| 1 | M | 44.3 | Very low | 39.3 | Very low | 230 Ų | 230 | 162 Ų | 162 | 100% | 1.133 | 83% | 0.831 | S | S | * | * | | | | 0 | 64.1 | 0 | -52.9 | 170.1 | -174.2 | 0 | 0 | 110.3 | | |
| 2 | E | 36.7 | Very low | 38.7 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | cis | 70 | 145.6 | 22 | -159.1 | -179.3 | 172.7 | 0 | 0 | 115.3 | | |
| 3 | V | 37.3 | Very low | 38.6 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | | | trans | 74.5 | 129.7 | -176.2 | -173.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 4 | S | 35 | Very low | 38.6 | Very low | 113 Ų | 113 | 160.4 Ų | 160.4 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | cis | -162.9 | 162.3 | -23.5 | -100.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 5 | A | 38.5 | Very low | 39.3 | Very low | 104 Ų | 104 | 158.2 Ų | 158.2 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -121.7 | 130.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 6 | D | 44.9 | Very low | 39.4 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | trans | -109.1 | 145.8 | -177 | -162.8 | -81.8 | 0 | 0 | 0 | 112.2 | | |
| 7 | Q | 37.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | | | trans | -144.2 | 119.2 | 175.5 | -177.8 | -169.6 | 109 | 0 | 0 | 109.1 | R9 | Q7-R9 PolarHBondContact O-N 3.37Å; Q7-R9 VanDerWaalsContact O-N 3.1Å |
| 8 | P | 49 | Very low | 39.6 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | | | trans | -75.3 | 104.9 | -174.5 | 28.2 | -34.4 | 0 | 0 | 0 | 112.6 | | |
| 9 | R | 37.7 | Very low | 39.4 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 75% | 0.751 | 82% | 0.816 | S | S | * | * | | | trans | -91.1 | 115.4 | 172.1 | 177.5 | 178.9 | 173.9 | 171.5 | -2.5 | 110.9 | Q7 M11 | Q7-R9 PolarHBondContact O-N 3.37Å; Q7-R9 VanDerWaalsContact O-N 3.1Å; R9-M11 PolarHBondContact O-N 3.1Å |
| 10 | W | 34.1 | Very low | 39 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | | | trans | -72.5 | 115.3 | 172.9 | -70.4 | 87.3 | 0 | 0 | 0 | 111.8 | | |
| 11 | M | 37.5 | Very low | 39.1 | Very low | 146 Ų | 146 | 154 Ų | 154 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | | | trans | -163.7 | 116.5 | 166.6 | -125.1 | 171.5 | 164.6 | 0 | 0 | 113 | R9 | R9-M11 PolarHBondContact O-N 3.1Š|
| 12 | S | 32.4 | Very low | 38.7 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -177.2 | 143.9 | 170.1 | -87.8 | 0 | 0 | 0 | 0 | 109 | | |
| 13 | H | 37.6 | Very low | 39.4 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | cis | -135 | 160.5 | -1 | -64.3 | -80 | 0 | 0 | 0 | 111.2 | | |
| 14 | H | 37.4 | Very low | 39.2 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -123.1 | 141.6 | 152.6 | -78.2 | -103.9 | 0 | 0 | 0 | 108.4 | | |
| 15 | P | 50.1 | Low | 39.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -85.8 | 153.5 | 161.1 | 34.9 | -31.7 | 0 | 0 | 0 | 110.9 | | |
| 16 | A | 39.8 | Very low | 39.2 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -137.7 | 144.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 17 | V | 39.4 | Very low | 39.1 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -142.6 | 103.1 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 18 | L | 42.9 | Very low | 39.7 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | | | trans | 55.6 | 165.4 | 149.5 | -76.9 | 162.2 | 0 | 0 | 0 | 122.2 | | |
| 19 | N | 36.5 | Very low | 38.9 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | | | trans | -150.7 | 136.7 | -167.2 | 156.1 | 103.2 | 0 | 0 | 0 | 108.6 | | |
| 20 | E | 32.1 | Very low | 39.1 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | trans | -152.3 | 168.6 | 161.3 | -124 | 173.6 | 100.7 | 0 | 0 | 111.3 | | |
| 21 | Q | 41.2 | Very low | 39 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -138.3 | 150.5 | -150.9 | -77.8 | 170.8 | -96.9 | 0 | 0 | 115.6 | | |
| 22 | H | 34.3 | Very low | 39.1 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | | | trans | 69.4 | 167.4 | 159.8 | -83.1 | -127.1 | 0 | 0 | 0 | 117.4 | | |
| 23 | P | 51.9 | Low | 39.2 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -140.3 | 148.6 | -48.4 | 38 | -21.9 | 0 | 0 | 0 | 116 | | |
| 24 | G | 32.5 | Very low | 39.2 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 91.6 | 148.2 | 133.8 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 25 | S | 34 | Very low | 39.2 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 106.3 | 137.1 | 144.2 | 82.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 26 | H | 40.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | 61.1 | 103.4 | 163.4 | -54 | -59 | 0 | 0 | 0 | 119.6 | | |
| 27 | H | 42.2 | Very low | 38.8 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | | 89.5 | 157.6 | 81.5 | -94.7 | -127 | 0 | 0 | 0 | 114.2 | | |
| 28 | P | 49.7 | Very low | 38.8 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | -142.1 | 169.4 | -34 | 39.7 | -23 | 0 | 0 | 0 | 115.7 | | |
| 29 | G | 32.4 | Very low | 38.2 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | | | trans | 75.7 | 156.2 | 156 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 30 | L | 42.6 | Very low | 38.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 93% | 0.927 | 76% | 0.763 | S | S | * | * | | | cis | -130.3 | 164.2 | 3.9 | -71.7 | 167.7 | 0 | 0 | 0 | 110.6 | | |
| 31 | G | 32.6 | Very low | 39 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | | | trans | -153.8 | 149.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 32 | H | 39.7 | Very low | 38.6 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | -137.2 | 120.6 | 163.7 | -74.1 | -91 | 0 | 0 | 0 | 106.3 | | |
| 33 | S | 33.1 | Very low | 38.6 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | | 85.5 | 103.5 | 54.9 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 34 | Y | 38.1 | Very low | 37.7 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | -54.3 | 135.8 | 170 | 177.3 | -82.5 | 0 | 0 | 0 | 112.6 | | |
| 35 | M | 37 | Very low | 37.8 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -151 | 133.1 | 155.8 | -86.7 | -64.5 | 99.3 | 0 | 0 | 109.7 | | |
| 36 | D | 39.8 | Very low | 37.9 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | -99.3 | 144.6 | 156.2 | 172.2 | 67.9 | 0 | 0 | 0 | 107.5 | S38 | D36-S38 PolarHBondContact OD2-N 3.42Š|
| 37 | P | 41.8 | Very low | 37.7 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | | -141.7 | 132.9 | 128.2 | 33.8 | -19.1 | 0 | 0 | 0 | 114.5 | | |
| 38 | S | 38.8 | Very low | 37.7 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | trans | -46.3 | 140.1 | 158.6 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | D36 | D36-S38 PolarHBondContact OD2-N 3.42Š|
| 39 | Q | 32.2 | Very low | 37.3 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | | 177.2 | 130.7 | 120.2 | -96.6 | 174.4 | 26.3 | 0 | 0 | 115.2 | | |
| 40 | Y | 34.3 | Very low | 37.7 | Very low | 224 Ų | 224 | 143.1 Ų | 143.1 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | trans | 66.1 | 152 | 156.6 | -79.9 | -94 | 0 | 0 | 0 | 123.2 | | |
| 41 | P | 51 | Low | 37.4 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -124.7 | 165 | -168.2 | 42.8 | -27.9 | 0 | 0 | 0 | 116.3 | | |
| 42 | L | 32.6 | Very low | 37.8 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -154.7 | 147.3 | 159.7 | -68.7 | 178.3 | 0 | 0 | 0 | 108 | | |
| 43 | A | 34.5 | Very low | 37.7 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | cis | -158.2 | 157.8 | -21.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 44 | E | 32 | Very low | 38.4 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -2.8 | 151.1 | 143.1 | -63.9 | 167.9 | -173.2 | 0 | 0 | 118.7 | | |
| 45 | D | 33.7 | Very low | 38.7 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | -167.5 | 169.9 | -19.8 | -128.5 | -67.7 | 0 | 0 | 0 | 109 | | |
| 46 | V | 36.1 | Very low | 39.3 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -154.6 | 118.9 | 162.9 | -97.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 47 | D | 38 | Very low | 39.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -67 | 138 | -160.3 | -57.5 | -99.6 | 0 | 0 | 0 | 117.2 | L49 | D47-L49 PolarHBondContact O-N 2.83Š|
| 48 | V | 41.3 | Very low | 39.4 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -88.5 | 93.8 | 154.4 | 180 | 0 | 0 | 0 | 0 | 108 | F50 | V48-F50 HydrophobicContact CG1-CD2 4.21Å; V48-F50 HydrophobicContact CG1-CE2 4.02Å; V48-F50 PolarHBondContact O-N 3.33Å |
| 49 | L | 40.6 | Very low | 39.4 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -61.5 | 101.7 | -175.3 | -176.9 | 66.5 | 0 | 0 | 0 | 112.8 | D47 | D47-L49 PolarHBondContact O-N 2.83Š|
| 50 | F | 41 | Very low | 39.8 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | -95.6 | 113.4 | 163.9 | -87.8 | -89.9 | 0 | 0 | 0 | 109.9 | V48 I52 | V48-F50 HydrophobicContact CG1-CD2 4.21Å; V48-F50 HydrophobicContact CG1-CE2 4.02Å; V48-F50 PolarHBondContact O-N 3.33Å; F50-I52 PolarHBondContact O-N 2.77Å |
| 51 | N | 36.9 | Very low | 39.8 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -71.8 | 111.2 | 170.2 | -75.3 | 1.2 | 0 | 0 | 0 | 110.1 | | |
| 52 | I | 41.6 | Very low | 39.3 | Very low | 159 Ų | 159 | 141 Ų | 141 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -121.5 | 126.7 | 164.3 | -64.1 | 174.2 | 0 | 0 | 0 | 106.4 | F50 | F50-I52 PolarHBondContact O-N 2.77Š|
| 53 | D | 36.8 | Very low | 39.6 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -125.9 | 123.4 | -179.1 | -158.8 | -56.7 | 0 | 0 | 0 | 112.5 | Q55 | D53-Q55 PolarHBondContact O-N 3.25Š|
| 54 | G | 47.6 | Very low | 39.5 | Very low | 69 Ų | 69 | 143.3 Ų | 143.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 87 | -62.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 55 | Q | 45.2 | Very low | 39.5 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -139.5 | 125.2 | -169.2 | -66.5 | -165.1 | -5.5 | 0 | 0 | 113.8 | D53 N57 | D53-Q55 PolarHBondContact O-N 3.25Å; Q55-N57 PolarHBondContact O-N 3.08Å |
| 56 | G | 48.7 | Very low | 39.6 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 94% | 0.938 | 80% | 0.799 | S | S | * | * | | | trans | -74.5 | 90.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 57 | N | 38.9 | Very low | 39.8 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -144.6 | 127.2 | 166.3 | -140.7 | -15.5 | 0 | 0 | 0 | 111.2 | Q55 V59 | Q55-N57 PolarHBondContact O-N 3.08Å; N57-V59 PolarHBondContact O-N 3.14Å |
| 58 | H | 45.1 | Very low | 39.9 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | | | trans | -89.5 | 96.5 | -168.4 | 177.9 | -76.3 | 0 | 0 | 0 | 112 | | |
| 59 | V | 39.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -94.7 | 125.6 | 179.5 | -176 | 0 | 0 | 0 | 0 | 111.5 | N57 | N57-V59 PolarHBondContact O-N 3.14Š|
| 60 | S | 40.1 | Very low | 39.5 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | | | trans | -75.2 | 128 | 179.6 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | Y62 | S60-Y62 PolarHBondContact O-N 3.02Š|
| 61 | S | 34.8 | Very low | 39.2 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | trans | -78.5 | 84.5 | -179.2 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 62 | Y | 40 | Very low | 39.2 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | -91.5 | 137.9 | 159.4 | -97.3 | -97.2 | 0 | 0 | 0 | 110.9 | S60 | S60-Y62 PolarHBondContact O-N 3.02Š|
| 63 | Y | 39.7 | Very low | 39.2 | Very low | 227 Ų | 227 | 147.2 Ų | 147.2 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | 62.8 | 79.9 | 176.8 | -75.7 | -86 | 0 | 0 | 0 | 118 | | |
| 64 | G | 32.1 | Very low | 40.1 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | -96 | 112 | 159 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 65 | N | 31.7 | Very low | 40.3 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -80.9 | 118.2 | -176.3 | -172 | 9.7 | 0 | 0 | 0 | 112.2 | V67 | N65-V67 PolarHBondContact O-N 3.48Š|
| 66 | S | 35 | Very low | 40.8 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -78.4 | 81.4 | -178.9 | -73.2 | 0 | 0 | 0 | 0 | 113 | R68 | S66-R68 PolarHBondContact O-N 3.34Š|
| 67 | V | 41.4 | Very low | 41.1 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -62.8 | 127.7 | 166.1 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | N65 A69 | N65-V67 PolarHBondContact O-N 3.48Å; V67-A69 PolarHBondContact O-N 2.87Å |
| 68 | R | 39.8 | Very low | 41.5 | Very low | 225 Ų | 225 | 144.4 Ų | 144.4 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | | | trans | -68.8 | 120.3 | 179.1 | -68.5 | -178 | -179.7 | 173.2 | 1 | 110.8 | S66 V70 | S66-R68 PolarHBondContact O-N 3.34Å; R68-V70 PolarHBondContact O-N 3.16Å; R68-V70 VanDerWaalsContact O-N 3.14Å |
| 69 | A | 35.4 | Very low | 41.2 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -63.9 | 111.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | V67 Q71 | V67-A69 PolarHBondContact O-N 2.87Å; A69-Q71 PolarHBondContact O-N 3.35Å |
| 70 | V | 38.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | trans | -81.4 | 94.8 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | R68 R72 | R68-V70 PolarHBondContact O-N 3.16Å; R68-V70 VanDerWaalsContact O-N 3.14Å; V70-R72 PolarHBondContact O-N 3.16Å; V70-R72 VanDerWaalsContact O-N 3.16Å |
| 71 | Q | 33.2 | Very low | 41 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | | | trans | -66.9 | 113.3 | 169.7 | -128 | -161.8 | 2.6 | 0 | 0 | 109.4 | A69 | A69-Q71 PolarHBondContact O-N 3.35Š|
| 72 | R | 38.2 | Very low | 41.2 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119.4 | 167.3 | -70.9 | -172 | 176.4 | -166.9 | 0.6 | 108.7 | V70 | V70-R72 PolarHBondContact O-N 3.16Å; V70-R72 VanDerWaalsContact O-N 3.16Å |
| 73 | Y | 40.4 | Very low | 41.2 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 141.5 | 167.1 | -75.8 | -98.8 | 0 | 0 | 0 | 109.9 | | |
| 74 | P | 56.7 | Low | 40.9 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 153.2 | 168.3 | 30.7 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 75 | P | 52.1 | Low | 41.1 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 151.7 | 177.9 | 30.4 | -35.2 | 0 | 0 | 0 | 112.1 | | |
| 76 | P | 54.4 | Low | 41.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 154.5 | 175.8 | 32 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 77 | P | 55.7 | Low | 41.3 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 157.8 | 175.1 | 30.6 | -35.8 | 0 | 0 | 0 | 112.3 | | |
