| 1 | M | 38.8 | Very low | 49.9 | Very low | 245 Ų | 245 | 178.1 Ų | 178.1 | 100% | 1.207 | 87% | 0.874 | S | S | * | * | | | | 0 | 120.2 | 0 | -75.1 | 167.7 | 171.5 | 0 | 0 | 105.6 | | |
| 2 | E | 46.1 | Very low | 49 | Very low | 192 Ų | 192 | 168.8 Ų | 168.8 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | | | cis | -161.1 | 153.1 | 18.9 | -176.1 | 172.4 | 131.1 | 0 | 0 | 107.7 | | |
| 3 | E | 48.1 | Very low | 48.7 | Very low | 172 Ų | 172 | 167 Ų | 167 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | | | trans | -77.2 | 157.7 | -172.8 | -53.8 | -164.6 | 133.8 | 0 | 0 | 113.7 | | |
| 4 | R | 47.1 | Very low | 48.8 | Very low | 250 Ų | 250 | 164.9 Ų | 164.9 | 94% | 0.943 | 85% | 0.851 | S | S | * | * | | | trans | -137.7 | 94.6 | 149.7 | -74.7 | -166.3 | -75.9 | -149.5 | -2.4 | 109.7 | | |
| 5 | G | 48.9 | Very low | 48.7 | Very low | 73 Ų | 73 | 159.5 Ų | 159.5 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | | | trans | -83.6 | 127.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 6 | T | 53.9 | Low | 49.1 | Very low | 122 Ų | 122 | 154.3 Ų | 154.3 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | | | trans | -76.7 | 132.7 | 172.4 | -35.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 7 | K | 55.5 | Low | 49.3 | Very low | 205 Ų | 205 | 153.5 Ų | 153.5 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | | | trans | -140.5 | 102.2 | 164.5 | -70.3 | -173.3 | -177.5 | 164.6 | 0 | 111.1 | | |
| 8 | D | 54 | Low | 49.6 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 83% | 0.834 | S | S | * | * | | | trans | -67.5 | 148.5 | 158.7 | -59.6 | -58.6 | 0 | 0 | 0 | 110.9 | | |
| 9 | K | 46.4 | Very low | 50.3 | Low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | | 152.6 | 111.9 | 128.2 | -85.2 | -169.7 | 176.8 | -168.6 | 0 | 112.9 | | |
| 10 | Y | 45.4 | Very low | 50.8 | Low | 222 Ų | 222 | 151.4 Ų | 151.4 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | | | trans | -76.4 | 178.5 | 150.1 | -65.5 | -88.9 | 0 | 0 | 0 | 109.4 | | |
| 11 | P | 64.6 | Low | 51.1 | Low | 133 Ų | 133 | 149.7 Ų | 149.7 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | cis | -134.1 | -178.2 | -6.5 | 33.4 | -11.4 | 0 | 0 | 0 | 113.9 | | |
| 12 | G | 39.7 | Very low | 51.7 | Low | 66 Ų | 66 | 145.5 Ų | 145.5 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | 150 | 137.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 13 | D | 44.7 | Very low | 52.3 | Low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | cis | -170.7 | 148.5 | 4.5 | -116.4 | -17.6 | 0 | 0 | 0 | 107.1 | | |
| 14 | V | 50.1 | Low | 52.8 | Low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | 59.3 | 148.8 | 150.5 | -49.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 15 | A | 46.6 | Very low | 53.2 | Low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | cis | -154.3 | 149.2 | 11.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 16 | G | 55.6 | Low | 53.4 | Low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -66.8 | 153 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 17 | V | 53.2 | Low | 53.5 | Low | 141 Ų | 141 | 142.9 Ų | 142.9 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -139.8 | 90.9 | 160.5 | -138.1 | 0 | 0 | 0 | 0 | 105.8 | | |
