| 1 | M | 46.6 | Very low | 69.1 | Low | 246 Ų | 246 | 184.8 Ų | 184.8 | 100% | 1.212 | 88% | 0.881 | S | S | * | * | | | | 0 | 106.9 | 0 | -57.6 | -159.1 | -170.9 | 0 | 0 | 108.5 | | |
| 2 | S | 70.1 | Confident | 68.8 | Low | 127 Ų | 127 | 183.2 Ų | 183.2 | 89% | 0.888 | 88% | 0.878 | S | S | * | * | | | trans | -93 | 114.8 | -170.6 | -165.6 | 0 | 0 | 0 | 0 | 110.6 | R4 | S2-R4 PolarHBondContact O-N 3.12Š|
| 3 | R | 70.7 | Confident | 68.8 | Low | 244 Ų | 244 | 183.2 Ų | 183.2 | 92% | 0.921 | 87% | 0.872 | S | S | * | * | | | trans | -77.3 | 104.1 | 176.5 | -73.8 | -177.4 | 180 | -154 | 0.6 | 108.9 | K5 | R3-K5 PolarHBondContact O-N 2.73Š|
| 4 | R | 76.9 | Confident | 68.8 | Low | 242 Ų | 242 | 187.1 Ų | 187.1 | 91% | 0.913 | 87% | 0.874 | S | S | * | * | | | trans | -60.3 | 124.7 | 177.4 | -159.9 | 171.7 | -149.3 | 166.8 | 5.6 | 109.7 | S2 Q6 | S2-R4 PolarHBondContact O-N 3.12Å; R4-Q6 PolarHBondContact O-N 3.33Å; R4-Q6 VanDerWaalsContact O-N 3.1Å |
| 5 | K | 71.8 | Confident | 68.8 | Low | 202 Ų | 202 | 182.4 Ų | 182.4 | 88% | 0.878 | 87% | 0.87 | S | S | * | * | | | trans | -59.7 | 110.7 | 173.2 | -80.3 | -97.3 | 178.6 | 176.3 | 0 | 109.1 | R3 S7 | R3-K5 PolarHBondContact O-N 2.73Å; K5-S7 PolarHBondContact O-N 3.2Å |
| 6 | Q | 71.1 | Confident | 68.5 | Low | 187 Ų | 187 | 182.6 Ų | 182.6 | 87% | 0.874 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.7 | 169.6 | -162.9 | 173.1 | -1.5 | 0 | 0 | 107.7 | R4 | R4-Q6 PolarHBondContact O-N 3.33Å; R4-Q6 VanDerWaalsContact O-N 3.1Å |
| 7 | S | 70.5 | Confident | 67.8 | Low | 109 Ų | 109 | 175.9 Ų | 175.9 | 76% | 0.762 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 139.5 | 176 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | K5 | K5-S7 PolarHBondContact O-N 3.2Š|
| 8 | N | 69.1 | Low | 67.1 | Low | 152 Ų | 152 | 174.6 Ų | 174.6 | 81% | 0.813 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 117.4 | -179.7 | -149.3 | -9.9 | 0 | 0 | 0 | 108.2 | R10 | N8-R10 PolarHBondContact O-N 3.49Š|
| 9 | P | 69.6 | Low | 66.5 | Low | 107 Ų | 107 | 174.9 Ų | 174.9 | 70% | 0.695 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 120.6 | -179.6 | 26.6 | -32.2 | 0 | 0 | 0 | 109.6 | Q11 | P9-Q11 PolarHBondContact O-N 3.33Š|
| 10 | R | 70.5 | Confident | 65.9 | Low | 240 Ų | 240 | 174.3 Ų | 174.3 | 91% | 0.906 | 86% | 0.86 | S | S | * | * | | | trans | -72.2 | 114 | 171.8 | -73.2 | -173.9 | -173.6 | -125.9 | 2.3 | 108.3 | N8 I12 | N8-R10 PolarHBondContact O-N 3.49Å; R10-I12 PolarHBondContact O-N 3.44Å |
| 11 | Q | 73.3 | Confident | 65.2 | Low | 177 Ų | 177 | 169.9 Ų | 169.9 | 83% | 0.827 | 85% | 0.851 | S | S | * | * | | | trans | -63 | 118 | 171.8 | -64.5 | -157.9 | -36.9 | 0 | 0 | 109.4 | P9 K13 | P9-Q11 PolarHBondContact O-N 3.33Å; Q11-K13 PolarHBondContact O-N 3.08Å; Q11-K13 VanDerWaalsContact O-N 3.13Å |
| 12 | I | 65.3 | Low | 65.5 | Low | 165 Ų | 165 | 167.6 Ų | 167.6 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | | | trans | -79.7 | 97 | 172.7 | -29.3 | 173.7 | 0 | 0 | 0 | 106.2 | R10 R14 | R10-I12 PolarHBondContact O-N 3.44Å; I12-R14 PolarHBondContact O-N 3.31Å |
| 13 | K | 68.6 | Low | 64.4 | Low | 183 Ų | 183 | 168.7 Ų | 168.7 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | | | trans | -67.8 | 96 | 171.2 | -70.4 | 172.1 | 63.8 | 176.5 | 0 | 107.7 | Q11 S15 | Q11-K13 PolarHBondContact O-N 3.08Å; Q11-K13 VanDerWaalsContact O-N 3.13Å; K13-S15 PolarHBondContact O-N 2.86Å |
| 14 | R | 69.3 | Low | 63.5 | Low | 239 Ų | 239 | 165.4 Ų | 165.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -69.4 | 103.6 | 163.3 | 51 | -176.5 | -175.1 | 137.6 | 2.7 | 107.5 | I12 L16 | I12-R14 PolarHBondContact O-N 3.31Å; R14-L16 PolarHBondContact O-N 2.81Å |
| 15 | S | 68.4 | Low | 62.1 | Low | 116 Ų | 116 | 160.9 Ų | 160.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -67.6 | 111.9 | 172.1 | -60.5 | 0 | 0 | 0 | 0 | 108.2 | K13 G17 | K13-S15 PolarHBondContact O-N 2.86Å; S15-G17 PolarHBondContact O-N 3.07Å |
| 16 | L | 63.8 | Low | 61 | Low | 185 Ų | 185 | 160 Ų | 160 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | | | trans | -84.1 | 101.2 | 163.8 | -169.4 | 85.8 | 0 | 0 | 0 | 106.4 | R14 | R14-L16 PolarHBondContact O-N 2.81Š|
| 17 | G | 56.4 | Low | 59.9 | Low | 70 Ų | 70 | 159.2 Ų | 159.2 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | -152.6 | 136.8 | 168 | 0 | 0 | 0 | 0 | 0 | 105.5 | S15 | S15-G17 PolarHBondContact O-N 3.07Š|
| 18 | D | 55.7 | Low | 58.5 | Low | 152 Ų | 152 | 160.2 Ų | 160.2 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | cis | -159.7 | 130.1 | 28.1 | 172.1 | 52.5 | 0 | 0 | 0 | 105.2 | | |
| 19 | M | 56.5 | Low | 57.3 | Low | 181 Ų | 181 | 156.4 Ų | 156.4 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | | | trans | -125.6 | 97.6 | 173.2 | 173.9 | 147.5 | 65.4 | 0 | 0 | 105.8 | | |
| 20 | E | 54.4 | Low | 55.8 | Low | 161 Ų | 161 | 155.8 Ų | 155.8 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | 178.8 | 120.5 | 156.7 | -85.8 | -122.8 | 95 | 0 | 0 | 112 | | |
| 21 | A | 51.3 | Low | 54.5 | Low | 83 Ų | 83 | 149.6 Ų | 149.6 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | | | trans | 177.8 | 89.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 22 | R | 51.6 | Low | 53.2 | Low | 197 Ų | 197 | 148.5 Ų | 148.5 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | | 69.8 | 127.7 | 74.8 | 91.2 | -177.6 | 176.9 | -114.7 | -4 | 114.4 | | |