| 78 | P | 47 | Very low | 41.2 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 135 | 177.9 | 26.8 | -34.4 | 0 | 0 | 0 | 111.7 | | |
| 79 | G | 39.3 | Very low | 40.8 | Very low | 76 Ų | 76 | 142.9 Ų | 142.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 144 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 80 | S | 38.1 | Very low | 40.6 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 136.7 | 173.9 | 45 | 0 | 0 | 0 | 0 | 112.2 | V82 | S80-V82 PolarHBondContact O-N 3.22Š|
| 81 | Q | 37.6 | Very low | 40.5 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.1 | 175.5 | -70.9 | -74.8 | -4 | 0 | 0 | 110.6 | | |
| 82 | V | 39.1 | Very low | 40.7 | Very low | 129 Ų | 129 | 143 Ų | 143 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | | | trans | -104 | 107.4 | 171.2 | -79.8 | 0 | 0 | 0 | 0 | 110 | S80 R84 | S80-V82 PolarHBondContact O-N 3.22Å; V82-R84 PolarHBondContact O-N 3.35Å |
| 83 | C | 39 | Very low | 41.1 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | -59.8 | 124.8 | -177.5 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 84 | R | 33.8 | Very low | 40.6 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -110.7 | 119.4 | 174.9 | -172 | -178.7 | -172.5 | -176.7 | 1.9 | 108.8 | V82 S86 | V82-R84 PolarHBondContact O-N 3.35Å; R84-S86 PolarHBondContact O-N 3.37Å |
| 85 | P | 36.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121.6 | 175.4 | -19.2 | 32 | 0 | 0 | 0 | 110.4 | | |
| 86 | S | 33.2 | Very low | 38.5 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 129.9 | 169.6 | -71.5 | 0 | 0 | 0 | 0 | 109.7 | R84 | R84-S86 PolarHBondContact O-N 3.37Š|
| 87 | L | 39.1 | Very low | 37.3 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 132.5 | 167 | -63.9 | 166.2 | 0 | 0 | 0 | 108.5 | | |
| 88 | L | 38 | Very low | 36.1 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -111 | 134.6 | 166.3 | -73.8 | 177.1 | 0 | 0 | 0 | 109.8 | | |
| 89 | H | 31.8 | Very low | 35.5 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -119 | 111.8 | 177.3 | -179.9 | -86.7 | 0 | 0 | 0 | 106.9 | | |
| 90 | S | 31.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -122.7 | 123 | -176.4 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 91 | S | 35.2 | Very low | 35 | Very low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | | | trans | -126.8 | 121.8 | -177.9 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 92 | L | 37.3 | Very low | 34.7 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -150.7 | 163.9 | 162.6 | -88.3 | 178.1 | 0 | 0 | 0 | 108.2 | | |
| 93 | P | 47.7 | Very low | 34.7 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 53% | 0.526 | 81% | 0.807 | S | S | . | * | | | trans | -129.5 | -160 | -140 | 43.9 | -28.8 | 0 | 0 | 0 | 115.8 | | |
| 94 | W | 29.8 | Very low | 34.5 | Very low | 220 Ų | 220 | 142.5 Ų | 142.5 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | | | trans | 87.8 | 112.6 | 177.5 | -51.1 | -47.4 | 0 | 0 | 0 | 114 | | |
| 95 | L | 37.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | | 66.6 | 131.1 | 88.3 | -66.9 | 166.8 | 0 | 0 | 0 | 111.7 | | |
| 96 | E | 27.2 | Very low | 34.7 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | cis | -131.3 | 167 | 30.4 | -173.7 | 47.2 | -109.1 | 0 | 0 | 112.8 | | |
| 97 | G | 30.3 | Very low | 34.7 | Very low | 52 Ų | 52 | 145.3 Ų | 145.3 | 54% | 0.536 | 81% | 0.807 | S | S | . | * | | | trans | -105.1 | 170.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 98 | S | 30.4 | Very low | 34.6 | Very low | 131 Ų | 131 | 145 Ų | 145 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -160.4 | 161.4 | 153.2 | -91.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 99 | K | 33.8 | Very low | 34.6 | Very low | 208 Ų | 208 | 142 Ų | 142 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | trans | -86.7 | 142.9 | -158.5 | -61.4 | 167.4 | -177.6 | 170.5 | 0 | 113.9 | | |
| 100 | G | 31.7 | Very low | 35.3 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -169.8 | 107.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 101 | H | 35.8 | Very low | 35.5 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | | | trans | -86.5 | 134.6 | 176.3 | -67.2 | -95.4 | 0 | 0 | 0 | 110.7 | | |
| 102 | S | 31.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -142 | 127.7 | 168.8 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 103 | S | 38.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -114.6 | 158 | 179.5 | 53 | 0 | 0 | 0 | 0 | 111.4 | | |
| 104 | S | 34.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -68.4 | 133.7 | -165.2 | -49.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 105 | P | 38.2 | Very low | 36.4 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | trans | -96.9 | 104.5 | 166.8 | 34 | -28.6 | 0 | 0 | 0 | 111.8 | | |
| 106 | W | 34.9 | Very low | 36.4 | Very low | 244 Ų | 244 | 144 Ų | 144 | 92% | 0.924 | 81% | 0.812 | S | S | * | * | | | trans | -137.8 | 67.4 | 168.7 | -91.7 | 110 | 0 | 0 | 0 | 112 | | |
| 107 | N | 34.8 | Very low | 36.9 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | -170.4 | 151.1 | 150.1 | -121.3 | -57.5 | 0 | 0 | 0 | 111.4 | | |
| 108 | L | 35.8 | Very low | 37.3 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | | | trans | 168.9 | 122 | 131.5 | -93.6 | 172.1 | 0 | 0 | 0 | 110.4 | | |
| 109 | S | 37.9 | Very low | 37.3 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | -107.9 | 129.5 | 168.3 | -62.1 | 0 | 0 | 0 | 0 | 109.3 | F111 | S109-F111 PolarHBondContact O-N 2.95Š|
| 110 | P | 47.7 | Very low | 37.4 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | | | trans | -89.3 | 109.1 | -179.5 | 32.5 | -31.7 | 0 | 0 | 0 | 112.4 | | |
| 111 | F | 34.7 | Very low | 38.3 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -128.4 | 111.3 | 159.1 | -90.3 | -74.2 | 0 | 0 | 0 | 108.7 | S109 | S109-F111 PolarHBondContact O-N 2.95Š|
| 112 | P | 54.4 | Low | 38.3 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | | | trans | -75.2 | 148.9 | 169.5 | 31.6 | -32.8 | 0 | 0 | 0 | 110.7 | | |
| 113 | K | 34.7 | Very low | 38.5 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -117.4 | 137.4 | 170.5 | -68.2 | 179.4 | 178.4 | 178 | 0 | 109 | | |
| 114 | N | 33.3 | Very low | 38.3 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80 | 151.1 | 174.1 | -74.5 | 21.8 | 0 | 0 | 0 | 111.7 | | |
| 115 | P | 45.8 | Very low | 38.3 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 166 | 163.6 | 34.8 | -34.4 | 0 | 0 | 0 | 112 | | |
| 116 | L | 38.4 | Very low | 38.3 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 156.1 | 172.5 | -80.1 | 64.1 | 0 | 0 | 0 | 111.3 | | |
| 117 | H | 37.8 | Very low | 38.4 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | | -166.5 | 155.1 | 122.3 | -110.4 | -81.4 | 0 | 0 | 0 | 111 | | |
| 118 | H | 38.1 | Very low | 39.4 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -96.9 | 143.9 | 176.3 | -69.4 | -107.4 | 0 | 0 | 0 | 111.2 | | |
| 119 | G | 30.4 | Very low | 40.5 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | -177.4 | 134.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 120 | S | 37 | Very low | 40.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -150.8 | 160.6 | 175.4 | -90.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 121 | P | 51 | Low | 39.6 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | cis | -149.8 | -169.7 | 43.5 | 43.1 | -22.4 | 0 | 0 | 0 | 117.2 | | |
| 122 | A | 34.9 | Very low | 39.6 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | 67.4 | 153.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 123 | S | 35.3 | Very low | 38.5 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | cis | -167.3 | 157.7 | -20 | 52.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 124 | L | 33.8 | Very low | 38.5 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | cis | -161.7 | 155.7 | 41.4 | -70.1 | 159.6 | 0 | 0 | 0 | 109.4 | | |
| 125 | S | 35 | Very low | 38.6 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -167.4 | 160.8 | 137.8 | -161.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 126 | V | 37.7 | Very low | 37.9 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | -128.8 | 132.2 | -161.9 | 173 | 0 | 0 | 0 | 0 | 112.6 | | |
| 127 | Y | 37.9 | Very low | 37.6 | Very low | 209 Ų | 209 | 126.4 Ų | 126.4 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | | | trans | -77.5 | 160.9 | 169.9 | -95.3 | -74.5 | 0 | 0 | 0 | 110.9 | | |
| 128 | P | 55.8 | Low | 37.3 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -151.2 | -151.7 | 66.1 | 45.4 | -21.3 | 0 | 0 | 0 | 114.2 | | |
| 129 | P | 59.3 | Low | 37.2 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | | -139.9 | -158.1 | -104.5 | 44.2 | -22.4 | 0 | 0 | 0 | 115.6 | | |
| 130 | A | 32.1 | Very low | 37.4 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 105.9 | 101.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 131 | S | 33.3 | Very low | 37.3 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | | 54.4 | 115.4 | 118 | -51.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 132 | S | 35 | Very low | 37.4 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | | 77.2 | 147.9 | 126.6 | 66.3 | 0 | 0 | 0 | 0 | 123 | | |
| 133 | T | 32.8 | Very low | 37.4 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | | | trans | 64 | 155.1 | 166.9 | 53.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 134 | S | 34.6 | Very low | 37.6 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | cis | -170.2 | 157.3 | -27.1 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 135 | L | 34.3 | Very low | 37.8 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | 63.8 | 164.8 | 171.3 | -58.4 | 166.1 | 0 | 0 | 0 | 114.2 | | |
| 136 | S | 32.4 | Very low | 38.1 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | cis | -165.4 | 151.1 | -22.6 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 137 | T | 31.5 | Very low | 38.6 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | trans | 70.1 | 140 | 167.9 | -38.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 138 | G | 31.3 | Very low | 39.2 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | | | cis | 174.7 | 177.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 139 | H | 35.1 | Very low | 39 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | | | trans | 74.7 | 158.5 | 170.2 | -55 | -86.2 | 0 | 0 | 0 | 120.2 | | |
| 140 | S | 35.2 | Very low | 38.7 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | trans | 73.5 | 86.7 | 164.9 | -58.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 141 | S | 35.4 | Very low | 39.6 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -84.4 | 178.4 | 155.9 | -144.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 142 | P | 52.1 | Low | 40.4 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | cis | -147.3 | -178.7 | 10.5 | 46.2 | -26.7 | 0 | 0 | 0 | 119.3 | | |
| 143 | H | 36.4 | Very low | 40.7 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 61% | 0.606 | 77% | 0.772 | S | S | * | * | | | trans | 62 | 108.3 | 150.3 | -62.8 | -44.1 | 0 | 0 | 0 | 122.1 | F145 | H143-F145 AromaticContact CE1-CE2 3.27Å; H143-F145 WeakPolarHBondContact CE1-CE2 3.3Å; H143-F145 AromaticContact CE1-CZ 3.57Å; H143-F145 AromaticContact ND1-CD2 3.72Å; H143-F145 AromaticContact ND1-CE2 3.3Å; H143-F145 VanDerWaalsContact ND1-CE2 3.3Å; H143-F145 WeakPolarHBondContact ND1-CE2 3.27Å; H143-F145 AromaticContact ND1-CZ 3.85Å |
| 144 | L | 38.3 | Very low | 40.9 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | | | | -128.1 | 141.2 | 107.1 | -75 | -179.3 | 0 | 0 | 0 | 109 | | |
| 145 | F | 39.3 | Very low | 41.1 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 124.6 | -173.3 | -92.9 | -79.6 | 0 | 0 | 0 | 113.3 | H143 | H143-F145 AromaticContact CE1-CE2 3.27Å; H143-F145 WeakPolarHBondContact CE1-CE2 3.3Å; H143-F145 AromaticContact CE1-CZ 3.57Å; H143-F145 AromaticContact ND1-CD2 3.72Å; H143-F145 AromaticContact ND1-CE2 3.3Å; H143-F145 VanDerWaalsContact ND1-CE2 3.3Å; H143-F145 WeakPolarHBondContact ND1-CE2 3.27Å; H143-F145 AromaticContact ND1-CZ 3.85Å |
| 146 | T | 41 | Very low | 41.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 147.5 | 157 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 147 | F | 47.9 | Very low | 42.2 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 143.6 | 176.9 | -71 | -92.3 | 0 | 0 | 0 | 112.2 | | |
| 148 | P | 50.8 | Low | 42.5 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 145.5 | 177.2 | 31.3 | -34.9 | 0 | 0 | 0 | 112.2 | | |
| 149 | P | 51.1 | Low | 43.3 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 161.8 | 169.2 | 32.3 | -34.9 | 0 | 0 | 0 | 112 | | |
| 150 | T | 51.8 | Low | 43.2 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146 | 177.1 | 48 | 0 | 0 | 0 | 0 | 112.7 | | |
| 151 | P | 51.1 | Low | 43.3 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 157.9 | 177.2 | 30.3 | -35.9 | 0 | 0 | 0 | 112.9 | | |
| 152 | P | 50.1 | Low | 43.3 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -74.2 | 174.4 | 178.2 | 32.9 | -36.7 | 0 | 0 | 0 | 113.1 | | |
| 153 | K | 42.3 | Very low | 42.6 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | -85.5 | 137.9 | 166 | -71.4 | 178.2 | 174.2 | 179.6 | 0 | 109.9 | | |
| 154 | D | 37.1 | Very low | 43.2 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -112.8 | 167.4 | 162.7 | -91.1 | -67.9 | 0 | 0 | 0 | 111.9 | | |
| 155 | V | 39.3 | Very low | 42.8 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -101.2 | 162.4 | -161.8 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 156 | S | 40.9 | Very low | 42.5 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | trans | -51.8 | 163 | 177.9 | -150.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 157 | P | 48.7 | Very low | 42.1 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | | -130.3 | 152.1 | 105.3 | 37.7 | -32.5 | 0 | 0 | 0 | 115.1 | | |
| 158 | D | 37.6 | Very low | 41.3 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -102.8 | 150.6 | 172.6 | -157 | -50.7 | 0 | 0 | 0 | 109.2 | G160 | D158-G160 PolarHBondContact OD1-N 3.44Š|