| 18 | S | 54.7 | Low | 53.7 | Low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | | 82.3 | 95.4 | 108.6 | -160.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 19 | L | 62 | Low | 53.4 | Low | 122 Ų | 122 | 137 Ų | 137 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -54 | 164 | 153.7 | -94.2 | 66.9 | 0 | 0 | 0 | 110 | | |
| 20 | Y | 61 | Low | 54.1 | Low | 186 Ų | 186 | 134.8 Ų | 134.8 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | 78.5 | 77.1 | 164.6 | -38.6 | -71.4 | 0 | 0 | 0 | 116.1 | | |
| 21 | S | 56.3 | Low | 54.8 | Low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -159.2 | -6.3 | 154 | -81.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 22 | L | 51.8 | Low | 54.4 | Low | 157 Ų | 157 | 133.2 Ų | 133.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -108.4 | 11.5 | -175.6 | -94.2 | 133.8 | 0 | 0 | 0 | 114.9 | I24 | L22-I24 PolarHBondContact O-N 2.73Å; L22-I24 VanDerWaalsContact C-N 3.25Å |
| 23 | D | 59.2 | Low | 55.1 | Low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -79.8 | 3.1 | 177.2 | -67.2 | -32.1 | 0 | 0 | 0 | 114.1 | | |
| 24 | I | 57.6 | Low | 55.3 | Low | 154 Ų | 154 | 134.9 Ų | 134.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -114 | 45.6 | -174.6 | -46 | 177.1 | 0 | 0 | 0 | 112.2 | L22 | L22-I24 PolarHBondContact O-N 2.73Å; L22-I24 VanDerWaalsContact C-N 3.25Å |
| 25 | I | 55.3 | Low | 55.4 | Low | 156 Ų | 156 | 134.7 Ų | 134.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -143 | -9.6 | 164.1 | -49.8 | 178.4 | 0 | 0 | 0 | 114.4 | | |
| 26 | S | 54.5 | Low | 55.9 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -96.2 | 0.9 | -173.8 | 57.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 27 | E | 56 | Low | 55.4 | Low | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -103.1 | 44.6 | -176.6 | -157.2 | -172.3 | 168.8 | 0 | 0 | 113.8 | | |
| 28 | A | 59.7 | Low | 56 | Low | 90 Ų | 90 | 145.3 Ų | 145.3 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -143.4 | 12.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 29 | C | 46.8 | Very low | 55.9 | Low | 131 Ų | 131 | 151.7 Ų | 151.7 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | -133.6 | 63.2 | 172.8 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 30 | N | 61 | Low | 56 | Low | 158 Ų | 158 | 152.1 Ų | 152.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -89.6 | 102.5 | 156.1 | -177.9 | 22 | 0 | 0 | 0 | 107.4 | | |
| 31 | E | 60 | Low | 55.2 | Low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -128.7 | 84.9 | 171 | -157.9 | 160.1 | -167.8 | 0 | 0 | 109 | | |
| 32 | D | 56.3 | Low | 55.3 | Low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | trans | -69.3 | 114.6 | 157.6 | -175.9 | -104.6 | 0 | 0 | 0 | 107.8 | | |
| 33 | N | 55.3 | Low | 55.2 | Low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | trans | -123.7 | 104.5 | -179.9 | 158.4 | 1.7 | 0 | 0 | 0 | 108.4 | | |
| 34 | T | 48.8 | Very low | 54.9 | Low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | | | trans | -138 | 120.2 | 152.1 | -40.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 35 | E | 50.8 | Low | 55 | Low | 133 Ų | 133 | 145.1 Ų | 145.1 | 62% | 0.621 | 80% | 0.799 | S | S | * | * | | | trans | 65.3 | 111 | 153.6 | -85.2 | -170 | 116 | 0 | 0 | 123.5 | | |