| 23 | E | 48.3 | Very low | 52.1 | Low | 150 Ų | 150 | 148.3 Ų | 148.3 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 70.7 | 107.7 | 159.5 | -72.1 | 155.2 | 84.4 | 0 | 0 | 118.1 | | |
| 24 | E | 50.4 | Low | 50.9 | Low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | | 67.9 | 99.5 | 72.5 | -64.2 | -167.6 | 116.1 | 0 | 0 | 114.6 | | |
| 25 | V | 48.8 | Very low | 49.7 | Very low | 147 Ų | 147 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -145.3 | 125.1 | 144.8 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 26 | Q | 47.5 | Very low | 48.4 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -64.7 | 147 | 176.9 | -63.3 | 148.6 | 60.2 | 0 | 0 | 112.5 | | |
| 27 | L | 49 | Very low | 47.4 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -139.3 | 125.7 | 144.3 | -155.8 | 141 | 0 | 0 | 0 | 111.1 | | |
| 28 | V | 39.9 | Very low | 46.5 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | trans | -69.5 | 140.3 | -173.5 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 29 | G | 43.8 | Very low | 46 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 77.7 | 103.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 30 | A | 39.5 | Very low | 45.6 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -157.6 | 90.4 | 131.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 31 | S | 42.5 | Very low | 45.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | | 77.3 | 98.2 | 107 | 69.5 | 0 | 0 | 0 | 0 | 115 | | |
| 32 | H | 46.4 | Very low | 45.2 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | | 44 | 105.6 | 122 | -177.2 | -85.5 | 0 | 0 | 0 | 117.8 | | |
| 33 | M | 42.3 | Very low | 45.1 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | | | | -138.8 | 109.5 | 125.7 | -71.5 | -142 | 82.2 | 0 | 0 | 109.2 | | |
| 34 | E | 43.5 | Very low | 45.1 | Very low | 153 Ų | 153 | 136 Ų | 136 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -65.6 | 125.9 | 166.4 | -179.8 | -163.2 | 104.5 | 0 | 0 | 109.5 | | |
| 35 | Q | 43.5 | Very low | 45.4 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -133.5 | 87 | 159.1 | -30 | -161.5 | -51.8 | 0 | 0 | 110.2 | | |
| 36 | K | 40.8 | Very low | 45.3 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -11.4 | 148.8 | 154.2 | -174.8 | -177.8 | 173.2 | -132 | 0 | 120.5 | | |
| 37 | A | 43 | Very low | 45.5 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | 87.3 | 127.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 38 | T | 37.7 | Very low | 45.2 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | | | cis | -159.3 | 142.9 | 18.6 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 39 | A | 45.5 | Very low | 45.4 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | trans | -85 | 163.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 40 | P | 48.3 | Very low | 45.6 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | | | | -145.3 | 170.3 | 70.1 | 34.2 | -12 | 0 | 0 | 0 | 116.8 | | |
| 41 | E | 46.4 | Very low | 46 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -52.5 | 152.3 | 178.9 | -176.9 | -176.9 | 110.4 | 0 | 0 | 117.8 | | |
| 42 | A | 50.7 | Low | 46.3 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | -147.6 | 144.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 43 | P | 49.1 | Very low | 47 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -93.9 | 166.6 | -163.8 | 38.2 | -36.5 | 0 | 0 | 0 | 115.5 | | |
| 44 | S | 47.5 | Very low | 48.3 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -60.2 | 164.3 | -174.8 | -47.1 | 0 | 0 | 0 | 0 | 117 | | |
| 45 | P | 57.3 | Low | 49.1 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | | -140.3 | -169.3 | 123.6 | 48 | -34.5 | 0 | 0 | 0 | 111.8 | | |
| 46 | P | 46.7 | Very low | 50.1 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | | -119.2 | 176.9 | -111.5 | 19.8 | 7.1 | 0 | 0 | 0 | 114.2 | | |
| 47 | S | 51.1 | Low | 51.1 | Low | 119 Ų | 119 | 119.9 Ų | 119.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 164.7 | -178.1 | -50.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 48 | A | 43.5 | Very low | 51.7 | Low | 93 Ų | 93 | 120.8 Ų | 120.8 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | 73.1 | 147.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 49 | D | 43.2 | Very low | 52.5 | Low | 138 Ų | 138 | 120.5 Ų | 120.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | cis | -173 | 135.9 | 33.2 | -160.8 | -126.3 | 0 | 0 | 0 | 107.3 | | |
| 50 | V | 48.9 | Very low | 52.2 | Low | 107 Ų | 107 | 122.7 Ų | 122.7 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | | | trans | 54.9 | 131.5 | 132.3 | -178.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 51 | N | 48.3 | Very low | 52.6 | Low | 133 Ų | 133 | 122.4 Ų | 122.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 124.8 | 94.9 | 132 | -133.1 | -80.2 | 0 | 0 | 0 | 117.1 | | |
| 52 | S | 49.5 | Very low | 53 | Low | 91 Ų | 91 | 119.4 Ų | 119.4 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | 66.9 | 125 | 137.4 | -50.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 53 | P | 61.1 | Low | 52.3 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 142.3 | 154.8 | 31.4 | -29 | 0 | 0 | 0 | 110.3 | | |
| 54 | P | 69.1 | Low | 51.8 | Low | 115 Ų | 115 | 117.1 Ų | 117.1 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 154.9 | 172.2 | 28.7 | -32.6 | 0 | 0 | 0 | 111.3 | | |
| 55 | P | 59.7 | Low | 52.4 | Low | 128 Ų | 128 | 117.9 Ų | 117.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 140.2 | -176.6 | 29.6 | -32.8 | 0 | 0 | 0 | 111.9 | | |
| 56 | L | 64.1 | Low | 51.8 | Low | 166 Ų | 166 | 120.3 Ų | 120.3 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 138.1 | 177.2 | -67.7 | 166.2 | 0 | 0 | 0 | 111.3 | | |
| 57 | P | 61.8 | Low | 52.2 | Low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 146.9 | 171.9 | 29.2 | -32.5 | 0 | 0 | 0 | 111.7 | | |
| 58 | P | 56.1 | Low | 52.3 | Low | 109 Ų | 109 | 123.9 Ų | 123.9 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 153.4 | 179.9 | 30.2 | -34.4 | 0 | 0 | 0 | 112.4 | | |
| 59 | P | 54.8 | Low | 52.7 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 123.7 | -175.1 | 32.8 | -31.3 | 0 | 0 | 0 | 110.6 | | |
| 60 | T | 39.2 | Very low | 53 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | | | trans | -139.7 | 93.6 | 165.2 | 37.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 61 | S | 55.5 | Low | 52.8 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | trans | -79.7 | 135.7 | 150.9 | -69 | 0 | 0 | 0 | 0 | 108.2 | | |
| 62 | P | 56.1 | Low | 53.1 | Low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -150.2 | 129.3 | 130.7 | 31.6 | -12.5 | 0 | 0 | 0 | 114.3 | | |
| 63 | G | 35.5 | Very low | 53.2 | Low | 88 Ų | 88 | 130.8 Ų | 130.8 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | 73.8 | 137.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 64 | G | 38.3 | Very low | 53 | Low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | cis | -177.9 | -178.5 | 11.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 65 | P | 61.8 | Low | 52.2 | Low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -100.4 | 142.2 | -146.8 | 36.2 | -31.1 | 0 | 0 | 0 | 113.7 | | |
| 66 | K | 43.5 | Very low | 52.1 | Low | 172 Ų | 172 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -169.3 | 102.8 | 144.6 | -147.3 | 156.8 | 179.7 | -166.5 | 0 | 108.5 | | |
| 67 | E | 54.6 | Low | 51.4 | Low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | | 62.9 | 138.9 | 109.7 | -58.9 | -170.1 | 95.2 | 0 | 0 | 114.3 | | |
| 68 | L | 54.3 | Low | 50.9 | Low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | 70.2 | 71.7 | 170.9 | 72.7 | 129.8 | 0 | 0 | 0 | 118.1 | | |
| 69 | E | 51.7 | Low | 51 | Low | 197 Ų | 197 | 136.5 Ų | 136.5 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -142.7 | 121.6 | 145.7 | -150.3 | 178.6 | 103.9 | 0 | 0 | 109.9 | | |
| 70 | G | 48.4 | Very low | 51.2 | Low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | trans | 54.1 | 96.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | E72 | G70-E72 PolarHBondContact O-N 2.77Š|
| 71 | Q | 45.6 | Very low | 51.9 | Low | 191 Ų | 191 | 136 Ų | 136 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | | | trans | -54.5 | 93.1 | 131 | -70.8 | -92.2 | 105.2 | 0 | 0 | 104.4 | P73 | Q71-P73 WeakPolarHBondContact O-CD 3.22Š|
| 72 | E | 55.2 | Low | 51.6 | Low | 157 Ų | 157 | 135.8 Ų | 135.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -50.8 | 114.7 | 161.3 | -175.8 | -171.2 | 106.5 | 0 | 0 | 102.8 | G70 E74 | G70-E72 PolarHBondContact O-N 2.77Å; E72-E74 PolarHBondContact O-N 2.67Å |
| 73 | P | 51.6 | Low | 51.6 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -58.7 | 107.8 | 169.6 | 23.3 | -27.4 | 0 | 0 | 0 | 103.7 | Q71 | Q71-P73 WeakPolarHBondContact O-CD 3.22Š|
| 74 | E | 56.3 | Low | 53.1 | Low | 157 Ų | 157 | 131.5 Ų | 131.5 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | trans | -38.2 | 121.2 | 164.2 | -176.6 | 179 | 101.8 | 0 | 0 | 104.5 | E72 R76 | E72-E74 PolarHBondContact O-N 2.67Å; E74-R76 PolarHBondContact O-N 2.7Å |
| 75 | P | 53.3 | Low | 54.9 | Low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | | | trans | -60.8 | 95.7 | -179.9 | 22.9 | -30.9 | 0 | 0 | 0 | 104.8 | | |
| 76 | R | 55.8 | Low | 56 | Low | 195 Ų | 195 | 131.9 Ų | 131.9 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | | | trans | -45.5 | 134.5 | 169.5 | -39.6 | -176.4 | -147.2 | 173.8 | 7 | 103.2 | E74 T78 | E74-R76 PolarHBondContact O-N 2.7Å; R76-T78 WeakPolarHBondContact O-CA 3.35Å; R76-T78 PolarHBondContact O-N 3.32Å; R76-T78 PolarHBondContact O-OG1 3.2Å |
| 77 | P | 51.1 | Low | 58 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | | | trans | -51.2 | 103.5 | 173.4 | 20.9 | -29.9 | 0 | 0 | 0 | 105.1 | E79 | P77-E79 VanDerWaalsContact C-N 3.28Å; P77-E79 PolarHBondContact O-N 2.98Å |
| 78 | T | 51.4 | Low | 59.7 | Low | 120 Ų | 120 | 123.5 Ų | 123.5 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | | | trans | -66.6 | 107.7 | -176.7 | -68 | 0 | 0 | 0 | 0 | 100.5 | R76 E80 | R76-T78 WeakPolarHBondContact O-CA 3.35Å; R76-T78 PolarHBondContact O-N 3.32Å; R76-T78 PolarHBondContact O-OG1 3.2Å; T78-E80 VanDerWaalsContact C-N 3.34Å; T78-E80 PolarHBondContact O-N 3.26Å |
| 79 | E | 57.8 | Low | 61.6 | Low | 181 Ų | 181 | 117.4 Ų | 117.4 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | | | trans | -43 | 111.9 | 175.1 | -69.4 | 176.8 | 96.5 | 0 | 0 | 104.6 | P77 E81 | P77-E79 VanDerWaalsContact C-N 3.28Å; P77-E79 PolarHBondContact O-N 2.98Å; E79-E81 VanDerWaalsContact C-N 3.28Å; E79-E81 PolarHBondContact O-N 2.87Å |
| 80 | E | 57.5 | Low | 63.6 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | | | trans | -53.9 | 100.9 | -172.3 | 39.5 | 179.8 | 88.1 | 0 | 0 | 106.5 | T78 R101 | T78-E80 VanDerWaalsContact C-N 3.34Å; T78-E80 PolarHBondContact O-N 3.26Å; E80-R101 IonicContact OE2-CZ 3.72Å; E80-R101 IonicContact OE2-NH1 2.73Å; E80-R101 PolarHBondContact OE2-NH1 2.97Å; E80-R101 IonicContact OE2-NH2 3.77Å |
| 81 | E | 54.8 | Low | 65.9 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | | | trans | -56.4 | 132.2 | -174.5 | -157.9 | -73.8 | 143.1 | 0 | 0 | 105.9 | E79 G83 S84 | E79-E81 VanDerWaalsContact C-N 3.28Å; E79-E81 PolarHBondContact O-N 2.87Å; E81-G83 PolarHBondContact O-N 2.79Å; E81-S84 PolarHBondContact O-N 2.78Å; E81-S84 PolarHBondContact O-OG 2.94Å |
| 82 | P | 48.7 | Very low | 68.2 | Low | 120 Ų | 120 | 106.1 Ų | 106.1 | 78% | 0.779 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 71.9 | -177.9 | 27.3 | -35.7 | 0 | 0 | 0 | 110.9 | | |
| 83 | G | 56.3 | Low | 70.1 | Confident | 59 Ų | 59 | 101 Ų | 101 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.6 | -18.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E81 | E81-G83 PolarHBondContact O-N 2.79Š|
| 84 | S | 66.5 | Low | 72.1 | Confident | 58 Ų | 58 | 100 Ų | 100 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 123.6 | 175.5 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | E81 W86 | E81-S84 PolarHBondContact O-N 2.78Å; E81-S84 PolarHBondContact O-OG 2.94Å; S84-W86 PolarHBondContact O-N 3.41Å |
| 85 | P | 76.7 | Confident | 73.8 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 76% | 0.76 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 127.3 | 175 | 24 | -29.9 | 0 | 0 | 0 | 108.1 | S87 | P85-S87 PolarHBondContact O-N 2.72Š|
| 86 | W | 85.2 | Confident | 75.7 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 35% | 0.352 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 128 | -178.4 | 160.6 | 55.7 | 0 | 0 | 0 | 110.7 | S84 G88 L92 E93 P94 I103 | S84-W86 PolarHBondContact O-N 3.41Å; W86-G88 PolarHBondContact O-N 2.85Å; W86-L92 HydrophobicContact CH2-CB 3.29Å; W86-L92 HydrophobicContact CH2-CD1 4.39Å; W86-L92 HydrophobicContact CH2-CG 4.48Å; W86-L92 HydrophobicContact CZ2-CB 4.1Å; W86-L92 HydrophobicContact CZ2-CD1 4.42Å; W86-L92 VanDerWaalsContact CZ3-C 3.42Å; W86-L92 HydrophobicContact CZ3-CB 4.1Å; W86-L92 VanDerWaalsContact CZ3-O 3.29Å; W86-L92 WeakPolarHBondContact CZ3-O 3.38Å; W86-E93 VanDerWaalsContact CZ3-CA 3.45Å; W86-P94 HydrophobicContact CB-CB 4.37Å; W86-P94 HydrophobicContact CB-CG 4.24Å; W86-P94 HydrophobicContact CD2-CB 4.33Å; W86-P94 HydrophobicContact CD2-CG 4.37Å; W86-P94 HydrophobicContact CE3-CB 3.85Å; W86-P94 HydrophobicContact CE3-CG 3.58Å; W86-P94 HydrophobicContact CZ3-CB 4.32Å; W86-P94 VanDerWaalsContact CZ3-CD 3.43Å; W86-P94 HydrophobicContact CZ3-CG 4.15Å; W86-P94 VanDerWaalsContact CZ3-N 3.35Å; W86-I103 HydrophobicContact CD2-CD1 4.06Å; W86-I103 HydrophobicContact CE3-CD1 4.33Å; W86-I103 HydrophobicContact CH2-CB 4.48Å; W86-I103 HydrophobicContact CH2-CD1 3.74Å; W86-I103 HydrophobicContact CH2-CG1 4.31Å; W86-I103 HydrophobicContact CH2-CG2 3.47Å; W86-I103 VanDerWaalsContact CH2-CG2 3.47Å; W86-I103 HydrophobicContact CZ2-CD1 3.6Å; W86-I103 HydrophobicContact CZ2-CG1 4.03Å; W86-I103 HydrophobicContact CZ2-CG2 3.76Å; W86-I103 HydrophobicContact CZ3-CD1 4.19Å |
| 87 | S | 85.8 | Confident | 77.6 | Confident | 127 Ų | 127 | 88.2 Ų | 88.2 | 89% | 0.888 | 51% | 0.514 | S | S | * | . | | | trans | -79.1 | 36.4 | 180 | -46.4 | 0 | 0 | 0 | 0 | 113.5 | P85 | P85-S87 PolarHBondContact O-N 2.72Š|
| 88 | G | 90.7 | Very high | 79.7 | Confident | 25 Ų | 25 | 89.8 Ų | 89.8 | 26% | 0.258 | 52% | 0.516 | S | S | . | . | | | trans | -82.5 | 164.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W86 | W86-G88 PolarHBondContact O-N 2.85Š|
| 89 | P | 94.3 | Very high | 81.6 | Confident | 38 Ų | 38 | 87.5 Ų | 87.5 | 25% | 0.247 | 52% | 0.517 | C | S | . | . | | | trans | -70.5 | 152.4 | 173.7 | 34.6 | -37.7 | 0 | 0 | 0 | 111.2 | E91 L92 W115 | P89-E91 WeakPolarHBondContact CB-OE2 3.23Å; P89-E91 PolarHBondContact O-N 3.24Å; P89-E91 VanDerWaalsContact O-N 3.12Å; P89-L92 HydrophobicContact CG-CD1 3.93Å; P89-L92 HydrophobicContact CG-CG 4.16Å; P89-L92 PolarHBondContact O-N 3.28Å; P89-W115 HydrophobicContact CB-CG 4.21Å; P89-W115 HydrophobicContact CG-CD2 3.96Å; P89-W115 HydrophobicContact CG-CG 4.03Å; P89-W115 HydrophobicContact CG-CZ2 4.26Å |
| 90 | D | 92.9 | Very high | 83.3 | Confident | 131 Ų | 131 | 84 Ų | 84 | 70% | 0.701 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.3 | -173.4 | -76.8 | -60.6 | 0 | 0 | 0 | 114.3 | L92 R106 | D90-L92 PolarHBondContact O-N 2.65Å; D90-R106 WeakPolarHBondContact O-CD 3.44Å; D90-R106 PolarHBondContact O-NH1 3.13Å; D90-R106 IonicContact OD1-NH1 3.87Å |
| 91 | E | 95.8 | Very high | 84.9 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.1 | 176.9 | -57.7 | 84.5 | 176.3 | 0 | 0 | 112.8 | P89 R106 L107 L109 W115 | P89-E91 WeakPolarHBondContact CB-OE2 3.23Å; P89-E91 PolarHBondContact O-N 3.24Å; P89-E91 VanDerWaalsContact O-N 3.12Å; E91-R106 WeakPolarHBondContact O-CB 3.5Å; E91-R106 PolarHBondContact O-N 3.24Å; E91-L107 HydrophobicContact CB-CD1 4.04Å; E91-L107 HydrophobicContact CB-CD2 4.32Å; E91-L107 HydrophobicContact CB-CG 4.11Å; E91-L107 HydrophobicContact CG-CD1 3.95Å; E91-L107 HydrophobicContact CG-CD2 4.14Å; E91-L107 HydrophobicContact CG-CG 4.28Å; E91-L109 HydrophobicContact CB-CD2 3.75Å; E91-L109 HydrophobicContact CG-CD2 4.49Å; E91-W115 HydrophobicContact CB-CZ2 4.09Å; E91-W115 PolarHBondContact OE2-NE1 3.35Å |
| 92 | L | 95.2 | Very high | 86.7 | Confident | 31 Ų | 31 | 85.2 Ų | 85.2 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.1 | -177.9 | -52 | 178.4 | 0 | 0 | 0 | 110.2 | W86 P89 D90 I103 R104 A105 R106 L109 W115 | W86-L92 HydrophobicContact CH2-CB 3.29Å; W86-L92 HydrophobicContact CH2-CD1 4.39Å; W86-L92 HydrophobicContact CH2-CG 4.48Å; W86-L92 HydrophobicContact CZ2-CB 4.1Å; W86-L92 HydrophobicContact CZ2-CD1 4.42Å; W86-L92 VanDerWaalsContact CZ3-C 3.42Å; W86-L92 HydrophobicContact CZ3-CB 4.1Å; W86-L92 VanDerWaalsContact CZ3-O 3.29Å; W86-L92 WeakPolarHBondContact CZ3-O 3.38Å; P89-L92 HydrophobicContact CG-CD1 3.93Å; P89-L92 HydrophobicContact CG-CG 4.16Å; P89-L92 PolarHBondContact O-N 3.28Å; D90-L92 PolarHBondContact O-N 2.65Å; L92-I103 HydrophobicContact CB-CG2 3.93Å; L92-I103 HydrophobicContact CD1-CG2 4.21Å; L92-R104 CarbonylContact C-O 3.52Å; L92-R104 WeakPolarHBondContact CA-O 3.48Å; L92-A105 HydrophobicContact CD2-CB 4.12Å; L92-R106 WeakPolarHBondContact O-CD 3.41Å; L92-L109 HydrophobicContact CD2-CD1 4.06Å; L92-L109 HydrophobicContact CD2-CD2 4.28Å; L92-W115 HydrophobicContact CD1-CH2 3.88Å; L92-W115 HydrophobicContact CD1-CZ2 4.25Å; L92-W115 HydrophobicContact CD1-CZ3 4.2Å; L92-W115 HydrophobicContact CD2-CH2 3.94Å; L92-W115 HydrophobicContact CD2-CZ2 4.29Å; L92-W115 HydrophobicContact CG-CH2 4Å; L92-W115 HydrophobicContact CG-CZ2 4.07Å |
| 93 | E | 94.6 | Very high | 88.9 | Confident | 48 Ų | 48 | 84 Ų | 84 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.8 | 177.4 | 54.2 | -175.5 | 167.3 | 0 | 0 | 111.4 | W86 V95 I103 R104 R106 | W86-E93 VanDerWaalsContact CZ3-CA 3.45Å; E93-V95 HydrophobicContact CG-CG1 3.93Å; E93-I103 WeakPolarHBondContact O-CA 3.41Å; E93-R104 HydrophobicContact CG-CB 4Å; E93-R104 WeakPolarHBondContact CG-O 3.36Å; E93-R104 PolarHBondContact N-O 3.33Å; E93-R104 PolarHBondContact O-N 2.6Å; E93-R104 IonicContact OE1-CZ 3.09Å; E93-R104 IonicContact OE1-NE 2.7Å; E93-R104 PolarHBondContact OE1-NE 2.85Å; E93-R104 IonicContact OE1-NH2 2.67Å; E93-R104 PolarHBondContact OE1-NH2 2.76Å; E93-R104 IonicContact OE2-NH2 3.69Å; E93-R106 HydrophobicContact CB-CG 3.46Å; E93-R106 VanDerWaalsContact CB-CG 3.46Å; E93-R106 HydrophobicContact CG-CG 3.52Å |
| 94 | P | 92.7 | Very high | 90.7 | Very high | 78 Ų | 78 | 87.2 Ų | 87.2 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.4 | 170 | 33.4 | -24.1 | 0 | 0 | 0 | 108.5 | W86 R102 I103 | W86-P94 HydrophobicContact CB-CB 4.37Å; W86-P94 HydrophobicContact CB-CG 4.24Å; W86-P94 HydrophobicContact CD2-CB 4.33Å; W86-P94 HydrophobicContact CD2-CG 4.37Å; W86-P94 HydrophobicContact CE3-CB 3.85Å; W86-P94 HydrophobicContact CE3-CG 3.58Å; W86-P94 HydrophobicContact CZ3-CB 4.32Å; W86-P94 VanDerWaalsContact CZ3-CD 3.43Å; W86-P94 HydrophobicContact CZ3-CG 4.15Å; W86-P94 VanDerWaalsContact CZ3-N 3.35Å; P94-R102 CarbonylContact C-O 3.59Å; P94-R102 WeakPolarHBondContact CA-O 3.17Å; P94-I103 HydrophobicContact CB-CD1 4.01Å |
| 95 | V | 92.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 86.5 Ų | 86.5 | 13% | 0.127 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.3 | 179.6 | -57 | 0 | 0 | 0 | 0 | 110.1 | E93 Q97 R102 R104 | E93-V95 HydrophobicContact CG-CG1 3.93Å; V95-Q97 HydrophobicContact CG2-CG 4.19Å; V95-R102 HydrophobicContact CG2-CB 3.88Å; V95-R102 PolarHBondContact N-O 2.78Å; V95-R102 PolarHBondContact O-N 2.87Å; V95-R102 VanDerWaalsContact O-O 3.13Å; V95-R104 HydrophobicContact CG1-CB 4.13Å; V95-R104 HydrophobicContact CG2-CB 4.25Å |
| 96 | V | 93.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 87.8 Ų | 87.8 | 64% | 0.642 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.1 | 170 | -177.6 | 0 | 0 | 0 | 0 | 108 | Q100 R101 | V96-Q100 WeakPolarHBondContact CA-O 3.36Å; V96-R101 HydrophobicContact CG2-CG 4.33Å |
| 97 | Q | 95.1 | Very high | 93.5 | Very high | 79 Ų | 79 | 87.8 Ų | 87.8 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.8 | 176.8 | -66.8 | -178.6 | 2 | 0 | 0 | 108.5 | V95 G99 Q100 | V95-Q97 HydrophobicContact CG2-CG 4.19Å; Q97-G99 PolarHBondContact O-N 2.73Å; Q97-Q100 PolarHBondContact N-O 3.21Å; Q97-Q100 WeakPolarHBondContact O-CA 3.49Å; Q97-Q100 WeakPolarHBondContact O-CB 3.29Å; Q97-Q100 PolarHBondContact O-N 2.82Å |
| 98 | D | 94.9 | Very high | 94.1 | Very high | 151 Ų | 151 | 87.4 Ų | 87.4 | 81% | 0.807 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 34 | -178.1 | -51.1 | -57 | 0 | 0 | 0 | 113.7 | Q100 | D98-Q100 PolarHBondContact O-N 2.62Š|
| 99 | G | 91.8 | Very high | 94.3 | Very high | 73 Ų | 73 | 89.8 Ų | 89.8 | 75% | 0.753 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 2.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q97 | Q97-G99 PolarHBondContact O-N 2.73Š|
| 100 | Q | 93.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 91.3 Ų | 91.3 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.6 | 177 | -58.7 | -176.7 | -60.1 | 0 | 0 | 111.4 | V96 Q97 D98 | V96-Q100 WeakPolarHBondContact CA-O 3.36Å; Q97-Q100 PolarHBondContact N-O 3.21Å; Q97-Q100 WeakPolarHBondContact O-CA 3.49Å; Q97-Q100 WeakPolarHBondContact O-CB 3.29Å; Q97-Q100 PolarHBondContact O-N 2.82Å; D98-Q100 PolarHBondContact O-N 2.62Å |
| 101 | R | 90.6 | Very high | 94.7 | Very high | 162 Ų | 162 | 92.3 Ų | 92.3 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.6 | 169.8 | -65.5 | 169.5 | 77.7 | -145.8 | 8.4 | 109.1 | E80 V96 | E80-R101 IonicContact OE2-CZ 3.72Å; E80-R101 IonicContact OE2-NH1 2.73Å; E80-R101 PolarHBondContact OE2-NH1 2.97Å; E80-R101 IonicContact OE2-NH2 3.77Å; V96-R101 HydrophobicContact CG2-CG 4.33Å |
| 102 | R | 93.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 93.2 Ų | 93.2 | 42% | 0.423 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 162.6 | 180 | -60.1 | -178.4 | -179.8 | -143 | -3 | 109.3 | P94 V95 | P94-R102 CarbonylContact C-O 3.59Å; P94-R102 WeakPolarHBondContact CA-O 3.17Å; V95-R102 HydrophobicContact CG2-CB 3.88Å; V95-R102 PolarHBondContact N-O 2.78Å; V95-R102 PolarHBondContact O-N 2.87Å; V95-R102 VanDerWaalsContact O-O 3.13Å |
| 103 | I | 93.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 95.4 Ų | 95.4 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.1 | 171.7 | -57.1 | -53.8 | 0 | 0 | 0 | 108.6 | W86 L92 E93 P94 | W86-I103 HydrophobicContact CD2-CD1 4.06Å; W86-I103 HydrophobicContact CE3-CD1 4.33Å; W86-I103 HydrophobicContact CH2-CB 4.48Å; W86-I103 HydrophobicContact CH2-CD1 3.74Å; W86-I103 HydrophobicContact CH2-CG1 4.31Å; W86-I103 HydrophobicContact CH2-CG2 3.47Å; W86-I103 VanDerWaalsContact CH2-CG2 3.47Å; W86-I103 HydrophobicContact CZ2-CD1 3.6Å; W86-I103 HydrophobicContact CZ2-CG1 4.03Å; W86-I103 HydrophobicContact CZ2-CG2 3.76Å; W86-I103 HydrophobicContact CZ3-CD1 4.19Å; L92-I103 HydrophobicContact CB-CG2 3.93Å; L92-I103 HydrophobicContact CD1-CG2 4.21Å; E93-I103 WeakPolarHBondContact O-CA 3.41Å; P94-I103 HydrophobicContact CB-CD1 4.01Å |
| 104 | R | 95.8 | Very high | 94.8 | Very high | 127 Ų | 127 | 98 Ų | 98 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.6 | 174.8 | -175.2 | 173.4 | 69.4 | -171.9 | -1 | 109.6 | L92 E93 V95 | L92-R104 CarbonylContact C-O 3.52Å; L92-R104 WeakPolarHBondContact CA-O 3.48Å; E93-R104 HydrophobicContact CG-CB 4Å; E93-R104 WeakPolarHBondContact CG-O 3.36Å; E93-R104 PolarHBondContact N-O 3.33Å; E93-R104 PolarHBondContact O-N 2.6Å; E93-R104 IonicContact OE1-CZ 3.09Å; E93-R104 IonicContact OE1-NE 2.7Å; E93-R104 PolarHBondContact OE1-NE 2.85Å; E93-R104 IonicContact OE1-NH2 2.67Å; E93-R104 PolarHBondContact OE1-NH2 2.76Å; E93-R104 IonicContact OE2-NH2 3.69Å; V95-R104 HydrophobicContact CG1-CB 4.13Å; V95-R104 HydrophobicContact CG2-CB 4.25Å |
| 105 | A | 96.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 98.6 Ų | 98.6 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | L92 L107 L109 | L92-A105 HydrophobicContact CD2-CB 4.12Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 WeakPolarHBondContact CB-O 3.49Å; A105-L109 HydrophobicContact CB-CD1 4.25Å; A105-L109 HydrophobicContact CB-CG 4.19Å |
| 106 | R | 95.8 | Very high | 95 | Very high | 144 Ų | 144 | 100.1 Ų | 100.1 | 54% | 0.543 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -73.4 | -28.5 | 175.3 | -69.5 | 173.1 | 64.9 | -162.6 | 8 | 111.9 | D90 E91 L92 E93 | D90-R106 WeakPolarHBondContact O-CD 3.44Å; D90-R106 PolarHBondContact O-NH1 3.13Å; D90-R106 IonicContact OD1-NH1 3.87Å; E91-R106 WeakPolarHBondContact O-CB 3.5Å; E91-R106 PolarHBondContact O-N 3.24Å; L92-R106 WeakPolarHBondContact O-CD 3.41Å; E93-R106 HydrophobicContact CB-CG 3.46Å; E93-R106 VanDerWaalsContact CB-CG 3.46Å; E93-R106 HydrophobicContact CG-CG 3.52Å |
| 107 | L | 94.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -140.1 | 168.4 | -176.9 | 56.9 | 88.5 | 0 | 0 | 0 | 110.5 | E91 A105 L109 | E91-L107 HydrophobicContact CB-CD1 4.04Å; E91-L107 HydrophobicContact CB-CD2 4.32Å; E91-L107 HydrophobicContact CB-CG 4.11Å; E91-L107 HydrophobicContact CG-CD1 3.95Å; E91-L107 HydrophobicContact CG-CD2 4.14Å; E91-L107 HydrophobicContact CG-CG 4.28Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 WeakPolarHBondContact CB-O 3.49Å; L107-L109 HydrophobicContact CD1-CD2 4.29Å; L107-L109 PolarHBondContact O-N 3.24Å |
| 108 | S | 96.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 105 Ų | 105 | 83% | 0.832 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120.8 | 176.5 | -66 | 0 | 0 | 0 | 0 | 110.3 | | |
| 109 | L | 96.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 107.4 Ų | 107.4 | 39% | 0.393 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 122.6 | 178.8 | -55.5 | 175.5 | 0 | 0 | 0 | 109.8 | E91 L92 A105 L107 L113 W115 | E91-L109 HydrophobicContact CB-CD2 3.75Å; E91-L109 HydrophobicContact CG-CD2 4.49Å; L92-L109 HydrophobicContact CD2-CD1 4.06Å; L92-L109 HydrophobicContact CD2-CD2 4.28Å; A105-L109 HydrophobicContact CB-CD1 4.25Å; A105-L109 HydrophobicContact CB-CG 4.19Å; L107-L109 HydrophobicContact CD1-CD2 4.29Å; L107-L109 PolarHBondContact O-N 3.24Å; L109-L113 HydrophobicContact CB-CD2 4.33Å; L109-L113 HydrophobicContact CD2-CD2 3.83Å; L109-W115 HydrophobicContact CD1-CH2 3.79Å; L109-W115 HydrophobicContact CD2-CH2 3.94Å; L109-W115 HydrophobicContact CD2-CZ2 3.84Å; L109-W115 HydrophobicContact CG-CH2 4.48Å |
| 110 | A | 96.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 107.6 Ų | 107.6 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G112 L113 | A110-G112 PolarHBondContact O-N 3.1Å; A110-L113 VanDerWaalsContact O-CB 3.23Å; A110-L113 WeakPolarHBondContact O-CB 3.49Å; A110-L113 PolarHBondContact O-N 3.49Å; A110-L113 VanDerWaalsContact O-N 3.08Å |
| 111 | T | 97.8 | Very high | 94.6 | Very high | 153 Ų | 153 | 107.4 Ų | 107.4 | 94% | 0.939 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 130.1 | 170.2 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | L113 | T111-L113 VanDerWaalsContact C-N 3.32Š|
| 112 | G | 96.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 106.3 Ų | 106.3 | 75% | 0.753 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.5 | 0 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A110 S114 | A110-G112 PolarHBondContact O-N 3.1Å; G112-S114 PolarHBondContact O-N 3.3Å |
| 113 | L | 96.2 | Very high | 94.6 | Very high | 76 Ų | 76 | 109.6 Ų | 109.6 | 40% | 0.398 | 64% | 0.644 | S | S | . | * | | | trans | -60.3 | 133.3 | 166.2 | -178.2 | 68.9 | 0 | 0 | 0 | 109.4 | L109 A110 T111 W115 | L109-L113 HydrophobicContact CB-CD2 4.33Å; L109-L113 HydrophobicContact CD2-CD2 3.83Å; A110-L113 VanDerWaalsContact O-CB 3.23Å; A110-L113 WeakPolarHBondContact O-CB 3.49Å; A110-L113 PolarHBondContact O-N 3.49Å; A110-L113 VanDerWaalsContact O-N 3.08Å; T111-L113 VanDerWaalsContact C-N 3.32Å; L113-W115 HydrophobicContact CD2-CH2 4.42Å; L113-W115 HydrophobicContact CD2-CZ2 3.77Å |
| 114 | S | 95.7 | Very high | 94.5 | Very high | 102 Ų | 102 | 111.1 Ų | 111.1 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | | | trans | -135.6 | 138.2 | -178.8 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | G112 | G112-S114 PolarHBondContact O-N 3.3Š|
| 115 | W | 95.2 | Very high | 94.2 | Very high | 91 Ų | 91 | 113 Ų | 113 | 35% | 0.345 | 67% | 0.665 | S | S | . | * | | | trans | -109.5 | 145.3 | 168.8 | -54 | -75.9 | 0 | 0 | 0 | 109.7 | P89 E91 L92 L109 L113 F118 | P89-W115 HydrophobicContact CB-CG 4.21Å; P89-W115 HydrophobicContact CG-CD2 3.96Å; P89-W115 HydrophobicContact CG-CG 4.03Å; P89-W115 HydrophobicContact CG-CZ2 4.26Å; E91-W115 HydrophobicContact CB-CZ2 4.09Å; E91-W115 PolarHBondContact OE2-NE1 3.35Å; L92-W115 HydrophobicContact CD1-CH2 3.88Å; L92-W115 HydrophobicContact CD1-CZ2 4.25Å; L92-W115 HydrophobicContact CD1-CZ3 4.2Å; L92-W115 HydrophobicContact CD2-CH2 3.94Å; L92-W115 HydrophobicContact CD2-CZ2 4.29Å; L92-W115 HydrophobicContact CG-CH2 4Å; L92-W115 HydrophobicContact CG-CZ2 4.07Å; L109-W115 HydrophobicContact CD1-CH2 3.79Å; L109-W115 HydrophobicContact CD2-CH2 3.94Å; L109-W115 HydrophobicContact CD2-CZ2 3.84Å; L109-W115 HydrophobicContact CG-CH2 4.48Å; L113-W115 HydrophobicContact CD2-CH2 4.42Å; L113-W115 HydrophobicContact CD2-CZ2 3.77Å; W115-F118 HydrophobicContact CB-CE2 3.93Å; W115-F118 HydrophobicContact CB-CZ 3.5Å; W115-F118 VanDerWaalsContact CB-CZ 3.5Å; W115-F118 WeakPolarHBondContact O-CE2 3.15Å |
| 116 | G | 93.5 | Very high | 93.4 | Very high | 53 Ų | 53 | 116.1 Ų | 116.1 | 55% | 0.546 | 69% | 0.69 | S | S | . | * | | | trans | 121.7 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 117 | P | 92.9 | Very high | 92.3 | Very high | 134 Ų | 134 | 112.9 Ų | 112.9 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | | | cis | -73.6 | 148.5 | 18.4 | 29.8 | -36.5 | 0 | 0 | 0 | 114.5 | | |
| 118 | F | 90.6 | Very high | 91.2 | Very high | 155 Ų | 155 | 113 Ų | 113 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | | | trans | -105 | 139.8 | 174.2 | -60.7 | -76 | 0 | 0 | 0 | 110.6 | W115 | W115-F118 HydrophobicContact CB-CE2 3.93Å; W115-F118 HydrophobicContact CB-CZ 3.5Å; W115-F118 VanDerWaalsContact CB-CZ 3.5Å; W115-F118 WeakPolarHBondContact O-CE2 3.15Å |
| 119 | H | 91.6 | Very high | 89.8 | Confident | 200 Ų | 200 | 112.8 Ų | 112.8 | 93% | 0.926 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -70.9 | 142.6 | 171.6 | -66.9 | -78.4 | 0 | 0 | 0 | 110.6 | | |
| 120 | G | 92.1 | Very high | 88.2 | Confident | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 138.9 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 121 | S | 93 | Very high | 86.4 | Confident | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | trans | -125.6 | 138 | 173.4 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 122 | V | 91.6 | Very high | 84.3 | Confident | 138 Ų | 138 | 120.3 Ų | 120.3 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -103 | 116.7 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 123 | Q | 92.6 | Very high | 82.3 | Confident | 181 Ų | 181 | 123.3 Ų | 123.3 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 117.1 | 175.7 | -63.5 | -176.3 | 47.1 | 0 | 0 | 109.6 | | |
| 124 | T | 92.3 | Very high | 80.2 | Confident | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 127.3 | 174.1 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | A126 | T124-A126 PolarHBondContact O-N 3.23Š|
| 125 | R | 89.8 | Confident | 78.1 | Confident | 168 Ų | 168 | 131.8 Ų | 131.8 | 63% | 0.634 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.1 | 171.4 | -172.1 | 170.9 | -178.1 | -99.6 | 8.9 | 109.4 | S127 S128 P129 | R125-S127 PolarHBondContact NH1-O 2.78Å; R125-S127 PolarHBondContact O-N 3.4Å; R125-S128 PolarHBondContact NH1-O 2.72Å; R125-P129 VanDerWaalsContact NH1-CA 3.27Å |
| 126 | A | 80.1 | Confident | 76.1 | Confident | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | trans | -74.2 | -10.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T124 | T124-A126 PolarHBondContact O-N 3.23Š|
| 127 | S | 73.1 | Confident | 74.3 | Confident | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -105.2 | 146.2 | -177.7 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | R125 | R125-S127 PolarHBondContact NH1-O 2.78Å; R125-S127 PolarHBondContact O-N 3.4Å |
| 128 | S | 70.1 | Confident | 72.6 | Confident | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | | | trans | -53.9 | 135.7 | 171.2 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | R125 R130 | R125-S128 PolarHBondContact NH1-O 2.72Å; S128-R130 PolarHBondContact O-N 3.05Å |
| 129 | P | 67.7 | Low | 71.1 | Confident | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | trans | -65 | 14.7 | 178.1 | 28.6 | -35.4 | 0 | 0 | 0 | 114.1 | R125 Q131 | R125-P129 VanDerWaalsContact NH1-CA 3.27Å; P129-Q131 PolarHBondContact O-N 2.76Å |
| 130 | R | 62.9 | Low | 69.5 | Low | 210 Ų | 210 | 126.2 Ų | 126.2 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 112.5 | -178.2 | -161.1 | 176.4 | 179.8 | 176.5 | -1.5 | 108.7 | S128 | S128-R130 PolarHBondContact O-N 3.05Š|
| 131 | Q | 59.7 | Low | 67.8 | Low | 152 Ų | 152 | 130.4 Ų | 130.4 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71 | 66 | 177.1 | -40.8 | -54.3 | -16.2 | 0 | 0 | 115.8 | P129 E133 | P129-Q131 PolarHBondContact O-N 2.76Å; Q131-E133 PolarHBondContact O-N 3.42Å |
| 132 | A | 53.5 | Low | 66.2 | Low | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -79.5 | 88.9 | 130.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 133 | E | 54.4 | Low | 64.5 | Low | 135 Ų | 135 | 128.8 Ų | 128.8 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | | | trans | -49.7 | 127.4 | 163.2 | -175.2 | -149.5 | 133.4 | 0 | 0 | 106.2 | Q131 R135 | Q131-E133 PolarHBondContact O-N 3.42Å; E133-R135 VanDerWaalsContact C-N 3.31Å; E133-R135 PolarHBondContact O-N 2.69Å |
| 134 | P | 51.2 | Low | 62.7 | Low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | | | trans | -58.3 | 105.8 | 167.2 | 24.7 | -30.3 | 0 | 0 | 0 | 105.8 | G136 | P134-G136 PolarHBondContact O-N 2.81Š|
| 135 | R | 52.3 | Low | 61.3 | Low | 245 Ų | 245 | 125.6 Ų | 125.6 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | | | trans | -66.3 | 64.7 | 167.6 | -88.9 | -178 | 164.7 | -106.9 | 1.4 | 108.4 | E133 | E133-R135 VanDerWaalsContact C-N 3.31Å; E133-R135 PolarHBondContact O-N 2.69Å |
| 136 | G | 52.8 | Low | 59.7 | Low | 51 Ų | 51 | 125.2 Ų | 125.2 | 53% | 0.526 | 75% | 0.752 | S | S | . | * | | | trans | -113.4 | 95.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | P134 I138 | P134-G136 PolarHBondContact O-N 2.81Å; G136-I138 PolarHBondContact O-N 2.91Å |
| 137 | A | 56.7 | Low | 59 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | trans | -57.1 | 101.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | S139 | A137-S139 PolarHBondContact O-N 3.03Š|
| 138 | I | 57.3 | Low | 58.4 | Low | 164 Ų | 164 | 129.9 Ų | 129.9 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | | | trans | -79.9 | 92.3 | 159 | 48 | 167.5 | 0 | 0 | 0 | 107.2 | G136 A140 | G136-I138 PolarHBondContact O-N 2.91Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 2.91Å |
| 139 | S | 57.4 | Low | 58 | Low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -61.3 | 96.7 | 164 | -85.4 | 0 | 0 | 0 | 0 | 108.3 | A137 L141 | A137-S139 PolarHBondContact O-N 3.03Å; S139-L141 PolarHBondContact O-N 3.23Å |
| 140 | A | 58.7 | Low | 57.4 | Low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | -68.6 | 99 | 167 | 0 | 0 | 0 | 0 | 0 | 108 | I138 A142 | I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 2.91Å; A140-A142 PolarHBondContact O-N 3.11Å; A140-A142 VanDerWaalsContact O-N 3.11Å |
| 141 | L | 56.5 | Low | 57.1 | Low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -59.3 | 110.4 | 164.6 | -116.9 | 88 | 0 | 0 | 0 | 107.6 | S139 | S139-L141 PolarHBondContact O-N 3.23Š|
| 142 | A | 58.6 | Low | 56.9 | Low | 88 Ų | 88 | 141.8 Ų | 141.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -72.6 | 133.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | A140 S144 | A140-A142 PolarHBondContact O-N 3.11Å; A140-A142 VanDerWaalsContact O-N 3.11Å; A142-S144 PolarHBondContact O-N 3.35Å |
| 143 | P | 56.7 | Low | 57.1 | Low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -69.8 | 123.6 | 170.2 | 27.3 | -30.8 | 0 | 0 | 0 | 109.5 | V145 | P143-V145 PolarHBondContact O-N 3.25Š|
| 144 | S | 54.5 | Low | 57.3 | Low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -66.2 | 113.4 | 172.1 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | A142 Q146 | A142-S144 PolarHBondContact O-N 3.35Å; S144-Q146 PolarHBondContact O-N 3.25Å |
| 145 | V | 62.8 | Low | 57.6 | Low | 123 Ų | 123 | 146.8 Ų | 146.8 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | | | trans | -79.9 | 100.5 | 171.4 | 169.2 | 0 | 0 | 0 | 0 | 108.2 | P143 T147 | P143-V145 PolarHBondContact O-N 3.25Å; V145-T147 HydrophobicContact CG1-CG2 4.03Å; V145-T147 PolarHBondContact O-N 3.34Å |
| 146 | Q | 57.8 | Low | 58 | Low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | -77.6 | 100.3 | 169.3 | -171.2 | 86.7 | 82.3 | 0 | 0 | 109.1 | S144 H148 | S144-Q146 PolarHBondContact O-N 3.25Å; Q146-H148 PolarHBondContact O-N 3.3Å |
| 147 | T | 63.9 | Low | 58.3 | Low | 115 Ų | 115 | 146.7 Ų | 146.7 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | | | trans | -78.7 | 109.1 | 170 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | V145 | V145-T147 HydrophobicContact CG1-CG2 4.03Å; V145-T147 PolarHBondContact O-N 3.34Å |
| 148 | H | 60.7 | Low | 58.4 | Low | 168 Ų | 168 | 150.1 Ų | 150.1 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | | | trans | -74.1 | 120.6 | 164.6 | 23.7 | -90.2 | 0 | 0 | 0 | 108.8 | Q146 | Q146-H148 PolarHBondContact O-N 3.3Š|
| 149 | R | 61.6 | Low | 58.5 | Low | 245 Ų | 245 | 149.1 Ų | 149.1 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -104 | 108.4 | 173.9 | -164.6 | 179 | -177.6 | -136.4 | 1.9 | 108.6 | | |
| 150 | T | 54.8 | Low | 58.6 | Low | 132 Ų | 132 | 152.6 Ų | 152.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -74 | 133.7 | 173.6 | -47.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 151 | R | 56.5 | Low | 58.6 | Low | 302 Ų | 302 | 157.6 Ų | 157.6 | 100% | 1.14 | 82% | 0.821 | S | S | * | * | | | trans | -147.8 | 0 | 143.6 | -167.8 | 177.4 | -174.3 | -85.4 | 1.1 | 109.7 | | |