContact O-CD 3.39Å; P472-C474 PolarHBondContact O-N 3.12Å |
| 473 | G | 83.1 | Confident | 83.1 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 77% | 0.773 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N471 | N471-G473 PolarHBondContact O-N 2.96Å; N471-G473 VanDerWaalsContact O-N 3.15Å; N471-G473 PolarHBondContact OD1-N 3.14Å |
| 474 | C | 86 | Confident | 84.4 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -57 | -175.9 | 174.2 | 0 | 0 | 0 | 0 | 114.1 | C469 N471 P472 N476 Q487 C488 | C469-C474 HydrophobicContact CB-CB 4.17Å; N471-C474 HydrophobicContact CB-CB 4.32Å; N471-C474 PolarHBondContact O-N 2.88Å; P472-C474 PolarHBondContact O-N 3.12Å; C474-N476 PolarHBondContact O-N 2.9Å; C474-N476 WeakPolarHBondContact SG-CB 2.99Å; C474-Q487 PolarHBondContact SG-OE1 3.3Å; C474-C488 HydrophobicContact CB-CB 3.58Å; C474-C488 WeakPolarHBondContact SG-CB 3.01Å |
| 475 | G | 82.1 | Confident | 85.7 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | | | trans | 58.6 | 7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | N471 Q477 | N471-G475 PolarHBondContact O-N 2.85Å; G475-Q477 PolarHBondContact O-N 2.9Å |
| 476 | N | 88.5 | Confident | 86.5 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | | | trans | -68.7 | 123.6 | -174.8 | 170.6 | 99.3 | 0 | 0 | 0 | 111.8 | C469 C474 Q487 | C469-N476 PolarHBondContact N-O 3.28Å; C474-N476 PolarHBondContact O-N 2.9Å; C474-N476 WeakPolarHBondContact SG-CB 2.99Å; N476-Q487 HydrophobicContact CB-CB 4.12Å |
| 477 | Q | 89.2 | Confident | 86.4 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 134.3 | 166.2 | -63.8 | -162.1 | -18.6 | 0 | 0 | 111.4 | M460 E468 G475 | M460-Q477 VanDerWaalsContact CG-OE1 3.32Å; M460-Q477 HydrophobicContact SD-CG 4.29Å; M460-Q477 PolarHBondContact SD-OE1 2.98Å; M460-Q477 VanDerWaalsContact SD-OE1 3.35Å; E468-Q477 HydrophobicContact CG-CG 4.12Å; E468-Q477 PolarHBondContact OE1-NE2 3.37Å; G475-Q477 PolarHBondContact O-N 2.9Å |
| 478 | N | 85.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 139.5 | -169.2 | -166.2 | 49.8 | 0 | 0 | 0 | 110.5 | D466 W467 R482 E484 C485 N486 | D466-N478 WeakPolarHBondContact CA-O 3.48Å; W467-N478 HydrophobicContact CD2-CB 4.19Å; W467-N478 HydrophobicContact CZ2-CB 4.33Å; W467-N478 WeakPolarHBondContact CZ2-ND2 3.15Å; W467-N478 PolarHBondContact N-O 3.02Å; W467-N478 PolarHBondContact NE1-ND2 3.15Å; W467-N478 WeakPolarHBondContact O-CA 3.47Å; W467-N478 WeakPolarHBondContact O-CB 3.41Å; W467-N478 PolarHBondContact O-N 2.63Å; N478-R482 VanDerWaalsContact ND2-CB 3.31Å; N478-R482 WeakPolarHBondContact ND2-CB 3.25Å; N478-R482 WeakPolarHBondContact OD1-CD 3.49Å; N478-R482 PolarHBondContact OD1-NE 3.05Å; N478-E484 PolarHBondContact ND2-O 3.32Å; N478-C485 WeakPolarHBondContact ND2-CA 3.33Å; N478-N486 PolarHBondContact OD1-N 3.19Å; N478-N486 VanDerWaalsContact OD1-N 3.15Å |
| 479 | F | 87.3 | Confident | 86.5 | Confident | 116 Ų | 116 | 74.9 Ų | 74.9 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | | | trans | -65.6 | 147.3 | -170.8 | -60.8 | -66.7 | 0 | 0 | 0 | 113.4 | D466 W481 R482 | D466-F479 VanDerWaalsContact OD1-CA 3.26Å; D466-F479 WeakPolarHBondContact OD1-CA 3.08Å; F479-W481 HydrophobicContact CB-CG 4.44Å; F479-W481 VanDerWaalsContact CB-NE1 3.26Å; F479-W481 HydrophobicContact CD2-CZ2 4.4Å; F479-W481 AromaticContact CG-NE1 3.88Å; F479-W481 PolarHBondContact O-N 3.36Å; F479-R482 HydrophobicContact CB-CG 4.28Å; F479-R482 WeakPolarHBondContact O-CB 3.44Å; F479-R482 PolarHBondContact O-N 2.88Å |
| 480 | A | 86.6 | Confident | 86.4 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -40.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G465 D466 R482 K492 | G465-A480 WeakPolarHBondContact O-CA 3.43Å; G465-A480 VanDerWaalsContact O-CB 3.23Å; G465-A480 WeakPolarHBondContact O-CB 3.34Å; D466-A480 PolarHBondContact OD1-N 3.4Å; A480-R482 VanDerWaalsContact C-N 3.26Å; A480-R482 PolarHBondContact O-N 3.32Å; A480-K492 PolarHBondContact O-NZ 2.87Å |
| 481 | W | 83.8 | Confident | 86.4 | Confident | 194 Ų | 194 | 76.6 Ų | 76.6 | 74% | 0.735 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -6 | -177.8 | 60.3 | -93.2 | 0 | 0 | 0 | 114.7 | F479 | F479-W481 HydrophobicContact CB-CG 4.44Å; F479-W481 VanDerWaalsContact CB-NE1 3.26Å; F479-W481 HydrophobicContact CD2-CZ2 4.4Å; F479-W481 AromaticContact CG-NE1 3.88Å; F479-W481 PolarHBondContact O-N 3.36Å |
| 482 | R | 83.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | | | trans | -96.7 | 124.8 | -175 | -61.6 | -175.2 | 66.6 | 149 | 0.3 | 110.6 | W467 N478 F479 A480 N486 | W467-R482 WeakPolarHBondContact CZ2-O 3.46Å; W467-R482 PolarHBondContact NE1-O 3.09Å; N478-R482 VanDerWaalsContact ND2-CB 3.31Å; N478-R482 WeakPolarHBondContact ND2-CB 3.25Å; N478-R482 WeakPolarHBondContact OD1-CD 3.49Å; N478-R482 PolarHBondContact OD1-NE 3.05Å; F479-R482 HydrophobicContact CB-CG 4.28Å; F479-R482 WeakPolarHBondContact O-CB 3.44Å; F479-R482 PolarHBondContact O-N 2.88Å; A480-R482 VanDerWaalsContact C-N 3.26Å; A480-R482 PolarHBondContact O-N 3.32Å; R482-N486 VanDerWaalsContact CZ-OD1 3.22Å; R482-N486 PolarHBondContact NH1-OD1 3.37Å; R482-N486 PolarHBondContact NH2-OD1 3.41Å |
| 483 | M | 86.7 | Confident | 86.6 | Confident | 140 Ų | 140 | 70.6 Ų | 70.6 | 69% | 0.69 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -83.4 | -16.5 | 175.5 | -59.6 | -56.9 | -67.1 | 0 | 0 | 113.3 | P491 K492 | M483-P491 CarbonylContact O-C 2.96Å; M483-P491 WeakPolarHBondContact O-CA 3.48Å; M483-K492 PolarHBondContact O-N 3.15Å |
| 484 | E | 90.9 | Very high | 85.9 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 145.9 | 174.6 | -65.9 | 171.5 | -163.3 | 0 | 0 | 110.4 | N478 K489 | N478-E484 PolarHBondContact ND2-O 3.32Å; E484-K489 WeakPolarHBondContact OE2-CD 3.22Å; E484-K489 IonicContact OE2-NZ 2.55Å; E484-K489 PolarHBondContact OE2-NZ 3.48Å |
| 485 | C | 92.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | | | trans | -63.4 | 137.5 | 171.1 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | W467 C469 N478 Q487 C488 K489 A490 | W467-C485 HydrophobicContact CH2-CB 4.01Å; W467-C485 HydrophobicContact CZ3-CB 4.43Å; C469-C485 HydrophobicContact CB-CB 4.05Å; N478-C485 WeakPolarHBondContact ND2-CA 3.33Å; C485-Q487 PolarHBondContact O-N 3.35Å; C485-Q487 PolarHBondContact SG-N 2.85Å; C485-C488 HydrophobicContact CB-CB 4.45Å; C485-C488 WeakPolarHBondContact CB-SG 3.49Å; C485-C488 PolarHBondContact SG-N 2.98Å; C485-C488 VanDerWaalsContact SG-N 3.44Å; C485-C488 PolarHBondContact SG-SG 3.26Å; C485-K489 PolarHBondContact O-N 2.72Å; C485-A490 PolarHBondContact N-O 3.24Å |
| 486 | N | 90.9 | Very high | 83.5 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.6 | 175.1 | -167.6 | 57.5 | 0 | 0 | 0 | 114.7 | N478 R482 | N478-N486 PolarHBondContact OD1-N 3.19Å; N478-N486 VanDerWaalsContact OD1-N 3.15Å; R482-N486 VanDerWaalsContact CZ-OD1 3.22Å; R482-N486 PolarHBondContact NH1-OD1 3.37Å; R482-N486 PolarHBondContact NH2-OD1 3.41Å |
| 487 | Q | 86.6 | Confident | 81.6 | Confident | 128 Ų | 128 | 82.8 Ų | 82.8 | 60% | 0.598 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -58.3 | -175.9 | -171 | -173.9 | 31.2 | 0 | 0 | 112.8 | C474 N476 C485 K489 | C474-Q487 PolarHBondContact SG-OE1 3.3Å; N476-Q487 HydrophobicContact CB-CB 4.12Å; C485-Q487 PolarHBondContact O-N 3.35Å; C485-Q487 PolarHBondContact SG-N 2.85Å; Q487-K489 PolarHBondContact O-N 2.78Å |
| 488 | C | 89.4 | Confident | 79.7 | Confident | 34 Ų | 34 | 84 Ų | 84 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.1 | -173.7 | 66.6 | 0 | 0 | 0 | 0 | 114.9 | C469 N471 C474 C485 A490 | C469-C488 HydrophobicContact CB-CB 4.47Å; C469-C488 WeakPolarHBondContact CB-SG 3.49Å; C469-C488 WeakPolarHBondContact SG-CB 3.4Å; C469-C488 CovalentContact SG-SG 2.05Å; C469-C488 PolarHBondContact SG-SG 2.76Å; N471-C488 HydrophobicContact CB-CB 4.36Å; C474-C488 HydrophobicContact CB-CB 3.58Å; C474-C488 WeakPolarHBondContact SG-CB 3.01Å; C485-C488 HydrophobicContact CB-CB 4.45Å; C485-C488 WeakPolarHBondContact CB-SG 3.49Å; C485-C488 PolarHBondContact SG-N 2.98Å; C485-C488 VanDerWaalsContact SG-N 3.44Å; C485-C488 PolarHBondContact SG-SG 3.26Å; C488-A490 PolarHBondContact O-N 3.47Å; C488-A490 VanDerWaalsContact SG-CB 3.5Å |
| 489 | K | 88.3 | Confident | 77.6 | Confident | 127 Ų | 127 | 86.5 Ų | 86.5 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | | | trans | 55.8 | -2.7 | -171 | -68.3 | -57 | -158.1 | 164.3 | 0 | 117.6 | E484 C485 Q487 | E484-K489 WeakPolarHBondContact OE2-CD 3.22Å; E484-K489 IonicContact OE2-NZ 2.55Å; E484-K489 PolarHBondContact OE2-NZ 3.48Å; C485-K489 PolarHBondContact O-N 2.72Å; Q487-K489 PolarHBondContact O-N 2.78Å |
| 490 | A | 86.4 | Confident | 75.7 | Confident | 22 Ų | 22 | 86 Ų | 86 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 146.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C485 C488 | C485-A490 PolarHBondContact N-O 3.24Å; C488-A490 PolarHBondContact O-N 3.47Å; C488-A490 VanDerWaalsContact SG-CB 3.5Å |
| 491 | P | 84.9 | Confident | 73.7 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | B | Isolated β-bridge | trans | -66.2 | 160.7 | 177.9 | 28.9 | -36 | 0 | 0 | 0 | 112.1 | M483 | M483-P491 CarbonylContact O-C 2.96Å; M483-P491 WeakPolarHBondContact O-CA 3.48Å |
| 492 | K | 86.4 | Confident | 71.6 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 20% | 0.2 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 127.4 | 170.7 | -173.5 | 169.1 | -169.9 | 174.7 | 0 | 109.5 | W467 A480 M483 E494 | W467-K492 HydrophobicContact CD2-CB 4.22Å; W467-K492 HydrophobicContact CD2-CD 4.32Å; W467-K492 HydrophobicContact CD2-CG 3.76Å; W467-K492 HydrophobicContact CE3-CG 4.31Å; W467-K492 HydrophobicContact CG-CD 4.15Å; W467-K492 HydrophobicContact CG-CG 3.98Å; W467-K492 HydrophobicContact CH2-CB 3.95Å; W467-K492 HydrophobicContact CZ2-CB 3.56Å; W467-K492 HydrophobicContact CZ2-CG 4.01Å; W467-K492 HydrophobicContact CZ3-CB 4.42Å; A480-K492 PolarHBondContact O-NZ 2.87Å; M483-K492 PolarHBondContact O-N 3.15Å; K492-E494 PolarHBondContact O-N 3.5Å |
| 493 | P | 79.1 | Confident | 69.9 | Low | 37 Ų | 37 | 93 Ų | 93 | 24% | 0.24 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -67 | 122.2 | 179.2 | 27.2 | -33.8 | 0 | 0 | 0 | 110.4 | W467 P470 G495 L496 | W467-P493 VanDerWaalsContact CE3-CD 3.41Å; W467-P493 HydrophobicContact CE3-CG 4.37Å; P470-P493 HydrophobicContact CG-CB 4.42Å; P470-P493 HydrophobicContact CG-CG 4.47Å; P493-G495 PolarHBondContact O-N 2.92Å; P493-L496 HydrophobicContact CG-CD1 3.79Å; P493-L496 HydrophobicContact CG-CG 4.19Å |
| 494 | E | 69.7 | Low | 68.2 | Low | 203 Ų | 203 | 92.7 Ų | 92.7 | 95% | 0.949 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 112.9 | 176.9 | -63.1 | 176.8 | 169.4 | 0 | 0 | 109 | K492 | K492-E494 PolarHBondContact O-N 3.5Š|
| 495 | G | 60.9 | Low | 66.1 | Low | 67 Ų | 67 | 91.7 Ų | 91.7 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.8 | -31.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P493 G497 | P493-G495 PolarHBondContact O-N 2.92Å; G495-G497 PolarHBondContact O-N 3.19Å; G495-G497 VanDerWaalsContact O-N 3.14Å |
| 496 | L | 56.6 | Low | 63.5 | Low | 125 Ų | 125 | 95.2 Ų | 95.2 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -76.4 | 5.6 | 176.7 | -63.5 | -174 | 0 | 0 | 0 | 114 | P493 | P493-L496 HydrophobicContact CG-CD1 3.79Å; P493-L496 HydrophobicContact CG-CG 4.19Å |
| 497 | G | 47.7 | Very low | 61.5 | Low | 57 Ų | 57 | 100.1 Ų | 100.1 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -124.4 | 57 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G495 G499 | G495-G497 PolarHBondContact O-N 3.19Å; G495-G497 VanDerWaalsContact O-N 3.14Å; G497-G499 VanDerWaalsContact C-N 3.27Å; G497-G499 PolarHBondContact O-N 3.22Å |
| 498 | G | 48.9 | Very low | 59.4 | Low | 90 Ų | 90 | 105.5 Ų | 105.5 | 93% | 0.928 | 65% | 0.653 | S | S | * | * | | | trans | -68 | 72.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 499 | G | 43.3 | Very low | 56.9 | Low | 55 Ų | 55 | 106.9 Ų | 106.9 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -130.7 | 141.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G497 | G497-G499 VanDerWaalsContact C-N 3.27Å; G497-G499 PolarHBondContact O-N 3.22Å |
| 500 | P | 45.7 | Very low | 54.6 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 149.1 | -174.3 | 27.5 | -35.1 | 0 | 0 | 0 | 111.7 | F502 | P500-F502 PolarHBondContact O-N 2.95Š|
| 501 | P | 46.1 | Very low | 52.4 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122.4 | 174.7 | 27.8 | -33.7 | 0 | 0 | 0 | 109.7 | P503 | P501-P503 WeakPolarHBondContact O-CD 3.43Š|
| 502 | F | 39.5 | Very low | 50.2 | Low | 197 Ų | 197 | 114.2 Ų | 114.2 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.2 | 168.1 | -71.7 | -87.3 | 0 | 0 | 0 | 108.5 | P500 | P500-F502 PolarHBondContact O-N 2.95Š|
| 503 | P | 47.1 | Very low | 48.5 | Very low | 107 Ų | 107 | 118.5 Ų | 118.5 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 153.4 | 174.6 | 30.1 | -34.7 | 0 | 0 | 0 | 110.7 | P501 G505 | P501-P503 WeakPolarHBondContact O-CD 3.43Å; P503-G505 PolarHBondContact O-N 3.43Å |
| 504 | P | 52.3 | Low | 46.6 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -74.4 | 122.6 | -179.3 | 30 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 505 | G | 47 | Very low | 45.4 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | 84.5 | 131.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | P503 | P503-G505 PolarHBondContact O-N 3.43Š|
| 506 | G | 36.2 | Very low | 44.4 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 157.5 | 108.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 507 | E | 50.1 | Low | 43.5 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -72.5 | 130.2 | -175.1 | -62.8 | 141.6 | 112.1 | 0 | 0 | 112.3 | | |
| 508 | R | 40.8 | Very low | 43.2 | Very low | 241 Ų | 241 | 125.3 Ų | 125.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -157.1 | 99.4 | 164.3 | -151.8 | 172.9 | -61 | 169.6 | 4.4 | 109.2 | | |
| 509 | G | 37.6 | Very low | 43 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | | | cis | 89.4 | 100.1 | 15.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 510 | R | 41.1 | Very low | 42.6 | Very low | 246 Ų | 246 | 133.7 Ų | 133.7 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | | | trans | 54.4 | 110.8 | 164.6 | -163.2 | 174.9 | -65.8 | -175.5 | 0.6 | 116.7 | | |
| 511 | G | 40.2 | Very low | 42.6 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | -58.7 | 138.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 512 | G | 37.9 | Very low | 42.3 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | trans | -154.8 | 158.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 513 | P | 51.3 | Low | 42.4 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | -119.3 | 154.1 | -138.9 | 38.9 | -29.5 | 0 | 0 | 0 | 116.2 | | |
| 514 | G | 37.8 | Very low | 41.7 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | | | trans | 102.4 | 170.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 515 | M | 45.1 | Very low | 41 | Very low | 172 Ų | 172 | 136 Ų | 136 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | | | trans | 65.5 | 145 | -173.9 | -51.2 | -61 | -177 | 0 | 0 | 116.1 | | |
| 516 | R | 39.8 | Very low | 41.1 | Very low | 232 Ų | 232 | 138.9 Ų | 138.9 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | | | cis | -178.7 | 121.5 | -38.4 | 161.7 | 177.8 | -75.4 | -172.9 | -3.2 | 105.2 | | |
| 517 | G | 38.5 | Very low | 41.1 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | | | trans | -174.7 | 68.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 518 | G | 41.6 | Very low | 40.4 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -89.9 | 148.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 519 | R | 43.1 | Very low | 40.2 | Very low | 258 Ų | 258 | 129.3 Ų | 129.3 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | | | trans | -166.7 | 131.6 | 157.9 | -95.7 | 178.9 | -75.7 | -163.1 | -2 | 104.8 | | |
| 520 | G | 35.2 | Very low | 39.9 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | | | cis | 171.8 | 171.4 | -5.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 521 | M | 46.3 | Very low | 39.4 | Very low | 171 Ų | 171 | 121.8 Ų | 121.8 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | 72.4 | 77.5 | 166.3 | -70 | 71.3 | -157.2 | 0 | 0 | 118.6 | | |
| 522 | D | 40.4 | Very low | 39.9 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | | 39.2 | 114 | 114.1 | -58.5 | -81.3 | 0 | 0 | 0 | 121.1 | | |
| 523 | R | 40.3 | Very low | 39.5 | Very low | 245 Ų | 245 | 124.7 Ų | 124.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | | | trans | -154.9 | 99.9 | 137.3 | -167.7 | 159.9 | -68.3 | 141.1 | 4.3 | 113.3 | | |
| 524 | G | 33.3 | Very low | 38.7 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 39.5 | 124.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 525 | G | 36.9 | Very low | 39 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | -73.9 | -163.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 526 | P | 49 | Very low | 38.7 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | | | | -138.2 | -175.7 | 54.3 | 41.5 | -25.3 | 0 | 0 | 0 | 116.8 | | |
| 527 | A | 37.6 | Very low | 38.5 | Very low | 96 Ų | 96 | 112.3 Ų | 112.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -58.9 | 165.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | V529 | A527-V529 HydrophobicContact CB-CG2 4.2Š|
| 528 | G | 35.2 | Very low | 38.3 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | 176.3 | 66.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 529 | V | 35.9 | Very low | 38 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | | 63.1 | 109.4 | 84 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | A527 | A527-V529 HydrophobicContact CB-CG2 4.2Š|
| 530 | G | 31.7 | Very low | 37.4 | Very low | 78 Ų | 78 | 118 Ų | 118 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | 132.3 | 104.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 531 | G | 31.1 | Very low | 37.3 | Very low | 75 Ų | 75 | 118.8 Ų | 118.8 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -103.7 | -154.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 532 | P | 49.3 | Very low | 37 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | | | cis | -124.2 | -179 | -9 | 41.1 | -27.2 | 0 | 0 | 0 | 112.4 | | |
| 533 | G | 30 | Very low | 36.8 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | | | trans | 145.3 | 112.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 534 | G | 33.7 | Very low | 36.5 | Very low | 75 Ų | 75 | 112.9 Ų | 112.9 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -98.1 | -165.5 | 142 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 535 | P | 45.5 | Very low | 36.8 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 90% | 0.903 | 83% | 0.83 | S | S | * | * | | | cis | -128.8 | 172 | 10.3 | 41.2 | -26.7 | 0 | 0 | 0 | 115.1 | | |
| 536 | G | 38.4 | Very low | 36.9 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | 124.8 | 136.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 537 | G | 36.2 | Very low | 36.2 | Very low | 54 Ų | 54 | 120.6 Ų | 120.6 | 56% | 0.557 | 83% | 0.83 | S | S | * | * | | | cis | 162 | 72 | -5.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 538 | F | 33.9 | Very low | 36 | Very low | 205 Ų | 205 | 119.8 Ų | 119.8 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | | | trans | 66.9 | 150.1 | 169.7 | -29.8 | -80.8 | 0 | 0 | 0 | 114.2 | | |
| 539 | R | 35.1 | Very low | 36.2 | Very low | 242 Ų | 242 | 125.8 Ų | 125.8 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | | | cis | -151.5 | 150.3 | 16.1 | -62.5 | 174 | 178.2 | -167 | -1.9 | 111.6 | | |
| 540 | G | 30.7 | Very low | 36.4 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | | | trans | 81.2 | 165.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 541 | G | 32.4 | Very low | 36.6 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | 100.5 | 79.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 542 | W | 41.3 | Very low | 36.9 | Very low | 275 Ų | 275 | 132.2 Ų | 132.2 | 100% | 1.042 | 82% | 0.816 | S | S | * | * | | | trans | -76 | 125.9 | 153.2 | -90 | 62.2 | 0 | 0 | 0 | 108.5 | | |
| 543 | G | 35.2 | Very low | 36.4 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 173.1 | 64.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 544 | G | 34.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | | | trans | -89.8 | 112.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 545 | D | 38.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | -133.3 | 143.6 | -176.4 | -145.9 | -35.2 | 0 | 0 | 0 | 111.9 | | |
| 546 | R | 38.8 | Very low | 37.1 | Very low | 237 Ų | 237 | 123.2 Ų | 123.2 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | | | trans | 50.7 | 121.2 | 179.9 | -68.4 | 177.5 | -86.6 | -179.6 | -7.3 | 116.8 | | |
| 547 | G | 34.2 | Very low | 37.1 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | | | cis | 134.5 | 146.3 | 33.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 548 | G | 33.5 | Very low | 37 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | | | trans | -160.6 | 117.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 549 | F | 40 | Very low | 37.5 | Very low | 198 Ų | 198 | 124.6 Ų | 124.6 | 87% | 0.868 | 73% | 0.734 | S | S | * | * | | | trans | -98.7 | 145.3 | -163.2 | -69.9 | -102 | 0 | 0 | 0 | 114.9 | | |
| 550 | R | 39.7 | Very low | 37.5 | Very low | 239 Ų | 239 | 123 Ų | 123 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | | | trans | 160.1 | 105.2 | 144.9 | -91.2 | 171 | -125.5 | -155.4 | 1.5 | 108.2 | | |
| 551 | G | 36.3 | Very low | 37.6 | Very low | 59 Ų | 59 | 131.4 Ų | 131.4 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | | | cis | 94.5 | 92.7 | 5.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 552 | R | 37.7 | Very low | 37.6 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 50% | 0.498 | 74% | 0.736 | S | S | . | * | | | trans | -163.8 | 144.7 | 163.8 | -111.7 | 67.5 | 177.1 | 162.5 | 4.6 | 108.9 | P420 M421 D423 | P420-R552 HydrophobicContact CB-CG 4.09Å; P420-R552 HydrophobicContact CG-CG 4.02Å; P420-R552 WeakPolarHBondContact O-CG 3.17Å; M421-R552 PolarHBondContact O-NE 2.92Å; M421-R552 PolarHBondContact O-NH2 3.4Å; D423-R552 IonicContact OD2-NH2 2.75Å; D423-R552 PolarHBondContact OD2-NH2 2.9Å |
| 553 | G | 37.9 | Very low | 37.3 | Very low | 42 Ų | 42 | 123.5 Ų | 123.5 | 43% | 0.433 | 73% | 0.732 | S | S | . | * | | | trans | -106.5 | -154 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G418 M419 P420 | G418-G553 WeakPolarHBondContact O-CA 3.35Å; G418-G553 PolarHBondContact O-N 2.83Å; M419-G553 VanDerWaalsContact CG-C 3.47Å; M419-G553 VanDerWaalsContact CG-O 3.31Å; M419-G553 WeakPolarHBondContact CG-O 3.45Å; P420-G553 VanDerWaalsContact CD-N 3.31Å |
| 554 | G | 38.3 | Very low | 37.2 | Very low | 27 Ų | 27 | 123.3 Ų | 123.3 | 28% | 0.278 | 73% | 0.73 | S | S | . | * | B | Isolated β-bridge | cis | 132.3 | 124.4 | 3.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G417 G418 M419 | G417-G554 WeakPolarHBondContact O-CA 3.38Å; G418-G554 CarbonylContact C-O 3.56Å; M419-G554 WeakPolarHBondContact CB-O 3.3Å; M419-G554 VanDerWaalsContact CG-O 3.24Å; M419-G554 WeakPolarHBondContact CG-O 3.49Å; M419-G554 PolarHBondContact N-O 2.99Å |
| 555 | M | 43.5 | Very low | 37.2 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 42% | 0.419 | 73% | 0.733 | S | S | . | * | | | trans | 71.7 | 151.7 | 162.5 | -54.1 | 173.9 | 153.1 | 0 | 0 | 117.1 | M415 M419 | M415-M555 HydrophobicContact CB-CE 4.13Å; M415-M555 WeakPolarHBondContact O-CE 3.31Å; M419-M555 WeakPolarHBondContact CE-O 3.44Å |
| 556 | D | 42 | Very low | 36.8 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 46% | 0.455 | 74% | 0.736 | S | S | . | * | | | cis | -159.6 | 177.8 | -11.1 | -126.1 | -113.6 | 0 | 0 | 0 | 112 | | |
| 557 | R | 39.6 | Very low | 36.5 | Very low | 225 Ų | 225 | 120.7 Ų | 120.7 | 85% | 0.849 | 73% | 0.73 | S | S | * | * | | | trans | 19.1 | 134.6 | 157.6 | -86.1 | 162 | -85.8 | -175.6 | -8 | 119.8 | | |
| 558 | G | 33.7 | Very low | 37.3 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | | | cis | 126.8 | 140.2 | 27.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 559 | G | 44.1 | Very low | 38.4 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | 97 | 141.2 | 152 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 560 | F | 34.6 | Very low | 38.7 | Very low | 208 Ų | 208 | 124.2 Ų | 124.2 | 91% | 0.912 | 73% | 0.73 | S | S | * | * | | | trans | 64.8 | 99.7 | 154.5 | -59.9 | -78.4 | 0 | 0 | 0 | 122.1 | | |
| 561 | R | 34.6 | Very low | 38.6 | Very low | 262 Ų | 262 | 119.7 Ų | 119.7 | 99% | 0.989 | 72% | 0.724 | S | S | * | * | | | | 176.7 | 156.4 | 125.5 | -92.6 | 165.5 | -149.4 | -129.3 | 6.7 | 107.3 | | |
| 562 | G | 30.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | | | cis | 165.8 | 139.9 | -1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 563 | A | 35.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 96% | 0.959 | 75% | 0.75 | S | S | * | * | | | trans | -72.4 | 162.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 564 | G | 33.8 | Very low | 38.4 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | 158.3 | 130.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 565 | R | 34.4 | Very low | 38.4 | Very low | 257 Ų | 257 | 133.5 Ų | 133.5 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | | | trans | 75.4 | 130.5 | 164.5 | -53.1 | -179.7 | -176.2 | -107.6 | -0.6 | 116.9 | | |
| 566 | G | 30.6 | Very low | 38.2 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | | | cis | -166.1 | 165.6 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 567 | G | 32.7 | Very low | 37.9 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | | | trans | -87.4 | -153 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 568 | P | 51.1 | Low | 37.8 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | | | cis | -134.2 | -139.6 | 44.7 | 43.7 | -23.3 | 0 | 0 | 0 | 113.4 | | |
| 569 | P | 56.8 | Low | 38.1 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 84% | 0.843 | S | S | * | * | | | | -123.5 | 172.8 | -127.8 | 36.4 | -14.6 | 0 | 0 | 0 | 116.8 | | |
| 570 | M | 44.7 | Very low | 37.5 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 92% | 0.916 | 85% | 0.848 | S | S | * | * | | | trans | -156.3 | 154.3 | 156.3 | -106.9 | -63 | -177.4 | 0 | 0 | 110.1 | | |
| 571 | D | 39.3 | Very low | 38.3 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 85% | 0.854 | S | S | * | * | | | trans | -111.9 | 167.4 | -162.1 | -71.4 | -90.1 | 0 | 0 | 0 | 115.6 | | |
| 572 | R | 37.2 | Very low | 38.5 | Very low | 214 Ų | 214 | 134 Ų | 134 | 81% | 0.808 | 84% | 0.838 | S | S | * | * | | | trans | 90.2 | 124 | 138.9 | -134.7 | -179.8 | -162.6 | 174.8 | 4.8 | 119.9 | | |
| 573 | M | 36.5 | Very low | 39.3 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | | | trans | 63.4 | 143.3 | 160.3 | -69.7 | 152.9 | 173.7 | 0 | 0 | 117.2 | | |
| 574 | G | 32.9 | Very low | 40.1 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | cis | 167.8 | 123.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 575 | G | 38.9 | Very low | 40.4 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | | | trans | -160.3 | 101.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 576 | R | 39 | Very low | 40.6 | Very low | 261 Ų | 261 | 128.6 Ų | 128.6 | 99% | 0.985 | 83% | 0.825 | S | S | * | * | | | trans | -77.2 | 124.6 | 177.1 | 173.9 | -161.4 | -80.8 | -163.9 | -4.5 | 110.4 | | |
| 577 | G | 34.8 | Very low | 41.3 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | | | trans | -178.9 | 128.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 578 | G | 39.3 | Very low | 41.9 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | | | trans | -155.3 | 158.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 579 | R | 38.4 | Very low | 41.7 | Very low | 263 Ų | 263 | 139.1 Ų | 139.1 | 99% | 0.992 | 83% | 0.825 | S | S | * | * | | | trans | 69.8 | 108.9 | 175.2 | -50.7 | -174.8 | -169 | -144.4 | 2.7 | 115.9 | | |
| 580 | G | 32.7 | Very low | 41.3 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | | | trans | -163.4 | 95.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 581 | M | 50.2 | Low | 41.6 | Very low | 209 Ų | 209 | 142.6 Ų | 142.6 | 100% | 1.03 | 82% | 0.823 | S | S | * | * | | | trans | -78.3 | 124.1 | 169.9 | -97.3 | -173 | 167.5 | 0 | 0 | 108.9 | | |
| 582 | G | 38.8 | Very low | 41.9 | Very low | 63 Ų | 63 | 139.9 Ų | 139.9 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | | | trans | -111.2 | 152.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 583 | P | 48.1 | Very low | 42.5 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -72 | 153.9 | -174.1 | 29.4 | -35.6 | 0 | 0 | 0 | 113.2 | | |
| 584 | P | 52.6 | Low | 43.2 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -79.8 | 119.9 | -178.6 | 31.5 | -33.8 | 0 | 0 | 0 | 112.2 | | |
| 585 | G | 38.8 | Very low | 44.2 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -168.7 | 160.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 586 | G | 38.4 | Very low | 44.5 | Very low | 65 Ų | 65 | 144 Ų | 144 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | 84 | 60.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | M588 | G586-M588 VanDerWaalsContact C-N 3.31Å; G586-M588 PolarHBondContact O-N 2.99Å |
| 587 | K | 45.5 | Very low | 45 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | | | trans | -67.6 | 88.7 | 159.5 | 42.6 | 171.9 | 174.2 | 177.2 | 0 | 109.7 | D589 | K587-D589 PolarHBondContact O-N 2.55Š|
| 588 | M | 45.6 | Very low | 45.8 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -67.4 | 124 | 177 | -74.6 | -179.1 | -83.4 | 0 | 0 | 110.6 | G586 | G586-M588 VanDerWaalsContact C-N 3.31Å; G586-M588 PolarHBondContact O-N 2.99Å |
| 589 | D | 47.5 | Very low | 46.1 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | | | trans | -71.4 | 140.2 | -179 | -92.1 | -65.5 | 0 | 0 | 0 | 111.6 | K587 R591 | K587-D589 PolarHBondContact O-N 2.55Å; D589-R591 HydrophobicContact CB-CB 4.31Å; D589-R591 PolarHBondContact O-N 2.78Å |
| 590 | M | 48 | Very low | 46.6 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 93% | 0.931 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 29.6 | -178.5 | -155.6 | 172.1 | -72.2 | 0 | 0 | 113.2 | | |
| 591 | R | 51.5 | Low | 47.9 | Very low | 179 Ų | 179 | 153 Ų | 153 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -25.5 | -167.7 | -163.3 | 176.5 | -66.1 | -168 | 3.3 | 112.8 | D589 Q595 | D589-R591 HydrophobicContact CB-CB 4.31Å; D589-R591 PolarHBondContact O-N 2.78Å; R591-Q595 PolarHBondContact O-NE2 2.82Å; R591-Q595 VanDerWaalsContact O-NE2 3.14Å |
| 592 | D | 45.2 | Very low | 47.7 | Very low | 88 Ų | 88 | 157.6 Ų | 157.6 | 47% | 0.471 | 78% | 0.78 | S | S | . | * | G | 310 helix | trans | -85.6 | -32.6 | -172.2 | -58.3 | -46 | 0 | 0 | 0 | 113.7 | R594 Q595 E596 | D592-R594 PolarHBondContact O-N 3.47Å; D592-Q595 PolarHBondContact O-N 3.45Å; D592-Q595 PolarHBondContact OD1-NE2 3.3Å; D592-E596 PolarHBondContact O-N 3.38Å |
| 593 | H | 49.7 | Very low | 48.2 | Very low | 161 Ų | 161 | 162.4 Ų | 162.4 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -59 | -9.1 | 169.2 | -72.9 | 16.5 | 0 | 0 | 0 | 114.3 | E596 | H593-E596 IonicContact ND1-OE2 3.21Š|
| 594 | R | 51.3 | Low | 48.2 | Very low | 219 Ų | 219 | 164.3 Ų | 164.3 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -94 | -14.6 | 173.8 | -154.6 | 176.7 | -164.4 | 174.8 | 7.8 | 113.5 | D592 | D592-R594 PolarHBondContact O-N 3.47Š|
| 595 | Q | 54.6 | Low | 47.9 | Very low | 107 Ų | 107 | 165.8 Ų | 165.8 | 50% | 0.5 | 78% | 0.779 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.2 | -49.3 | -178.3 | -69.9 | 166.4 | 91.7 | 0 | 0 | 110.1 | R591 D592 R597 R598 | R591-Q595 PolarHBondContact O-NE2 2.82Å; R591-Q595 VanDerWaalsContact O-NE2 3.14Å; D592-Q595 PolarHBondContact O-N 3.45Å; D592-Q595 PolarHBondContact OD1-NE2 3.3Å; Q595-R597 PolarHBondContact O-N 3.15Å; Q595-R598 VanDerWaalsContact O-CB 3.26Å; Q595-R598 WeakPolarHBondContact O-CB 3.46Å; Q595-R598 PolarHBondContact O-N 3.18Å |
| 596 | E | 44.2 | Very low | 48.5 | Very low | 147 Ų | 147 | 171.1 Ų | 171.1 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -25.3 | -179.5 | -62.3 | 176.7 | 116.3 | 0 | 0 | 114.9 | D592 H593 R598 | D592-E596 PolarHBondContact O-N 3.38Å; H593-E596 IonicContact ND1-OE2 3.21Å; E596-R598 PolarHBondContact O-N 3.42Å |
| 597 | R | 49.7 | Very low | 49.1 | Very low | 232 Ų | 232 | 177.8 Ų | 177.8 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 11.2 | 176.6 | -152.5 | -167.7 | -78 | -106.5 | 0.3 | 113.5 | Q595 | Q595-R597 PolarHBondContact O-N 3.15Š|
| 598 | R | 52.1 | Low | 49.3 | Very low | 217 Ų | 217 | 175.7 Ų | 175.7 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -24.5 | -178.1 | -151.2 | 170.5 | -166.1 | 176.5 | 1.3 | 114.1 | Q595 E596 R600 | Q595-R598 VanDerWaalsContact O-CB 3.26Å; Q595-R598 WeakPolarHBondContact O-CB 3.46Å; Q595-R598 PolarHBondContact O-N 3.18Å; E596-R598 PolarHBondContact O-N 3.42Å; R598-R600 PolarHBondContact O-N 2.95Å |
| 599 | D | 44.8 | Very low | 49.6 | Very low | 139 Ų | 139 | 175.2 Ų | 175.2 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | -103.5 | 64.7 | -174.7 | -60.6 | -74.3 | 0 | 0 | 0 | 111.2 | | |
| 600 | R | 48.6 | Very low | 49.8 | Very low | 229 Ų | 229 | 179.8 Ų | 179.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -134.1 | 109.3 | 172.1 | -150.2 | 166.9 | -170.5 | 131 | -0.8 | 108.8 | R598 | R598-R600 PolarHBondContact O-N 2.95Š|
| 601 | P | 60.4 | Low | 49.9 | Very low | 126 Ų | 126 | 179.1 Ų | 179.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -70.8 | 161.5 | -174.3 | 29.4 | -35.1 | 0 | 0 | 0 | 112.3 | | |
| 602 | Y | 46.6 | Very low | 49.7 | Very low | 305 Ų | 305 | 179.1 Ų | 179.1 | 100% | 1.196 | 78% | 0.777 | S | S | * | * | | | trans | -95.4 | 0 | 166 | -113.3 | -83.8 | 0 | 0 | 0 | 109.7 | | |