| 36 | K | 58.1 | Low | 55.2 | Low | 180 Ų | 180 | 142.7 Ų | 142.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | | 78.3 | 106.8 | 126.7 | -66.4 | 179.3 | 178.4 | 165.9 | 0 | 119.8 | | |
| 37 | D | 45.4 | Very low | 55.4 | Low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | | -163.9 | 152.2 | 117.8 | -161.7 | 15.3 | 0 | 0 | 0 | 112.4 | | |
| 38 | K | 65.2 | Low | 55.4 | Low | 186 Ų | 186 | 144.2 Ų | 144.2 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | | | trans | -76.4 | 126.8 | -170 | -62.4 | 171 | 177.1 | 179.7 | 0 | 113.7 | | |
| 39 | R | 53.6 | Low | 55.4 | Low | 243 Ų | 243 | 142.7 Ų | 142.7 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -150.9 | 150.3 | 144.7 | -70.3 | -160.8 | -178.2 | -177 | 1.8 | 112.4 | | |
| 40 | P | 63.3 | Low | 55.8 | Low | 131 Ų | 131 | 144 Ų | 144 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -90.8 | 121.3 | 179.6 | 34.4 | -27.2 | 0 | 0 | 0 | 110.6 | | |
| 41 | A | 43.6 | Very low | 55.9 | Low | 85 Ų | 85 | 145.2 Ų | 145.2 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | | | trans | -152.9 | 124.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S43 | A41-S43 PolarHBondContact O-N 2.81Š|
| 42 | T | 59 | Low | 55.7 | Low | 152 Ų | 152 | 146.4 Ų | 146.4 | 93% | 0.933 | 78% | 0.778 | S | S | * | * | | | trans | -32.2 | 111.4 | 159.4 | 38.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 43 | S | 49.7 | Very low | 56 | Low | 119 Ų | 119 | 146.9 Ų | 146.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -160.1 | 124.3 | 169.1 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | A41 | A41-S43 PolarHBondContact O-N 2.81Š|
| 44 | G | 52.1 | Low | 56.3 | Low | 59 Ų | 59 | 147.8 Ų | 147.8 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | 70.5 | 85.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T46 | G44-T46 PolarHBondContact O-N 2.79Š|
| 45 | H | 61.3 | Low | 57 | Low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | trans | -66.7 | 87.8 | 145.2 | -175.7 | 83.7 | 0 | 0 | 0 | 108 | | |
| 46 | T | 59.8 | Low | 57.9 | Low | 105 Ų | 105 | 146.2 Ų | 146.2 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | | | trans | -138.6 | 93.7 | 162.5 | 49.3 | 0 | 0 | 0 | 0 | 109 | G44 C48 | G44-T46 PolarHBondContact O-N 2.79Å; T46-C48 PolarHBondContact O-N 2.71Å |
| 47 | R | 58.1 | Low | 58.3 | Low | 225 Ų | 225 | 147.2 Ų | 147.2 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | | | trans | -68.6 | 75.3 | 153.6 | -176.4 | -179.1 | -70 | -169.9 | -2.2 | 107.5 | G49 | R47-G49 PolarHBondContact O-N 2.75Š|
| 48 | C | 56.4 | Low | 59.3 | Low | 115 Ų | 115 | 145 Ų | 145 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | -81.6 | 55.4 | 165 | -72.7 | 0 | 0 | 0 | 0 | 109 | T46 | T46-C48 PolarHBondContact O-N 2.71Š|
| 49 | G | 58.3 | Low | 59.3 | Low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | | | trans | -110.2 | 49.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R47 | R47-G49 PolarHBondContact O-N 2.75Š|
| 50 | L | 55.8 | Low | 59.8 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | -133.3 | 47.7 | 175.5 | -129.1 | 113.8 | 0 | 0 | 0 | 111.3 | R52 | L50-R52 PolarHBondContact O-N 3.09Š|
| 51 | M | 63.5 | Low | 60.4 | Low | 184 Ų | 184 | 132.2 Ų | 132.2 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | | | trans | -78.4 | 77.4 | 156.2 | -68.5 | -176.6 | 74.7 | 0 | 0 | 108.6 | | |