| 159 | P | 47.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -137.2 | 104.1 | 144.8 | 34.2 | -18.9 | 0 | 0 | 0 | 113.6 | | |
| 160 | G | 33.8 | Very low | 39.5 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -125.9 | 97.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D158 | D158-G160 PolarHBondContact OD1-N 3.44Š|
| 161 | I | 36.4 | Very low | 38.7 | Very low | 171 Ų | 171 | 125.7 Ų | 125.7 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -89.6 | 145.3 | 178.6 | 48.9 | 171.9 | 0 | 0 | 0 | 113.1 | | |
| 162 | S | 34.9 | Very low | 38 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 170.9 | 168.9 | -50.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 163 | T | 38.3 | Very low | 37.5 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | cis | -161.1 | -153.6 | 46.5 | -30.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 164 | P | 48.6 | Very low | 37.3 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | -127.8 | -179 | -124.4 | 45.3 | -27.3 | 0 | 0 | 0 | 118.2 | | |
| 165 | G | 30.1 | Very low | 37.4 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 112.6 | 147.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 166 | S | 34 | Very low | 37.3 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | cis | -162.8 | 158.2 | -5.1 | -77.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 167 | S | 32.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 61.1 | 152.3 | 164.4 | 39.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 168 | S | 30.5 | Very low | 36.2 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | cis | -167.9 | 152.8 | -13.3 | 48.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 169 | S | 32.9 | Very low | 36 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | 66.5 | 138.8 | 164.7 | -53.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 170 | G | 31.5 | Very low | 35.2 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | cis | 141.2 | 124 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 171 | R | 35.1 | Very low | 35 | Very low | 251 Ų | 251 | 139.3 Ų | 139.3 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | | | trans | -176.1 | 149.1 | 149.1 | -105.3 | 162.7 | -170.2 | -82.3 | -3 | 111.1 | | |
| 172 | Q | 35.8 | Very low | 34.6 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -83.3 | 156.2 | 171.4 | -57.6 | 150.6 | -79.9 | 0 | 0 | 110.2 | | |
| 173 | E | 38.8 | Very low | 34.6 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | | -162.4 | 120.4 | 114.7 | -179.3 | 151.2 | 64.8 | 0 | 0 | 111.1 | K175 | E173-K175 HydrophobicContact CG-CD 4.38Å; E173-K175 IonicContact OE2-NZ 3.42Å; E173-K175 PolarHBondContact OE2-NZ 2.77Å |
| 174 | D | 38.5 | Very low | 34.2 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | trans | -86.3 | 139.8 | 165 | -50.7 | -91.8 | 0 | 0 | 0 | 110.3 | | |
| 175 | K | 39.3 | Very low | 33.6 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -162.4 | 154.6 | 148.8 | -98.2 | 126.7 | -146.6 | 174.1 | 0 | 113 | E173 | E173-K175 HydrophobicContact CG-CD 4.38Å; E173-K175 IonicContact OE2-NZ 3.42Å; E173-K175 PolarHBondContact OE2-NZ 2.77Å |
| 176 | E | 37.1 | Very low | 33.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | | | trans | -102.5 | 178.9 | -159.8 | -158.3 | -175.6 | 108.5 | 0 | 0 | 113 | | |
| 177 | C | 28.4 | Very low | 33.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 64.9 | 158.8 | 163.4 | 82 | 0 | 0 | 0 | 0 | 116.9 | | |
| 178 | I | 37.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | cis | -127.2 | 142.3 | 17.9 | -64.7 | 172.6 | 0 | 0 | 0 | 112.5 | Y180 | I178-Y180 HydrophobicContact CG2-CD2 3.79Å; I178-Y180 HydrophobicContact CG2-CE2 3.62Å |
| 179 | K | 34.4 | Very low | 33.9 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -89.1 | 124.3 | 167.1 | 169.5 | -165.4 | 172.5 | -167.7 | 0 | 110 | | |
| 180 | Y | 30.2 | Very low | 33.9 | Very low | 206 Ų | 206 | 152.7 Ų | 152.7 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -109.7 | 116.7 | 163 | -89 | -74.4 | 0 | 0 | 0 | 111.6 | I178 | I178-Y180 HydrophobicContact CG2-CD2 3.79Å; I178-Y180 HydrophobicContact CG2-CE2 3.62Å |
| 181 | Q | 30 | Very low | 33.7 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 62% | 0.621 | 78% | 0.775 | S | S | * | * | | | trans | -129.3 | 120.2 | 174.8 | 177.4 | -180 | 17.7 | 0 | 0 | 106.1 | | |
| 182 | V | 29.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | -120.3 | 106.7 | 177.4 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 183 | T | 33.5 | Very low | 33 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -92.5 | 142.1 | 159.1 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 184 | L | 30.7 | Very low | 32.7 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | | | trans | -137.5 | 142.5 | 163.1 | -135.8 | 165.7 | 0 | 0 | 0 | 108.2 | | |
| 185 | A | 35.4 | Very low | 32.3 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | -93.5 | 177.9 | -157 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 186 | E | 33 | Very low | 32 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -93.2 | 164.1 | -174.5 | -164.4 | -178 | 154.1 | 0 | 0 | 112.6 | | |
| 187 | S | 33.2 | Very low | 31.7 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | 74.8 | 117.3 | 156.2 | 74.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 188 | M | 34.5 | Very low | 32 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 97% | 0.97 | 76% | 0.761 | S | S | * | * | | | | -151.8 | 152.2 | 124.8 | 45.9 | -170.9 | 65.5 | 0 | 0 | 109.5 | | |
| 189 | K | 32.8 | Very low | 31.6 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -124.1 | 141.9 | -162.4 | 168.6 | -170.6 | 170.7 | -175.9 | 0 | 110.7 | E191 | K189-E191 WeakPolarHBondContact CE-OE2 3.22Å; K189-E191 IonicContact NZ-OE2 2.64Å; K189-E191 PolarHBondContact NZ-OE2 3.19Å |
| 190 | L | 33.5 | Very low | 31.6 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | | | trans | -142.1 | 165.2 | 150.2 | -150.6 | 67.4 | 0 | 0 | 0 | 110.1 | | |
| 191 | E | 27 | Very low | 31.8 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | | | trans | -147.1 | 162.7 | -156.7 | -172.6 | 179.6 | 99.6 | 0 | 0 | 111.2 | K189 | K189-E191 WeakPolarHBondContact CE-OE2 3.22Å; K189-E191 IonicContact NZ-OE2 2.64Å; K189-E191 PolarHBondContact NZ-OE2 3.19Å |
| 192 | S | 26.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 73.9 | 153.5 | 163.8 | -100.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 193 | A | 29.8 | Very low | 31.8 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 57% | 0.57 | 79% | 0.789 | S | S | * | * | | | cis | -160.7 | 160.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 194 | H | 32.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | 52.3 | 144 | 157.5 | -61 | 90.7 | 0 | 0 | 0 | 120.1 | | |
| 195 | S | 30.4 | Very low | 31.6 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | cis | 97.3 | 118.1 | 15.8 | -62.3 | 0 | 0 | 0 | 0 | 117 | | |
| 196 | R | 32.9 | Very low | 31.4 | Very low | 247 Ų | 247 | 132 Ų | 132 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | trans | 76.8 | 155 | 173.9 | -46.7 | 178.4 | -176.4 | 176.8 | 1.3 | 114.1 | | |
| 197 | S | 30.7 | Very low | 31.2 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | cis | -155.8 | 162.6 | 5.1 | -144.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 198 | V | 33.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | 12.7 | 141.5 | 161.9 | -61.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 199 | A | 30.4 | Very low | 31.3 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -162 | 163.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 200 | S | 34.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -144.2 | 173.8 | 173.2 | -159.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 201 | I | 34.9 | Very low | 32 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | cis | -149.2 | 156.9 | 24.4 | -54 | 165.2 | 0 | 0 | 0 | 105.5 | | |
| 202 | G | 29.4 | Very low | 32.1 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | | | cis | 139.7 | -174.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 203 | A | 29.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 95% | 0.95 | 80% | 0.797 | S | S | * | * | | | trans | 68.1 | 143.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 204 | G | 28.7 | Very low | 32.5 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | 146.2 | 123.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 205 | S | 30.6 | Very low | 32.5 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -136.8 | 134.4 | -169.9 | -176.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 206 | T | 31.1 | Very low | 33.1 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -173.1 | 123.6 | 156.7 | 22.6 | 0 | 0 | 0 | 0 | 105.9 | | |
| 207 | S | 28.7 | Very low | 33.4 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | cis | 76.2 | 102.8 | 45.8 | -166.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 208 | A | 34.3 | Very low | 33.5 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -175.4 | 95.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 209 | H | 35.8 | Very low | 33.5 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | -132.4 | 118.2 | 161.4 | -93 | -77.5 | 0 | 0 | 0 | 108.5 | | |
| 210 | H | 34.6 | Very low | 33.7 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -166.4 | 171.3 | 166.2 | 69.2 | -48 | 0 | 0 | 0 | 109.7 | | |
| 211 | P | 46 | Very low | 33.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | | -136.1 | -172.4 | -79.7 | 40.6 | -23.1 | 0 | 0 | 0 | 113.3 | | |
| 212 | I | 29 | Very low | 34.8 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -119.5 | 146.3 | 155.1 | -67.7 | 179.4 | 0 | 0 | 0 | 107.7 | | |
| 213 | A | 31.4 | Very low | 35 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | -80.8 | 168.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 214 | T | 33.3 | Very low | 35.3 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -133.8 | 173.4 | -173.2 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 215 | Y | 33 | Very low | 35.4 | Very low | 215 Ų | 215 | 142.4 Ų | 142.4 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 97.6 | 148.7 | 173 | -73.9 | -101.8 | 0 | 0 | 0 | 116.2 | | |
| 216 | P | 43.9 | Very low | 36.2 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | | | cis | -138.1 | 168.7 | -45.6 | 37.2 | -21.4 | 0 | 0 | 0 | 114 | | |
| 217 | P | 38.3 | Very low | 37.3 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -91.9 | 154.2 | 167.1 | 36.4 | -32.4 | 0 | 0 | 0 | 112.9 | | |
| 218 | Y | 32.4 | Very low | 37.5 | Very low | 220 Ų | 220 | 140.1 Ų | 140.1 | 86% | 0.863 | 78% | 0.779 | S | S | * | * | | | trans | -138.7 | 158.8 | 164.7 | 52.7 | -99.9 | 0 | 0 | 0 | 110.6 | | |
| 219 | E | 33.2 | Very low | 37.5 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 152.4 | -172.7 | -56 | -177.9 | 108 | 0 | 0 | 113.8 | | |
| 220 | Y | 36 | Very low | 38.1 | Very low | 237 Ų | 237 | 139.9 Ų | 139.9 | 93% | 0.929 | 78% | 0.781 | S | S | * | * | | | | -155.5 | 165 | 114.9 | -140.8 | -106.5 | 0 | 0 | 0 | 112.7 | | |
| 221 | G | 35.4 | Very low | 38.6 | Very low | 56 Ų | 56 | 140 Ų | 140 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | | | trans | -86.1 | 176 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 222 | P | 56.6 | Low | 38 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | | | trans | -92.1 | 162.7 | -173.2 | 37.2 | -36.4 | 0 | 0 | 0 | 114.2 | | |
| 223 | G | 32.6 | Very low | 38.1 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | -166.1 | 138.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 224 | L | 35.7 | Very low | 38.6 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | 59.3 | 112.1 | 153.5 | -39.3 | 177.9 | 0 | 0 | 0 | 116.8 | | |
| 225 | F | 31.8 | Very low | 38.8 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | | -170.3 | 148.9 | 52.2 | -87.4 | -77.1 | 0 | 0 | 0 | 112.6 | | |
| 226 | P | 46.7 | Very low | 39.2 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -112.3 | -168.4 | 167.6 | 43.5 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 227 | P | 54 | Low | 39.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | | | cis | -133.4 | -177.6 | -29.7 | 27.6 | -5.3 | 0 | 0 | 0 | 114.7 | | |
| 228 | S | 34.3 | Very low | 39.5 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | 61.1 | 128 | 142.5 | -70 | 0 | 0 | 0 | 0 | 123.2 | | |
| 229 | S | 33.9 | Very low | 40.2 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -141.9 | 131.1 | 132.1 | -77.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 230 | L | 48 | Very low | 40.2 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -107.7 | 118.6 | -172.4 | -68.2 | 168 | 0 | 0 | 0 | 110.8 | | |
| 231 | I | 46.3 | Very low | 40.3 | Very low | 176 Ų | 176 | 123.2 Ų | 123.2 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | | | trans | -162.2 | 138.2 | 155.7 | -89.6 | 131.1 | 0 | 0 | 0 | 104.6 | | |
| 232 | G | 33 | Very low | 40.6 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | cis | 126.3 | 65.1 | 12 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 233 | G | 31.2 | Very low | 40 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -154.4 | 107.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 234 | S | 41.6 | Very low | 40.6 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -80.6 | 148.9 | -176.7 | -49.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 235 | S | 37.8 | Very low | 40.7 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -124.8 | 116.2 | 157.3 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 236 | S | 41.1 | Very low | 41.2 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 58% | 0.58 | 81% | 0.807 | S | S | * | * | | | trans | -74.5 | 149.6 | -173.5 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | Y238 | S236-Y238 PolarHBondContact OG-OH 3.3Š|
| 237 | S | 46.2 | Very low | 41 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -98 | 118.9 | -175.3 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 238 | Y | 42.5 | Very low | 40.5 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -132.5 | 116.1 | 167.5 | -48.3 | -70.2 | 0 | 0 | 0 | 109 | S236 | S236-Y238 PolarHBondContact OG-OH 3.3Š|
| 239 | G | 45.7 | Very low | 41.3 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | -86 | 165 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 240 | S | 34.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -148.9 | 117.9 | 164.3 | -90.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 241 | K | 37.5 | Very low | 41.7 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | | | trans | -16.2 | 123.2 | 168.3 | -61.1 | 169.4 | -176.9 | 176.1 | 0 | 115.7 | | |
| 242 | T | 42.1 | Very low | 42 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | | | trans | -65.6 | 133.1 | 169.9 | 44.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 243 | R | 43.7 | Very low | 42.8 | Very low | 223 Ų | 223 | 135.7 Ų | 135.7 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | | | trans | -129.5 | 129.8 | 172.6 | -164.5 | 179.1 | -167 | -89.7 | 7.4 | 108.5 | K245 | R243-K245 PolarHBondContact O-N 2.77Š|
| 244 | P | 45.2 | Very low | 43.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -65.7 | 95 | -179.7 | -21.6 | 33.6 | 0 | 0 | 0 | 111.4 | T246 | P244-T246 PolarHBondContact O-N 2.88Š|
| 245 | K | 37.2 | Very low | 44.4 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -73.5 | 112.1 | 168.8 | -166.8 | 84.4 | 173.6 | -167.5 | 0 | 107 | R243 R247 | R243-K245 PolarHBondContact O-N 2.77Å; K245-R247 PolarHBondContact O-N 3.18Å |
| 246 | T | 43 | Very low | 45.7 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | trans | -53.9 | 116.2 | 170.1 | 36.8 | 0 | 0 | 0 | 0 | 108.8 | P244 S248 | P244-T246 PolarHBondContact O-N 2.88Å; T246-S248 PolarHBondContact O-N 3.28Å |
| 247 | R | 42.9 | Very low | 47.4 | Very low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -75.5 | 76.4 | 178.6 | -62.5 | -177 | 86.7 | 179.3 | 7.6 | 108.9 | K245 C249 | K245-R247 PolarHBondContact O-N 3.18Å; R247-C249 PolarHBondContact O-N 3.36Å; R247-C249 VanDerWaalsContact O-N 3.12Å |
| 248 | S | 42.8 | Very low | 49.4 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -49 | 119.9 | 159.3 | -71.5 | 0 | 0 | 0 | 0 | 107.4 | T246 S250 | T246-S248 PolarHBondContact O-N 3.28Å; S248-S250 PolarHBondContact O-N 3.26Å |
| 249 | C | 51.3 | Low | 51.8 | Low | 127 Ų | 127 | 127.9 Ų | 127.9 | 86% | 0.858 | 72% | 0.722 | S | S | * | * | | | trans | -59.8 | 105.5 | -174.2 | -61 | 0 | 0 | 0 | 0 | 109.6 | R247 A251 | R247-C249 PolarHBondContact O-N 3.36Å; R247-C249 VanDerWaalsContact O-N 3.12Å; C249-A251 PolarHBondContact O-N 3.15Å |
| 250 | S | 43 | Very low | 54.1 | Low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | | | trans | -57.5 | 113.4 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 108.3 | S248 L252 | S248-S250 PolarHBondContact O-N 3.26Å; S250-L252 PolarHBondContact O-N 3Å |
| 251 | A | 47.9 | Very low | 56.8 | Low | 84 Ų | 84 | 121.7 Ų | 121.7 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | | | trans | -64.6 | 106.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C249 | C249-A251 PolarHBondContact O-N 3.15Š|
| 252 | L | 50.8 | Low | 59.4 | Low | 130 Ų | 130 | 112.9 Ų | 112.9 | 68% | 0.681 | 63% | 0.627 | S | S | * | * | | | trans | -61.3 | 138.8 | 165.3 | -61.1 | -179.3 | 0 | 0 | 0 | 107.7 | S250 H254 A255 | S250-L252 PolarHBondContact O-N 3Å; L252-H254 PolarHBondContact O-N 3.22Å; L252-A255 VanDerWaalsContact O-CB 3.31Å; L252-A255 WeakPolarHBondContact O-CB 3.39Å; L252-A255 PolarHBondContact O-N 3.42Å |
| 253 | P | 50.9 | Low | 61.6 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -60.9 | -10.5 | -175.1 | 22.4 | -33.5 | 0 | 0 | 0 | 114.1 | A255 | P253-A255 VanDerWaalsContact C-N 3.3Å; P253-A255 PolarHBondContact O-N 3.19Å |
| 254 | H | 47.9 | Very low | 63.8 | Low | 152 Ų | 152 | 97.1 Ų | 97.1 | 70% | 0.704 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -79.2 | -2.6 | 171 | -119.9 | 83.8 | 0 | 0 | 0 | 114.6 | L252 R258 | L252-H254 PolarHBondContact O-N 3.22Å; H254-R258 VanDerWaalsContact O-CZ 3.32Å; H254-R258 PolarHBondContact O-NE 3.37Å; H254-R258 PolarHBondContact O-NH2 2.9Å |
| 255 | A | 57.3 | Low | 65.9 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -78.1 | -29.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L252 P253 G257 | L252-A255 VanDerWaalsContact O-CB 3.31Å; L252-A255 WeakPolarHBondContact O-CB 3.39Å; L252-A255 PolarHBondContact O-N 3.42Å; P253-A255 VanDerWaalsContact C-N 3.3Å; P253-A255 PolarHBondContact O-N 3.19Å; A255-G257 PolarHBondContact O-N 2.74Å; A255-G257 VanDerWaalsContact O-N 3.09Å |
| 256 | E | 65.3 | Low | 68.5 | Low | 167 Ų | 167 | 87.3 Ų | 87.3 | 78% | 0.78 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 96.9 | -170.5 | -62.4 | -165 | 95 | 0 | 0 | 112.6 | | |
| 257 | G | 77.8 | Confident | 70.8 | Confident | 70 Ų | 70 | 86 Ų | 86 | 72% | 0.722 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.8 | -16.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A255 E259 | A255-G257 PolarHBondContact O-N 2.74Å; A255-G257 VanDerWaalsContact O-N 3.09Å; G257-E259 PolarHBondContact O-N 2.92Å |
| 258 | R | 88.7 | Confident | 73.1 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 28% | 0.279 | 48% | 0.477 | S | S | . | . | | | trans | -76.4 | 103.9 | 174.6 | -70.9 | -177.1 | -88.9 | -168.1 | 0.7 | 109.9 | H254 W271 Y279 | H254-R258 VanDerWaalsContact O-CZ 3.32Å; H254-R258 PolarHBondContact O-NE 3.37Å; H254-R258 PolarHBondContact O-NH2 2.9Å; R258-W271 HydrophobicContact CB-CD2 4.49Å; R258-W271 HydrophobicContact CB-CH2 3.94Å; R258-W271 HydrophobicContact CB-CZ2 3.6Å; R258-W271 WeakPolarHBondContact O-CH2 3.1Å; R258-W271 VanDerWaalsContact O-CZ2 3.25Å; R258-W271 WeakPolarHBondContact O-CZ2 3.44Å; R258-Y279 HydrophobicContact CG-CD1 4.45Å; R258-Y279 HydrophobicContact CG-CD2 4.43Å; R258-Y279 HydrophobicContact CG-CE1 4.4Å; R258-Y279 HydrophobicContact CG-CE2 4.38Å; R258-Y279 HydrophobicContact CG-CG 4.47Å |
| 259 | E | 93 | Very high | 75.5 | Confident | 56 Ų | 56 | 77 Ų | 77 | 26% | 0.262 | 48% | 0.481 | S | S | . | . | | | trans | -104.6 | 138.2 | 165 | 76.5 | 170.2 | -152.5 | 0 | 0 | 110.9 | G257 V261 T266 R303 | G257-E259 PolarHBondContact O-N 2.92Å; E259-V261 PolarHBondContact O-N 2.93Å; E259-T266 HydrophobicContact CB-CG2 4.42Å; E259-R303 IonicContact OE1-CZ 3.75Å; E259-R303 IonicContact OE1-NE 3.78Å; E259-R303 IonicContact OE1-NH2 2.86Å; E259-R303 PolarHBondContact OE1-NH2 3.01Å |
| 260 | C | 93.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 46% | 0.461 | C | S | . | . | | | trans | -65.3 | 123.2 | 173.7 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | N262 G264 A265 W271 Y279 C281 K301 | C260-N262 VanDerWaalsContact C-N 3.32Å; C260-N262 PolarHBondContact O-N 3.21Å; C260-G264 VanDerWaalsContact O-CA 3.23Å; C260-G264 WeakPolarHBondContact O-CA 3.31Å; C260-G264 PolarHBondContact O-N 3Å; C260-A265 HydrophobicContact CB-CB 4.48Å; C260-A265 PolarHBondContact N-O 3.09Å; C260-W271 HydrophobicContact CB-CZ3 4.15Å; C260-Y279 WeakPolarHBondContact CA-O 3.47Å; C260-C281 HydrophobicContact CB-CB 4Å; C260-C281 PolarHBondContact SG-N 3.12Å; C260-K301 PolarHBondContact O-NZ 3.44Å |
| 261 | V | 92 | Very high | 80 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -42.2 | -175.6 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | E259 H278 Y279 L280 K301 | E259-V261 PolarHBondContact O-N 2.93Å; V261-H278 HydrophobicContact CG1-CB 3.96Å; V261-H278 HydrophobicContact CG2-CB 3.88Å; V261-Y279 PolarHBondContact N-O 3.02Å; V261-L280 HydrophobicContact CG2-CD2 3.68Å; V261-K301 PolarHBondContact O-NZ 2.96Å |
| 262 | N | 90.6 | Very high | 82.3 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -78.3 | 173.7 | 174.8 | -79 | 0 | 0 | 0 | 111.4 | C260 L280 C284 N294 R295 L297 K301 | C260-N262 VanDerWaalsContact C-N 3.32Å; C260-N262 PolarHBondContact O-N 3.21Å; N262-L280 HydrophobicContact CB-CD2 3.96Å; N262-C284 HydrophobicContact CB-CB 4.17Å; N262-C284 PolarHBondContact OD1-SG 2.99Å; N262-N294 PolarHBondContact ND2-OD1 2.73Å; N262-R295 PolarHBondContact ND2-N 2.93Å; N262-R295 PolarHBondContact ND2-O 3.38Å; N262-L297 WeakPolarHBondContact OD1-CD1 3.32Å; N262-K301 WeakPolarHBondContact O-CD 3.39Å; N262-K301 PolarHBondContact O-NZ 2.92Å |
| 263 | C | 89.9 | Confident | 84.4 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18.9 | -169 | 66.7 | 0 | 0 | 0 | 0 | 116.3 | A265 C281 L297 | C263-A265 VanDerWaalsContact SG-CB 3.56Å; C263-C281 PolarHBondContact SG-SG 3.03Å; C263-L297 HydrophobicContact CB-CD1 3.97Å; C263-L297 HydrophobicContact CB-CD2 4.13Å; C263-L297 HydrophobicContact CB-CG 4.39Å |
| 264 | G | 88.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 12% | 0.124 | 39% | 0.391 | C | S | . | . | | | trans | 81.5 | 7.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C260 T266 | C260-G264 VanDerWaalsContact O-CA 3.23Å; C260-G264 WeakPolarHBondContact O-CA 3.31Å; C260-G264 PolarHBondContact O-N 3Å; G264-T266 PolarHBondContact O-N 2.84Å |
| 265 | A | 90.3 | Very high | 88.2 | Confident | 32 Ų | 32 | 68 Ų | 68 | 26% | 0.264 | 40% | 0.402 | S | S | . | . | | | trans | -60.4 | 130 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C260 C263 W271 C281 | C260-A265 HydrophobicContact CB-CB 4.48Å; C260-A265 PolarHBondContact N-O 3.09Å; C263-A265 VanDerWaalsContact SG-CB 3.56Å; A265-W271 WeakPolarHBondContact O-CH2 3.46Å; A265-C281 HydrophobicContact CB-CB 4.48Å |
| 266 | T | 91.7 | Very high | 89.8 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.46 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -92 | -16.1 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | E259 G264 | E259-T266 HydrophobicContact CB-CG2 4.42Å; G264-T266 PolarHBondContact O-N 2.84Å |
| 267 | S | 90.3 | Very high | 91 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 66% | 0.664 | 40% | 0.396 | S | S | * | . | | | trans | -122.6 | 146.5 | 173.9 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 268 | T | 92.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 20% | 0.202 | 38% | 0.381 | C | S | . | . | | | trans | -162.4 | 146.2 | 177 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | L270 W271 C281 N282 | T268-L270 WeakPolarHBondContact CG2-O 3.28Å; T268-L270 PolarHBondContact O-N 3.23Å; T268-L270 PolarHBondContact OG1-O 3.16Å; T268-W271 HydrophobicContact CG2-CD2 3.45Å; T268-W271 VanDerWaalsContact CG2-CD2 3.45Å; T268-W271 HydrophobicContact CG2-CE3 3.83Å; T268-W271 HydrophobicContact CG2-CG 3.78Å; T268-W271 HydrophobicContact CG2-CH2 4.27Å; T268-W271 HydrophobicContact CG2-CZ2 3.94Å; T268-W271 HydrophobicContact CG2-CZ3 4.22Å; T268-C281 HydrophobicContact CG2-CB 4.18Å; T268-C281 WeakPolarHBondContact OG1-CB 3.44Å; T268-N282 PolarHBondContact OG1-N 3.2Å |
| 269 | P | 92.5 | Very high | 92.1 | Very high | 125 Ų | 125 | 65.9 Ų | 65.9 | 81% | 0.812 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -66.5 | -20.8 | 176.3 | 26.1 | -36 | 0 | 0 | 0 | 113.4 | N282 | P269-N282 HydrophobicContact CG-CB 4.39Š|
| 270 | L | 93.8 | Very high | 92.1 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 45% | 0.45 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -151 | 126.4 | 173.4 | 179.2 | 62.6 | 0 | 0 | 0 | 110.4 | T268 N282 | T268-L270 WeakPolarHBondContact CG2-O 3.28Å; T268-L270 PolarHBondContact O-N 3.23Å; T268-L270 PolarHBondContact OG1-O 3.16Å; L270-N282 HydrophobicContact CB-CB 4.16Å; L270-N282 WeakPolarHBondContact O-CA 3.22Å; L270-N282 WeakPolarHBondContact O-CB 3.46Å; L270-N282 PolarHBondContact O-N 3.06Å |
| 271 | W | 95.3 | Very high | 92.3 | Very high | 62 Ų | 62 | 64 Ų | 64 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.8 | 168.3 | -73.4 | 107.3 | 0 | 0 | 0 | 110.3 | R258 C260 A265 T268 | R258-W271 HydrophobicContact CB-CD2 4.49Å; R258-W271 HydrophobicContact CB-CH2 3.94Å; R258-W271 HydrophobicContact CB-CZ2 3.6Å; R258-W271 WeakPolarHBondContact O-CH2 3.1Å; R258-W271 VanDerWaalsContact O-CZ2 3.25Å; R258-W271 WeakPolarHBondContact O-CZ2 3.44Å; C260-W271 HydrophobicContact CB-CZ3 4.15Å; A265-W271 WeakPolarHBondContact O-CH2 3.46Å; T268-W271 HydrophobicContact CG2-CD2 3.45Å; T268-W271 VanDerWaalsContact CG2-CD2 3.45Å; T268-W271 HydrophobicContact CG2-CE3 3.83Å; T268-W271 HydrophobicContact CG2-CG 3.78Å; T268-W271 HydrophobicContact CG2-CH2 4.27Å; T268-W271 HydrophobicContact CG2-CZ2 3.94Å; T268-W271 HydrophobicContact CG2-CZ3 4.22Å |
| 272 | R | 95 | Very high | 92.4 | Very high | 88 Ų | 88 | 62.6 Ų | 62.6 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 159.6 | 172 | -63.9 | -177.8 | -179.9 | -82.8 | -2.7 | 109.3 | L280 N282 | R272-L280 HydrophobicContact CB-CB 4.44Å; R272-L280 PolarHBondContact N-O 2.96Å; R272-L280 PolarHBondContact O-N 3.06Å; R272-N282 VanDerWaalsContact CZ-OD1 3.28Å; R272-N282 PolarHBondContact NE-OD1 3.46Å; R272-N282 PolarHBondContact NH2-OD1 2.98Å |
| 273 | R | 94.9 | Very high | 92.6 | Very high | 150 Ų | 150 | 63.4 Ų | 63.4 | 57% | 0.566 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.3 | 166.5 | -64 | -174.4 | -175.2 | -80.9 | 1.9 | 110 | G277 H278 Y279 | R273-G277 PolarHBondContact NH1-O 3.29Å; R273-H278 VanDerWaalsContact CA-O 3.29Å; R273-H278 WeakPolarHBondContact CA-O 3.47Å; R273-Y279 VanDerWaalsContact NH1-CE1 3.29Å; R273-Y279 PolarHBondContact NH1-OH 3.15Å; R273-Y279 PolarHBondContact NH2-OH 3.46Å |
| 274 | D | 89.6 | Confident | 92.8 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | | | trans | -83.1 | 176.1 | 159.6 | 68.6 | 10.2 | 0 | 0 | 0 | 110.8 | T276 G277 H278 L280 | D274-T276 PolarHBondContact O-N 3.29Å; D274-T276 VanDerWaalsContact OD1-CA 3.29Å; D274-T276 WeakPolarHBondContact OD1-CA 3.47Å; D274-T276 WeakPolarHBondContact OD1-CB 3.47Å; D274-T276 PolarHBondContact OD1-N 2.96Å; D274-G277 PolarHBondContact O-N 3.43Å; D274-G277 PolarHBondContact OD1-N 3.25Å; D274-H278 PolarHBondContact N-O 2.98Å; D274-H278 IonicContact OD1-CG 3.75Å; D274-H278 PolarHBondContact OD1-N 3.28Å; D274-H278 IonicContact OD1-ND1 3.32Å; D274-H278 PolarHBondContact OD1-ND1 3.47Å; D274-H278 IonicContact OD2-CE1 2.64Å; D274-H278 IonicContact OD2-CG 3.54Å; D274-H278 IonicContact OD2-ND1 2.82Å; D274-H278 PolarHBondContact OD2-ND1 2.95Å; D274-L280 HydrophobicContact CB-CD1 4.12Å |
| 275 | G | 89.2 | Confident | 93.1 | Very high | 92 Ų | 92 | 62.1 Ų | 62.1 | 95% | 0.948 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 276 | T | 91.4 | Very high | 93.3 | Very high | 112 Ų | 112 | 63.9 Ų | 63.9 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 6.4 | 175 | -44.3 | 0 | 0 | 0 | 0 | 110.8 | D274 H278 | D274-T276 PolarHBondContact O-N 3.29Å; D274-T276 VanDerWaalsContact OD1-CA 3.29Å; D274-T276 WeakPolarHBondContact OD1-CA 3.47Å; D274-T276 WeakPolarHBondContact OD1-CB 3.47Å; D274-T276 PolarHBondContact OD1-N 2.96Å; T276-H278 PolarHBondContact O-N 3.39Å |
| 277 | G | 90.6 | Very high | 93.4 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | | | trans | 85.2 | -5.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R273 D274 | R273-G277 PolarHBondContact NH1-O 3.29Å; D274-G277 PolarHBondContact O-N 3.43Å; D274-G277 PolarHBondContact OD1-N 3.25Å |
| 278 | H | 93.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 40% | 0.398 | 35% | 0.348 | S | S | . | . | | | trans | -66.7 | 143.7 | -175.8 | -56.5 | 110 | 0 | 0 | 0 | 112.5 | V261 R273 D274 T276 L280 | V261-H278 HydrophobicContact CG1-CB 3.96Å; V261-H278 HydrophobicContact CG2-CB 3.88Å; R273-H278 VanDerWaalsContact CA-O 3.29Å; R273-H278 WeakPolarHBondContact CA-O 3.47Å; D274-H278 PolarHBondContact N-O 2.98Å; D274-H278 IonicContact OD1-CG 3.75Å; D274-H278 PolarHBondContact OD1-N 3.28Å; D274-H278 IonicContact OD1-ND1 3.32Å; D274-H278 PolarHBondContact OD1-ND1 3.47Å; D274-H278 IonicContact OD2-CE1 2.64Å; D274-H278 IonicContact OD2-CG 3.54Å; D274-H278 IonicContact OD2-ND1 2.82Å; D274-H278 PolarHBondContact OD2-ND1 2.95Å; T276-H278 PolarHBondContact O-N 3.39Å; H278-L280 PolarHBondContact O-N 3.47Å |
| 279 | Y | 94.8 | Very high | 93.6 | Very high | 80 Ų | 80 | 70.2 Ų | 70.2 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.2 | 176 | -62.8 | -74.6 | 0 | 0 | 0 | 112.2 | R258 C260 V261 R273 | R258-Y279 HydrophobicContact CG-CD1 4.45Å; R258-Y279 HydrophobicContact CG-CD2 4.43Å; R258-Y279 HydrophobicContact CG-CE1 4.4Å; R258-Y279 HydrophobicContact CG-CE2 4.38Å; R258-Y279 HydrophobicContact CG-CG 4.47Å; C260-Y279 WeakPolarHBondContact CA-O 3.47Å; V261-Y279 PolarHBondContact N-O 3.02Å; R273-Y279 VanDerWaalsContact NH1-CE1 3.29Å; R273-Y279 PolarHBondContact NH1-OH 3.15Å; R273-Y279 PolarHBondContact NH2-OH 3.46Å |
| 280 | L | 94.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 70.6 Ų | 70.6 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.3 | 170.3 | -67.3 | 176.2 | 0 | 0 | 0 | 109.9 | V261 N262 R272 D274 H278 C284 | V261-L280 HydrophobicContact CG2-CD2 3.68Å; N262-L280 HydrophobicContact CB-CD2 3.96Å; R272-L280 HydrophobicContact CB-CB 4.44Å; R272-L280 PolarHBondContact N-O 2.96Å; R272-L280 PolarHBondContact O-N 3.06Å; D274-L280 HydrophobicContact CB-CD1 4.12Å; H278-L280 PolarHBondContact O-N 3.47Å; L280-C284 HydrophobicContact CD2-CB 4.34Å |
| 281 | C | 95.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 158.7 | 167.8 | 74 | 0 | 0 | 0 | 0 | 110.4 | C260 C263 A265 T268 A283 C284 G285 | C260-C281 HydrophobicContact CB-CB 4Å; C260-C281 PolarHBondContact SG-N 3.12Å; C263-C281 PolarHBondContact SG-SG 3.03Å; A265-C281 HydrophobicContact CB-CB 4.48Å; T268-C281 HydrophobicContact CG2-CB 4.18Å; T268-C281 WeakPolarHBondContact OG1-CB 3.44Å; C281-A283 VanDerWaalsContact C-N 3.28Å; C281-A283 PolarHBondContact O-N 3.22Å; C281-A283 VanDerWaalsContact O-N 3.16Å; C281-C284 PolarHBondContact O-N 2.86Å; C281-C284 PolarHBondContact SG-SG 3.42Å; C281-G285 PolarHBondContact O-N 3.2Å |
| 282 | N | 95.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 21% | 0.214 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -48.7 | -48.2 | -176 | -170.2 | 29.8 | 0 | 0 | 0 | 112.7 | T268 P269 L270 R272 G285 L286 | T268-N282 PolarHBondContact OG1-N 3.2Å; P269-N282 HydrophobicContact CG-CB 4.39Å; L270-N282 HydrophobicContact CB-CB 4.16Å; L270-N282 WeakPolarHBondContact O-CA 3.22Å; L270-N282 WeakPolarHBondContact O-CB 3.46Å; L270-N282 PolarHBondContact O-N 3.06Å; R272-N282 VanDerWaalsContact CZ-OD1 3.28Å; R272-N282 PolarHBondContact NE-OD1 3.46Å; R272-N282 PolarHBondContact NH2-OD1 2.98Å; N282-G285 PolarHBondContact O-N 2.9Å; N282-L286 WeakPolarHBondContact O-CB 3.49Å; N282-L286 VanDerWaalsContact O-CG 3.28Å; N282-L286 WeakPolarHBondContact O-CG 3.48Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 WeakPolarHBondContact OD1-CD1 3.47Å |
| 283 | A | 94.3 | Very high | 92.9 | Very high | 42 Ų | 42 | 70.5 Ų | 70.5 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C281 Y287 | C281-A283 VanDerWaalsContact C-N 3.28Å; C281-A283 PolarHBondContact O-N 3.22Å; C281-A283 VanDerWaalsContact O-N 3.16Å; A283-Y287 VanDerWaalsContact O-CB 3.31Å; A283-Y287 WeakPolarHBondContact O-CB 3.5Å; A283-Y287 PolarHBondContact O-N 3.12Å |
| 284 | C | 94.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -74.4 | -35.7 | 178.4 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | N262 L280 C281 H288 | N262-C284 HydrophobicContact CB-CB 4.17Å; N262-C284 PolarHBondContact OD1-SG 2.99Å; L280-C284 HydrophobicContact CD2-CB 4.34Å; C281-C284 PolarHBondContact O-N 2.86Å; C281-C284 PolarHBondContact SG-SG 3.42Å; C284-H288 WeakPolarHBondContact O-CB 3.38Å; C284-H288 PolarHBondContact O-N 2.88Å |
| 285 | G | 94.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 71.9 Ų | 71.9 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.1 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C281 N282 K289 | C281-G285 PolarHBondContact O-N 3.2Å; N282-G285 PolarHBondContact O-N 2.9Å; G285-K289 WeakPolarHBondContact O-CB 3.17Å; G285-K289 PolarHBondContact O-N 3.49Å |
| 286 | L | 94 | Very high | 92.4 | Very high | 68 Ų | 68 | 71.5 Ų | 71.5 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 172.7 | -74.6 | 170.4 | 0 | 0 | 0 | 111.5 | N282 H288 K289 M290 | N282-L286 WeakPolarHBondContact O-CB 3.49Å; N282-L286 VanDerWaalsContact O-CG 3.28Å; N282-L286 WeakPolarHBondContact O-CG 3.48Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 WeakPolarHBondContact OD1-CD1 3.47Å; L286-H288 PolarHBondContact O-N 2.85Å; L286-K289 PolarHBondContact O-N 2.94Å; L286-M290 HydrophobicContact CB-CE 4.12Å; L286-M290 WeakPolarHBondContact O-CE 3.19Å; L286-M290 PolarHBondContact O-N 3.12Å |
| 287 | Y | 94.6 | Very high | 91.9 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 175.9 | -170.3 | -80.5 | 0 | 0 | 0 | 111.5 | A283 K289 M290 N291 Q293 R295 P296 | A283-Y287 VanDerWaalsContact O-CB 3.31Å; A283-Y287 WeakPolarHBondContact O-CB 3.5Å; A283-Y287 PolarHBondContact O-N 3.12Å; Y287-K289 VanDerWaalsContact C-N 3.32Å; Y287-K289 PolarHBondContact O-N 2.83Å; Y287-M290 PolarHBondContact O-N 2.99Å; Y287-N291 HydrophobicContact CD1-CB 4.16Å; Y287-N291 VanDerWaalsContact CD2-OD1 3.27Å; Y287-N291 WeakPolarHBondContact CD2-OD1 3.27Å; Y287-N291 HydrophobicContact CE1-CB 3.79Å; Y287-N291 WeakPolarHBondContact CE2-OD1 3.38Å; Y287-N291 VanDerWaalsContact CZ-OD1 3.27Å; Y287-N291 WeakPolarHBondContact O-CB 3.47Å; Y287-N291 PolarHBondContact O-N 3.28Å; Y287-N291 PolarHBondContact O-OD1 3.06Å; Y287-Q293 WeakPolarHBondContact CD1-O 3.23Å; Y287-R295 HydrophobicContact CD1-CB 3.73Å; Y287-R295 HydrophobicContact CD1-CG 4.19Å; Y287-R295 HydrophobicContact CD2-CB 4.37Å; Y287-R295 HydrophobicContact CD2-CG 3.91Å; Y287-R295 HydrophobicContact CE1-CB 4.33Å; Y287-R295 HydrophobicContact CE2-CG 4.42Å; Y287-R295 HydrophobicContact CG-CB 3.75Å; Y287-R295 HydrophobicContact CG-CG 3.79Å; Y287-P296 VanDerWaalsContact CZ-CD 3.42Å; Y287-P296 WeakPolarHBondContact OH-CD 3.46Å |
| 288 | H | 92.8 | Very high | 91.3 | Very high | 82 Ų | 82 | 76.4 Ų | 76.4 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 177.8 | -168.9 | -85.2 | 0 | 0 | 0 | 112.6 | C284 L286 G292 Q293 | C284-H288 WeakPolarHBondContact O-CB 3.38Å; C284-H288 PolarHBondContact O-N 2.88Å; L286-H288 PolarHBondContact O-N 2.85Å; H288-G292 WeakPolarHBondContact O-CA 3.47Å; H288-G292 PolarHBondContact O-N 2.89Å; H288-G292 VanDerWaalsContact O-N 3.09Å; H288-Q293 WeakPolarHBondContact CA-O 3.33Å; H288-Q293 PolarHBondContact CD2-O 3.05Å |
| 289 | K | 92.6 | Very high | 90.2 | Very high | 189 Ų | 189 | 80.9 Ų | 80.9 | 82% | 0.822 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 175.5 | -171.5 | 179.3 | 178.6 | -174.6 | 0 | 112.4 | G285 L286 Y287 | G285-K289 WeakPolarHBondContact O-CB 3.17Å; G285-K289 PolarHBondContact O-N 3.49Å; L286-K289 PolarHBondContact O-N 2.94Å; Y287-K289 VanDerWaalsContact C-N 3.32Å; Y287-K289 PolarHBondContact O-N 2.83Å |
| 290 | M | 89.7 | Confident | 88.7 | Confident | 134 Ų | 134 | 82.6 Ų | 82.6 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -85.6 | -33.4 | -175.5 | 77.2 | -177.9 | 72.3 | 0 | 0 | 114 | L286 Y287 | L286-M290 HydrophobicContact CB-CE 4.12Å; L286-M290 WeakPolarHBondContact O-CE 3.19Å; L286-M290 PolarHBondContact O-N 3.12Å; Y287-M290 PolarHBondContact O-N 2.99Å |
| 291 | N | 92.8 | Very high | 87.2 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -104.8 | -9.2 | -175.8 | -60.8 | 110.9 | 0 | 0 | 0 | 114.1 | Y287 Q293 | Y287-N291 HydrophobicContact CD1-CB 4.16Å; Y287-N291 VanDerWaalsContact CD2-OD1 3.27Å; Y287-N291 WeakPolarHBondContact CD2-OD1 3.27Å; Y287-N291 HydrophobicContact CE1-CB 3.79Å; Y287-N291 WeakPolarHBondContact CE2-OD1 3.38Å; Y287-N291 VanDerWaalsContact CZ-OD1 3.27Å; Y287-N291 WeakPolarHBondContact O-CB 3.47Å; Y287-N291 PolarHBondContact O-N 3.28Å; Y287-N291 PolarHBondContact O-OD1 3.06Å; N291-Q293 HydrophobicContact CB-CB 4.47Å; N291-Q293 PolarHBondContact O-N 3.49Å; N291-Q293 VanDerWaalsContact O-N 3.08Å |
| 292 | G | 89.8 | Confident | 85.5 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 59.7 | 19.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | H288 | H288-G292 WeakPolarHBondContact O-CA 3.47Å; H288-G292 PolarHBondContact O-N 2.89Å; H288-G292 VanDerWaalsContact O-N 3.09Å |
| 293 | Q | 90.4 | Very high | 83.8 | Confident | 108 Ų | 108 | 100.4 Ų | 100.4 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -136.3 | 161.2 | -173.4 | -73 | -61 | -77.3 | 0 | 0 | 111.2 | Y287 H288 N291 | Y287-Q293 WeakPolarHBondContact CD1-O 3.23Å; H288-Q293 WeakPolarHBondContact CA-O 3.33Å; H288-Q293 PolarHBondContact CD2-O 3.05Å; N291-Q293 HydrophobicContact CB-CB 4.47Å; N291-Q293 PolarHBondContact O-N 3.49Å; N291-Q293 VanDerWaalsContact O-N 3.08Å |
| 294 | N | 88.4 | Confident | 82 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 134.9 | 172.1 | -91.9 | -75.3 | 0 | 0 | 0 | 110.6 | N262 | N262-N294 PolarHBondContact ND2-OD1 2.73Š|
| 295 | R | 89.1 | Confident | 80.3 | Confident | 114 Ų | 114 | 105.7 Ų | 105.7 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 125.2 | 176.4 | -168.9 | 177.5 | -175.5 | -146.4 | 1.3 | 110.2 | N262 Y287 L297 | N262-R295 PolarHBondContact ND2-N 2.93Å; N262-R295 PolarHBondContact ND2-O 3.38Å; Y287-R295 HydrophobicContact CD1-CB 3.73Å; Y287-R295 HydrophobicContact CD1-CG 4.19Å; Y287-R295 HydrophobicContact CD2-CB 4.37Å; Y287-R295 HydrophobicContact CD2-CG 3.91Å; Y287-R295 HydrophobicContact CE1-CB 4.33Å; Y287-R295 HydrophobicContact CE2-CG 4.42Å; Y287-R295 HydrophobicContact CG-CB 3.75Å; Y287-R295 HydrophobicContact CG-CG 3.79Å; R295-L297 WeakPolarHBondContact O-CD1 3.43Å |
| 296 | P | 85.4 | Confident | 78.5 | Confident | 85 Ų | 85 | 108.5 Ų | 108.5 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 132.4 | 175.2 | 27.1 | -32.8 | 0 | 0 | 0 | 109.8 | Y287 | Y287-P296 VanDerWaalsContact CZ-CD 3.42Å; Y287-P296 WeakPolarHBondContact OH-CD 3.46Å |
| 297 | L | 81.8 | Confident | 76.6 | Confident | 67 Ų | 67 | 108.2 Ų | 108.2 | 35% | 0.351 | 55% | 0.551 | S | S | . | * | | | trans | -97 | 107.3 | 177 | -95.5 | 73.3 | 0 | 0 | 0 | 109.7 | N262 C263 R295 K299 K301 | N262-L297 WeakPolarHBondContact OD1-CD1 3.32Å; C263-L297 HydrophobicContact CB-CD1 3.97Å; C263-L297 HydrophobicContact CB-CD2 4.13Å; C263-L297 HydrophobicContact CB-CG 4.39Å; R295-L297 WeakPolarHBondContact O-CD1 3.43Å; L297-K299 PolarHBondContact O-N 2.85Å; L297-K301 HydrophobicContact CD2-CB 3.96Å |
| 298 | I | 76.9 | Confident | 74.8 | Confident | 180 Ų | 180 | 114.8 Ų | 114.8 | 92% | 0.923 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -56.7 | -31.1 | 177.3 | -59.8 | 170.8 | 0 | 0 | 0 | 111.7 | | |
| 299 | K | 71.3 | Confident | 73.6 | Confident | 180 Ų | 180 | 117 Ų | 117 | 78% | 0.783 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -116.4 | 123.9 | 174.2 | -153.4 | 157.6 | -169.6 | 164.9 | 0 | 109.8 | L297 K301 | L297-K299 PolarHBondContact O-N 2.85Å; K299-K301 PolarHBondContact O-N 3.09Å |
| 300 | P | 62.8 | Low | 72.5 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 76% | 0.76 | 58% | 0.579 | S | S | * | * | | | trans | -53.9 | 134.3 | -179 | -29.6 | 36 | 0 | 0 | 0 | 113.1 | R302 | P300-R302 PolarHBondContact O-N 2.87Š|
| 301 | K | 63.7 | Low | 72.2 | Confident | 69 Ų | 69 | 110.1 Ų | 110.1 | 30% | 0.3 | 59% | 0.588 | S | S | . | * | | | trans | -60.7 | 93.7 | -174.9 | 177.5 | 169.8 | 168.8 | 163.9 | 0 | 112.1 | C260 V261 N262 L297 K299 R303 | C260-K301 PolarHBondContact O-NZ 3.44Å; V261-K301 PolarHBondContact O-NZ 2.96Å; N262-K301 WeakPolarHBondContact O-CD 3.39Å; N262-K301 PolarHBondContact O-NZ 2.92Å; L297-K301 HydrophobicContact CD2-CB 3.96Å; K299-K301 PolarHBondContact O-N 3.09Å; K301-R303 HydrophobicContact CG-CG 4.26Å; K301-R303 PolarHBondContact O-N 3.39Å |
| 302 | R | 59.9 | Low | 72.2 | Confident | 218 Ų | 218 | 108 Ų | 108 | 82% | 0.823 | 58% | 0.578 | S | S | * | * | | | trans | -62 | 101.4 | 158.2 | -88 | -169.9 | 69.8 | 132.1 | -3.4 | 107.6 | P300 L304 | P300-R302 PolarHBondContact O-N 2.87Å; R302-L304 PolarHBondContact O-N 2.78Å; R302-L304 VanDerWaalsContact O-N 3.12Å |
| 303 | R | 60.5 | Low | 72.5 | Confident | 143 Ų | 143 | 108.4 Ų | 108.4 | 54% | 0.54 | 57% | 0.573 | S | S | . | * | | | trans | -64.3 | 113.5 | 171 | -64.9 | -164.9 | 75.2 | -169.2 | 5.5 | 108.8 | E259 K301 S305 A306 | E259-R303 IonicContact OE1-CZ 3.75Å; E259-R303 IonicContact OE1-NE 3.78Å; E259-R303 IonicContact OE1-NH2 2.86Å; E259-R303 PolarHBondContact OE1-NH2 3.01Å; K301-R303 HydrophobicContact CG-CG 4.26Å; K301-R303 PolarHBondContact O-N 3.39Å; R303-S305 WeakPolarHBondContact CB-OG 3.47Å; R303-S305 PolarHBondContact O-N 2.89Å; R303-A306 PolarHBondContact O-N 3.19Å |
| 304 | L | 57.1 | Low | 72.8 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -59.9 | -17.8 | 179.1 | -68 | 165.2 | 0 | 0 | 0 | 112.7 | R302 A306 A307 R308 | R302-L304 PolarHBondContact O-N 2.78Å; R302-L304 VanDerWaalsContact O-N 3.12Å; L304-A306 PolarHBondContact O-N 3.31Å; L304-A306 VanDerWaalsContact O-N 3.12Å; L304-A307 PolarHBondContact O-N 3.19Å; L304-R308 PolarHBondContact O-N 3.2Å |
| 305 | S | 58.3 | Low | 73.2 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -55.9 | -20.5 | 169.2 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | R303 | R303-S305 WeakPolarHBondContact CB-OG 3.47Å; R303-S305 PolarHBondContact O-N 2.89Å |
| 306 | A | 57.1 | Low | 73.6 | Confident | 71 Ų | 71 | 96.8 Ų | 96.8 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -80.6 | -25.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R303 L304 | R303-A306 PolarHBondContact O-N 3.19Å; L304-A306 PolarHBondContact O-N 3.31Å; L304-A306 VanDerWaalsContact O-N 3.12Å |
| 307 | A | 53.2 | Low | 74.1 | Confident | 61 Ų | 61 | 93 Ų | 93 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -33.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L304 R309 | L304-A307 PolarHBondContact O-N 3.19Å; A307-R309 PolarHBondContact O-N 2.82Å |
| 308 | R | 56.7 | Low | 74.8 | Confident | 203 Ų | 203 | 95 Ų | 95 | 77% | 0.766 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 30.3 | 178.4 | -63.6 | -161.5 | -76 | -177.1 | -3.1 | 114.2 | L304 | L304-R308 PolarHBondContact O-N 3.2Š|
| 309 | R | 67.2 | Low | 75.6 | Confident | 128 Ų | 128 | 87.9 Ų | 87.9 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143 | 39.4 | -179.9 | -69.1 | -167.6 | 179.6 | -141.9 | -1.8 | 112.4 | A307 T312 W325 | A307-R309 PolarHBondContact O-N 2.82Å; R309-T312 PolarHBondContact O-N 3.31Å; R309-T312 PolarHBondContact O-OG1 3.13Å; R309-W325 VanDerWaalsContact CD-CD1 3.41Å; R309-W325 VanDerWaalsContact NH1-CB 3.33Å |
| 310 | A | 69.6 | Low | 76.7 | Confident | 97 Ų | 97 | 83.8 Ų | 83.8 | 80% | 0.802 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 143.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T312 | A310-T312 VanDerWaalsContact C-N 3.26Å; A310-T312 PolarHBondContact O-N 2.72Å |
| 311 | G | 84.9 | Confident | 78 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 85% | 0.845 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -9.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | S313 | G311-S313 PolarHBondContact O-N 3.19Š|
| 312 | T | 93.1 | Very high | 79.4 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 21% | 0.209 | 45% | 0.448 | C | S | . | . | | | trans | -76.1 | 120.4 | 175 | -49.3 | 0 | 0 | 0 | 0 | 110.6 | R309 A310 T320 W325 P333 | R309-T312 PolarHBondContact O-N 3.31Å; R309-T312 PolarHBondContact O-OG1 3.13Å; A310-T312 VanDerWaalsContact C-N 3.26Å; A310-T312 PolarHBondContact O-N 2.72Å; T312-T320 WeakPolarHBondContact O-CA 3.31Å; T312-W325 HydrophobicContact CG2-CD2 3.84Å; T312-W325 HydrophobicContact CG2-CE3 3.9Å; T312-W325 HydrophobicContact CG2-CH2 3.74Å; T312-W325 HydrophobicContact CG2-CZ2 3.65Å; T312-W325 HydrophobicContact CG2-CZ3 3.85Å; T312-W325 VanDerWaalsContact O-CH2 3.31Å; T312-W325 WeakPolarHBondContact O-CH2 3.42Å; T312-W325 VanDerWaalsContact O-CZ2 3.28Å; T312-W325 WeakPolarHBondContact O-CZ2 3.49Å; T312-P333 HydrophobicContact CG2-CB 3.78Å; T312-P333 HydrophobicContact CG2-CG 4.28Å |
| 313 | S | 95.2 | Very high | 80.8 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | | | trans | -114.5 | 163.7 | 172.6 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | G311 W325 P333 | G311-S313 PolarHBondContact O-N 3.19Å; S313-W325 WeakPolarHBondContact O-CZ3 3.13Å; S313-P333 WeakPolarHBondContact O-CG 3.29Å |
| 314 | C | 96.7 | Very high | 82.3 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.007 | 44% | 0.436 | C | S | . | . | | | trans | -88.4 | 119 | 176.2 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | N316 C317 Q318 T319 W325 P333 C335 | C314-N316 PolarHBondContact O-N 3.03Å; C314-N316 VanDerWaalsContact O-N 3.08Å; C314-C317 PolarHBondContact O-N 3.06Å; C314-Q318 WeakPolarHBondContact O-CA 3.43Å; C314-Q318 PolarHBondContact O-N 3.26Å; C314-T319 HydrophobicContact CB-CG2 3.97Å; C314-T319 WeakPolarHBondContact CB-O 3.25Å; C314-T319 PolarHBondContact N-O 2.85Å; C314-W325 HydrophobicContact CB-CZ3 4.22Å; C314-P333 WeakPolarHBondContact CA-O 3.36Å; C314-C335 HydrophobicContact CB-CB 4Å; C314-C335 PolarHBondContact SG-N 2.92Å |
| 315 | A | 97.3 | Very high | 84.1 | Confident | 54 Ų | 54 | 69 Ų | 69 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -34.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D332 P333 V334 | A315-D332 HydrophobicContact CB-CB 3.92Å; A315-P333 PolarHBondContact N-O 2.93Å; A315-V334 HydrophobicContact CB-CG1 4.29Å |
| 316 | N | 97.1 | Very high | 85.9 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 17% | 0.166 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -29.7 | -178 | 164.3 | -101.1 | 0 | 0 | 0 | 115.3 | C314 C338 R349 | C314-N316 PolarHBondContact O-N 3.03Å; C314-N316 VanDerWaalsContact O-N 3.08Å; N316-C338 HydrophobicContact CB-CB 4.25Å; N316-C338 WeakPolarHBondContact OD1-CB 3.23Å; N316-C338 PolarHBondContact OD1-SG 3.32Å; N316-R349 PolarHBondContact ND2-O 3.28Å; N316-R349 PolarHBondContact OD1-O 3.45Å |
| 317 | C | 96.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.034 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.7 | 12.1 | -172.6 | 75 | 0 | 0 | 0 | 0 | 115.4 | C314 T319 C338 L351 K354 | C314-C317 PolarHBondContact O-N 3.06Å; C317-T319 PolarHBondContact O-N 2.99Å; C317-C338 PolarHBondContact SG-SG 3.48Å; C317-L351 HydrophobicContact CB-CD2 3.88Å; C317-K354 PolarHBondContact O-NZ 3.37Å; C317-K354 VanDerWaalsContact O-NZ 3.14Å |
| 318 | Q | 95.8 | Very high | 89.7 | Confident | 109 Ų | 109 | 75.7 Ų | 75.7 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | | | trans | 59.2 | -0.5 | 172.1 | -55.9 | 74.2 | 35.4 | 0 | 0 | 115.8 | C314 T320 | C314-Q318 WeakPolarHBondContact O-CA 3.43Å; C314-Q318 PolarHBondContact O-N 3.26Å; Q318-T320 PolarHBondContact O-N 3.39Å |
| 319 | T | 93.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 19% | 0.19 | 42% | 0.415 | C | S | . | . | | | trans | -61.2 | 131 | 177.1 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | C314 C317 T321 W325 C335 | C314-T319 HydrophobicContact CB-CG2 3.97Å; C314-T319 WeakPolarHBondContact CB-O 3.25Å; C314-T319 PolarHBondContact N-O 2.85Å; C317-T319 PolarHBondContact O-N 2.99Å; T319-T321 PolarHBondContact OG1-N 3.25Å; T319-T321 PolarHBondContact OG1-O 3.41Å; T319-W325 WeakPolarHBondContact O-CH2 3.46Å; T319-C335 HydrophobicContact CG2-CB 3.73Å |
| 320 | T | 93.2 | Very high | 92.9 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 58% | 0.577 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -87.6 | -9.6 | 173.2 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | T312 Q318 | T312-T320 WeakPolarHBondContact O-CA 3.31Å; Q318-T320 PolarHBondContact O-N 3.39Å |
| 321 | T | 91.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | | | trans | -114.8 | 129.5 | -178.6 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | T319 | T319-T321 PolarHBondContact OG1-N 3.25Å; T319-T321 PolarHBondContact OG1-O 3.41Å |
| 322 | T | 92.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 17% | 0.172 | 38% | 0.378 | C | S | . | . | | | trans | -155.9 | 156.7 | 176 | -163.3 | 0 | 0 | 0 | 0 | 112.3 | L324 W325 C335 N336 | T322-L324 WeakPolarHBondContact CG2-O 3.4Å; T322-L324 PolarHBondContact OG1-O 3.42Å; T322-W325 HydrophobicContact CG2-CD2 3.52Å; T322-W325 HydrophobicContact CG2-CE3 3.97Å; T322-W325 HydrophobicContact CG2-CG 3.79Å; T322-W325 HydrophobicContact CG2-CH2 4.38Å; T322-W325 HydrophobicContact CG2-CZ2 4Å; T322-W325 HydrophobicContact CG2-CZ3 4.37Å; T322-C335 HydrophobicContact CG2-CB 4.34Å; T322-C335 WeakPolarHBondContact OG1-CB 3.45Å; T322-N336 PolarHBondContact OG1-N 3.03Å; T322-N336 VanDerWaalsContact OG1-N 3.09Å |
| 323 | T | 90.3 | Very high | 94.8 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 64% | 0.638 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -77.7 | -22.2 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | I358 | T323-I358 HydrophobicContact CG2-CG2 3.59Š|
| 324 | L | 91.9 | Very high | 94.9 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -156.9 | 128.6 | 174 | 173.5 | 63.7 | 0 | 0 | 0 | 109.2 | T322 N336 | T322-L324 WeakPolarHBondContact CG2-O 3.4Å; T322-L324 PolarHBondContact OG1-O 3.42Å; L324-N336 HydrophobicContact CB-CB 4.08Å; L324-N336 WeakPolarHBondContact O-CA 3.37Å; L324-N336 WeakPolarHBondContact O-CB 3.39Å; L324-N336 PolarHBondContact O-N 3.23Å |
| 325 | W | 94.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 65.9 Ų | 65.9 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 138.5 | 167.5 | -71.5 | 106.1 | 0 | 0 | 0 | 110.3 | R309 T312 S313 C314 T319 T322 P333 | R309-W325 VanDerWaalsContact CD-CD1 3.41Å; R309-W325 VanDerWaalsContact NH1-CB 3.33Å; T312-W325 HydrophobicContact CG2-CD2 3.84Å; T312-W325 HydrophobicContact CG2-CE3 3.9Å; T312-W325 HydrophobicContact CG2-CH2 3.74Å; T312-W325 HydrophobicContact CG2-CZ2 3.65Å; T312-W325 HydrophobicContact CG2-CZ3 3.85Å; T312-W325 VanDerWaalsContact O-CH2 3.31Å; T312-W325 WeakPolarHBondContact O-CH2 3.42Å; T312-W325 VanDerWaalsContact O-CZ2 3.28Å; T312-W325 WeakPolarHBondContact O-CZ2 3.49Å; S313-W325 WeakPolarHBondContact O-CZ3 3.13Å; C314-W325 HydrophobicContact CB-CZ3 4.22Å; T319-W325 WeakPolarHBondContact O-CH2 3.46Å; T322-W325 HydrophobicContact CG2-CD2 3.52Å; T322-W325 HydrophobicContact CG2-CE3 3.97Å; T322-W325 HydrophobicContact CG2-CG 3.79Å; T322-W325 HydrophobicContact CG2-CH2 4.38Å; T322-W325 HydrophobicContact CG2-CZ2 4Å; T322-W325 HydrophobicContact CG2-CZ3 4.37Å; W325-P333 HydrophobicContact CE3-CB 4.18Å; W325-P333 HydrophobicContact CZ3-CB 4.34Å |
| 326 | R | 95.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 64.9 Ų | 64.9 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 174 | 174.1 | -64.5 | 178.6 | 177.4 | -81.6 | -4.8 | 108.9 | V334 N336 | R326-V334 HydrophobicContact CB-CG2 3.88Å; R326-V334 PolarHBondContact N-O 3.47Å; R326-V334 PolarHBondContact O-N 3.06Å; R326-N336 PolarHBondContact NE-OD1 3.32Å; R326-N336 PolarHBondContact NH2-OD1 2.82Å |
| 327 | R | 96.4 | Very high | 94.9 | Very high | 189 Ų | 189 | 65.4 Ų | 65.4 | 71% | 0.713 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 150.8 | 164 | -63.5 | -175.1 | -176.8 | -87.9 | 11.7 | 110.1 | G331 D332 | R327-G331 VanDerWaalsContact CD-O 3.23Å; R327-G331 WeakPolarHBondContact CD-O 3.45Å; R327-G331 VanDerWaalsContact CG-O 3.27Å; R327-G331 WeakPolarHBondContact CG-O 3.44Å; R327-G331 PolarHBondContact NH1-O 2.98Å; R327-D332 VanDerWaalsContact CA-O 3.22Å; R327-D332 WeakPolarHBondContact CA-O 3.31Å |
| 328 | N | 95.6 | Very high | 95 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | | | trans | -81.4 | -170.6 | 163.3 | 66.3 | -2.3 | 0 | 0 | 0 | 110 | N330 G331 D332 V334 | N328-N330 VanDerWaalsContact C-N 3.34Å; N328-N330 PolarHBondContact OD1-N 3.34Å; N328-G331 PolarHBondContact O-N 3.32Å; N328-G331 PolarHBondContact OD1-N 3Å; N328-D332 PolarHBondContact N-O 2.89Å; N328-D332 PolarHBondContact ND2-OD2 3.05Å; N328-D332 PolarHBondContact OD1-N 2.86Å; N328-D332 PolarHBondContact OD1-OD2 3.16Å; N328-V334 HydrophobicContact CB-CG1 4.17Å |
| 329 | A | 95.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 61 Ų | 61 | 84% | 0.835 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G331 | A329-G331 PolarHBondContact O-N 2.84Š|
| 330 | N | 95.4 | Very high | 95.2 | Very high | 135 Ų | 135 | 63.3 Ų | 63.3 | 72% | 0.722 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.2 | 178.8 | -48 | 60.6 | 0 | 0 | 0 | 113.5 | N328 D332 | N328-N330 VanDerWaalsContact C-N 3.34Å; N328-N330 PolarHBondContact OD1-N 3.34Å; N330-D332 WeakPolarHBondContact CB-OD2 3.28Å |
| 331 | G | 95 | Very high | 95.5 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | | | trans | 96.9 | -9.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R327 N328 A329 | R327-G331 VanDerWaalsContact CD-O 3.23Å; R327-G331 WeakPolarHBondContact CD-O 3.45Å; R327-G331 VanDerWaalsContact CG-O 3.27Å; R327-G331 WeakPolarHBondContact CG-O 3.44Å; R327-G331 PolarHBondContact NH1-O 2.98Å; N328-G331 PolarHBondContact O-N 3.32Å; N328-G331 PolarHBondContact OD1-N 3Å; A329-G331 PolarHBondContact O-N 2.84Å |
| 332 | D | 95.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | | | trans | -62 | 147.3 | -176.1 | -52.7 | -54 | 0 | 0 | 0 | 113.6 | A315 R327 N328 N330 V334 | A315-D332 HydrophobicContact CB-CB 3.92Å; R327-D332 VanDerWaalsContact CA-O 3.22Å; R327-D332 WeakPolarHBondContact CA-O 3.31Å; N328-D332 PolarHBondContact N-O 2.89Å; N328-D332 PolarHBondContact ND2-OD2 3.05Å; N328-D332 PolarHBondContact OD1-N 2.86Å; N328-D332 PolarHBondContact OD1-OD2 3.16Å; N330-D332 WeakPolarHBondContact CB-OD2 3.28Å; D332-V334 PolarHBondContact O-N 3.06Å |
| 333 | P | 96.4 | Very high | 96 | Very high | 49 Ų | 49 | 68.4 Ų | 68.4 | 32% | 0.318 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 123.3 | 172.3 | 27.8 | -34.1 | 0 | 0 | 0 | 111.8 | T312 S313 C314 A315 W325 | T312-P333 HydrophobicContact CG2-CB 3.78Å; T312-P333 HydrophobicContact CG2-CG 4.28Å; S313-P333 WeakPolarHBondContact O-CG 3.29Å; C314-P333 WeakPolarHBondContact CA-O 3.36Å; A315-P333 PolarHBondContact N-O 2.93Å; W325-P333 HydrophobicContact CE3-CB 4.18Å; W325-P333 HydrophobicContact CZ3-CB 4.34Å |
| 334 | V | 97.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.5 | 171.1 | -59 | 0 | 0 | 0 | 0 | 111.5 | A315 R326 N328 D332 | A315-V334 HydrophobicContact CB-CG1 4.29Å; R326-V334 HydrophobicContact CB-CG2 3.88Å; R326-V334 PolarHBondContact N-O 3.47Å; R326-V334 PolarHBondContact O-N 3.06Å; N328-V334 HydrophobicContact CB-CG1 4.17Å; D332-V334 PolarHBondContact O-N 3.06Å |
| 335 | C | 96.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 160 | 179.8 | 90.2 | 0 | 0 | 0 | 0 | 111.3 | C314 T319 T322 A337 C338 G339 | C314-C335 HydrophobicContact CB-CB 4Å; C314-C335 PolarHBondContact SG-N 2.92Å; T319-C335 HydrophobicContact CG2-CB 3.73Å; T322-C335 HydrophobicContact CG2-CB 4.34Å; T322-C335 WeakPolarHBondContact OG1-CB 3.45Å; C335-A337 PolarHBondContact O-N 3.5Å; C335-A337 VanDerWaalsContact O-N 3.16Å; C335-C338 PolarHBondContact O-N 2.92Å; C335-C338 PolarHBondContact SG-SG 3.01Å; C335-G339 PolarHBondContact O-N 3.43Å |
| 336 | N | 97.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 73.9 Ų | 73.9 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.4 | -33.8 | -177.2 | -175.4 | 63.6 | 0 | 0 | 0 | 113.7 | T322 L324 R326 L340 | T322-N336 PolarHBondContact OG1-N 3.03Å; T322-N336 VanDerWaalsContact OG1-N 3.09Å; L324-N336 HydrophobicContact CB-CB 4.08Å; L324-N336 WeakPolarHBondContact O-CA 3.37Å; L324-N336 WeakPolarHBondContact O-CB 3.39Å; L324-N336 PolarHBondContact O-N 3.23Å; R326-N336 PolarHBondContact NE-OD1 3.32Å; R326-N336 PolarHBondContact NH2-OD1 2.82Å; N336-L340 WeakPolarHBondContact ND2-CD1 3.16Å; N336-L340 WeakPolarHBondContact O-CB 3.27Å; N336-L340 WeakPolarHBondContact O-CD1 3.32Å; N336-L340 WeakPolarHBondContact O-CG 3.48Å; N336-L340 PolarHBondContact O-N 3.18Å |
| 337 | A | 97.2 | Very high | 96.9 | Very high | 42 Ų | 42 | 74.4 Ų | 74.4 | 35% | 0.347 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.6 | -45.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C335 L340 Y341 | C335-A337 PolarHBondContact O-N 3.5Å; C335-A337 VanDerWaalsContact O-N 3.16Å; A337-L340 PolarHBondContact O-N 3.37Å; A337-Y341 WeakPolarHBondContact O-CB 3.38Å; A337-Y341 PolarHBondContact O-N 2.85Å |
| 338 | C | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.034 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.4 | -45.3 | -178.7 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | N316 C317 C335 L340 Y341 F342 R349 | N316-C338 HydrophobicContact CB-CB 4.25Å; N316-C338 WeakPolarHBondContact OD1-CB 3.23Å; N316-C338 PolarHBondContact OD1-SG 3.32Å; C317-C338 PolarHBondContact SG-SG 3.48Å; C335-C338 PolarHBondContact O-N 2.92Å; C335-C338 PolarHBondContact SG-SG 3.01Å; C338-L340 PolarHBondContact O-N 3.06Å; C338-Y341 PolarHBondContact O-N 2.91Å; C338-F342 PolarHBondContact O-N 2.95Å; C338-R349 HydrophobicContact CB-CB 4.31Å |
| 339 | G | 97.5 | Very high | 97 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.5 | -13.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C335 | C335-G339 PolarHBondContact O-N 3.43Å |
| 340 | L | 97.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -88.3 | -40.4 | 167.8 | -75.4 | 174.8 | 0 | 0 | 0 | 111.9 | N336 A337 C338 K343 L344 | N336-L340 WeakPolarHBondContact ND2-CD1 3.16Å; N336-L340 WeakPolarHBondContact O-CB 3.27Å; N336-L340 WeakPolarHBondContact O-CD1 3.32Å; N336-L340 WeakPolarHBondContact O-CG 3.48Å; N336-L340 PolarHBondContact O-N 3.18Å; A337-L340 PolarHBondContact O-N 3.37Å; C338-L340 PolarHBondContact O-N 3.06Å; L340-K343 PolarHBondContact O-N 3.3Å; L340-L344 PolarHBondContact O-N 2.64Å; L340-L344 VanDerWaalsContact O-N 3.15Å |
| 341 | Y | 98.2 | Very high | 97.1 | Very high | 43 Ų | 43 | 66 Ų | 66 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 178 | -173.8 | -87.7 | 0 | 0 | 0 | 111.7 | A337 C338 K343 L344 H345 I347 R349 M353 | A337-Y341 WeakPolarHBondContact O-CB 3.38Å; A337-Y341 PolarHBondContact O-N 2.85Å; C338-Y341 PolarHBondContact O-N 2.91Å; Y341-K343 PolarHBondContact O-N 2.86Å; Y341-L344 PolarHBondContact O-N 3.16Å; Y341-H345 AromaticContact CD2-CD2 3.54Å; Y341-H345 AromaticContact CD2-NE2 3.97Å; Y341-H345 HydrophobicContact CE1-CB 4.38Å; Y341-H345 AromaticContact CE2-CD2 3.47Å; Y341-H345 VanDerWaalsContact CE2-CD2 3.47Å; Y341-H345 WeakPolarHBondContact CE2-CD2 3.29Å; Y341-H345 AromaticContact CE2-NE2 3.81Å; Y341-H345 AromaticContact CG-CD2 3.88Å; Y341-H345 AromaticContact CZ-CD2 3.75Å; Y341-H345 PolarHBondContact O-CD2 3.14Å; Y341-H345 PolarHBondContact O-N 3.19Å; Y341-I347 WeakPolarHBondContact CD1-O 3.42Å; Y341-I347 HydrophobicContact CE1-CD1 4.11Å; Y341-I347 HydrophobicContact CE1-CG1 3.95Å; Y341-R349 HydrophobicContact CD1-CB 3.65Å; Y341-R349 HydrophobicContact CD1-CG 3.93Å; Y341-R349 HydrophobicContact CD2-CG 4.1Å; Y341-R349 HydrophobicContact CE1-CB 4.27Å; Y341-R349 HydrophobicContact CE1-CG 4.43Å; Y341-R349 HydrophobicContact CG-CB 3.87Å; Y341-R349 HydrophobicContact CG-CG 3.72Å; Y341-M353 HydrophobicContact CD2-SD 4.48Å; Y341-M353 HydrophobicContact CE2-CE 4.43Å; Y341-M353 HydrophobicContact CE2-SD 3.81Å |
| 342 | F | 97.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 71.1 Ų | 71.1 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.3 | -34.5 | 175.9 | -172 | -84.9 | 0 | 0 | 0 | 112.4 | C338 L344 N346 I347 | C338-F342 PolarHBondContact O-N 2.95Å; F342-L344 VanDerWaalsContact C-N 3.31Å; F342-L344 PolarHBondContact O-N 2.84Å; F342-N346 WeakPolarHBondContact CE2-O 3.44Å; F342-N346 WeakPolarHBondContact O-CA 3.37Å; F342-N346 PolarHBondContact O-N 3.44Å; F342-I347 WeakPolarHBondContact CA-O 3.48Å; F342-I347 WeakPolarHBondContact CD2-O 3.41Å |
| 343 | K | 97.1 | Very high | 97.1 | Very high | 168 Ų | 168 | 72.3 Ų | 72.3 | 73% | 0.73 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72 | -21.6 | 175.9 | 176.3 | 161.5 | -70.1 | -134.3 | 0 | 113.6 | L340 Y341 | L340-K343 PolarHBondContact O-N 3.3Å; Y341-K343 PolarHBondContact O-N 2.86Å |
| 344 | L | 97.8 | Very high | 97 | Very high | 129 Ų | 129 | 73.9 Ų | 73.9 | 68% | 0.675 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -97.2 | -30 | -178.2 | -176.9 | 60 | 0 | 0 | 0 | 113 | L340 Y341 F342 | L340-L344 PolarHBondContact O-N 2.64Å; L340-L344 VanDerWaalsContact O-N 3.15Å; Y341-L344 PolarHBondContact O-N 3.16Å; F342-L344 VanDerWaalsContact C-N 3.31Å; F342-L344 PolarHBondContact O-N 2.84Å |
| 345 | H | 97.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 80.4 Ų | 80.4 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -122.6 | -2.5 | -173.3 | -56 | -71.5 | 0 | 0 | 0 | 114.1 | Y341 I347 | Y341-H345 AromaticContact CD2-CD2 3.54Å; Y341-H345 AromaticContact CD2-NE2 3.97Å; Y341-H345 HydrophobicContact CE1-CB 4.38Å; Y341-H345 AromaticContact CE2-CD2 3.47Å; Y341-H345 VanDerWaalsContact CE2-CD2 3.47Å; Y341-H345 WeakPolarHBondContact CE2-CD2 3.29Å; Y341-H345 AromaticContact CE2-NE2 3.81Å; Y341-H345 AromaticContact CG-CD2 3.88Å; Y341-H345 AromaticContact CZ-CD2 3.75Å; Y341-H345 PolarHBondContact O-CD2 3.14Å; Y341-H345 PolarHBondContact O-N 3.19Å; H345-I347 HydrophobicContact CB-CD1 4.48Å; H345-I347 HydrophobicContact CB-CG1 3.74Å; H345-I347 PolarHBondContact O-N 2.97Å |
| 346 | N | 97.2 | Very high | 96.3 | Very high | 127 Ų | 127 | 87.7 Ų | 87.7 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 57.1 | 6.1 | -175.4 | -70.1 | 63.9 | 0 | 0 | 0 | 116 | F342 | F342-N346 WeakPolarHBondContact CE2-O 3.44Å; F342-N346 WeakPolarHBondContact O-CA 3.37Å; F342-N346 PolarHBondContact O-N 3.44Å |
| 347 | I | 97.2 | Very high | 95.8 | Very high | 96 Ų | 96 | 88.3 Ų | 88.3 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -116.3 | 156.8 | 178.4 | 55.8 | 158.4 | 0 | 0 | 0 | 112.2 | Y341 F342 H345 | Y341-I347 WeakPolarHBondContact CD1-O 3.42Å; Y341-I347 HydrophobicContact CE1-CD1 4.11Å; Y341-I347 HydrophobicContact CE1-CG1 3.95Å; F342-I347 WeakPolarHBondContact CA-O 3.48Å; F342-I347 WeakPolarHBondContact CD2-O 3.41Å; H345-I347 HydrophobicContact CB-CD1 4.48Å; H345-I347 HydrophobicContact CB-CG1 3.74Å; H345-I347 PolarHBondContact O-N 2.97Å |
| 348 | N | 97.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 90.3 Ų | 90.3 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 142.1 | 175.9 | -83.1 | 6.1 | 0 | 0 | 0 | 111.4 | P350 | N348-P350 WeakPolarHBondContact O-CD 3.44Š|
| 349 | R | 97.8 | Very high | 95 | Very high | 45 Ų | 45 | 97 Ų | 97 | 17% | 0.17 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 123.8 | -179.4 | -168.7 | 176.2 | -176.1 | -81.9 | 2 | 110 | N316 C338 Y341 M353 | N316-R349 PolarHBondContact ND2-O 3.28Å; N316-R349 PolarHBondContact OD1-O 3.45Å; C338-R349 HydrophobicContact CB-CB 4.31Å; Y341-R349 HydrophobicContact CD1-CB 3.65Å; Y341-R349 HydrophobicContact CD1-CG 3.93Å; Y341-R349 HydrophobicContact CD2-CG 4.1Å; Y341-R349 HydrophobicContact CE1-CB 4.27Å; Y341-R349 HydrophobicContact CE1-CG 4.43Å; Y341-R349 HydrophobicContact CG-CB 3.87Å; Y341-R349 HydrophobicContact CG-CG 3.72Å; R349-M353 VanDerWaalsContact CZ-O 3.25Å; R349-M353 PolarHBondContact NH1-O 3.28Å; R349-M353 PolarHBondContact NH2-O 2.99Å |
| 350 | P | 97.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 102.9 Ų | 102.9 | 30% | 0.299 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 142.9 | -178.9 | 27.3 | -34.3 | 0 | 0 | 0 | 111.1 | N348 T352 M353 | N348-P350 WeakPolarHBondContact O-CD 3.44Å; P350-T352 PolarHBondContact O-N 3.06Å; P350-M353 HydrophobicContact CG-CG 3.96Å; P350-M353 HydrophobicContact CG-SD 3.82Å; P350-M353 PolarHBondContact O-N 2.99Å; P350-M353 VanDerWaalsContact O-N 3.16Å |
| 351 | L | 96.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 108.7 Ų | 108.7 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -67.3 | -25.6 | -177.1 | -64.3 | 179.5 | 0 | 0 | 0 | 112.6 | C317 M353 K354 | C317-L351 HydrophobicContact CB-CD2 3.88Å; L351-M353 PolarHBondContact O-N 3.04Å; L351-M353 VanDerWaalsContact O-N 3.16Å; L351-K354 WeakPolarHBondContact O-CB 3.44Å; L351-K354 PolarHBondContact O-N 3.45Å |
| 352 | T | 95.9 | Very high | 92.6 | Very high | 133 Ų | 133 | 114.6 Ų | 114.6 | 82% | 0.816 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -57.1 | -25.9 | 172.1 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | P350 | P350-T352 PolarHBondContact O-N 3.06Š|
| 353 | M | 94.3 | Very high | 91.6 | Very high | 93 Ų | 93 | 119.8 Ų | 119.8 | 46% | 0.458 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -89 | 0.1 | 174.6 | -60.1 | -179 | 87.7 | 0 | 0 | 113.2 | Y341 R349 P350 L351 | Y341-M353 HydrophobicContact CD2-SD 4.48Å; Y341-M353 HydrophobicContact CE2-CE 4.43Å; Y341-M353 HydrophobicContact CE2-SD 3.81Å; R349-M353 VanDerWaalsContact CZ-O 3.25Å; R349-M353 PolarHBondContact NH1-O 3.28Å; R349-M353 PolarHBondContact NH2-O 2.99Å; P350-M353 HydrophobicContact CG-CG 3.96Å; P350-M353 HydrophobicContact CG-SD 3.82Å; P350-M353 PolarHBondContact O-N 2.99Å; P350-M353 VanDerWaalsContact O-N 3.16Å; L351-M353 PolarHBondContact O-N 3.04Å; L351-M353 VanDerWaalsContact O-N 3.16Å |
| 354 | K | 93.1 | Very high | 90.6 | Very high | 83 Ų | 83 | 121.5 Ų | 121.5 | 36% | 0.361 | 60% | 0.601 | S | S | . | * | | | trans | -64 | 140.2 | 176.3 | -176.2 | 177 | 169.6 | 174.6 | 0 | 108.9 | C317 L351 | C317-K354 PolarHBondContact O-NZ 3.37Å; C317-K354 VanDerWaalsContact O-NZ 3.14Å; L351-K354 WeakPolarHBondContact O-CB 3.44Å; L351-K354 PolarHBondContact O-N 3.45Å |
| 355 | K | 92.9 | Very high | 88.8 | Confident | 144 Ų | 144 | 123.7 Ų | 123.7 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | | | trans | -129.2 | 137.4 | 170.7 | -171.2 | 168.8 | -172.2 | 161.4 | 0 | 108.4 | Q359 | K355-Q359 HydrophobicContact CD-CG 4.17Š|
| 356 | E | 87.3 | Confident | 86.7 | Confident | 159 Ų | 159 | 123.9 Ų | 123.9 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -67.5 | -40.5 | -172 | -152.5 | 54 | -147.7 | 0 | 0 | 112.6 | | |
| 357 | G | 87.2 | Confident | 84.7 | Confident | 46 Ų | 46 | 122.5 Ų | 122.5 | 47% | 0.474 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -93.1 | 138 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q359 | G357-Q359 PolarHBondContact O-N 2.88Š|
| 358 | I | 89 | Confident | 82.9 | Confident | 85 Ų | 85 | 126.5 Ų | 126.5 | 44% | 0.436 | 64% | 0.636 | S | S | . | * | | | trans | -65.6 | 112.2 | 165.7 | -62.8 | 178.4 | 0 | 0 | 0 | 109.2 | T323 T360 | T323-I358 HydrophobicContact CG2-CG2 3.59Å; I358-T360 PolarHBondContact O-N 3.38Å |
| 359 | Q | 88.3 | Confident | 81 | Confident | 145 Ų | 145 | 126.1 Ų | 126.1 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | | | trans | -68.4 | 125.2 | 176.9 | -59.4 | -170.7 | 22.6 | 0 | 0 | 112.2 | K355 G357 | K355-Q359 HydrophobicContact CD-CG 4.17Å; G357-Q359 PolarHBondContact O-N 2.88Å |
| 360 | T | 84.7 | Confident | 79 | Confident | 139 Ų | 139 | 132.1 Ų | 132.1 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | | | trans | -90.7 | 111.5 | 172.3 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | I358 | I358-T360 PolarHBondContact O-N 3.38Š|
| 361 | R | 83.6 | Confident | 76.7 | Confident | 203 Ų | 203 | 138.6 Ų | 138.6 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | | | trans | -94.4 | 135.7 | 167.3 | 60.2 | 179.7 | 173.3 | 174.1 | -3.4 | 110.8 | R363 | R361-R363 HydrophobicContact CG-CG 4.4Å; R361-R363 PolarHBondContact O-N 3.46Å |
| 362 | N | 75.5 | Confident | 74.4 | Confident | 167 Ų | 167 | 137.5 Ų | 137.5 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | | | trans | -65.2 | 117.7 | 172.9 | -169.6 | 1 | 0 | 0 | 0 | 109.4 | K364 | N362-K364 PolarHBondContact O-N 3.2Š|
| 363 | R | 76.4 | Confident | 72.4 | Confident | 201 Ų | 201 | 139.7 Ų | 139.7 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | | | trans | -96.1 | 98.4 | -175.3 | -62.2 | -176.8 | 80.6 | 171.9 | 3.4 | 109.1 | R361 M365 | R361-R363 HydrophobicContact CG-CG 4.4Å; R361-R363 PolarHBondContact O-N 3.46Å; R363-M365 PolarHBondContact O-N 3.09Å; R363-M365 VanDerWaalsContact O-N 3.13Å |
| 364 | K | 75.4 | Confident | 70.3 | Confident | 204 Ų | 204 | 144.3 Ų | 144.3 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 121.4 | 164.3 | 52 | 175.1 | 173.9 | -123.9 | 0 | 109.3 | N362 S366 | N362-K364 PolarHBondContact O-N 3.2Å; K364-S366 PolarHBondContact O-N 3.08Å |
| 365 | M | 61 | Low | 68.1 | Low | 175 Ų | 175 | 144.1 Ų | 144.1 | 86% | 0.862 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63 | 131.8 | 179.7 | 57.3 | 178.6 | 171.9 | 0 | 0 | 109.5 | R363 S367 | R363-M365 PolarHBondContact O-N 3.09Å; R363-M365 VanDerWaalsContact O-N 3.13Å; M365-S367 PolarHBondContact O-N 3.49Å |
| 366 | S | 52.6 | Low | 66.3 | Low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 118.2 | 179.7 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | K364 K368 | K364-S366 PolarHBondContact O-N 3.08Å; S366-K368 PolarHBondContact O-N 3.33Å |
| 367 | S | 56.8 | Low | 64.7 | Low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -71.2 | 4.5 | -176.7 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | M365 S369 K370 | M365-S367 PolarHBondContact O-N 3.49Å; S367-S369 PolarHBondContact O-N 3.41Å; S367-K370 PolarHBondContact O-N 3.15Å |
| 368 | K | 59 | Low | 62.9 | Low | 180 Ų | 180 | 147.3 Ų | 147.3 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -59.1 | -21.9 | -171 | -161.4 | 158.2 | -175.4 | 170 | 0 | 113.9 | S366 K370 | S366-K368 PolarHBondContact O-N 3.33Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.34Å |
| 369 | S | 57.9 | Low | 61.3 | Low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -68.5 | -16.8 | 175.7 | -45.4 | 0 | 0 | 0 | 0 | 115.4 | S367 | S367-S369 PolarHBondContact O-N 3.41Š|
| 370 | K | 54.7 | Low | 59.7 | Low | 171 Ų | 171 | 147.5 Ų | 147.5 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -85.5 | -13.5 | -175.7 | -78.4 | -167.2 | 173.7 | -173.1 | 0 | 115.1 | S367 K368 | S367-K370 PolarHBondContact O-N 3.15Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.34Å |
| 371 | K | 49.1 | Very low | 58.1 | Low | 182 Ų | 182 | 146.9 Ų | 146.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -83.6 | -31.3 | -173.8 | -169.6 | 71 | 176 | -176 | 0 | 113.8 | K373 | K371-K373 PolarHBondContact O-N 2.9Š|
| 372 | S | 48.5 | Very low | 56.6 | Low | 79 Ų | 79 | 144.9 Ų | 144.9 | 55% | 0.552 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -73.4 | -20.2 | -173 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | K374 S375 | S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 3.28Å; S372-S375 PolarHBondContact O-OG 3.3Å |
| 373 | K | 53.3 | Low | 55.9 | Low | 179 Ų | 179 | 139.8 Ų | 139.8 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -77.8 | -3.4 | -179.8 | -173.2 | 156.3 | 174.3 | 53 | 0 | 114.3 | K371 | K371-K373 PolarHBondContact O-N 2.9Š|
| 374 | K | 49.6 | Very low | 55.1 | Low | 190 Ų | 190 | 136.1 Ų | 136.1 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -117.8 | 13.5 | 174.4 | -151.1 | -178 | 177 | 177.9 | 0 | 113.6 | S372 | S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 3.28Å |
| 375 | S | 47.6 | Very low | 53.9 | Low | 78 Ų | 78 | 131 Ų | 131 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -110.9 | 4.9 | 175.3 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | S372 | S372-S375 PolarHBondContact O-OG 3.3Š|
| 376 | Q | 55.3 | Low | 53.6 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -91.7 | -42.4 | -178.6 | -162.5 | 163.8 | -3.9 | 0 | 0 | 111.4 | N378 M379 | Q376-N378 PolarHBondContact O-N 3.43Å; Q376-M379 PolarHBondContact O-N 3.4Å |
| 377 | D | 53.1 | Low | 53.7 | Low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 8.5 | 177.2 | -50.1 | -91.5 | 0 | 0 | 0 | 115.6 | | |
| 378 | N | 50.3 | Low | 53.2 | Low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 6.6 | -175.3 | -159.2 | -126.1 | 0 | 0 | 0 | 113.8 | Q376 | Q376-N378 PolarHBondContact O-N 3.43Š|
| 379 | M | 54.3 | Low | 52.7 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -30 | 174.1 | -93 | -73.2 | -64.9 | 0 | 0 | 113.1 | Q376 E381 | Q376-M379 PolarHBondContact O-N 3.4Å; M379-E381 VanDerWaalsContact C-N 3.32Å; M379-E381 PolarHBondContact O-N 3.37Å |
| 380 | D | 56 | Low | 52.2 | Low | 108 Ų | 108 | 134.3 Ų | 134.3 | 58% | 0.578 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.8 | -24.6 | -176.8 | -59.2 | -89.5 | 0 | 0 | 0 | 113.9 | | |
| 381 | E | 50.3 | Low | 52 | Low | 126 Ų | 126 | 131.1 Ų | 131.1 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.8 | -39.9 | -179.7 | -159.9 | 65.4 | -178 | 0 | 0 | 112.1 | M379 S383 K384 | M379-E381 VanDerWaalsContact C-N 3.32Å; M379-E381 PolarHBondContact O-N 3.37Å; E381-S383 VanDerWaalsContact C-N 3.29Å; E381-S383 PolarHBondContact O-N 3.42Å; E381-K384 PolarHBondContact O-N 3.46Å; E381-K384 IonicContact OE2-NZ 3.95Å; E381-K384 PolarHBondContact OE2-NZ 3.01Å |
| 382 | F | 52.6 | Low | 51.7 | Low | 161 Ų | 161 | 127.8 Ų | 127.8 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.9 | -33.5 | 179.6 | -172.6 | -105.4 | 0 | 0 | 0 | 112.2 | K384 | F382-K384 PolarHBondContact O-N 3.3Å |
| 383 | S | 61.1 | Low | 51.2 | Low | 59 Ų | 59 | 134.1 Ų | 134.1 | 41% | 0.413 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -65.9 | -32.8 | 178 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | E381 M387 | E381-S383 VanDerWaalsContact C-N 3.29Å; E381-S383 PolarHBondContact O-N 3.42Å; S383-M387 WeakPolarHBondContact O-CE 2.94Å |
| 384 | K | 58 | Low | 50.6 | Low | 125 Ų | 125 | 130.8 Ų | 130.8 | 54% | 0.543 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -69.7 | -39.9 | -179.5 | -68.1 | 174.4 | -172 | 160.4 | 0 | 112.6 | E381 F382 L386 M387 | E381-K384 PolarHBondContact O-N 3.46Å; E381-K384 IonicContact OE2-NZ 3.95Å; E381-K384 PolarHBondContact OE2-NZ 3.01Å; F382-K384 PolarHBondContact O-N 3.3Å; K384-L386 PolarHBondContact O-N 3.07Å; K384-M387 PolarHBondContact O-N 3.27Å |
| 385 | S | 51.2 | Low | 50.6 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -61 | -20.1 | -176.1 | -171.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 386 | L | 54 | Low | 50.3 | Low | 142 Ų | 142 | 129.2 Ų | 129.2 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -18.6 | 177.8 | -161.4 | 139.8 | 0 | 0 | 0 | 113.3 | K384 | K384-L386 PolarHBondContact O-N 3.07Š|
| 387 | M | 55.8 | Low | 49.5 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -27 | -174.5 | -52.6 | -174.5 | -171.8 | 0 | 0 | 113.3 | S383 K384 K389 | S383-M387 WeakPolarHBondContact O-CE 2.94Å; K384-M387 PolarHBondContact O-N 3.27Å; M387-K389 PolarHBondContact O-N 2.64Å |
| 388 | D | 45.8 | Very low | 48.9 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.8 | -169.8 | -139.7 | -115.1 | 0 | 0 | 0 | 114 | | |
| 389 | K | 48.6 | Very low | 48.5 | Very low | 197 Ų | 197 | 127 Ų | 127 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 24.3 | -166.5 | -141.8 | 165.7 | -171 | 170.7 | 0 | 114.9 | M387 | M387-K389 PolarHBondContact O-N 2.64Š|
| 390 | S | 48 | Very low | 47.7 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -129.3 | 49 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 391 | S | 50 | Low | 47.1 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -151.7 | 82.3 | 172.7 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 392 | S | 42 | Very low | 46.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -167.3 | 135.8 | 154.8 | -91 | 0 | 0 | 0 | 0 | 113.4 | | |
| 393 | F | 37.7 | Very low | 46.1 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | 69.5 | 153.7 | 172.2 | -80.6 | -87.8 | 0 | 0 | 0 | 120 | | |
| 394 | S | 41.6 | Very low | 45 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -120.4 | 161.5 | -149.4 | -53 | 0 | 0 | 0 | 0 | 113.4 | | |
| 395 | P | 48.9 | Very low | 44.2 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -95.2 | 109.6 | -171.3 | 34.6 | -32.5 | 0 | 0 | 0 | 114.3 | | |
| 396 | A | 42.3 | Very low | 44 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -168.9 | 105 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 397 | A | 38.1 | Very low | 43.7 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -165.5 | 149.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 398 | L | 41.2 | Very low | 42.9 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | trans | -71.5 | 139.9 | -167.1 | -65.7 | 89.5 | 0 | 0 | 0 | 116.7 | | |
| 399 | S | 40.6 | Very low | 42.4 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | | 41.3 | 140.7 | 116.6 | -155.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 400 | R | 38.6 | Very low | 42 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | | | trans | 74.3 | 129.8 | 176.3 | -48.5 | 178 | -176.5 | -177.9 | 0.2 | 112.5 | | |
| 401 | H | 43.2 | Very low | 41.5 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | cis | -143.8 | 177.7 | 49 | -156.6 | -95.9 | 0 | 0 | 0 | 114 | | |
| 402 | M | 42.7 | Very low | 40.7 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | | | trans | -98.7 | 165.9 | 174 | -68.4 | -87.7 | 89.1 | 0 | 0 | 113.1 | | |
| 403 | S | 39.4 | Very low | 40.9 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | 102.2 | 119.8 | 149.1 | -54.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 404 | S | 36.8 | Very low | 41 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | 77.2 | 145.8 | 142.6 | -60.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 405 | F | 40.9 | Very low | 41.1 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -76.5 | 164.2 | 175.2 | -49.6 | -92.5 | 0 | 0 | 0 | 112 | | |
| 406 | P | 47.9 | Very low | 40.8 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | | | | -134.4 | 159.7 | 74.3 | 38.4 | -26.3 | 0 | 0 | 0 | 115.1 | | |
| 407 | P | 48.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | -84.2 | 140.2 | 172.2 | 34.1 | -33.1 | 0 | 0 | 0 | 112.1 | | |
| 408 | F | 38.7 | Very low | 41.8 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -99.3 | 105.9 | 176.1 | -106.2 | -87.5 | 0 | 0 | 0 | 113.2 | | |
| 409 | S | 34.5 | Very low | 42.1 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | 20.1 | 110 | 149.5 | -53 | 0 | 0 | 0 | 0 | 119.8 | | |
| 410 | H | 40.7 | Very low | 43.1 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 127.1 | 139.6 | -78.8 | -86.3 | 0 | 0 | 0 | 108.8 | | |
| 411 | S | 36.8 | Very low | 42.9 | Very low | 125 Ų | 125 | 142 Ų | 142 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 132.2 | 176.9 | -166.3 | 0 | 0 | 0 | 0 | 111 | | |
| 412 | S | 32.7 | Very low | 43 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 128.9 | -176.7 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 413 | H | 46.5 | Very low | 43.5 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 132.5 | 154.2 | -166.2 | -74.7 | 0 | 0 | 0 | 108.1 | | |
| 414 | M | 41.2 | Very low | 43.6 | Very low | 144 Ų | 144 | 139 Ų | 139 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 149.8 | -169.4 | -64.6 | -87.1 | 82.3 | 0 | 0 | 113.1 | | |
| 415 | L | 43 | Very low | 43.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 153.7 | 154.6 | -82.1 | 71.4 | 0 | 0 | 0 | 108.9 | | |
| 416 | T | 41.7 | Very low | 43.7 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -123.8 | 122.4 | 156 | -47.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 417 | T | 43.6 | Very low | 43.8 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | | | trans | -90.3 | 144.3 | -174.1 | -55 | 0 | 0 | 0 | 0 | 110.7 | | |
| 418 | P | 57.8 | Low | 44.2 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -87.2 | 156.4 | -177.5 | 34.7 | -36.8 | 0 | 0 | 0 | 114 | | |
| 419 | T | 48 | Very low | 44.1 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -145 | 153.4 | 159.6 | 23.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 420 | P | 62.4 | Low | 44.5 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | trans | -105.2 | 169.7 | -172.1 | 40.5 | -35.5 | 0 | 0 | 0 | 114 | | |
| 421 | M | 34.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -163.6 | 159.9 | 145.8 | -84.7 | -126.6 | 79.4 | 0 | 0 | 112.3 | | |
| 422 | H | 44.3 | Very low | 45.6 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -128.6 | 171.3 | 166.4 | -114.7 | -110.4 | 0 | 0 | 0 | 106.1 | | |
| 423 | P | 53.7 | Low | 46.4 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | cis | -142.3 | -179.2 | 16.4 | 43.8 | -24.6 | 0 | 0 | 0 | 117.5 | | |
| 424 | S | 41.3 | Very low | 46.9 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | 51.5 | 129.8 | 142.6 | -60.9 | 0 | 0 | 0 | 0 | 126.1 | | |
| 425 | S | 42.7 | Very low | 47.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | 75.2 | 117.2 | 132 | 61.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 426 | S | 38.2 | Very low | 47.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -156.2 | 160 | 137.8 | 57.3 | 0 | 0 | 0 | 0 | 112 | | |
| 427 | L | 48.4 | Very low | 47.9 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -115.5 | -178.8 | 178.6 | -77.9 | 174.6 | 0 | 0 | 0 | 108.3 | | |
| 428 | P | 56.9 | Low | 48.1 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | cis | -158 | -171.8 | 33.7 | 44.9 | -21 | 0 | 0 | 0 | 120.3 | | |
| 429 | F | 38.1 | Very low | 47.7 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | 54.6 | 123.4 | 163.3 | -63.6 | -65.5 | 0 | 0 | 0 | 119.2 | | |
| 430 | A | 41.9 | Very low | 47.7 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | | 75.1 | 146.9 | 62.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 431 | P | 56.9 | Low | 46.9 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | cis | -139.4 | 162.4 | 29.9 | 30 | -5.6 | 0 | 0 | 0 | 119.6 | | |
| 432 | H | 44.4 | Very low | 47.7 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | 39.7 | 146.2 | 130.1 | -45.9 | -32.3 | 0 | 0 | 0 | 121.3 | | |
| 433 | H | 48.7 | Very low | 47.9 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | | | cis | -165.6 | -152.4 | 8.2 | 48.3 | -120.2 | 0 | 0 | 0 | 112 | | |
| 434 | P | 58.1 | Low | 47.6 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 82% | 0.82 | S | S | * | * | | | | -134.3 | 173.6 | -118.5 | 41 | -18.9 | 0 | 0 | 0 | 118.4 | | |
| 435 | S | 47 | Very low | 48 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | 167.8 | 126.6 | 140.9 | -75.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 436 | S | 47.6 | Very low | 48.3 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | | | cis | 82.8 | 75.4 | 19.8 | -167.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 437 | M | 50.5 | Low | 48.9 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | | | trans | -159.2 | 129.9 | 130.1 | 18.9 | -136.7 | -173.6 | 0 | 0 | 109.8 | | |
| 438 | V | 48.8 | Very low | 48.9 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | | 70.2 | 136 | 85.4 | 124 | 0 | 0 | 0 | 0 | 112 | | |
| 439 | T | 49.6 | Very low | 48.4 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 83% | 0.834 | S | S | * | * | | | cis | -160.7 | 160.7 | -19.6 | -111.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 440 | A | 48.9 | Very low | 49.2 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 70% | 0.702 | 83% | 0.834 | S | S | * | * | | | trans | -77.1 | 140.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 441 | M | 45 | Very low | 49.8 | Very low | 197 Ų | 197 | 137 Ų | 137 | 97% | 0.97 | 85% | 0.85 | S | S | * | * | | | trans | -162.6 | 146.2 | 137.8 | -90.5 | -47 | 170.8 | 0 | 0 | 109.3 | | |
| 442 | G | 51.8 | Low | 49.1 | Very low | 152 Ų | 152 | 140 Ų | 140 | 100% | 1.567 | 87% | 0.866 | S | S | * | * | | | trans | 166.7 | 0 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |