| 1 | M | 44.7 | Very low | 49 | Very low | 248 Ų | 248 | 145.5 Ų | 145.5 | 100% | 1.222 | 85% | 0.846 | S | S | * | * | | | | 0 | 86 | 0 | -75.9 | 147.2 | 94.7 | 0 | 0 | 108.1 | | |
| 2 | T | 48 | Very low | 50.3 | Low | 150 Ų | 150 | 148.4 Ų | 148.4 | 92% | 0.92 | 85% | 0.85 | S | S | * | * | | | trans | -97 | 119.9 | 170.5 | 44.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 3 | G | 45.3 | Very low | 50 | Low | 55 Ų | 55 | 150.9 Ų | 150.9 | 57% | 0.567 | 85% | 0.849 | S | S | * | * | | | trans | -149.9 | 126.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 4 | V | 52.2 | Low | 49.7 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | 71.3 | 69.3 | 141.6 | -56.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 5 | F | 58 | Low | 49.7 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | | | trans | -154 | 125.8 | 145.6 | -65.9 | -80.7 | 0 | 0 | 0 | 105 | | |
| 6 | D | 49.9 | Very low | 49.8 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 72% | 0.717 | 83% | 0.828 | S | S | * | * | | | cis | -162.5 | 126.9 | 22.6 | -170.2 | -92.8 | 0 | 0 | 0 | 106.2 | | |
| 7 | S | 41.8 | Very low | 49.8 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -117.8 | 84 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 8 | L | 51.4 | Low | 49.5 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | | | trans | -163.3 | 73.3 | 170.8 | -100.2 | 136.2 | 0 | 0 | 0 | 110.8 | | |
| 9 | V | 51.2 | Low | 49.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 95% | 0.945 | 82% | 0.822 | S | S | * | * | | | trans | -150.7 | 76.8 | 146.8 | 92.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 10 | A | 50.4 | Low | 49.6 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | | | trans | -119.8 | 139.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 11 | D | 45.7 | Very low | 49.8 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | 85.9 | 92.5 | 172.4 | -146.2 | -99.5 | 0 | 0 | 0 | 117.1 | | |
| 12 | M | 64.9 | Low | 50.5 | Low | 181 Ų | 181 | 133.4 Ų | 133.4 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | -150.4 | 73.5 | 144.1 | -146.1 | 172.4 | 70.5 | 0 | 0 | 109.6 | | |
| 13 | H | 46.2 | Very low | 50.5 | Low | 181 Ų | 181 | 136.7 Ų | 136.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -75.4 | 111.7 | 157.1 | -78.1 | 168.8 | 0 | 0 | 0 | 108.4 | | |
| 14 | S | 46.5 | Very low | 50.7 | Low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -154.9 | 105.4 | 151.9 | -150.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 15 | T | 49.2 | Very low | 51 | Low | 117 Ų | 117 | 145.3 Ų | 145.3 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | | | | 53.9 | 99.8 | 124.1 | -23.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 16 | Q | 51.1 | Low | 50.7 | Low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | | 161.7 | 110.9 | 114.6 | -91.4 | -152 | -8.7 | 0 | 0 | 110 | | |
| 17 | I | 49.7 | Very low | 50.8 | Low | 145 Ų | 145 | 144.1 Ų | 144.1 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | | 71.8 | 112.7 | 98.8 | -62.7 | 174.1 | 0 | 0 | 0 | 113.1 | | |
| 18 | A | 45.4 | Very low | 51.5 | Low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -62.4 | 137.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 19 | A | 53.4 | Low | 51.8 | Low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -151.6 | 99.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 20 | S | 46.3 | Very low | 52.4 | Low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -65 | 130.2 | 159.5 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 21 | S | 54.6 | Low | 52.7 | Low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -159.4 | 100.9 | 151.5 | -93.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 22 | T | 59.7 | Low | 53.1 | Low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | | 40 | 107.4 | 121.6 | -61.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 23 | Y | 47.4 | Very low | 52.3 | Low | 220 Ų | 220 | 136.5 Ų | 136.5 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | | | trans | 37.2 | 118.5 | 130.5 | -84.8 | -92 | 0 | 0 | 0 | 120.9 | | |
| 24 | H | 50.8 | Low | 52.6 | Low | 188 Ų | 188 | 131.3 Ų | 131.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -33 | 126.1 | 152 | -91.1 | 47.2 | 0 | 0 | 0 | 115.4 | | |
| 25 | Q | 58.4 | Low | 53.1 | Low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -156.1 | 108.7 | 146 | -142.9 | -155.4 | 45.9 | 0 | 0 | 111.7 | | |
| 26 | H | 50.4 | Low | 53.1 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 64% | 0.644 | 81% | 0.805 | S | S | * | * | | | | 57.7 | 104.5 | 129.9 | -154.4 | 76.6 | 0 | 0 | 0 | 120.3 | | |
| 27 | Q | 52.5 | Low | 53.3 | Low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | | 175.2 | 155.2 | 116.4 | -97 | 161 | 26.3 | 0 | 0 | 113.7 | | |
| 28 | Q | 56.2 | Low | 53.4 | Low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -84.1 | 165.8 | -156.6 | -58.5 | 168.3 | 8 | 0 | 0 | 114.3 | | |
| 29 | P | 57.1 | Low | 53.5 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -99.3 | 161.8 | -178.4 | 38.8 | -32 | 0 | 0 | 0 | 113.5 | | |
| 30 | P | 65.3 | Low | 53.1 | Low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | | | trans | -127 | 129 | 147.1 | 33.5 | -19.4 | 0 | 0 | 0 | 111.2 | | |
| 31 | S | 57.1 | Low | 53.5 | Low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | | 80.9 | 124.2 | 82.9 | -52 | 0 | 0 | 0 | 0 | 114.3 | | |
| 32 | G | 52.3 | Low | 53.2 | Low | 81 Ų | 81 | 127.1 Ų | 127.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | 104.5 | 103 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 33 | G | 48.5 | Very low | 52.8 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | | 113.3 | 141.7 | 67.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 34 | G | 52.5 | Low | 52.7 | Low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | cis | 174.8 | 171 | 5 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 35 | A | 57.2 | Low | 52.7 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | | | trans | 70.8 | 131.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 36 | G | 49.7 | Very low | 52.1 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | cis | -176.8 | 163.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 37 | P | 54.2 | Low | 52.4 | Low | 137 Ų | 137 | 114.9 Ų | 114.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | -97.7 | 157.2 | -171.3 | 37 | -30.6 | 0 | 0 | 0 | 112.1 | | |
| 38 | G | 52.4 | Low | 52.2 | Low | 83 Ų | 83 | 114.7 Ų | 114.7 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | 147.3 | 133.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 39 | G | 48.3 | Very low | 51.8 | Low | 78 Ų | 78 | 116.1 Ų | 116.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | 137.3 | 64.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 40 | N | 45.4 | Very low | 51.6 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | -80.8 | 117.1 | 162.8 | -152.4 | 62.5 | 0 | 0 | 0 | 107.4 | | |
| 41 | S | 54.6 | Low | 50.4 | Low | 103 Ų | 103 | 118.6 Ų | 118.6 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -145.8 | 108.7 | 166.9 | 56 | 0 | 0 | 0 | 0 | 110.6 | | |
| 42 | S | 47.9 | Very low | 49.9 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -51 | 129.3 | 163.6 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 43 | S | 49.9 | Very low | 49.5 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -127.3 | 96.6 | 165.6 | -49.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 44 | S | 45.4 | Very low | 50.2 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -76.1 | 125.3 | 163 | 39 | 0 | 0 | 0 | 0 | 109.1 | | |
| 45 | S | 52.2 | Low | 50.3 | Low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -136.5 | 94.8 | 162.7 | 58.1 | 0 | 0 | 0 | 0 | 109 | | |
| 46 | S | 45.8 | Very low | 50.5 | Low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -52.2 | 137.2 | 154.6 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 47 | L | 55.3 | Low | 51.2 | Low | 145 Ų | 145 | 130.8 Ų | 130.8 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | | 170 | 147.2 | 125.5 | -113.3 | 64.6 | 0 | 0 | 0 | 112.4 | | |
| 48 | H | 49.1 | Very low | 51 | Low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | | | trans | 89.7 | 97.7 | 163.6 | -64.1 | -76.7 | 0 | 0 | 0 | 120.5 | | |
| 49 | K | 47.2 | Very low | 51.4 | Low | 201 Ų | 201 | 132.1 Ų | 132.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -79.9 | 142.4 | 141.5 | -81.8 | 168.1 | 164.2 | 175.8 | 0 | 108.9 | | |
| 50 | P | 53.3 | Low | 51.2 | Low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | | -131.8 | 130 | 114.2 | 28.7 | -13.8 | 0 | 0 | 0 | 109.9 | | |
| 51 | Q | 41.1 | Very low | 51.6 | Low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | | 48.9 | 92.8 | 92.9 | -166.5 | -146.6 | -16.3 | 0 | 0 | 113.2 | | |
| 52 | E | 45.1 | Very low | 51.5 | Low | 180 Ų | 180 | 131.7 Ų | 131.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | | -178.2 | 122.2 | 123.5 | 52.2 | -165.8 | 107.7 | 0 | 0 | 110.3 | | |
| 53 | S | 44.9 | Very low | 51.4 | Low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -97 | 141.2 | 171.1 | -59.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 54 | P | 62.4 | Low | 51.1 | Low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -114.2 | 101.8 | 140.1 | -5.2 | 25 | 0 | 0 | 0 | 109.8 | L56 | P54-L56 PolarHBondContact O-N 3.27Š|
| 55 | T | 55.2 | Low | 51 | Low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | -60.8 | 114.3 | 164.7 | -60.1 | 0 | 0 | 0 | 0 | 108.7 | P57 | T55-P57 WeakPolarHBondContact O-CD 3.47Š|
| 56 | L | 61.1 | Low | 50.7 | Low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -74.5 | 122.1 | 166.1 | -67.2 | 176 | 0 | 0 | 0 | 108.6 | P54 V58 | P54-L56 PolarHBondContact O-N 3.27Å; L56-V58 PolarHBondContact O-N 2.92Å |
| 57 | P | 63.6 | Low | 50.4 | Low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | trans | -71.4 | 117.9 | 172 | 27.9 | -31.2 | 0 | 0 | 0 | 109.5 | T55 S59 | T55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-S59 PolarHBondContact O-N 3.14Å; P57-S59 VanDerWaalsContact O-N 3.16Å |
| 58 | V | 51.6 | Low | 50.1 | Low | 127 Ų | 127 | 141.2 Ų | 141.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -64.8 | 106.3 | 161.8 | 52.4 | 0 | 0 | 0 | 0 | 108.1 | L56 T60 | L56-V58 PolarHBondContact O-N 2.92Å; V58-T60 VanDerWaalsContact C-N 3.29Å; V58-T60 PolarHBondContact O-N 2.86Å |
| 59 | S | 59.1 | Low | 49.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -68.4 | 90 | 169.4 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | P57 | P57-S59 PolarHBondContact O-N 3.14Å; P57-S59 VanDerWaalsContact O-N 3.16Å |
| 60 | T | 45.3 | Very low | 49.5 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -116.6 | 94.7 | 154.5 | -64.5 | 0 | 0 | 0 | 0 | 106.6 | V58 | V58-T60 VanDerWaalsContact C-N 3.29Å; V58-T60 PolarHBondContact O-N 2.86Å |
| 61 | A | 53 | Low | 49.2 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -131 | 100.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | D63 | A61-D63 PolarHBondContact O-N 2.77Š|
| 62 | T | 53.2 | Low | 49.8 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | -64 | 119.9 | 156.1 | -171.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 63 | D | 45 | Very low | 50 | Low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | -131.8 | 104.2 | 159.2 | -166 | -90.8 | 0 | 0 | 0 | 107.8 | A61 S65 | A61-D63 PolarHBondContact O-N 2.77Å; D63-S65 PolarHBondContact OD1-N 2.92Å |
| 64 | S | 43.4 | Very low | 49.9 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | -100.2 | 91.6 | 167.6 | -62.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 65 | S | 43.9 | Very low | 48.9 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | -172.1 | 76.9 | 159.7 | -82.1 | 0 | 0 | 0 | 0 | 112 | D63 | D63-S65 PolarHBondContact OD1-N 2.92Š|
| 66 | Y | 45.5 | Very low | 48.3 | Very low | 227 Ų | 227 | 132.3 Ų | 132.3 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -118.6 | 79.8 | 154.2 | -102.8 | -88.1 | 0 | 0 | 0 | 109 | | |
| 67 | Y | 41 | Very low | 47.2 | Very low | 223 Ų | 223 | 128.8 Ų | 128.8 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | trans | -78.3 | 117 | 152.2 | -121.4 | -89.9 | 0 | 0 | 0 | 106.5 | | |
| 68 | T | 47.7 | Very low | 46.1 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -142.2 | 133.1 | 145.2 | -160.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 69 | N | 38.1 | Very low | 45.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 59% | 0.594 | 80% | 0.801 | S | S | * | * | | | trans | -85.7 | 122 | -161.5 | -159.6 | -77.7 | 0 | 0 | 0 | 108 | | |
| 70 | Q | 45.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | | | trans | -102.6 | 107.1 | 164.4 | -116.2 | -174.7 | 54.1 | 0 | 0 | 108.8 | | |
| 71 | Q | 47.3 | Very low | 44.5 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -67.2 | 129.4 | 171.5 | -75.4 | 155.4 | -28.4 | 0 | 0 | 110.3 | | |
| 72 | H | 52.5 | Low | 44 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | trans | -129.2 | 131.9 | 158 | -58.3 | -79 | 0 | 0 | 0 | 108.4 | | |
| 73 | P | 50.3 | Low | 43.8 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -89.7 | 172 | -166.6 | 36 | -35 | 0 | 0 | 0 | 114.2 | | |
| 74 | A | 43 | Very low | 43.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -56.8 | 155.3 | -170 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 75 | G | 42 | Very low | 43.6 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | 146.2 | 119.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 76 | G | 41 | Very low | 43.4 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | cis | 150.2 | 132.2 | 9.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 77 | G | 39.9 | Very low | 43.5 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | 109.2 | 112.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 78 | G | 39.3 | Very low | 43.5 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | | | trans | 83.6 | 126.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 79 | G | 38.7 | Very low | 43.4 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | cis | 143.9 | 123.7 | 12.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 80 | G | 43.4 | Very low | 43.6 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | trans | 115 | 115.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 81 | G | 41 | Very low | 43.3 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | 113.3 | 84.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 82 | S | 42.7 | Very low | 43.3 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -76.9 | 177.1 | 151.4 | -128.2 | 0 | 0 | 0 | 0 | 110 | | |
| 83 | P | 48.7 | Very low | 42.9 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 82% | 0.823 | S | S | * | * | | | cis | -133.7 | 166.6 | -10.6 | 32.9 | -12.2 | 0 | 0 | 0 | 114.3 | | |
| 84 | Y | 34.7 | Very low | 42.6 | Very low | 229 Ų | 229 | 124.2 Ų | 124.2 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | | | trans | 15.7 | 105.8 | 149.9 | -127.6 | -100.6 | 0 | 0 | 0 | 118.8 | | |
| 85 | A | 48.6 | Very low | 42.7 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | | | trans | -132.9 | 104.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110 | M87 | A85-M87 HydrophobicContact CB-CE 4.24Å; A85-M87 HydrophobicContact CB-CG 4.31Å; A85-M87 PolarHBondContact O-N 2.91Å |
| 86 | H | 40.9 | Very low | 42.7 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | | | trans | -74.7 | 92 | 172.1 | 175.4 | 76.7 | 0 | 0 | 0 | 109.2 | | |
| 87 | M | 46 | Very low | 43.2 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | | | trans | -147.1 | 129.6 | 178.2 | -41.9 | -72.5 | 165.7 | 0 | 0 | 110.6 | A85 | A85-M87 HydrophobicContact CB-CE 4.24Å; A85-M87 HydrophobicContact CB-CG 4.31Å; A85-M87 PolarHBondContact O-N 2.91Å |
| 88 | G | 41.8 | Very low | 43.5 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | 114.9 | 65.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y90 | G88-Y90 PolarHBondContact O-N 2.74Š|
| 89 | S | 45.2 | Very low | 43.8 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -63.7 | 125.4 | 154 | 179.4 | 0 | 0 | 0 | 0 | 109 | Q91 | S89-Q91 PolarHBondContact O-N 2.93Š|
| 90 | Y | 43.2 | Very low | 44.6 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -63 | 108.2 | 179.3 | -68.3 | -85.5 | 0 | 0 | 0 | 111.1 | G88 Y92 | G88-Y90 PolarHBondContact O-N 2.74Å; Y90-Y92 PolarHBondContact O-N 3.07Å |
| 91 | Q | 40.1 | Very low | 45.2 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -80.6 | 101 | 166.6 | -167.9 | -158.9 | -73.9 | 0 | 0 | 108.2 | S89 Q93 | S89-Q91 PolarHBondContact O-N 2.93Å; Q91-Q93 PolarHBondContact O-N 3.24Å |
| 92 | Y | 45.4 | Very low | 45.3 | Very low | 224 Ų | 224 | 144.2 Ų | 144.2 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -74.3 | 109 | 165 | -110.3 | -91.5 | 0 | 0 | 0 | 108.3 | Y90 A94 | Y90-Y92 PolarHBondContact O-N 3.07Å; Y92-A94 PolarHBondContact O-N 3.48Å |
| 93 | Q | 45.2 | Very low | 45.7 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | trans | -73.2 | 119.4 | 161.7 | -85.3 | -150.7 | -25.4 | 0 | 0 | 109 | Q91 | Q91-Q93 PolarHBondContact O-N 3.24Š|
| 94 | A | 44.5 | Very low | 45.4 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -127.6 | 82.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y92 | Y92-A94 PolarHBondContact O-N 3.48Š|
| 95 | S | 43.6 | Very low | 46.3 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -86.4 | 116.9 | 166.8 | -60.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 96 | G | 43.3 | Very low | 46.3 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 156 | 61.5 | 171 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 97 | L | 51.2 | Low | 46.4 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | 67.7 | 124.2 | 148.3 | -55.5 | 169.7 | 0 | 0 | 0 | 119.1 | | |
| 98 | N | 45.4 | Very low | 46.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 73.6 | 84.3 | 163.3 | -59.7 | -36.6 | 0 | 0 | 0 | 117.1 | | |
| 99 | N | 46.9 | Very low | 46.9 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -153.6 | 138.8 | 140.2 | -128.9 | -7.2 | 0 | 0 | 0 | 114.2 | | |
| 100 | V | 55 | Low | 47.2 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | trans | -69.6 | 136.3 | -177 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 101 | P | 54.9 | Low | 47 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -86 | 116.9 | -179.4 | 32.3 | -30.3 | 0 | 0 | 0 | 111.2 | | |
| 102 | Y | 44.7 | Very low | 47.4 | Very low | 228 Ų | 228 | 142.6 Ų | 142.6 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | | | trans | -87.2 | 110.9 | 158.2 | -95.7 | -86.5 | 0 | 0 | 0 | 109 | | |
| 103 | S | 49.5 | Very low | 47.6 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | | | trans | -78.6 | 113.7 | 177.6 | -178 | 0 | 0 | 0 | 0 | 110.4 | | |
| 104 | A | 44.2 | Very low | 47.7 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -94.9 | 102.3 | 161 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 105 | K | 52.6 | Low | 47.7 | Very low | 153 Ų | 153 | 136 Ų | 136 | 67% | 0.665 | 79% | 0.793 | S | S | * | * | | | trans | -115.5 | 117.1 | 171.3 | 34.9 | 178.8 | 163.4 | 167.9 | 0 | 109.1 | | |
| 106 | S | 48.1 | Very low | 48 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -45.3 | 158.3 | 163.4 | -42.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 107 | S | 44.6 | Very low | 48.3 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | 77.6 | 87.8 | 162.8 | -57.8 | 0 | 0 | 0 | 0 | 117 | | |
| 108 | Y | 45.6 | Very low | 48.3 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -115.2 | 83.2 | 147.4 | -18.2 | -81.6 | 0 | 0 | 0 | 107 | | |
| 109 | D | 51.1 | Low | 48.6 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | trans | -125.9 | 102.7 | 160 | -170.7 | -92.1 | 0 | 0 | 0 | 104.4 | | |
| 110 | L | 51.3 | Low | 48.7 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 151.6 | 121.8 | 161.9 | -106.4 | 63.8 | 0 | 0 | 0 | 110.5 | | |
| 111 | G | 40.5 | Very low | 48.3 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | 90.8 | 63.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 112 | Y | 47.1 | Very low | 48.1 | Very low | 245 Ų | 245 | 143.6 Ų | 143.6 | 96% | 0.961 | 78% | 0.78 | S | S | * | * | | | trans | -127.7 | 64.4 | 152.7 | -118.5 | -91.4 | 0 | 0 | 0 | 109.6 | | |
| 113 | T | 50.1 | Low | 48.3 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -131 | 137.6 | 163.3 | 77.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 114 | A | 46.7 | Very low | 48.2 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 81.1 | 89.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 115 | A | 46.5 | Very low | 48.7 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | | 173.4 | 67.6 | 125.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 116 | Y | 49 | Very low | 48.6 | Very low | 231 Ų | 231 | 137.1 Ų | 137.1 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | -155.4 | 72.6 | 148.5 | -134.2 | -96.6 | 0 | 0 | 0 | 109.3 | | |
| 117 | T | 50.3 | Low | 48.8 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -73.3 | 121.3 | 154.1 | -95.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 118 | S | 50.5 | Low | 49.1 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 52% | 0.524 | 79% | 0.79 | S | S | . | * | | | trans | 169.1 | 115.4 | 136.9 | -83.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 119 | Y | 52 | Low | 49 | Very low | 225 Ų | 225 | 132.4 Ų | 132.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | 67.7 | 125.8 | 167.5 | -50.7 | -80.3 | 0 | 0 | 0 | 116.4 | | |
| 120 | A | 48.2 | Very low | 49.1 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 50% | 0.496 | 80% | 0.797 | S | S | . | * | | | cis | -165.5 | 155.5 | 4.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y122 | A120-Y122 HydrophobicContact CB-CE1 4.21Å; A120-Y122 HydrophobicContact CB-CE2 4.18Å; A120-Y122 WeakPolarHBondContact CB-OH 3.33Å |
| 121 | P | 46.8 | Very low | 49.1 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -116 | 109.5 | 172.8 | 34.7 | -19.9 | 0 | 0 | 0 | 112.1 | | |
| 122 | Y | 51.5 | Low | 49.3 | Very low | 210 Ų | 210 | 136 Ų | 136 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -157.1 | 129.7 | 157.8 | 10.1 | -95.5 | 0 | 0 | 0 | 110 | A120 | A120-Y122 HydrophobicContact CB-CE1 4.21Å; A120-Y122 HydrophobicContact CB-CE2 4.18Å; A120-Y122 WeakPolarHBondContact CB-OH 3.33Å |
| 123 | G | 47.5 | Very low | 49.6 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | 153.5 | 60.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 124 | T | 48.1 | Very low | 49.3 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 127.3 | 162 | 112 | 0 | 0 | 0 | 0 | 107.2 | | |
| 125 | S | 54.4 | Low | 49.7 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | -144.8 | 103.4 | 158.9 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 126 | S | 51.4 | Low | 50.1 | Low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -65.3 | 161.3 | 174.5 | -43.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 127 | S | 52.6 | Low | 50.3 | Low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | 95.1 | 143.1 | 160.5 | -103.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 128 | P | 50.2 | Low | 50.9 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | cis | -133.3 | 166.6 | -27.6 | 27 | -5.1 | 0 | 0 | 0 | 113.9 | | |
| 129 | A | 43.7 | Very low | 51.4 | Low | 105 Ų | 105 | 140.3 Ų | 140.3 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -54.5 | 131.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 130 | N | 52.8 | Low | 51.7 | Low | 167 Ų | 167 | 133.2 Ų | 133.2 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -105.2 | 122 | 163.9 | -146.6 | -50.2 | 0 | 0 | 0 | 107.8 | | |
| 131 | N | 50.8 | Low | 52.4 | Low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | -89.1 | 137.9 | -172.9 | -164.7 | -1.8 | 0 | 0 | 0 | 109.8 | | |
| 132 | E | 46.2 | Very low | 53.1 | Low | 146 Ų | 146 | 135.2 Ų | 135.2 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | 74.9 | 150.5 | 159.2 | -68.2 | -112.5 | 88.1 | 0 | 0 | 121.2 | | |
| 133 | P | 52.7 | Low | 53.7 | Low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | cis | -116.4 | 146.2 | -4.2 | 34.7 | -20.7 | 0 | 0 | 0 | 112.9 | K135 | P133-K135 PolarHBondContact O-N 3.21Å; P133-K135 VanDerWaalsContact O-N 3.14Å |
| 134 | E | 44.4 | Very low | 54.4 | Low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | | | trans | -52.4 | 116.1 | 174.9 | -59.9 | -175.9 | 111.3 | 0 | 0 | 110.4 | E136 | E134-E136 VanDerWaalsContact C-N 3.29Å; E134-E136 PolarHBondContact O-N 2.78Å |
| 135 | K | 54.7 | Low | 55.2 | Low | 199 Ų | 199 | 131.9 Ų | 131.9 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | | | trans | -73.1 | 91 | 174.8 | -173.6 | 176.2 | -176.9 | 176.3 | 0 | 107.2 | P133 D137 | P133-K135 PolarHBondContact O-N 3.21Å; P133-K135 VanDerWaalsContact O-N 3.14Å; K135-D137 PolarHBondContact O-N 2.91Å |
| 136 | E | 54.5 | Low | 55.5 | Low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | | | trans | -47 | 101.5 | 169.6 | -160.5 | 165.4 | 108.9 | 0 | 0 | 108.5 | E134 L138 | E134-E136 VanDerWaalsContact C-N 3.29Å; E134-E136 PolarHBondContact O-N 2.78Å; E136-L138 VanDerWaalsContact C-N 3.29Å; E136-L138 PolarHBondContact O-N 3.48Å |
| 137 | D | 52.8 | Low | 56.1 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | trans | -68.5 | 93.4 | 176.5 | -166.9 | -104.8 | 0 | 0 | 0 | 106.1 | K135 E139 | K135-D137 PolarHBondContact O-N 2.91Å; D137-E139 PolarHBondContact O-N 3.48Å |
| 138 | L | 63.5 | Low | 56.8 | Low | 155 Ų | 155 | 132.9 Ų | 132.9 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | | | trans | -61.9 | 87.9 | 168.4 | -78 | 157.3 | 0 | 0 | 0 | 107.3 | E136 | E136-L138 VanDerWaalsContact C-N 3.29Å; E136-L138 PolarHBondContact O-N 3.48Å |
| 139 | E | 60.4 | Low | 57.5 | Low | 152 Ų | 152 | 132.4 Ų | 132.4 | 71% | 0.71 | 70% | 0.703 | S | S | * | * | | | trans | -45.1 | 128.6 | 174.8 | -162.7 | -152.3 | 136.1 | 0 | 0 | 108.2 | D137 E141 | D137-E139 PolarHBondContact O-N 3.48Å; E139-E141 VanDerWaalsContact C-N 3.31Å; E139-E141 PolarHBondContact O-N 2.96Å |
| 140 | P | 59.2 | Low | 58.7 | Low | 76 Ų | 76 | 133.1 Ų | 133.1 | 49% | 0.494 | 69% | 0.687 | S | S | . | * | | | trans | -65.9 | 92.2 | -177.2 | 26.7 | -35.4 | 0 | 0 | 0 | 110 | I142 | P140-I142 WeakPolarHBondContact O-CG1 3.46Å; P140-I142 PolarHBondContact O-N 3.42Å |
| 141 | E | 61.7 | Low | 59.9 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 54% | 0.537 | 68% | 0.682 | S | S | . | * | | | trans | -51.1 | 107.7 | 179 | -165.1 | -171.7 | 149.9 | 0 | 0 | 110.2 | E139 R143 V152 | E139-E141 VanDerWaalsContact C-N 3.31Å; E139-E141 PolarHBondContact O-N 2.96Å; E141-R143 HydrophobicContact CG-CG 4.06Å; E141-R143 PolarHBondContact O-N 3.07Å; E141-R143 VanDerWaalsContact O-N 3.07Å; E141-R143 WeakPolarHBondContact OE1-CG 3.43Å; E141-R143 IonicContact OE1-CZ 3.71Å; E141-R143 IonicContact OE1-NE 2.91Å; E141-R143 PolarHBondContact OE1-NE 3.32Å; E141-R143 IonicContact OE1-NH2 3.81Å; E141-R143 IonicContact OE2-CZ 3.41Å; E141-R143 IonicContact OE2-NE 3.21Å; E141-R143 PolarHBondContact OE2-NE 3.22Å; E141-R143 IonicContact OE2-NH2 2.78Å; E141-R143 PolarHBondContact OE2-NH2 3.27Å; E141-V152 WeakPolarHBondContact O-CG2 3.46Å |
| 142 | I | 62.4 | Low | 61.2 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 55% | 0.554 | 66% | 0.664 | S | S | * | * | | | trans | -80.6 | 88 | 178.6 | -53.2 | 177.6 | 0 | 0 | 0 | 106.9 | P140 P149 | P140-I142 WeakPolarHBondContact O-CG1 3.46Å; P140-I142 PolarHBondContact O-N 3.42Å; I142-P149 HydrophobicContact CG2-CB 4Å |
| 143 | R | 63.7 | Low | 63.1 | Low | 135 Ų | 135 | 133.3 Ų | 133.3 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | | | trans | -80.1 | 127.4 | 171.6 | -54.5 | -179.7 | -163.9 | 163.5 | 11.4 | 109.7 | E141 V145 V152 | E141-R143 HydrophobicContact CG-CG 4.06Å; E141-R143 PolarHBondContact O-N 3.07Å; E141-R143 VanDerWaalsContact O-N 3.07Å; E141-R143 WeakPolarHBondContact OE1-CG 3.43Å; E141-R143 IonicContact OE1-CZ 3.71Å; E141-R143 IonicContact OE1-NE 2.91Å; E141-R143 PolarHBondContact OE1-NE 3.32Å; E141-R143 IonicContact OE1-NH2 3.81Å; E141-R143 IonicContact OE2-CZ 3.41Å; E141-R143 IonicContact OE2-NE 3.21Å; E141-R143 PolarHBondContact OE2-NE 3.22Å; E141-R143 IonicContact OE2-NH2 2.78Å; E141-R143 PolarHBondContact OE2-NH2 3.27Å; R143-V145 PolarHBondContact O-N 3.27Å; R143-V152 HydrophobicContact CB-CG2 3.62Å; R143-V152 HydrophobicContact CG-CG2 3.97Å |
| 144 | I | 62 | Low | 64.8 | Low | 126 Ų | 126 | 137 Ų | 137 | 65% | 0.646 | 68% | 0.675 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.5 | 108.5 | 175.3 | -55.2 | 169.9 | 0 | 0 | 0 | 107.2 | | |
| 145 | V | 64.5 | Low | 67.1 | Low | 89 Ų | 89 | 134.4 Ų | 134.4 | 54% | 0.539 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.6 | 170.2 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | R143 | R143-V145 PolarHBondContact O-N 3.27Å |
| 146 | N | 61.8 | Low | 68.8 | Low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.5 | 33.3 | 178.9 | -127.1 | 106.2 | 0 | 0 | 0 | 115.3 | K148 | N146-K148 PolarHBondContact O-N 3.16Š|
| 147 | G | 63 | Low | 70.7 | Confident | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.9 | 7.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 148 | K | 67.1 | Low | 72.8 | Confident | 144 Ų | 144 | 134.1 Ų | 134.1 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.7 | 174.9 | -67.1 | -180 | 174.4 | 175.6 | 0 | 109.3 | N146 K150 | N146-K148 PolarHBondContact O-N 3.16Å; K148-K150 PolarHBondContact O-N 2.89Å |
| 149 | P | 66.2 | Low | 74.5 | Confident | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.3 | 105.6 | 172.2 | 25.7 | -31.5 | 0 | 0 | 0 | 108.1 | I142 | I142-P149 HydrophobicContact CG2-CB 4Å |
| 150 | K | 68.9 | Low | 76.3 | Confident | 121 Ų | 121 | 125.1 Ų | 125.1 | 53% | 0.526 | 63% | 0.631 | S | S | . | * | | | trans | -110.7 | 123.8 | 174.9 | -76.5 | -179.4 | 175.5 | 170.6 | 0 | 107.4 | K148 V152 | K148-K150 PolarHBondContact O-N 2.89Å; K150-V152 PolarHBondContact O-N 3.31Å |
| 151 | K | 76.5 | Confident | 78.1 | Confident | 180 Ų | 180 | 126.4 Ų | 126.4 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | | | trans | -58.1 | 107.4 | 173.9 | -161.6 | 164.7 | 177.9 | 176.3 | 0 | 108.5 | R153 | K151-R153 PolarHBondContact O-N 3.48Š|
| 152 | V | 79 | Confident | 79.9 | Confident | 61 Ų | 61 | 127.8 Ų | 127.8 | 37% | 0.37 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 125.4 | -177.2 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | E141 R143 K150 | E141-V152 WeakPolarHBondContact O-CG2 3.46Å; R143-V152 HydrophobicContact CB-CG2 3.62Å; R143-V152 HydrophobicContact CG-CG2 3.97Å; K150-V152 PolarHBondContact O-N 3.31Å |
| 153 | R | 85.5 | Confident | 81.6 | Confident | 214 Ų | 214 | 124.2 Ų | 124.2 | 81% | 0.808 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 141.8 | 174.5 | -62.2 | -177.7 | 79.1 | 107.6 | -0.5 | 108.2 | K151 | K151-R153 PolarHBondContact O-N 3.48Š|
| 154 | K | 89.1 | Confident | 83.3 | Confident | 185 Ų | 185 | 120.8 Ų | 120.8 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 133.8 | 174.4 | -76.6 | 84.3 | 170.8 | -177.2 | 0 | 109.8 | R156 | K154-R156 PolarHBondContact O-N 3.49Š|
| 155 | P | 92.1 | Very high | 85 | Confident | 124 Ų | 124 | 117 Ų | 117 | 81% | 0.805 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 140.9 | 176.4 | 24.3 | -33 | 0 | 0 | 0 | 109.9 | | |
| 156 | R | 92.1 | Very high | 86.6 | Confident | 229 Ų | 229 | 113.8 Ų | 113.8 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 129 | 176.9 | -69.1 | -171.6 | 178.8 | 112.3 | -4.7 | 109.4 | K154 | K154-R156 PolarHBondContact O-N 3.49Š|
| 157 | T | 93.9 | Very high | 88.4 | Confident | 122 Ų | 122 | 106.6 Ų | 106.6 | 75% | 0.748 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 137 | 169.4 | -46.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 158 | I | 96.3 | Very high | 90.1 | Very high | 154 Ų | 154 | 107.3 Ų | 107.3 | 79% | 0.79 | 54% | 0.536 | S | S | * | . | | | trans | -109.5 | 142.3 | 173.2 | 53.7 | 174.7 | 0 | 0 | 0 | 110 | | |
| 159 | Y | 98.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 108.5 Ų | 108.5 | 24% | 0.239 | 54% | 0.536 | C | S | . | . | | | trans | -78.1 | 146.9 | 174.1 | -59.2 | -49.1 | 0 | 0 | 0 | 110.7 | Q163 L164 L191 Q195 W199 | Y159-Q163 VanDerWaalsContact CA-OE1 3.31Å; Y159-L164 HydrophobicContact CD2-CD2 4.19Å; Y159-L191 HydrophobicContact CD1-CD1 4.24Å; Y159-L191 HydrophobicContact CD1-CD2 3.85Å; Y159-L191 HydrophobicContact CE1-CD1 4.13Å; Y159-L191 HydrophobicContact CE1-CD2 3.71Å; Y159-Q195 HydrophobicContact CE1-CB 4.48Å; Y159-Q195 VanDerWaalsContact OH-CB 3.32Å; Y159-Q195 WeakPolarHBondContact OH-CB 3.37Å; Y159-W199 AromaticContact CD2-CD1 3.9Å; Y159-W199 HydrophobicContact CE2-CB 4.45Å; Y159-W199 AromaticContact CE2-CD1 3.73Å; Y159-W199 HydrophobicContact CE2-CG 4.45Å |
| 160 | S | 98.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 107 Ų | 107 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | | | trans | -70.3 | 161.1 | 176.3 | 75.3 | 0 | 0 | 0 | 0 | 112 | F162 Q163 L164 | S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.13Å; S160-Q163 PolarHBondContact O-N 3.31Å; S160-Q163 VanDerWaalsContact O-N 3.16Å; S160-Q163 WeakPolarHBondContact OG-CG 3.4Å; S160-Q163 PolarHBondContact OG-N 2.88Å; S160-L164 WeakPolarHBondContact O-CG 3.44Å; S160-L164 PolarHBondContact O-N 3.01Å |
| 161 | S | 98.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 72% | 0.72 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.8 | -44.2 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | Q163 L164 A165 | S161-Q163 PolarHBondContact O-N 3.19Å; S161-L164 PolarHBondContact O-N 2.98Å; S161-A165 WeakPolarHBondContact O-CB 3.24Å; S161-A165 PolarHBondContact O-N 3.15Å |
| 162 | F | 98.4 | Very high | 95.5 | Very high | 143 Ų | 143 | 100.8 Ų | 100.8 | 63% | 0.627 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.3 | -47.8 | 175.4 | 170.5 | -101.8 | 0 | 0 | 0 | 112.4 | S160 L164 A165 A166 L189 | S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.13Å; F162-L164 VanDerWaalsContact C-N 3.35Å; F162-L164 PolarHBondContact O-N 3Å; F162-A165 PolarHBondContact O-N 3.47Å; F162-A166 PolarHBondContact O-N 2.98Å; F162-L189 HydrophobicContact CD1-CD2 4.35Å; F162-L189 HydrophobicContact CE1-CD2 3.74Å; F162-L189 HydrophobicContact CZ-CD2 4.33Å |
| 163 | Q | 98.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 105.7 Ų | 105.7 | 15% | 0.154 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.9 | -72.2 | 171.4 | -22.3 | 0 | 0 | 111.1 | Y159 S160 S161 A166 L167 L189 | Y159-Q163 VanDerWaalsContact CA-OE1 3.31Å; S160-Q163 PolarHBondContact O-N 3.31Å; S160-Q163 VanDerWaalsContact O-N 3.16Å; S160-Q163 WeakPolarHBondContact OG-CG 3.4Å; S160-Q163 PolarHBondContact OG-N 2.88Å; S161-Q163 PolarHBondContact O-N 3.19Å; Q163-A166 PolarHBondContact O-N 2.95Å; Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CD1 3.43Å; Q163-L167 WeakPolarHBondContact O-CG 3.35Å; Q163-L167 PolarHBondContact O-N 3.34Å; Q163-L189 HydrophobicContact CG-CB 4.43Å; Q163-L189 PolarHBondContact NE2-O 3.33Å |
| 164 | L | 98.6 | Very high | 96.9 | Very high | 64 Ų | 64 | 97.3 Ų | 97.3 | 34% | 0.335 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.8 | -67.9 | 175.1 | 0 | 0 | 0 | 112.1 | Y159 S160 S161 F162 L167 Q168 | Y159-L164 HydrophobicContact CD2-CD2 4.19Å; S160-L164 WeakPolarHBondContact O-CG 3.44Å; S160-L164 PolarHBondContact O-N 3.01Å; S161-L164 PolarHBondContact O-N 2.98Å; F162-L164 VanDerWaalsContact C-N 3.35Å; F162-L164 PolarHBondContact O-N 3Å; L164-L167 PolarHBondContact O-N 3.15Å; L164-Q168 WeakPolarHBondContact O-CB 3.45Å; L164-Q168 WeakPolarHBondContact O-CG 3.32Å; L164-Q168 PolarHBondContact O-N 2.93Å |
| 165 | A | 98.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 91.9 Ų | 91.9 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S161 F162 Q168 R169 | S161-A165 WeakPolarHBondContact O-CB 3.24Å; S161-A165 PolarHBondContact O-N 3.15Å; F162-A165 PolarHBondContact O-N 3.47Å; A165-Q168 PolarHBondContact O-N 3.46Å; A165-R169 WeakPolarHBondContact O-CB 3.44Å; A165-R169 PolarHBondContact O-N 3.29Å |
| 166 | A | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 93.4 Ų | 93.4 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F162 Q163 Q168 R169 R170 L189 | F162-A166 PolarHBondContact O-N 2.98Å; Q163-A166 PolarHBondContact O-N 2.95Å; A166-Q168 VanDerWaalsContact C-N 3.33Å; A166-Q168 PolarHBondContact O-N 3.01Å; A166-R169 PolarHBondContact O-N 3.12Å; A166-R170 PolarHBondContact O-N 3.05Å; A166-L189 HydrophobicContact CB-CD1 4.21Å; A166-L189 HydrophobicContact CB-CD2 3.66Å |
| 167 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.1 | -73 | 165.3 | 0 | 0 | 0 | 111.3 | Q163 L164 R170 F171 L185 L189 L191 V196 W199 F200 | Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CD1 3.43Å; Q163-L167 WeakPolarHBondContact O-CG 3.35Å; Q163-L167 PolarHBondContact O-N 3.34Å; L164-L167 PolarHBondContact O-N 3.15Å; L167-R170 PolarHBondContact O-N 3.44Å; L167-F171 WeakPolarHBondContact O-CB 3.34Å; L167-F171 PolarHBondContact O-N 3.28Å; L167-L185 HydrophobicContact CD2-CD2 4.01Å; L167-L189 HydrophobicContact CD2-CD1 3.96Å; L167-L189 HydrophobicContact CG-CD1 3.8Å; L167-L191 HydrophobicContact CD1-CD1 4.32Å; L167-V196 HydrophobicContact CD2-CG1 4.36Å; L167-W199 VanDerWaalsContact C-CH2 3.48Å; L167-W199 HydrophobicContact CB-CD2 3.96Å; L167-W199 HydrophobicContact CB-CE3 3.96Å; L167-W199 HydrophobicContact CB-CH2 3.63Å; L167-W199 HydrophobicContact CB-CZ2 3.58Å; L167-W199 HydrophobicContact CB-CZ3 3.81Å; L167-W199 HydrophobicContact CD1-CD2 3.9Å; L167-W199 HydrophobicContact CD1-CG 3.9Å; L167-W199 HydrophobicContact CD2-CD2 4.25Å; L167-W199 HydrophobicContact CD2-CE3 4.13Å; L167-W199 HydrophobicContact CG-CD2 4.27Å; L167-W199 HydrophobicContact CG-CE3 4.45Å; L167-W199 WeakPolarHBondContact O-CH2 3.16Å; L167-F200 HydrophobicContact CD2-CE2 4.13Å |
| 168 | Q | 98.3 | Very high | 98.2 | Very high | 84 Ų | 84 | 79.9 Ų | 79.9 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176 | -74.6 | 171.7 | -17.3 | 0 | 0 | 112.2 | L164 A165 A166 R170 F171 Q172 W199 | L164-Q168 WeakPolarHBondContact O-CB 3.45Å; L164-Q168 WeakPolarHBondContact O-CG 3.32Å; L164-Q168 PolarHBondContact O-N 2.93Å; A165-Q168 PolarHBondContact O-N 3.46Å; A166-Q168 VanDerWaalsContact C-N 3.33Å; A166-Q168 PolarHBondContact O-N 3.01Å; Q168-R170 VanDerWaalsContact C-N 3.32Å; Q168-R170 PolarHBondContact O-N 2.88Å; Q168-F171 WeakPolarHBondContact O-CB 3.33Å; Q168-F171 PolarHBondContact O-N 2.94Å; Q168-F171 VanDerWaalsContact O-N 3.14Å; Q168-Q172 WeakPolarHBondContact O-CG 3.34Å; Q168-Q172 PolarHBondContact O-N 3.22Å; Q168-W199 HydrophobicContact CG-CH2 4.21Å; Q168-W199 HydrophobicContact CG-CZ2 4.08Å |
| 169 | R | 98.3 | Very high | 98.3 | Very high | 169 Ų | 169 | 77.8 Ų | 77.8 | 64% | 0.638 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.4 | -43.5 | 177 | -174.2 | -175 | -65.8 | 167.1 | -1.4 | 111.5 | A165 A166 | A165-R169 WeakPolarHBondContact O-CB 3.44Å; A165-R169 PolarHBondContact O-N 3.29Å; A166-R169 PolarHBondContact O-N 3.12Å |
| 170 | R | 98.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 175.9 | -168.8 | 69.6 | -178.5 | -155.9 | 6.5 | 111.6 | A166 L167 Q168 Q172 K173 T174 L177 E181 L185 F200 | A166-R170 PolarHBondContact O-N 3.05Å; L167-R170 PolarHBondContact O-N 3.44Å; Q168-R170 VanDerWaalsContact C-N 3.32Å; Q168-R170 PolarHBondContact O-N 2.88Å; R170-Q172 VanDerWaalsContact C-N 3.29Å; R170-Q172 PolarHBondContact O-N 3.39Å; R170-K173 WeakPolarHBondContact O-CB 3.4Å; R170-K173 PolarHBondContact O-N 3.25Å; R170-T174 PolarHBondContact O-N 2.9Å; R170-L177 HydrophobicContact CG-CD2 3.84Å; R170-E181 IonicContact CZ-OE1 3.92Å; R170-E181 IonicContact NH2-OE1 2.74Å; R170-E181 PolarHBondContact NH2-OE1 3.46Å; R170-L185 HydrophobicContact CB-CD2 4.17Å; R170-L185 HydrophobicContact CG-CD2 4.08Å; R170-F200 HydrophobicContact CB-CZ 4.36Å; R170-F200 HydrophobicContact CG-CZ 4.27Å |
| 171 | F | 98.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 178 | -174.6 | -94.3 | 0 | 0 | 0 | 113.4 | L167 Q168 K173 T174 Q175 W199 F200 R203 R204 F207 | L167-F171 WeakPolarHBondContact O-CB 3.34Å; L167-F171 PolarHBondContact O-N 3.28Å; Q168-F171 WeakPolarHBondContact O-CB 3.33Å; Q168-F171 PolarHBondContact O-N 2.94Å; Q168-F171 VanDerWaalsContact O-N 3.14Å; F171-K173 VanDerWaalsContact C-N 3.29Å; F171-K173 PolarHBondContact O-N 3.28Å; F171-T174 WeakPolarHBondContact CA-O 3.4Å; F171-T174 CarbonylContact O-C 3.39Å; F171-Q175 HydrophobicContact CE1-CG 4.18Å; F171-Q175 HydrophobicContact CE2-CB 3.98Å; F171-Q175 HydrophobicContact CE2-CG 4.09Å; F171-Q175 HydrophobicContact CZ-CB 4.17Å; F171-Q175 HydrophobicContact CZ-CG 3.85Å; F171-W199 HydrophobicContact CB-CH2 4.13Å; F171-W199 HydrophobicContact CB-CZ3 4.02Å; F171-W199 HydrophobicContact CD2-CZ3 4.27Å; F171-W199 HydrophobicContact CG-CZ3 4.38Å; F171-F200 HydrophobicContact CB-CE1 4.28Å; F171-F200 HydrophobicContact CB-CZ 4.4Å; F171-F200 AromaticContact CD2-CD1 3.88Å; F171-F200 HydrophobicContact CD2-CD1 3.88Å; F171-F200 AromaticContact CD2-CE1 3.83Å; F171-F200 HydrophobicContact CD2-CE1 3.83Å; F171-R203 HydrophobicContact CD1-CG 3.79Å; F171-R203 HydrophobicContact CD2-CB 4.13Å; F171-R203 HydrophobicContact CD2-CG 3.52Å; F171-R203 HydrophobicContact CE1-CG 3.73Å; F171-R203 HydrophobicContact CE2-CB 3.96Å; F171-R203 HydrophobicContact CE2-CG 3.46Å; F171-R203 VanDerWaalsContact CE2-CG 3.46Å; F171-R203 HydrophobicContact CG-CG 3.7Å; F171-R203 HydrophobicContact CZ-CB 4.4Å; F171-R203 HydrophobicContact CZ-CG 3.58Å; F171-R204 HydrophobicContact CE2-CG 3.88Å; F171-R204 HydrophobicContact CZ-CG 4.32Å; F171-F207 HydrophobicContact CE1-CD2 4.28Å; F171-F207 HydrophobicContact CE1-CG 4.47Å; F171-F207 HydrophobicContact CZ-CB 4.29Å; F171-F207 HydrophobicContact CZ-CG 4.42Å |
| 172 | Q | 97.7 | Very high | 98.3 | Very high | 161 Ų | 161 | 76.5 Ų | 76.5 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64 | -34.9 | 174.4 | -71.8 | 169.7 | -4.5 | 0 | 0 | 112.1 | Q168 R170 | Q168-Q172 WeakPolarHBondContact O-CG 3.34Å; Q168-Q172 PolarHBondContact O-N 3.22Å; R170-Q172 VanDerWaalsContact C-N 3.29Å; R170-Q172 PolarHBondContact O-N 3.39Å |
| 173 | K | 97.7 | Very high | 98.3 | Very high | 164 Ų | 164 | 71.5 Ų | 71.5 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.9 | -43.6 | 177.3 | -63.7 | -175.2 | 177.1 | -170.8 | 0 | 112.4 | R170 F171 | R170-K173 WeakPolarHBondContact O-CB 3.4Å; R170-K173 PolarHBondContact O-N 3.25Å; F171-K173 VanDerWaalsContact C-N 3.29Å; F171-K173 PolarHBondContact O-N 3.28Å |
| 174 | T | 97.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 24% | 0.239 | 37% | 0.373 | C | S | . | . | | | trans | -148.6 | 132.1 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | R170 F171 Y176 L177 F200 | R170-T174 PolarHBondContact O-N 2.9Å; F171-T174 WeakPolarHBondContact CA-O 3.4Å; F171-T174 CarbonylContact O-C 3.39Å; T174-Y176 VanDerWaalsContact C-N 3.34Å; T174-Y176 PolarHBondContact OG1-N 3.48Å; T174-Y176 PolarHBondContact OG1-O 3.49Å; T174-L177 HydrophobicContact CG2-CD2 3.58Å; T174-F200 WeakPolarHBondContact O-CE1 3.21Å |
| 175 | Q | 97.8 | Very high | 98.3 | Very high | 70 Ų | 70 | 73.6 Ų | 73.6 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -86.7 | -10.1 | 179.5 | -59.2 | 178.8 | -25.6 | 0 | 0 | 112.5 | F171 R204 F207 | F171-Q175 HydrophobicContact CE1-CG 4.18Å; F171-Q175 HydrophobicContact CE2-CB 3.98Å; F171-Q175 HydrophobicContact CE2-CG 4.09Å; F171-Q175 HydrophobicContact CZ-CB 4.17Å; F171-Q175 HydrophobicContact CZ-CG 3.85Å; Q175-R204 WeakPolarHBondContact O-CD 3.34Å; Q175-R204 PolarHBondContact O-NH1 2.9Å; Q175-F207 VanDerWaalsContact NE2-CE1 3.27Å |
| 176 | Y | 98.6 | Very high | 98.3 | Very high | 157 Ų | 157 | 71.6 Ų | 71.6 | 62% | 0.616 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -134.3 | 112 | -178.7 | -64 | -90.5 | 0 | 0 | 0 | 109.3 | T174 R204 | T174-Y176 VanDerWaalsContact C-N 3.34Å; T174-Y176 PolarHBondContact OG1-N 3.48Å; T174-Y176 PolarHBondContact OG1-O 3.49Å; Y176-R204 VanDerWaalsContact CD1-NH1 3.31Å |
| 177 | L | 98.1 | Very high | 98.3 | Very high | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | | | trans | -88.5 | 131.3 | 176.6 | -65.8 | 176.1 | 0 | 0 | 0 | 111.2 | R170 T174 E181 R182 L185 V196 F200 | R170-L177 HydrophobicContact CG-CD2 3.84Å; T174-L177 HydrophobicContact CG2-CD2 3.58Å; L177-E181 HydrophobicContact CD2-CB 4.03Å; L177-R182 HydrophobicContact CB-CB 4.29Å; L177-L185 HydrophobicContact CD1-CD2 3.71Å; L177-V196 HydrophobicContact CD1-CG1 3.98Å; L177-F200 HydrophobicContact CD1-CD1 4.35Å; L177-F200 HydrophobicContact CD1-CD2 3.88Å; L177-F200 HydrophobicContact CD1-CE1 3.88Å; L177-F200 HydrophobicContact CD1-CE2 3.37Å; L177-F200 HydrophobicContact CD1-CG 4.36Å; L177-F200 HydrophobicContact CD1-CZ 3.37Å; L177-F200 HydrophobicContact CD2-CE1 4.4Å; L177-F200 HydrophobicContact CD2-CZ 4.26Å; L177-F200 HydrophobicContact CG-CD1 4.21Å; L177-F200 HydrophobicContact CG-CE1 3.71Å; L177-F200 HydrophobicContact CG-CE2 4.16Å; L177-F200 HydrophobicContact CG-CZ 3.7Å |
| 178 | A | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | | | trans | -66.7 | 167 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P180 E181 R182 | A178-P180 HydrophobicContact CB-CG 4.4Å; A178-E181 HydrophobicContact CB-CG 4.3Å; A178-E181 PolarHBondContact N-OE2 2.89Å; A178-R182 WeakPolarHBondContact O-CB 3.46Å; A178-R182 PolarHBondContact O-N 3.26Å |
| 179 | L | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 75.4 Ų | 75.4 | 58% | 0.576 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.1 | -49.6 | 179.5 | -172.2 | 61.6 | 0 | 0 | 0 | 113.7 | R182 A183 | L179-R182 PolarHBondContact O-N 3.3Å; L179-A183 PolarHBondContact O-N 3.42Å |
| 180 | P | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | -179.9 | 22.6 | -33.2 | 0 | 0 | 0 | 112.3 | A178 R182 A183 E184 | A178-P180 HydrophobicContact CB-CG 4.4Å; P180-R182 VanDerWaalsContact C-N 3.25Å; P180-R182 PolarHBondContact O-N 2.91Å; P180-A183 WeakPolarHBondContact O-CB 3.47Å; P180-A183 PolarHBondContact O-N 2.99Å; P180-E184 WeakPolarHBondContact O-CG 3.36Å; P180-E184 PolarHBondContact O-N 2.98Å |
| 181 | E | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 68.1 Ų | 68.1 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 179.3 | -53.2 | 178.8 | 111.9 | 0 | 0 | 112.4 | R170 L177 A178 L185 | R170-E181 IonicContact CZ-OE1 3.92Å; R170-E181 IonicContact NH2-OE1 2.74Å; R170-E181 PolarHBondContact NH2-OE1 3.46Å; L177-E181 HydrophobicContact CD2-CB 4.03Å; A178-E181 HydrophobicContact CB-CG 4.3Å; A178-E181 PolarHBondContact N-OE2 2.89Å; E181-L185 WeakPolarHBondContact O-CB 3.47Å; E181-L185 PolarHBondContact O-N 3.04Å |
| 182 | R | 98.7 | Very high | 98.3 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 22% | 0.219 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.2 | -177.8 | -168.6 | -58.8 | 169.9 | 8.2 | 111 | L177 A178 L179 P180 L185 A186 Q193 V196 | L177-R182 HydrophobicContact CB-CB 4.29Å; A178-R182 WeakPolarHBondContact O-CB 3.46Å; A178-R182 PolarHBondContact O-N 3.26Å; L179-R182 PolarHBondContact O-N 3.3Å; P180-R182 VanDerWaalsContact C-N 3.25Å; P180-R182 PolarHBondContact O-N 2.91Å; R182-L185 PolarHBondContact O-N 3.25Å; R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 3.5Å; R182-Q193 WeakPolarHBondContact CD-O 3.42Å; R182-Q193 HydrophobicContact CG-CB 4.29Å; R182-Q193 HydrophobicContact CG-CG 4.5Å; R182-V196 HydrophobicContact CG-CB 4.25Å; R182-V196 HydrophobicContact CG-CG1 4.07Å |
| 183 | A | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L179 P180 A186 A187 | L179-A183 PolarHBondContact O-N 3.42Å; P180-A183 WeakPolarHBondContact O-CB 3.47Å; P180-A183 PolarHBondContact O-N 2.99Å; A183-A186 PolarHBondContact O-N 3.03Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 2.87Å |
| 184 | E | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 64.3 Ų | 64.3 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | 176.4 | -70.5 | 169.9 | -160.9 | 0 | 0 | 112.8 | P180 S188 | P180-E184 WeakPolarHBondContact O-CG 3.36Å; P180-E184 PolarHBondContact O-N 2.98Å; E184-S188 WeakPolarHBondContact O-CB 3.16Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 PolarHBondContact O-OG 3.35Å |
| 185 | L | 98.6 | Very high | 98.4 | Very high | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 178.8 | -174.4 | 63.3 | 0 | 0 | 0 | 111.7 | L167 R170 L177 E181 R182 L189 V196 F200 | L167-L185 HydrophobicContact CD2-CD2 4.01Å; R170-L185 HydrophobicContact CB-CD2 4.17Å; R170-L185 HydrophobicContact CG-CD2 4.08Å; L177-L185 HydrophobicContact CD1-CD2 3.71Å; E181-L185 WeakPolarHBondContact O-CB 3.47Å; E181-L185 PolarHBondContact O-N 3.04Å; R182-L185 PolarHBondContact O-N 3.25Å; L185-L189 HydrophobicContact CD1-CD1 3.91Å; L185-L189 HydrophobicContact CD1-CG 4.29Å; L185-L189 HydrophobicContact CG-CD1 4.11Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.06Å; L185-V196 HydrophobicContact CD2-CG1 4Å; L185-F200 HydrophobicContact CD2-CE2 3.94Å; L185-F200 HydrophobicContact CD2-CZ 4.36Å |
| 186 | A | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R182 A183 L189 G190 L191 Q193 V196 | R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 3.5Å; A183-A186 PolarHBondContact O-N 3.03Å; A186-L189 PolarHBondContact O-N 3.05Å; A186-G190 PolarHBondContact O-N 3.45Å; A186-G190 VanDerWaalsContact O-N 3.15Å; A186-L191 CarbonylContact C-O 3.42Å; A186-L191 WeakPolarHBondContact CB-O 3.36Å; A186-L191 PolarHBondContact O-N 3.16Å; A186-L191 VanDerWaalsContact O-O 3.13Å; A186-Q193 HydrophobicContact CB-CG 4.14Å; A186-V196 HydrophobicContact CB-CG2 3.93Å |
| 187 | A | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.2 | -48.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A183 L189 G190 | A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 2.87Å; A187-L189 PolarHBondContact O-N 3.05Å; A187-G190 PolarHBondContact O-N 3.37Å |
| 188 | S | 98.3 | Very high | 98.5 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.9 | -27 | -179.8 | -60.7 | 0 | 0 | 0 | 0 | 114.2 | E184 | E184-S188 WeakPolarHBondContact O-CB 3.16Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 PolarHBondContact O-OG 3.35Å |
| 189 | L | 98.3 | Very high | 98.5 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -103.9 | -1.7 | -176.1 | -63.8 | -177.5 | 0 | 0 | 0 | 114.3 | F162 Q163 A166 L167 L185 A186 A187 L191 | F162-L189 HydrophobicContact CD1-CD2 4.35Å; F162-L189 HydrophobicContact CE1-CD2 3.74Å; F162-L189 HydrophobicContact CZ-CD2 4.33Å; Q163-L189 HydrophobicContact CG-CB 4.43Å; Q163-L189 PolarHBondContact NE2-O 3.33Å; A166-L189 HydrophobicContact CB-CD1 4.21Å; A166-L189 HydrophobicContact CB-CD2 3.66Å; L167-L189 HydrophobicContact CD2-CD1 3.96Å; L167-L189 HydrophobicContact CG-CD1 3.8Å; L185-L189 HydrophobicContact CD1-CD1 3.91Å; L185-L189 HydrophobicContact CD1-CG 4.29Å; L185-L189 HydrophobicContact CG-CD1 4.11Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.06Å; A186-L189 PolarHBondContact O-N 3.05Å; A187-L189 PolarHBondContact O-N 3.05Å; L189-L191 VanDerWaalsContact C-N 3.26Å; L189-L191 HydrophobicContact CB-CD1 4.1Å; L189-L191 HydrophobicContact CB-CG 3.99Å; L189-L191 HydrophobicContact CD1-CD1 4.34Å; L189-L191 PolarHBondContact O-N 3.01Å |
| 190 | G | 98.2 | Very high | 98.5 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 33.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A186 A187 | A186-G190 PolarHBondContact O-N 3.45Å; A186-G190 VanDerWaalsContact O-N 3.15Å; A187-G190 PolarHBondContact O-N 3.37Å |
| 191 | L | 98.3 | Very high | 98.5 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | | | trans | -112.6 | 159.5 | 179.2 | -62.6 | -178.9 | 0 | 0 | 0 | 110.4 | Y159 L167 A186 L189 Q195 V196 | Y159-L191 HydrophobicContact CD1-CD1 4.24Å; Y159-L191 HydrophobicContact CD1-CD2 3.85Å; Y159-L191 HydrophobicContact CE1-CD1 4.13Å; Y159-L191 HydrophobicContact CE1-CD2 3.71Å; L167-L191 HydrophobicContact CD1-CD1 4.32Å; A186-L191 CarbonylContact C-O 3.42Å; A186-L191 WeakPolarHBondContact CB-O 3.36Å; A186-L191 PolarHBondContact O-N 3.16Å; A186-L191 VanDerWaalsContact O-O 3.13Å; L189-L191 VanDerWaalsContact C-N 3.26Å; L189-L191 HydrophobicContact CB-CD1 4.1Å; L189-L191 HydrophobicContact CB-CG 3.99Å; L189-L191 HydrophobicContact CD1-CD1 4.34Å; L189-L191 PolarHBondContact O-N 3.01Å; L191-Q195 HydrophobicContact CB-CB 4.41Å; L191-V196 HydrophobicContact CB-CG2 4.17Å; L191-V196 HydrophobicContact CD1-CG2 4.44Å |
| 192 | T | 98.5 | Very high | 98.5 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | | | trans | -78.6 | 151.5 | 170 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | T194 Q195 V196 | T192-T194 PolarHBondContact O-N 2.92Å; T192-T194 VanDerWaalsContact O-N 3.15Å; T192-Q195 WeakPolarHBondContact O-CB 3.45Å; T192-Q195 PolarHBondContact O-N 3.25Å; T192-Q195 WeakPolarHBondContact OG1-CB 3.39Å; T192-Q195 VanDerWaalsContact OG1-CG 3.24Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.47Å; T192-Q195 PolarHBondContact OG1-N 3.45Å; T192-Q195 VanDerWaalsContact OG1-N 3.13Å; T192-Q195 PolarHBondContact OG1-OE1 2.98Å; T192-V196 PolarHBondContact O-N 2.99Å; T192-V196 VanDerWaalsContact O-N 3.12Å |
| 193 | Q | 98.7 | Very high | 98.5 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.6 | -34.9 | 173.4 | -67.2 | -178.9 | 48.3 | 0 | 0 | 111.9 | R182 A186 V196 K197 | R182-Q193 WeakPolarHBondContact CD-O 3.42Å; R182-Q193 HydrophobicContact CG-CB 4.29Å; R182-Q193 HydrophobicContact CG-CG 4.5Å; A186-Q193 HydrophobicContact CB-CG 4.14Å; Q193-V196 PolarHBondContact O-N 3.47Å; Q193-K197 WeakPolarHBondContact O-CB 3.35Å; Q193-K197 PolarHBondContact O-N 3.31Å |
| 194 | T | 98.4 | Very high | 98.4 | Very high | 88 Ų | 88 | 62 Ų | 62 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | T192 V196 K197 I198 | T192-T194 PolarHBondContact O-N 2.92Å; T192-T194 VanDerWaalsContact O-N 3.15Å; T194-V196 PolarHBondContact O-N 3.44Å; T194-K197 WeakPolarHBondContact O-CB 3.5Å; T194-K197 PolarHBondContact O-N 2.93Å; T194-I198 HydrophobicContact CG2-CD1 3.86Å; T194-I198 HydrophobicContact CG2-CG1 4.43Å; T194-I198 WeakPolarHBondContact O-CG1 3.31Å; T194-I198 PolarHBondContact O-N 3.41Å |
| 195 | Q | 98.2 | Very high | 98.4 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 175.4 | -81.3 | 167 | -39.7 | 0 | 0 | 111.6 | Y159 L191 T192 I198 W199 | Y159-Q195 HydrophobicContact CE1-CB 4.48Å; Y159-Q195 VanDerWaalsContact OH-CB 3.32Å; Y159-Q195 WeakPolarHBondContact OH-CB 3.37Å; L191-Q195 HydrophobicContact CB-CB 4.41Å; T192-Q195 WeakPolarHBondContact O-CB 3.45Å; T192-Q195 PolarHBondContact O-N 3.25Å; T192-Q195 WeakPolarHBondContact OG1-CB 3.39Å; T192-Q195 VanDerWaalsContact OG1-CG 3.24Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.47Å; T192-Q195 PolarHBondContact OG1-N 3.45Å; T192-Q195 VanDerWaalsContact OG1-N 3.13Å; T192-Q195 PolarHBondContact OG1-OE1 2.98Å; Q195-I198 PolarHBondContact O-N 2.83Å; Q195-W199 WeakPolarHBondContact O-CB 3.39Å; Q195-W199 PolarHBondContact O-N 3.2Å |
| 196 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | L167 L177 R182 L185 A186 L191 T192 Q193 T194 I198 W199 F200 | L167-V196 HydrophobicContact CD2-CG1 4.36Å; L177-V196 HydrophobicContact CD1-CG1 3.98Å; R182-V196 HydrophobicContact CG-CB 4.25Å; R182-V196 HydrophobicContact CG-CG1 4.07Å; L185-V196 HydrophobicContact CD2-CG1 4Å; A186-V196 HydrophobicContact CB-CG2 3.93Å; L191-V196 HydrophobicContact CB-CG2 4.17Å; L191-V196 HydrophobicContact CD1-CG2 4.44Å; T192-V196 PolarHBondContact O-N 2.99Å; T192-V196 VanDerWaalsContact O-N 3.12Å; Q193-V196 PolarHBondContact O-N 3.47Å; T194-V196 PolarHBondContact O-N 3.44Å; V196-I198 PolarHBondContact O-N 2.96Å; V196-W199 PolarHBondContact O-N 2.84Å; V196-F200 HydrophobicContact CG1-CD2 3.85Å; V196-F200 HydrophobicContact CG1-CE2 4.01Å; V196-F200 WeakPolarHBondContact O-CD2 3.49Å; V196-F200 PolarHBondContact O-N 3.43Å |
| 197 | K | 98.5 | Very high | 98.1 | Very high | 112 Ų | 112 | 67.2 Ų | 67.2 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.6 | -48.9 | 176.9 | 179.5 | -172.3 | 176.1 | -177.3 | 0 | 111.8 | Q193 T194 F200 Q201 | Q193-K197 WeakPolarHBondContact O-CB 3.35Å; Q193-K197 PolarHBondContact O-N 3.31Å; T194-K197 WeakPolarHBondContact O-CB 3.5Å; T194-K197 PolarHBondContact O-N 2.93Å; K197-F200 PolarHBondContact O-N 2.97Å; K197-Q201 WeakPolarHBondContact O-CB 3.45Å; K197-Q201 PolarHBondContact O-N 3.42Å |
| 198 | I | 98.5 | Very high | 97.9 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 40% | 0.395 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 179.7 | -69.3 | 170 | 0 | 0 | 0 | 110.3 | T194 Q195 V196 F200 Q201 N202 | T194-I198 HydrophobicContact CG2-CD1 3.86Å; T194-I198 HydrophobicContact CG2-CG1 4.43Å; T194-I198 WeakPolarHBondContact O-CG1 3.31Å; T194-I198 PolarHBondContact O-N 3.41Å; Q195-I198 PolarHBondContact O-N 2.83Å; V196-I198 PolarHBondContact O-N 2.96Å; I198-F200 PolarHBondContact O-N 3.49Å; I198-Q201 PolarHBondContact O-N 3.28Å; I198-N202 WeakPolarHBondContact O-CB 3.34Å; I198-N202 PolarHBondContact O-N 3.3Å; I198-N202 PolarHBondContact O-ND2 3.37Å |
| 199 | W | 98.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 11% | 0.114 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 177.6 | -173.5 | 98.7 | 0 | 0 | 0 | 111.4 | Y159 L167 Q168 F171 Q195 V196 Q201 N202 R203 | Y159-W199 AromaticContact CD2-CD1 3.9Å; Y159-W199 HydrophobicContact CE2-CB 4.45Å; Y159-W199 AromaticContact CE2-CD1 3.73Å; Y159-W199 HydrophobicContact CE2-CG 4.45Å; L167-W199 VanDerWaalsContact C-CH2 3.48Å; L167-W199 HydrophobicContact CB-CD2 3.96Å; L167-W199 HydrophobicContact CB-CE3 3.96Å; L167-W199 HydrophobicContact CB-CH2 3.63Å; L167-W199 HydrophobicContact CB-CZ2 3.58Å; L167-W199 HydrophobicContact CB-CZ3 3.81Å; L167-W199 HydrophobicContact CD1-CD2 3.9Å; L167-W199 HydrophobicContact CD1-CG 3.9Å; L167-W199 HydrophobicContact CD2-CD2 4.25Å; L167-W199 HydrophobicContact CD2-CE3 4.13Å; L167-W199 HydrophobicContact CG-CD2 4.27Å; L167-W199 HydrophobicContact CG-CE3 4.45Å; L167-W199 WeakPolarHBondContact O-CH2 3.16Å; Q168-W199 HydrophobicContact CG-CH2 4.21Å; Q168-W199 HydrophobicContact CG-CZ2 4.08Å; F171-W199 HydrophobicContact CB-CH2 4.13Å; F171-W199 HydrophobicContact CB-CZ3 4.02Å; F171-W199 HydrophobicContact CD2-CZ3 4.27Å; F171-W199 HydrophobicContact CG-CZ3 4.38Å; Q195-W199 WeakPolarHBondContact O-CB 3.39Å; Q195-W199 PolarHBondContact O-N 3.2Å; V196-W199 PolarHBondContact O-N 2.84Å; W199-Q201 VanDerWaalsContact C-N 3.34Å; W199-Q201 PolarHBondContact O-N 3.03Å; W199-N202 PolarHBondContact O-N 2.74Å; W199-R203 HydrophobicContact CE3-CB 4.13Å; W199-R203 HydrophobicContact CH2-CB 4.15Å; W199-R203 HydrophobicContact CH2-CG 3.85Å; W199-R203 HydrophobicContact CZ2-CG 4.49Å; W199-R203 HydrophobicContact CZ3-CB 3.9Å; W199-R203 HydrophobicContact CZ3-CG 3.94Å; W199-R203 VanDerWaalsContact O-CB 3.31Å; W199-R203 WeakPolarHBondContact O-CB 3.43Å; W199-R203 PolarHBondContact O-N 3.45Å |
| 200 | F | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 76.7 Ų | 76.7 | 2% | 0.022 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 177.2 | -93.2 | -100.9 | 0 | 0 | 0 | 112.2 | L167 R170 F171 T174 L177 L185 V196 K197 I198 R203 R204 | L167-F200 HydrophobicContact CD2-CE2 4.13Å; R170-F200 HydrophobicContact CB-CZ 4.36Å; R170-F200 HydrophobicContact CG-CZ 4.27Å; F171-F200 HydrophobicContact CB-CE1 4.28Å; F171-F200 HydrophobicContact CB-CZ 4.4Å; F171-F200 AromaticContact CD2-CD1 3.88Å; F171-F200 HydrophobicContact CD2-CD1 3.88Å; F171-F200 AromaticContact CD2-CE1 3.83Å; F171-F200 HydrophobicContact CD2-CE1 3.83Å; T174-F200 WeakPolarHBondContact O-CE1 3.21Å; L177-F200 HydrophobicContact CD1-CD1 4.35Å; L177-F200 HydrophobicContact CD1-CD2 3.88Å; L177-F200 HydrophobicContact CD1-CE1 3.88Å; L177-F200 HydrophobicContact CD1-CE2 3.37Å; L177-F200 HydrophobicContact CD1-CG 4.36Å; L177-F200 HydrophobicContact CD1-CZ 3.37Å; L177-F200 HydrophobicContact CD2-CE1 4.4Å; L177-F200 HydrophobicContact CD2-CZ 4.26Å; L177-F200 HydrophobicContact CG-CD1 4.21Å; L177-F200 HydrophobicContact CG-CE1 3.71Å; L177-F200 HydrophobicContact CG-CE2 4.16Å; L177-F200 HydrophobicContact CG-CZ 3.7Å; L185-F200 HydrophobicContact CD2-CE2 3.94Å; L185-F200 HydrophobicContact CD2-CZ 4.36Å; V196-F200 HydrophobicContact CG1-CD2 3.85Å; V196-F200 HydrophobicContact CG1-CE2 4.01Å; V196-F200 WeakPolarHBondContact O-CD2 3.49Å; V196-F200 PolarHBondContact O-N 3.43Å; K197-F200 PolarHBondContact O-N 2.97Å; I198-F200 PolarHBondContact O-N 3.49Å; F200-R203 PolarHBondContact O-N 2.97Å; F200-R204 WeakPolarHBondContact O-CG 3.4Å; F200-R204 PolarHBondContact O-N 3.46Å |
| 201 | Q | 98.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 80.8 Ų | 80.8 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 175.2 | -175.2 | 176.8 | 51.7 | 0 | 0 | 111.5 | K197 I198 W199 R203 R204 S205 | K197-Q201 WeakPolarHBondContact O-CB 3.45Å; K197-Q201 PolarHBondContact O-N 3.42Å; I198-Q201 PolarHBondContact O-N 3.28Å; W199-Q201 VanDerWaalsContact C-N 3.34Å; W199-Q201 PolarHBondContact O-N 3.03Å; Q201-R203 VanDerWaalsContact C-N 3.31Å; Q201-R203 PolarHBondContact O-N 3.41Å; Q201-R204 PolarHBondContact O-N 3.39Å; Q201-S205 PolarHBondContact O-N 3.2Å; Q201-S205 PolarHBondContact O-OG 2.91Å |
| 202 | N | 98.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 88.6 Ų | 88.6 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.2 | -72.3 | -20.9 | 0 | 0 | 0 | 111.6 | I198 W199 S205 K206 | I198-N202 WeakPolarHBondContact O-CB 3.34Å; I198-N202 PolarHBondContact O-N 3.3Å; I198-N202 PolarHBondContact O-ND2 3.37Å; W199-N202 PolarHBondContact O-N 2.74Å; N202-S205 PolarHBondContact O-N 2.94Å; N202-K206 PolarHBondContact O-N 3.06Å |
| 203 | R | 98.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 88.4 Ų | 88.4 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178 | -173.9 | 63.8 | -175.6 | 175.5 | 2.4 | 111.6 | F171 W199 F200 Q201 K206 F207 | F171-R203 HydrophobicContact CD1-CG 3.79Å; F171-R203 HydrophobicContact CD2-CB 4.13Å; F171-R203 HydrophobicContact CD2-CG 3.52Å; F171-R203 HydrophobicContact CE1-CG 3.73Å; F171-R203 HydrophobicContact CE2-CB 3.96Å; F171-R203 HydrophobicContact CE2-CG 3.46Å; F171-R203 VanDerWaalsContact CE2-CG 3.46Å; F171-R203 HydrophobicContact CG-CG 3.7Å; F171-R203 HydrophobicContact CZ-CB 4.4Å; F171-R203 HydrophobicContact CZ-CG 3.58Å; W199-R203 HydrophobicContact CE3-CB 4.13Å; W199-R203 HydrophobicContact CH2-CB 4.15Å; W199-R203 HydrophobicContact CH2-CG 3.85Å; W199-R203 HydrophobicContact CZ2-CG 4.49Å; W199-R203 HydrophobicContact CZ3-CB 3.9Å; W199-R203 HydrophobicContact CZ3-CG 3.94Å; W199-R203 VanDerWaalsContact O-CB 3.31Å; W199-R203 WeakPolarHBondContact O-CB 3.43Å; W199-R203 PolarHBondContact O-N 3.45Å; F200-R203 PolarHBondContact O-N 2.97Å; Q201-R203 VanDerWaalsContact C-N 3.31Å; Q201-R203 PolarHBondContact O-N 3.41Å; R203-K206 PolarHBondContact O-N 3.33Å; R203-F207 WeakPolarHBondContact O-CB 3.46Å; R203-F207 PolarHBondContact O-N 2.9Å |
| 204 | R | 98.1 | Very high | 93 | Very high | 63 Ų | 63 | 87.1 Ų | 87.1 | 24% | 0.238 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 173.5 | -73.8 | -168.9 | -63.1 | -103.9 | 3.5 | 112.4 | F171 Q175 Y176 F200 Q201 K206 F207 K208 | F171-R204 HydrophobicContact CE2-CG 3.88Å; F171-R204 HydrophobicContact CZ-CG 4.32Å; Q175-R204 WeakPolarHBondContact O-CD 3.34Å; Q175-R204 PolarHBondContact O-NH1 2.9Å; Y176-R204 VanDerWaalsContact CD1-NH1 3.31Å; F200-R204 WeakPolarHBondContact O-CG 3.4Å; F200-R204 PolarHBondContact O-N 3.46Å; Q201-R204 PolarHBondContact O-N 3.39Å; R204-K206 PolarHBondContact O-N 3.39Å; R204-F207 PolarHBondContact O-N 3.14Å; R204-K208 WeakPolarHBondContact O-CB 3.41Å; R204-K208 PolarHBondContact O-N 2.86Å |
| 205 | S | 97.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 90.3 Ų | 90.3 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 175.9 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | Q201 N202 K209 | Q201-S205 PolarHBondContact O-N 3.2Å; Q201-S205 PolarHBondContact O-OG 2.91Å; N202-S205 PolarHBondContact O-N 2.94Å; S205-K209 WeakPolarHBondContact O-CB 3.38Å; S205-K209 PolarHBondContact O-N 2.93Å |
| 206 | K | 95.9 | Very high | 89.2 | Confident | 128 Ų | 128 | 90.9 Ų | 90.9 | 56% | 0.557 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 175.9 | -171.7 | 177.2 | -179.4 | 178 | 0 | 111.7 | N202 R203 R204 K209 M210 | N202-K206 PolarHBondContact O-N 3.06Å; R203-K206 PolarHBondContact O-N 3.33Å; R204-K206 PolarHBondContact O-N 3.39Å; K206-K209 PolarHBondContact O-N 2.86Å; K206-M210 PolarHBondContact O-N 3.31Å |
| 207 | F | 94.9 | Very high | 87.1 | Confident | 61 Ų | 61 | 95.6 Ų | 95.6 | 27% | 0.268 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 177.4 | -173.7 | -99.5 | 0 | 0 | 0 | 111.2 | F171 Q175 R203 R204 K209 M210 W211 | F171-F207 HydrophobicContact CE1-CD2 4.28Å; F171-F207 HydrophobicContact CE1-CG 4.47Å; F171-F207 HydrophobicContact CZ-CB 4.29Å; F171-F207 HydrophobicContact CZ-CG 4.42Å; Q175-F207 VanDerWaalsContact NE2-CE1 3.27Å; R203-F207 WeakPolarHBondContact O-CB 3.46Å; R203-F207 PolarHBondContact O-N 2.9Å; R204-F207 PolarHBondContact O-N 3.14Å; F207-K209 VanDerWaalsContact C-N 3.31Å; F207-K209 PolarHBondContact O-N 3Å; F207-M210 PolarHBondContact O-N 2.88Å; F207-W211 AromaticContact CD1-NE1 3.93Å; F207-W211 AromaticContact CD2-NE1 3.87Å; F207-W211 AromaticContact CE1-CD1 3.99Å; F207-W211 HydrophobicContact CE1-CD2 4.44Å; F207-W211 AromaticContact CE1-CE2 3.71Å; F207-W211 HydrophobicContact CE1-CZ2 4.08Å; F207-W211 AromaticContact CE1-NE1 3.39Å; F207-W211 HydrophobicContact CE2-CZ2 4.4Å; F207-W211 AromaticContact CE2-NE1 3.32Å; F207-W211 VanDerWaalsContact CE2-NE1 3.32Å; F207-W211 AromaticContact CZ-CE2 3.44Å; F207-W211 VanDerWaalsContact CZ-CE2 3.44Å; F207-W211 AromaticContact CZ-CZ2 3.57Å; F207-W211 HydrophobicContact CZ-CZ2 3.57Å; F207-W211 AromaticContact CZ-NE1 3.06Å; F207-W211 PolarHBondContact O-N 3.33Å |
| 208 | K | 95.6 | Very high | 84.7 | Confident | 149 Ų | 149 | 95.9 Ų | 95.9 | 65% | 0.648 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.2 | -39.3 | 176.1 | -174.9 | 178.2 | 68 | 175 | 0 | 112.8 | R204 W211 K212 | R204-K208 WeakPolarHBondContact O-CB 3.41Å; R204-K208 PolarHBondContact O-N 2.86Å; K208-W211 PolarHBondContact O-N 3.32Å; K208-K212 PolarHBondContact O-N 3.19Å |
| 209 | K | 93.2 | Very high | 82.4 | Confident | 161 Ų | 161 | 99.5 Ų | 99.5 | 70% | 0.7 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 178.5 | -175.1 | 176 | 176.2 | 178.8 | 0 | 111.3 | S205 K206 F207 W211 K212 S213 | S205-K209 WeakPolarHBondContact O-CB 3.38Å; S205-K209 PolarHBondContact O-N 2.93Å; K206-K209 PolarHBondContact O-N 2.86Å; F207-K209 VanDerWaalsContact C-N 3.31Å; F207-K209 PolarHBondContact O-N 3Å; K209-W211 VanDerWaalsContact C-N 3.3Å; K209-W211 PolarHBondContact O-N 3.23Å; K209-K212 PolarHBondContact O-N 3.34Å; K209-S213 PolarHBondContact O-N 3.02Å; K209-S213 VanDerWaalsContact O-N 3.15Å; K209-S213 PolarHBondContact O-OG 3.26Å; K209-S213 VanDerWaalsContact O-OG 3.1Å |
| 210 | M | 89.2 | Confident | 79.9 | Confident | 76 Ų | 76 | 105 Ų | 105 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 179 | -171.3 | 177.5 | -71.5 | 0 | 0 | 112.5 | K206 F207 S213 E215 | K206-M210 PolarHBondContact O-N 3.31Å; F207-M210 PolarHBondContact O-N 2.88Å; M210-S213 PolarHBondContact O-OG 3.3Å; M210-E215 WeakPolarHBondContact CG-O 3.46Å |
| 211 | W | 84.1 | Confident | 77.1 | Confident | 156 Ų | 156 | 113.4 Ų | 113.4 | 59% | 0.591 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.7 | -29.7 | 177.5 | -76.9 | 54.7 | 0 | 0 | 0 | 113.6 | F207 K208 K209 I216 | F207-W211 AromaticContact CD1-NE1 3.93Å; F207-W211 AromaticContact CD2-NE1 3.87Å; F207-W211 AromaticContact CE1-CD1 3.99Å; F207-W211 HydrophobicContact CE1-CD2 4.44Å; F207-W211 AromaticContact CE1-CE2 3.71Å; F207-W211 HydrophobicContact CE1-CZ2 4.08Å; F207-W211 AromaticContact CE1-NE1 3.39Å; F207-W211 HydrophobicContact CE2-CZ2 4.4Å; F207-W211 AromaticContact CE2-NE1 3.32Å; F207-W211 VanDerWaalsContact CE2-NE1 3.32Å; F207-W211 AromaticContact CZ-CE2 3.44Å; F207-W211 VanDerWaalsContact CZ-CE2 3.44Å; F207-W211 AromaticContact CZ-CZ2 3.57Å; F207-W211 HydrophobicContact CZ-CZ2 3.57Å; F207-W211 AromaticContact CZ-NE1 3.06Å; F207-W211 PolarHBondContact O-N 3.33Å; K208-W211 PolarHBondContact O-N 3.32Å; K209-W211 VanDerWaalsContact C-N 3.3Å; K209-W211 PolarHBondContact O-N 3.23Å; W211-I216 HydrophobicContact CB-CD1 4.4Å; W211-I216 HydrophobicContact CD2-CD1 4.1Å; W211-I216 HydrophobicContact CE3-CD1 4.33Å; W211-I216 HydrophobicContact CG-CD1 4.14Å |
| 212 | K | 79.3 | Confident | 74.5 | Confident | 185 Ų | 185 | 113.9 Ų | 113.9 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -82.2 | -26.6 | 178.9 | -168.2 | 119.5 | 76.3 | 175.3 | 0 | 112.8 | K208 K209 G214 | K208-K212 PolarHBondContact O-N 3.19Å; K209-K212 PolarHBondContact O-N 3.34Å; K212-G214 VanDerWaalsContact C-N 3.27Å; K212-G214 PolarHBondContact O-N 3.48Å |
| 213 | S | 74.8 | Confident | 71.7 | Confident | 71 Ų | 71 | 112.6 Ų | 112.6 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -80.8 | -0.5 | -179.7 | 47.6 | 0 | 0 | 0 | 0 | 114.2 | K209 M210 E215 | K209-S213 PolarHBondContact O-N 3.02Å; K209-S213 VanDerWaalsContact O-N 3.15Å; K209-S213 PolarHBondContact O-OG 3.26Å; K209-S213 VanDerWaalsContact O-OG 3.1Å; M210-S213 PolarHBondContact O-OG 3.3Å; S213-E215 PolarHBondContact O-N 3.1Å |
| 214 | G | 66.3 | Low | 69 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 66.7 | -11 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K212 I216 | K212-G214 VanDerWaalsContact C-N 3.27Å; K212-G214 PolarHBondContact O-N 3.48Å; G214-I216 PolarHBondContact O-N 3.15Å |
| 215 | E | 57.6 | Low | 66.4 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 72% | 0.724 | 64% | 0.641 | S | S | * | * | | | trans | -80 | 59 | 170.6 | -159.9 | -176.2 | -166.6 | 0 | 0 | 109.9 | M210 S213 | M210-E215 WeakPolarHBondContact CG-O 3.46Å; S213-E215 PolarHBondContact O-N 3.1Å |
| 216 | I | 58.9 | Low | 63.8 | Low | 67 Ų | 67 | 117.5 Ų | 117.5 | 34% | 0.344 | 66% | 0.655 | S | S | . | * | | | trans | -94.1 | 117 | 160.4 | -42.9 | 172.5 | 0 | 0 | 0 | 103.6 | W211 G214 S218 | W211-I216 HydrophobicContact CB-CD1 4.4Å; W211-I216 HydrophobicContact CD2-CD1 4.1Å; W211-I216 HydrophobicContact CE3-CD1 4.33Å; W211-I216 HydrophobicContact CG-CD1 4.14Å; G214-I216 PolarHBondContact O-N 3.15Å; I216-S218 VanDerWaalsContact C-N 3.27Å; I216-S218 PolarHBondContact O-N 3.15Å |
| 217 | P | 54.5 | Low | 61.7 | Low | 101 Ų | 101 | 117.1 Ų | 117.1 | 66% | 0.656 | 67% | 0.669 | S | S | * | * | | | trans | -57.9 | 105.5 | 156.4 | -14.3 | 28.2 | 0 | 0 | 0 | 104.8 | E219 | P217-E219 PolarHBondContact O-N 3.2Š|
| 218 | S | 48.4 | Very low | 59.8 | Low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | | | trans | -60.3 | 81 | 165.5 | -64.3 | 0 | 0 | 0 | 0 | 106.8 | I216 Q220 | I216-S218 VanDerWaalsContact C-N 3.27Å; I216-S218 PolarHBondContact O-N 3.15Å; S218-Q220 VanDerWaalsContact C-N 3.32Å; S218-Q220 PolarHBondContact O-N 3.4Å |
| 219 | E | 49.6 | Very low | 57.3 | Low | 153 Ų | 153 | 118.9 Ų | 118.9 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | | | trans | -61.3 | 103.2 | 165.4 | -89.8 | -130.2 | 101.8 | 0 | 0 | 106.5 | P217 | P217-E219 PolarHBondContact O-N 3.2Š|
| 220 | Q | 46.1 | Very low | 54.9 | Low | 145 Ų | 145 | 117 Ų | 117 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | | | trans | 58.3 | 81.5 | 142.5 | -55.5 | -179.3 | 25.1 | 0 | 0 | 114.3 | S218 P222 | S218-Q220 VanDerWaalsContact C-N 3.32Å; S218-Q220 PolarHBondContact O-N 3.4Å; Q220-P222 WeakPolarHBondContact O-CD 3.18Å |
| 221 | H | 39.8 | Very low | 52.5 | Low | 183 Ų | 183 | 117.3 Ų | 117.3 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | | | trans | -91.4 | 88 | 136.9 | -125.2 | -83.5 | 0 | 0 | 0 | 107.2 | G223 | H221-G223 PolarHBondContact O-N 3.49Š|
| 222 | P | 43.3 | Very low | 50.9 | Low | 114 Ų | 114 | 115.3 Ų | 115.3 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | | | trans | -80.2 | 104.8 | 167.3 | 32 | -25.8 | 0 | 0 | 0 | 106.7 | Q220 | Q220-P222 WeakPolarHBondContact O-CD 3.18Š|
| 223 | G | 39.6 | Very low | 49.6 | Very low | 72 Ų | 72 | 112.3 Ų | 112.3 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | | | trans | 156.8 | -2.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | H221 | H221-G223 PolarHBondContact O-N 3.49Š|
| 224 | A | 42.5 | Very low | 48.4 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -99.5 | 19.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 225 | S | 42.6 | Very low | 47.6 | Very low | 118 Ų | 118 | 118 Ų | 118 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -131.7 | 71.1 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 226 | A | 43 | Very low | 47.3 | Very low | 93 Ų | 93 | 116 Ų | 116 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -168 | 83.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 227 | S | 52.3 | Low | 47.2 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -163.6 | 140.2 | 145.4 | -79.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 228 | P | 54.4 | Low | 47 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | -92.6 | 171.5 | -157.4 | 10.7 | 11.1 | 0 | 0 | 0 | 112.6 | C230 | P228-C230 PolarHBondContact O-N 3.42Š|
| 229 | P | 44 | Very low | 47 | Very low | 132 Ų | 132 | 116.7 Ų | 116.7 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -76.4 | 119.7 | -175.6 | 32 | -31.5 | 0 | 0 | 0 | 109.9 | | |
| 230 | C | 41.7 | Very low | 46.9 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -148 | 108 | 165.7 | -164.7 | 0 | 0 | 0 | 0 | 111.4 | P228 | P228-C230 PolarHBondContact O-N 3.42Š|
| 231 | A | 40.2 | Very low | 47.1 | Very low | 83 Ų | 83 | 118 Ų | 118 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | trans | 50.2 | 112.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 232 | S | 50.1 | Low | 47.3 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 112.2 | 111.6 | 136.6 | -44.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 233 | P | 51.3 | Low | 47.9 | Very low | 122 Ų | 122 | 119 Ų | 119 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | trans | -101.3 | -170 | 165.2 | 39.2 | -29.4 | 0 | 0 | 0 | 111.1 | | |
| 234 | P | 50.5 | Low | 48.1 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -123 | 173.3 | -57.9 | 36.6 | -21.2 | 0 | 0 | 0 | 111.5 | | |
| 235 | V | 48.3 | Very low | 48.9 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | 146.5 | 139 | 144.5 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 236 | S | 52.9 | Low | 49.6 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 88.7 | 121.4 | 173.7 | -36.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 237 | A | 54.9 | Low | 49.8 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | cis | -161.3 | 155.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 238 | P | 50.4 | Low | 49.7 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -77.1 | 133.2 | -176 | 30.8 | -32.4 | 0 | 0 | 0 | 111.8 | S240 | P238-S240 PolarHBondContact O-N 2.95Å; P238-S240 VanDerWaalsContact O-N 3.1Å |
| 239 | A | 50 | Low | 49.6 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | trans | -63.9 | 105.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | W241 | A239-W241 PolarHBondContact O-N 2.86Š|
| 240 | S | 47.6 | Very low | 49.9 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -74.8 | 99.4 | 168.8 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | P238 D242 | P238-S240 PolarHBondContact O-N 2.95Å; P238-S240 VanDerWaalsContact O-N 3.1Å; S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 2.89Å |
| 241 | W | 49.8 | Very low | 50 | Low | 216 Ų | 216 | 128.5 Ų | 128.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -85.6 | 82 | 162.4 | -67 | 73.7 | 0 | 0 | 0 | 107.5 | A239 F243 | A239-W241 PolarHBondContact O-N 2.86Å; W241-F243 HydrophobicContact CE3-CE2 4.02Å; W241-F243 HydrophobicContact CZ3-CE2 4.48Å |
| 242 | D | 43.8 | Very low | 50.1 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | trans | -94.6 | 101.9 | 172.9 | -168.4 | -97.5 | 0 | 0 | 0 | 108.6 | S240 | S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 2.89Å |
| 243 | F | 56.3 | Low | 49.8 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | -103.4 | 109.8 | 166.7 | -84.4 | -78.6 | 0 | 0 | 0 | 107.8 | W241 | W241-F243 HydrophobicContact CE3-CE2 4.02Å; W241-F243 HydrophobicContact CZ3-CE2 4.48Å |
| 244 | G | 43.8 | Very low | 49.4 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -61.5 | 140.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 245 | V | 60 | Low | 49.5 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | | | trans | -119.2 | 121.2 | 160.2 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | Q247 | V245-Q247 PolarHBondContact O-N 2.93Š|
| 246 | P | 56.7 | Low | 49.4 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -77.1 | 126.7 | -178.7 | 29.5 | -30.2 | 0 | 0 | 0 | 110.6 | R248 | P246-R248 PolarHBondContact O-N 2.7Š|
| 247 | Q | 47 | Very low | 49.2 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -61.1 | 123.7 | 174.6 | -163.4 | -143.3 | -84.8 | 0 | 0 | 110.8 | V245 | V245-Q247 PolarHBondContact O-N 2.93Š|
| 248 | R | 50.1 | Low | 48.7 | Very low | 239 Ų | 239 | 123.9 Ų | 123.9 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -111.3 | 130.5 | 161.9 | 131.6 | 177.9 | 161.2 | -125.1 | -4.2 | 109.1 | P246 | P246-R248 PolarHBondContact O-N 2.7Š|
| 249 | M | 52.1 | Low | 48.2 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | -53.5 | 160.1 | -175.4 | -60.8 | -89.4 | -165.9 | 0 | 0 | 115.6 | | |
| 250 | A | 49.8 | Very low | 48.1 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | 102.5 | 110.8 | 146 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 251 | G | 44.6 | Very low | 47.8 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | | 109.3 | 90.6 | 123.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 252 | G | 43.2 | Very low | 47.4 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | | | | 72.4 | 117.5 | 125.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 253 | G | 42.1 | Very low | 47.3 | Very low | 87 Ų | 87 | 113.7 Ų | 113.7 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | | | | 112.9 | 107.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 254 | G | 44.1 | Very low | 46.8 | Very low | 77 Ų | 77 | 110.6 Ų | 110.6 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | trans | 110.1 | 116.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 255 | P | 52.1 | Low | 46.7 | Very low | 140 Ų | 140 | 113.5 Ų | 113.5 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | | | trans | -97.6 | 131.3 | 160.3 | 33.6 | -23 | 0 | 0 | 0 | 110.5 | | |
| 256 | G | 45.3 | Very low | 45.8 | Very low | 83 Ų | 83 | 110.8 Ų | 110.8 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | -135.4 | 127.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 257 | S | 49.5 | Very low | 45 | Very low | 134 Ų | 134 | 110.8 Ų | 110.8 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | | | trans | -73.9 | 159.5 | -167.9 | -179.8 | 0 | 0 | 0 | 0 | 116 | | |
| 258 | G | 43.3 | Very low | 45.1 | Very low | 74 Ų | 74 | 108.2 Ų | 108.2 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | | | trans | 132.5 | 123.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 259 | G | 41.2 | Very low | 45 | Very low | 67 Ų | 67 | 103 Ų | 103 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | | | cis | 149.7 | 134.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 260 | S | 48.5 | Very low | 44.5 | Very low | 136 Ų | 136 | 100.5 Ų | 100.5 | 95% | 0.951 | 83% | 0.834 | S | S | * | * | | | trans | 78.3 | 125.2 | 151.1 | -42.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 261 | G | 41.4 | Very low | 44.4 | Very low | 83 Ų | 83 | 101 Ų | 101 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | trans | 150.2 | 79.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 262 | A | 40.2 | Very low | 44.4 | Very low | 109 Ų | 109 | 101.3 Ų | 101.3 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | | | trans | -76.8 | 156 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 263 | G | 42.2 | Very low | 44.6 | Very low | 70 Ų | 70 | 102 Ų | 102 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | trans | 162 | 90 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 264 | S | 45.6 | Very low | 45.1 | Very low | 109 Ų | 109 | 103 Ų | 103 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | | | | 71.2 | 110.6 | 75.9 | -54.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 265 | S | 41.6 | Very low | 45.6 | Very low | 128 Ų | 128 | 103.6 Ų | 103.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | 51.6 | 126.7 | 139.5 | 60.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 266 | G | 40.1 | Very low | 45.9 | Very low | 80 Ų | 80 | 106 Ų | 106 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | 176.8 | 101.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 267 | S | 41.4 | Very low | 46.5 | Very low | 121 Ų | 121 | 106.5 Ų | 106.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -50.8 | 158.6 | 172.7 | 41.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 268 | S | 47.8 | Very low | 46.6 | Very low | 111 Ų | 111 | 103.7 Ų | 103.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -38.4 | 165.1 | 170.2 | -44.4 | 0 | 0 | 0 | 0 | 116 | | |
| 269 | P | 48.8 | Very low | 47.2 | Very low | 129 Ų | 129 | 107 Ų | 107 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | | -146 | 151.4 | 92 | 35.9 | -18.3 | 0 | 0 | 0 | 116.6 | | |
| 270 | S | 42.5 | Very low | 47.8 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -50.5 | 158.3 | 156 | -154 | 0 | 0 | 0 | 0 | 112.1 | | |
| 271 | S | 46.1 | Very low | 48.7 | Very low | 113 Ų | 113 | 109.8 Ų | 109.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | 72.8 | 72.7 | 156.6 | -43.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 272 | A | 45.2 | Very low | 50.2 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -140.8 | 20.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S274 | A272-S274 PolarHBondContact O-N 3.47Š|
| 273 | A | 47.7 | Very low | 50.7 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -1.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 274 | S | 52.6 | Low | 51.5 | Low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -13.1 | -173.7 | -33.3 | 0 | 0 | 0 | 0 | 114.8 | A272 | A272-S274 PolarHBondContact O-N 3.47Š|
| 275 | A | 54.1 | Low | 52 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -12.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 276 | F | 58.2 | Low | 52.7 | Low | 190 Ų | 190 | 121.2 Ų | 121.2 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -8.1 | -176.1 | -154.6 | -98.2 | 0 | 0 | 0 | 114.2 | | |
| 277 | L | 58.9 | Low | 53 | Low | 94 Ų | 94 | 121.9 Ų | 121.9 | 49% | 0.492 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -103.7 | -5.1 | -175.7 | -64.9 | 173.3 | 0 | 0 | 0 | 113.9 | N279 | L277-N279 PolarHBondContact O-N 3.34Š|
| 278 | G | 51.7 | Low | 53.2 | Low | 74 Ų | 74 | 119.7 Ų | 119.7 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -5.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 279 | N | 55.2 | Low | 52.9 | Low | 143 Ų | 143 | 120.3 Ų | 120.3 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 22 | -170.5 | -154.3 | 86.4 | 0 | 0 | 0 | 114.3 | L277 | L277-N279 PolarHBondContact O-N 3.34Š|
| 280 | Y | 54.7 | Low | 52.7 | Low | 136 Ų | 136 | 119 Ų | 119 | 53% | 0.533 | 73% | 0.729 | S | S | . | * | | | trans | -124.1 | 114.6 | -180 | -81.8 | -69.3 | 0 | 0 | 0 | 111.3 | W282 Y283 | Y280-W282 VanDerWaalsContact CB-CE2 3.44Å; Y280-W282 VanDerWaalsContact CB-NE1 3.31Å; Y280-W282 AromaticContact CD1-CD1 3.81Å; Y280-W282 AromaticContact CD1-CE2 3.73Å; Y280-W282 HydrophobicContact CD1-CZ2 4.04Å; Y280-W282 AromaticContact CD1-NE1 2.97Å; Y280-W282 AromaticContact CD2-CZ2 3.9Å; Y280-W282 HydrophobicContact CD2-CZ2 3.9Å; Y280-W282 AromaticContact CE1-NE1 3.83Å; Y280-W282 AromaticContact CG-CE2 3.56Å; Y280-W282 AromaticContact CG-CZ2 3.62Å; Y280-W282 HydrophobicContact CG-CZ2 3.62Å; Y280-W282 AromaticContact CG-NE1 3.27Å; Y280-W282 VanDerWaalsContact CG-NE1 3.27Å; Y280-W282 PolarHBondContact O-N 3.44Å; Y280-Y283 PolarHBondContact O-N 3.3Å |
| 281 | P | 67.9 | Low | 52.6 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 4.3 | -178.6 | 25.3 | -32.9 | 0 | 0 | 0 | 114.6 | | |
| 282 | W | 71.8 | Confident | 52.8 | Low | 175 Ų | 175 | 122 Ų | 122 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -2.7 | 172.6 | 55.9 | -98.9 | 0 | 0 | 0 | 113.3 | Y280 | Y280-W282 VanDerWaalsContact CB-CE2 3.44Å; Y280-W282 VanDerWaalsContact CB-NE1 3.31Å; Y280-W282 AromaticContact CD1-CD1 3.81Å; Y280-W282 AromaticContact CD1-CE2 3.73Å; Y280-W282 HydrophobicContact CD1-CZ2 4.04Å; Y280-W282 AromaticContact CD1-NE1 2.97Å; Y280-W282 AromaticContact CD2-CZ2 3.9Å; Y280-W282 HydrophobicContact CD2-CZ2 3.9Å; Y280-W282 AromaticContact CE1-NE1 3.83Å; Y280-W282 AromaticContact CG-CE2 3.56Å; Y280-W282 AromaticContact CG-CZ2 3.62Å; Y280-W282 HydrophobicContact CG-CZ2 3.62Å; Y280-W282 AromaticContact CG-NE1 3.27Å; Y280-W282 VanDerWaalsContact CG-NE1 3.27Å; Y280-W282 PolarHBondContact O-N 3.44Å |
| 283 | Y | 50.4 | Low | 52.8 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 45% | 0.451 | 73% | 0.731 | S | S | . | * | | | trans | -109.1 | 90.1 | -176.5 | -149.1 | -107.2 | 0 | 0 | 0 | 111.2 | Y280 Q285 | Y280-Y283 PolarHBondContact O-N 3.3Å; Y283-Q285 PolarHBondContact O-N 3.24Å |
| 284 | H | 59.2 | Low | 52.8 | Low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | | | trans | -87.2 | 102.3 | 166.8 | -77.8 | -93.7 | 0 | 0 | 0 | 108.9 | T286 | H284-T286 PolarHBondContact O-N 3.1Š|
| 285 | Q | 56.3 | Low | 52.1 | Low | 143 Ų | 143 | 126.7 Ų | 126.7 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | | | trans | -79.8 | 101.4 | 170.5 | -170.4 | 168.3 | 58.6 | 0 | 0 | 108.4 | Y283 S287 | Y283-Q285 PolarHBondContact O-N 3.24Å; Q285-S287 VanDerWaalsContact C-N 3.27Å; Q285-S287 PolarHBondContact O-N 3.39Å |
| 286 | T | 55.8 | Low | 52.2 | Low | 135 Ų | 135 | 129 Ų | 129 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | | | trans | -78.6 | 78.4 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 109.1 | H284 | H284-T286 PolarHBondContact O-N 3.1Š|
| 287 | S | 47.5 | Very low | 51.5 | Low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | trans | -100.8 | 82.2 | 167 | 34.3 | 0 | 0 | 0 | 0 | 108.6 | Q285 | Q285-S287 VanDerWaalsContact C-N 3.27Å; Q285-S287 PolarHBondContact O-N 3.39Å |
| 288 | G | 45.3 | Very low | 51.3 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | | | trans | -93.3 | 109.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 289 | S | 41.9 | Very low | 51.3 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | trans | -61.7 | 126.3 | 167.3 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 290 | A | 43.5 | Very low | 51.1 | Low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | trans | -149.5 | 87.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 291 | S | 41.7 | Very low | 51.2 | Low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -64.7 | 132.6 | 163.1 | -34.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 292 | H | 49.7 | Very low | 50.4 | Low | 162 Ų | 162 | 128.7 Ų | 128.7 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | | | trans | 161.9 | 107.3 | 146.2 | 164.4 | -88.9 | 0 | 0 | 0 | 112.2 | | |
| 293 | L | 45.6 | Very low | 49.1 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | 48.5 | 140.4 | 135 | -54.2 | -177.1 | 0 | 0 | 0 | 119.2 | | |
| 294 | Q | 46.3 | Very low | 49.3 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | cis | -173.5 | 145.4 | 6.6 | 168.4 | 177.8 | -22.7 | 0 | 0 | 105.8 | | |
| 295 | A | 39 | Very low | 48.9 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | | | trans | -85.9 | 134.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 296 | T | 55.2 | Low | 49 | Very low | 139 Ų | 139 | 127 Ų | 127 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -148 | 137.5 | 149.6 | 54.3 | 0 | 0 | 0 | 0 | 109 | | |
| 297 | A | 44.4 | Very low | 49.1 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -114.1 | -165.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 298 | P | 55.4 | Low | 49.6 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | | -126.1 | 161.3 | -59.7 | 32.4 | -17.4 | 0 | 0 | 0 | 111.5 | | |
| 299 | L | 49.9 | Very low | 50.4 | Low | 159 Ų | 159 | 133.5 Ų | 133.5 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -174.2 | 117.5 | 152.7 | -116.9 | 127.6 | 0 | 0 | 0 | 114.7 | | |
| 300 | L | 52.1 | Low | 51 | Low | 123 Ų | 123 | 136 Ų | 136 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | | | trans | 50.3 | 123 | 136 | -54.6 | -174.8 | 0 | 0 | 0 | 123.7 | | |
| 301 | H | 56.4 | Low | 52 | Low | 164 Ų | 164 | 139.7 Ų | 139.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | | 89.6 | 154.2 | 126.9 | -68.8 | 156.6 | 0 | 0 | 0 | 122 | | |
| 302 | P | 51.6 | Low | 52.6 | Low | 107 Ų | 107 | 142.5 Ų | 142.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | | -124.4 | -174.7 | -129.3 | 39.6 | -23.9 | 0 | 0 | 0 | 116.9 | | |
| 303 | T | 43.5 | Very low | 53.2 | Low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | 74.2 | 117 | 162.6 | 108.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 304 | Q | 55 | Low | 53.7 | Low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | | -173.7 | 130.7 | 123.3 | -144.6 | 160.4 | 77 | 0 | 0 | 111.7 | | |
| 305 | T | 50.7 | Low | 53.9 | Low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -74.3 | 154.5 | 171.1 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 306 | P | 59.6 | Low | 54.4 | Low | 129 Ų | 129 | 146.4 Ų | 146.4 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -129.1 | 147.3 | 147.3 | 31.2 | -15.2 | 0 | 0 | 0 | 114.9 | | |
| 307 | Q | 56.6 | Low | 54.1 | Low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 160.3 | -178.3 | -74.6 | -98.2 | 0.2 | 0 | 0 | 115.2 | | |
| 308 | P | 58.5 | Low | 54.5 | Low | 99 Ų | 99 | 143.5 Ų | 143.5 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 132.6 | 171.8 | 34.7 | -28.4 | 0 | 0 | 0 | 112.2 | | |
| 309 | H | 62.8 | Low | 54.4 | Low | 173 Ų | 173 | 142.2 Ų | 142.2 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 118.6 | 174.1 | -72.2 | -88.3 | 0 | 0 | 0 | 111.3 | | |
| 310 | H | 52.6 | Low | 54.9 | Low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.7 | 170.2 | -72.3 | -98.1 | 0 | 0 | 0 | 111.1 | | |
| 311 | H | 65.4 | Low | 55.4 | Low | 179 Ų | 179 | 139.3 Ų | 139.3 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -116.1 | 114.2 | 163.2 | -85 | 76.5 | 0 | 0 | 0 | 109.5 | | |
| 312 | H | 54.5 | Low | 55.8 | Low | 178 Ų | 178 | 138 Ų | 138 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -83.2 | 126.9 | 166.8 | -119.9 | 77 | 0 | 0 | 0 | 108 | | |
| 313 | H | 61.2 | Low | 56.1 | Low | 191 Ų | 191 | 138.3 Ų | 138.3 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -144.4 | 156.3 | 160.2 | -112.3 | 52.2 | 0 | 0 | 0 | 111.4 | | |
| 314 | H | 57.1 | Low | 56.7 | Low | 179 Ų | 179 | 137.5 Ų | 137.5 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | -104.6 | 160.4 | -130.7 | -147.3 | -98.8 | 0 | 0 | 0 | 112.9 | | |
| 315 | H | 50.2 | Low | 56.9 | Low | 190 Ų | 190 | 132.5 Ų | 132.5 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | | | trans | -56.9 | 145.5 | 179.4 | -120.5 | -99.1 | 0 | 0 | 0 | 115.4 | | |
| 316 | G | 50.5 | Low | 57.5 | Low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | trans | 160.6 | 112.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 317 | G | 47.9 | Very low | 57.8 | Low | 83 Ų | 83 | 134.3 Ų | 134.3 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | cis | 114.3 | 96.8 | 22.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 318 | G | 52.3 | Low | 58.1 | Low | 88 Ų | 88 | 139.3 Ų | 139.3 | 91% | 0.907 | 84% | 0.844 | S | S | * | * | | | trans | 130.3 | 132.3 | 159 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 319 | G | 53.2 | Low | 58 | Low | 84 Ų | 84 | 141.4 Ų | 141.4 | 87% | 0.866 | 86% | 0.855 | S | S | * | * | | | trans | 123.6 | 96.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 320 | A | 60.9 | Low | 57.8 | Low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 86% | 0.857 | S | S | * | * | | | trans | -66.1 | 165 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 321 | P | 63.4 | Low | 58.1 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 86% | 0.86 | S | S | * | * | | | trans | -92.1 | 146.2 | 179.7 | 35.7 | -30.8 | 0 | 0 | 0 | 112.4 | | |
| 322 | V | 65 | Low | 57.6 | Low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 86% | 0.862 | S | S | * | * | | | trans | -136.9 | 126.4 | 165.7 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 323 | S | 58 | Low | 57.8 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 86% | 0.864 | S | S | * | * | | | trans | 57 | 110.4 | 141.3 | -67.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 324 | A | 55.5 | Low | 57.6 | Low | 107 Ų | 107 | 128.7 Ų | 128.7 | 88% | 0.884 | 86% | 0.863 | S | S | * | * | | | | 48.5 | 123.2 | 113.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 325 | G | 59.8 | Low | 57.7 | Low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 87% | 0.865 | S | S | * | * | | | trans | -162.7 | 94.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 326 | T | 63.5 | Low | 58.2 | Low | 140 Ų | 140 | 120.1 Ų | 120.1 | 86% | 0.859 | 86% | 0.864 | S | S | * | * | | | trans | -84.4 | 129.2 | 162.6 | -75.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 327 | I | 65.3 | Low | 58.9 | Low | 157 Ų | 157 | 123.7 Ų | 123.7 | 81% | 0.805 | 87% | 0.87 | S | S | * | * | | | trans | -145.9 | 122.5 | 159.2 | -64 | -169.2 | 0 | 0 | 0 | 109.7 | | |
| 328 | F | 61.8 | Low | 59.9 | Low | 273 Ų | 273 | 127.4 Ų | 127.4 | 100% | 1.197 | 87% | 0.871 | S | S | * | * | | | trans | 64.2 | 0 | 168.4 | -90.1 | -89.2 | 0 | 0 | 0 | 121 | | |