| 52 | R | 55.7 | Low | 61.5 | Low | 202 Ų | 202 | 134 Ų | 134 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | trans | -146.1 | 87.7 | 143.5 | -69.2 | -161.6 | 178.4 | 90.7 | 3.2 | 105.2 | L50 Q54 | L50-R52 PolarHBondContact O-N 3.09Å; R52-Q54 HydrophobicContact CB-CG 4.08Å; R52-Q54 PolarHBondContact O-N 2.68Å |
| 53 | D | 61.7 | Low | 61.7 | Low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | | | trans | -67.5 | 68.7 | 160.7 | -152.2 | 21.5 | 0 | 0 | 0 | 106.7 | S55 | D53-S55 PolarHBondContact O-N 2.78Å; D53-S55 VanDerWaalsContact O-N 3.16Å |
| 54 | Q | 61.4 | Low | 62.5 | Low | 153 Ų | 153 | 131.3 Ų | 131.3 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | | | trans | -69.7 | 108.4 | 162.8 | -66.7 | -155.2 | 81.1 | 0 | 0 | 103.9 | R52 I56 | R52-Q54 HydrophobicContact CB-CG 4.08Å; R52-Q54 PolarHBondContact O-N 2.68Å; Q54-I56 PolarHBondContact O-N 3.01Å |
| 55 | S | 63.2 | Low | 63.2 | Low | 75 Ų | 75 | 134.8 Ų | 134.8 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | | | trans | -27.4 | 107.5 | 171.7 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | D53 W57 | D53-S55 PolarHBondContact O-N 2.78Å; D53-S55 VanDerWaalsContact O-N 3.16Å; S55-W57 PolarHBondContact O-N 3.41Å; S55-W57 PolarHBondContact OG-N 2.89Å; S55-W57 PolarHBondContact OG-O 3Å |
| 56 | I | 70.5 | Confident | 63.5 | Low | 139 Ų | 139 | 131.3 Ų | 131.3 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -61.2 | -14 | 175.6 | -68.8 | 171.1 | 0 | 0 | 0 | 110.7 | Q54 | Q54-I56 PolarHBondContact O-N 3.01Š|
| 57 | W | 67.2 | Low | 64.1 | Low | 201 Ų | 201 | 137.2 Ų | 137.2 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -101.3 | 120.9 | 176.2 | -58.2 | 103.2 | 0 | 0 | 0 | 109.3 | S55 N59 | S55-W57 PolarHBondContact O-N 3.41Å; S55-W57 PolarHBondContact OG-N 2.89Å; S55-W57 PolarHBondContact OG-O 3Å; W57-N59 PolarHBondContact O-N 3.26Å |
| 58 | P | 65.7 | Low | 64.9 | Low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | trans | -50.8 | 126.4 | 169.3 | -22 | 30.9 | 0 | 0 | 0 | 108.6 | P60 | P58-P60 WeakPolarHBondContact O-CD 3.25Å; P58-P60 VanDerWaalsContact O-N 3.14Å |
| 59 | N | 64.6 | Low | 66.2 | Low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | | | trans | -62.2 | 115.3 | 165.7 | -86 | -11.7 | 0 | 0 | 0 | 106.6 | W57 S61 | W57-N59 PolarHBondContact O-N 3.26Å; N59-S61 PolarHBondContact O-N 2.71Å |
| 60 | P | 63.9 | Low | 67.4 | Low | 53 Ų | 53 | 136.8 Ų | 136.8 | 34% | 0.344 | 73% | 0.731 | S | S | . | * | | | trans | -60.5 | 140.9 | 168.9 | 23.3 | -27.8 | 0 | 0 | 0 | 108 | P58 E64 L65 | P58-P60 WeakPolarHBondContact O-CD 3.25Å; P58-P60 VanDerWaalsContact O-N 3.14Å; P60-E64 WeakPolarHBondContact CB-O 3.12Å; P60-L65 HydrophobicContact CB-CG 4.16Å; P60-L65 HydrophobicContact CG-CD1 3.71Å; P60-L65 HydrophobicContact CG-CD2 3.3Å; P60-L65 HydrophobicContact CG-CG 3.23Å; P60-L65 HydrophobicContact CB-CD2 4.3Å |
| 61 | S | 76.8 | Confident | 68.9 | Low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | | | trans | -52.8 | 150.1 | 171.3 | 63.8 | 0 | 0 | 0 | 0 | 108.7 | N59 G63 E64 | N59-S61 PolarHBondContact O-N 2.71Å; S61-G63 PolarHBondContact O-N 2.79Å; S61-E64 PolarHBondContact O-N 3.13Å; S61-E64 VanDerWaalsContact O-N 3.16Å |
| 62 | A | 65.9 | Low | 69.9 | Low | 123 Ų | 123 | 140.1 Ų | 140.1 | 100% | 1.017 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 18.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 63 | G | 63.2 | Low | 71.4 | Confident | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | -6.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S61 | S61-G63 PolarHBondContact O-N 2.79Š|
| 64 | E | 68.1 | Low | 72.6 | Confident | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | | | trans | -130.1 | 66.2 | -176.7 | -77.9 | -163.4 | 126.5 | 0 | 0 | 113.6 | P60 S61 | P60-E64 WeakPolarHBondContact CB-O 3.12Å; S61-E64 PolarHBondContact O-N 3.13Å; S61-E64 VanDerWaalsContact O-N 3.16Å |
| 65 | L | 65.9 | Low | 73.7 | Confident | 133 Ų | 133 | 137.2 Ų | 137.2 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | | | trans | -106 | 72 | 155.1 | -82.6 | 170.2 | 0 | 0 | 0 | 109.3 | P60 R67 | P60-L65 HydrophobicContact CB-CG 4.16Å; P60-L65 HydrophobicContact CG-CD1 3.71Å; P60-L65 HydrophobicContact CG-CD2 3.3Å; P60-L65 HydrophobicContact CG-CG 3.23Å; P60-L65 HydrophobicContact CB-CD2 4.3Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 2.97Å |
| 66 | V | 68.6 | Low | 74.5 | Confident | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | -74.4 | 91.1 | 167.3 | -168.4 | 0 | 0 | 0 | 0 | 107.5 | T68 | V66-T68 HydrophobicContact CG1-CG2 3.58Å; V66-T68 PolarHBondContact O-N 2.98Å |
| 67 | R | 70.8 | Confident | 75.1 | Confident | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | | | trans | -71.7 | 84 | 164.8 | -77.4 | -179.7 | 157.1 | 163.1 | -4.5 | 108.2 | L65 Q69 | L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 2.97Å; R67-Q69 PolarHBondContact O-N 2.66Å |
| 68 | T | 76.6 | Confident | 75.4 | Confident | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | | | trans | -73.6 | 110.7 | 167.8 | 57.3 | 0 | 0 | 0 | 0 | 108.2 | V66 | V66-T68 HydrophobicContact CG1-CG2 3.58Å; V66-T68 PolarHBondContact O-N 2.98Å |
| 69 | Q | 83.9 | Confident | 75.6 | Confident | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.5 | 160.2 | -88.4 | -92.9 | 12.9 | 0 | 0 | 107.6 | R67 | R67-Q69 PolarHBondContact O-N 2.66Š|
| 70 | P | 82 | Confident | 75.8 | Confident | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 146.9 | 173.8 | 26.4 | -32.7 | 0 | 0 | 0 | 109.3 | R72 | P70-R72 PolarHBondContact O-N 2.83Š|
| 71 | E | 87.3 | Confident | 75.8 | Confident | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.4 | 178.4 | -167.3 | 175.5 | 163.4 | 0 | 0 | 110.3 | L73 | E71-L73 PolarHBondContact O-N 2.8Š|
| 72 | R | 84.7 | Confident | 75.1 | Confident | 220 Ų | 220 | 145.9 Ų | 145.9 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 135.1 | 177.7 | -74.7 | -171.9 | -77.7 | 115 | -4.7 | 109.1 | P70 | P70-R72 PolarHBondContact O-N 2.83Š|
| 73 | L | 86.9 | Confident | 74.7 | Confident | 156 Ų | 156 | 145.7 Ų | 145.7 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 146.4 | 177.1 | -66.9 | 174.2 | 0 | 0 | 0 | 111.1 | E71 Q75 | E71-L73 PolarHBondContact O-N 2.8Å; L73-Q75 PolarHBondContact O-N 2.82Å |
| 74 | P | 88.3 | Confident | 74.3 | Confident | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132 | 171.8 | -23.4 | 32.8 | 0 | 0 | 0 | 110.2 | L76 | P74-L76 VanDerWaalsContact O-N 3.12Å; P74-L76 PolarHBondContact O-N 2.94Å |
| 75 | Q | 83.8 | Confident | 74 | Confident | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.6 | 173.4 | -71.2 | -177.2 | -21.8 | 0 | 0 | 108.2 | L73 Q77 | L73-Q75 PolarHBondContact O-N 2.82Å; Q75-Q77 PolarHBondContact O-N 2.84Å; Q75-Q77 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 81 | Confident | 73.7 | Confident | 161 Ų | 161 | 149.6 Ų | 149.6 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118.1 | 169.4 | -67.6 | 173.4 | 0 | 0 | 0 | 107.1 | P74 T78 | P74-L76 VanDerWaalsContact O-N 3.12Å; P74-L76 PolarHBondContact O-N 2.94Å; L76-T78 PolarHBondContact O-N 2.94Å |
| 77 | Q | 82.2 | Confident | 73.3 | Confident | 196 Ų | 196 | 153 Ų | 153 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -65.6 | 94.9 | 167.9 | -65.1 | -176.9 | -65 | 0 | 0 | 106.2 | Q75 S79 | Q75-Q77 PolarHBondContact O-N 2.84Å; Q75-Q77 VanDerWaalsContact O-N 3.11Å; Q77-S79 VanDerWaalsContact C-N 3.32Å; Q77-S79 PolarHBondContact O-N 3.12Å |
| 78 | T | 72.6 | Confident | 72.6 | Confident | 126 Ų | 126 | 148.5 Ų | 148.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -60.3 | 107 | 161.5 | 53.2 | 0 | 0 | 0 | 0 | 104.7 | L76 A80 | L76-T78 PolarHBondContact O-N 2.94Å; T78-A80 PolarHBondContact O-N 3.11Å |
| 79 | S | 70.4 | Confident | 71.6 | Confident | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -47.2 | 116.3 | 165.2 | 175.7 | 0 | 0 | 0 | 0 | 105.5 | Q77 Q81 | Q77-S79 VanDerWaalsContact C-N 3.32Å; Q77-S79 PolarHBondContact O-N 3.12Å; S79-Q81 PolarHBondContact O-N 3.33Å |
| 80 | A | 69.5 | Low | 70.5 | Confident | 79 Ų | 79 | 146.4 Ų | 146.4 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -58.9 | 102.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 104 | T78 E82 | T78-A80 PolarHBondContact O-N 3.11Å; A80-E82 PolarHBondContact O-N 3.44Å |
| 81 | Q | 63 | Low | 69.6 | Low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -62.7 | 95.9 | 162.8 | -179.1 | 173.3 | -37.7 | 0 | 0 | 103.8 | S79 | S79-Q81 PolarHBondContact O-N 3.33Š|
| 82 | E | 62.4 | Low | 68.3 | Low | 152 Ų | 152 | 149.1 Ų | 149.1 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | | | trans | -43.5 | 132.6 | 164.4 | -84 | -72.5 | 124.4 | 0 | 0 | 106.6 | A80 G84 | A80-E82 PolarHBondContact O-N 3.44Å; E82-G84 PolarHBondContact O-N 2.98Å |
| 83 | P | 58.3 | Low | 67.4 | Low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -66.4 | 76.2 | 165.5 | -7 | 22.3 | 0 | 0 | 0 | 107.1 | K85 | P83-K85 PolarHBondContact O-N 3.45Š|
| 84 | G | 54.2 | Low | 66.2 | Low | 55 Ų | 55 | 142.4 Ų | 142.4 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | | | trans | -64.7 | 92 | 165.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | E82 E86 | E82-G84 PolarHBondContact O-N 2.98Å; G84-E86 PolarHBondContact O-N 3.22Å |
| 85 | K | 60.9 | Low | 65 | Low | 194 Ų | 194 | 139.7 Ų | 139.7 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -18.6 | 104.7 | 156.6 | 52.9 | -163.5 | 176.8 | -71 | 0 | 110.8 | P83 | P83-K85 PolarHBondContact O-N 3.45Š|
| 86 | E | 59.6 | Low | 64 | Low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 64.7 | 88.6 | 157.8 | -161.5 | 164.3 | -166 | 0 | 0 | 117 | G84 | G84-E86 PolarHBondContact O-N 3.22Š|
| 87 | E | 61 | Low | 63 | Low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -138.5 | 52.9 | 135.8 | -156.7 | -173.2 | 157.6 | 0 | 0 | 110.2 | G89 | E87-G89 PolarHBondContact O-N 3.18Š|
| 88 | T | 55.1 | Low | 62.2 | Low | 135 Ų | 135 | 140.3 Ų | 140.3 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -76.8 | 55.3 | 149.1 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | K90 | T88-K90 PolarHBondContact O-N 2.92Š|
| 89 | G | 57.1 | Low | 61.9 | Low | 57 Ų | 57 | 142 Ų | 142 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | | | trans | -67.1 | 81.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | E87 | E87-G89 PolarHBondContact O-N 3.18Š|
| 90 | K | 59.8 | Low | 61.9 | Low | 187 Ų | 187 | 141.7 Ų | 141.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | 51.6 | 84.5 | 154.8 | -125.9 | 171.8 | -175.2 | 174.5 | 0 | 112.1 | T88 K92 | T88-K90 PolarHBondContact O-N 2.92Å; K90-K92 PolarHBondContact O-N 2.88Å |
| 91 | I | 63 | Low | 61.6 | Low | 166 Ų | 166 | 144.6 Ų | 144.6 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -60.9 | 84.6 | 151.2 | 47.5 | 162.6 | 0 | 0 | 0 | 107 | N93 | I91-N93 PolarHBondContact O-N 3Å; I91-N93 VanDerWaalsContact O-N 3.09Å |
| 92 | K | 61.5 | Low | 61.9 | Low | 184 Ų | 184 | 138.8 Ų | 138.8 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -61.6 | 117.3 | 174.8 | 57.6 | -175.2 | 178.5 | -176.7 | 0 | 105.6 | K90 G94 | K90-K92 PolarHBondContact O-N 2.88Å; K92-G94 PolarHBondContact O-N 3.06Å; K92-G94 VanDerWaalsContact C-N 3.27Å |
| 93 | N | 64.8 | Low | 62.2 | Low | 168 Ų | 168 | 139.1 Ų | 139.1 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | trans | -47.3 | 89.6 | 178 | -53.7 | -53.2 | 0 | 0 | 0 | 109.7 | I91 | I91-N93 PolarHBondContact O-N 3Å; I91-N93 VanDerWaalsContact O-N 3.09Å |
| 94 | G | 61.2 | Low | 62.7 | Low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -120.8 | 52.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | K92 | K92-G94 PolarHBondContact O-N 3.06Å; K92-G94 VanDerWaalsContact C-N 3.27Å |
| 95 | G | 63 | Low | 63.5 | Low | 59 Ų | 59 | 140.6 Ų | 140.6 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | trans | 69.4 | 124.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T97 | G95-T97 PolarHBondContact O-N 2.76Š|
| 96 | H | 63.8 | Low | 64 | Low | 192 Ų | 192 | 136.9 Ų | 136.9 | 89% | 0.889 | 77% | 0.769 | S | S | * | * | | | trans | -56.5 | 97.7 | 152.7 | -66.2 | -79 | 0 | 0 | 0 | 105.8 | R98 | H96-R98 VanDerWaalsContact C-N 3.26Å; H96-R98 PolarHBondContact O-N 3.16Å |
| 97 | T | 59.2 | Low | 64.4 | Low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -53.4 | 105.7 | 165 | -63 | 0 | 0 | 0 | 0 | 103.5 | G95 M99 | G95-T97 PolarHBondContact O-N 2.76Å; T97-M99 PolarHBondContact O-N 2.94Å |
| 98 | R | 65.7 | Low | 64.6 | Low | 235 Ų | 235 | 132.3 Ų | 132.3 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -54.7 | 98 | 176.6 | -87.6 | 176.9 | 163.1 | -111 | 1.5 | 105.1 | H96 S100 | H96-R98 VanDerWaalsContact C-N 3.26Å; H96-R98 PolarHBondContact O-N 3.16Å; R98-S100 PolarHBondContact O-N 2.68Å |
| 99 | M | 66.9 | Low | 65 | Low | 160 Ų | 160 | 129.6 Ų | 129.6 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | -69.4 | 90.1 | 166.6 | -60.5 | -154.2 | -50.5 | 0 | 0 | 103.8 | T97 N101 | T97-M99 PolarHBondContact O-N 2.94Å; M99-N101 VanDerWaalsContact O-OD1 3.13Å; M99-N101 PolarHBondContact O-OD1 3.48Å; M99-N101 PolarHBondContact O-N 3.18Å; M99-N101 VanDerWaalsContact C-N 3.26Å |
| 100 | S | 69.1 | Low | 65.7 | Low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | -64.5 | 97.9 | 166 | 156 | 0 | 0 | 0 | 0 | 105.1 | R98 G102 | R98-S100 PolarHBondContact O-N 2.68Å; S100-G102 PolarHBondContact O-N 3.06Å |
| 101 | N | 64.6 | Low | 66.1 | Low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 86.1 | 162.2 | -48.8 | -3.3 | 0 | 0 | 0 | 104 | M99 N103 | M99-N101 VanDerWaalsContact O-OD1 3.13Å; M99-N101 PolarHBondContact O-OD1 3.48Å; M99-N101 PolarHBondContact O-N 3.18Å; M99-N101 VanDerWaalsContact C-N 3.26Å; N101-N103 PolarHBondContact O-N 3.46Å |
| 102 | G | 69.1 | Low | 66.1 | Low | 58 Ų | 58 | 138.6 Ų | 138.6 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | | | trans | -70.7 | 66.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S100 | S100-G102 PolarHBondContact O-N 3.06Š|
| 103 | N | 68.8 | Low | 66.4 | Low | 159 Ų | 159 | 136.3 Ų | 136.3 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -101.2 | 69.2 | 156.1 | -85.5 | 48.6 | 0 | 0 | 0 | 107.1 | N101 I105 | N101-N103 PolarHBondContact O-N 3.46Å; N103-I105 PolarHBondContact O-N 3.16Å |
| 104 | G | 69.4 | Low | 66.4 | Low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -71.1 | 109.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P106 | G104-P106 VanDerWaalsContact O-CD 3.25Å; G104-P106 WeakPolarHBondContact O-CD 3.35Å |
| 105 | I | 70.6 | Confident | 66.7 | Low | 137 Ų | 137 | 138.4 Ų | 138.4 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | | | trans | -65.7 | 117.4 | 159.1 | -59.8 | -175.5 | 0 | 0 | 0 | 105.2 | N103 H107 | N103-I105 PolarHBondContact O-N 3.16Å; I105-H107 PolarHBondContact O-N 2.63Å |
| 106 | P | 70.4 | Confident | 67 | Low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -64.3 | 111.8 | 172 | 26 | -30.4 | 0 | 0 | 0 | 107.3 | G104 G108 | G104-P106 VanDerWaalsContact O-CD 3.25Å; G104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-G108 VanDerWaalsContact C-N 3.26Å; P106-G108 PolarHBondContact O-N 2.94Å |
| 107 | H | 68.9 | Low | 67.1 | Low | 196 Ų | 196 | 140 Ų | 140 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -69.1 | 89.4 | 168.7 | -72.6 | -64.8 | 0 | 0 | 0 | 108.5 | I105 | I105-H107 PolarHBondContact O-N 2.63Š|
| 108 | G | 64.9 | Low | 67.7 | Low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | -120.1 | 135.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | P106 | P106-G108 VanDerWaalsContact C-N 3.26Å; P106-G108 PolarHBondContact O-N 2.94Å |
| 109 | A | 63.8 | Low | 67.8 | Low | 78 Ų | 78 | 134.5 Ų | 134.5 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | | | cis | -147.8 | 146.9 | 6.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | H111 | A109-H111 PolarHBondContact O-N 3.34Š|
| 110 | K | 70.6 | Confident | 67.9 | Low | 207 Ų | 207 | 132.5 Ų | 132.5 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | | | trans | -78.7 | 112.4 | 159.6 | -61.5 | -172.1 | -176.7 | -174.7 | 0 | 106.4 | | |
| 111 | H | 68.4 | Low | 67.8 | Low | 178 Ų | 178 | 135 Ų | 135 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -76.2 | 134.8 | 161.9 | -80.8 | -152.2 | 0 | 0 | 0 | 108.3 | A109 | A109-H111 PolarHBondContact O-N 3.34Š|
| 112 | V | 63.9 | Low | 68.1 | Low | 214 Ų | 214 | 134.6 Ų | 134.6 | 100% | 1.297 | 81% | 0.809 | S | S | * | * | | | trans | -72.9 | 0 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | | |