| 1 | K | 47 | Very low | 54 | Low | 268 Ų | 268 | 154.8 Ų | 154.8 | 100% | 1.165 | 82% | 0.821 | S | S | * | * | | | | 0 | 113.8 | 0 | -135.5 | -180 | -175.1 | -171.5 | 0 | 107.1 | | |
| 2 | A | 48.9 | Very low | 53.8 | Low | 97 Ų | 97 | 155.1 Ų | 155.1 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | -79 | 146.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 3 | I | 59.9 | Low | 54 | Low | 160 Ų | 160 | 156.8 Ų | 156.8 | 82% | 0.821 | 82% | 0.819 | S | S | * | * | | | trans | -144.8 | 104.6 | 148.8 | 32.3 | 173.6 | 0 | 0 | 0 | 107.3 | | |
| 4 | A | 53.8 | Low | 53.3 | Low | 91 Ų | 91 | 157.6 Ų | 157.6 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | | | trans | -64.7 | 143.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 5 | K | 62.3 | Low | 53.3 | Low | 201 Ų | 201 | 154.1 Ų | 154.1 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -132 | 105.9 | 156.8 | -70.6 | -169.5 | 178.8 | -175 | 0 | 108.5 | | |
| 6 | T | 53.8 | Low | 53.2 | Low | 136 Ų | 136 | 153.6 Ų | 153.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -78.1 | 131.1 | 162.6 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 7 | E | 50.6 | Low | 52.9 | Low | 197 Ų | 197 | 152.6 Ų | 152.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -167.7 | 117.5 | 149 | -155.2 | 175.6 | 172.6 | 0 | 0 | 104.9 | | |
| 8 | G | 44.1 | Very low | 52.7 | Low | 69 Ų | 69 | 151.4 Ų | 151.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | cis | 122.3 | 79.8 | 40.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | K10 | G8-K10 PolarHBondContact O-N 2.94Š|
| 9 | E | 54 | Low | 52.6 | Low | 140 Ų | 140 | 151.5 Ų | 151.5 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | | | trans | -54.3 | 126.9 | 175.7 | -177.7 | -173.3 | 122 | 0 | 0 | 110.9 | K11 | E9-K11 HydrophobicContact CG-CD 4.48Å; E9-K11 HydrophobicContact CG-CG 3.93Å; E9-K11 WeakPolarHBondContact OE1-CD 3.37Å; E9-K11 WeakPolarHBondContact OE1-CE 3.12Å; E9-K11 WeakPolarHBondContact OE1-CG 3.22Å; E9-K11 IonicContact OE1-NZ 2.75Å; E9-K11 PolarHBondContact OE1-NZ 3.42Å; E9-K11 IonicContact OE2-NZ 2.94Å; E9-K11 PolarHBondContact OE2-NZ 3.25Å |
| 10 | K | 59.3 | Low | 52.4 | Low | 207 Ų | 207 | 152.7 Ų | 152.7 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | | | trans | -123.7 | 83.1 | 158.8 | -93.1 | 180 | 178.2 | 160.4 | 0 | 110.1 | G8 N12 | G8-K10 PolarHBondContact O-N 2.94Å; K10-N12 PolarHBondContact O-N 2.75Å |
| 11 | K | 60.2 | Low | 52.1 | Low | 137 Ų | 137 | 152.6 Ų | 152.6 | 60% | 0.596 | 79% | 0.791 | S | S | * | * | | | trans | -63 | 110.9 | 156.4 | -69.9 | 179.9 | -174.3 | 125.2 | 0 | 108.2 | E9 K13 | E9-K11 HydrophobicContact CG-CD 4.48Å; E9-K11 HydrophobicContact CG-CG 3.93Å; E9-K11 WeakPolarHBondContact OE1-CD 3.37Å; E9-K11 WeakPolarHBondContact OE1-CE 3.12Å; E9-K11 WeakPolarHBondContact OE1-CG 3.22Å; E9-K11 IonicContact OE1-NZ 2.75Å; E9-K11 PolarHBondContact OE1-NZ 3.42Å; E9-K11 IonicContact OE2-NZ 2.94Å; E9-K11 PolarHBondContact OE2-NZ 3.25Å; K11-K13 PolarHBondContact O-N 3.26Å |
| 12 | N | 52.1 | Low | 52.5 | Low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -68.7 | 92.8 | 166.3 | 52.2 | -18.5 | 0 | 0 | 0 | 109 | K10 L14 | K10-N12 PolarHBondContact O-N 2.75Å; N12-L14 PolarHBondContact O-N 3.07Å |
| 13 | K | 55.7 | Low | 52.4 | Low | 177 Ų | 177 | 149 Ų | 149 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -72.4 | 105.8 | 167.6 | 19.6 | -176.8 | 173.2 | -69 | 0 | 107.2 | K11 T15 | K11-K13 PolarHBondContact O-N 3.26Å; K13-T15 VanDerWaalsContact C-N 3.34Å; K13-T15 PolarHBondContact O-N 3.31Å; K13-T15 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 44.8 | Very low | 51.6 | Low | 168 Ų | 168 | 148 Ų | 148 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | | | trans | -74 | 91.1 | 165.7 | 179.7 | 67.6 | 0 | 0 | 0 | 106.8 | N12 Q16 | N12-L14 PolarHBondContact O-N 3.07Å; L14-Q16 PolarHBondContact O-N 3.16Å |
| 15 | T | 53.4 | Low | 51.5 | Low | 105 Ų | 105 | 148.8 Ų | 148.8 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | | | trans | -77 | 108 | 168.9 | -48.6 | 0 | 0 | 0 | 0 | 106.9 | K13 D17 | K13-T15 VanDerWaalsContact C-N 3.34Å; K13-T15 PolarHBondContact O-N 3.31Å; K13-T15 VanDerWaalsContact O-N 3.16Å; T15-D17 PolarHBondContact O-N 2.96Å |
| 16 | Q | 50.8 | Low | 50.6 | Low | 147 Ų | 147 | 142.8 Ų | 142.8 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | trans | -76.1 | 94.4 | 167.7 | -177.6 | -179.2 | -11.7 | 0 | 0 | 106.8 | L14 Q18 | L14-Q16 PolarHBondContact O-N 3.16Å; Q16-Q18 VanDerWaalsContact C-N 3.33Å; Q16-Q18 HydrophobicContact CG-CG 4.41Å; Q16-Q18 PolarHBondContact O-N 3.18Å |
| 17 | D | 48.3 | Very low | 49.9 | Very low | 137 Ų | 137 | 143 Ų | 143 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -62.5 | 100.2 | 164.5 | -83.1 | -30.9 | 0 | 0 | 0 | 107 | T15 | T15-D17 PolarHBondContact O-N 2.96Š|
| 18 | Q | 49.2 | Very low | 50.1 | Low | 131 Ų | 131 | 139.7 Ų | 139.7 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | | | trans | -76.9 | 121.4 | 158.4 | -73.7 | -116.4 | 4.3 | 0 | 0 | 106.1 | Q16 H20 | Q16-Q18 VanDerWaalsContact C-N 3.33Å; Q16-Q18 HydrophobicContact CG-CG 4.41Å; Q16-Q18 PolarHBondContact O-N 3.18Å; Q18-H20 PolarHBondContact O-CD2 2.86Å; Q18-H20 VanDerWaalsContact O-CD2 3.3Å; Q18-H20 PolarHBondContact O-N 3.3Å |
| 19 | D | 52.2 | Low | 50.6 | Low | 153 Ų | 153 | 143.7 Ų | 143.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -50.8 | 99.3 | 179.5 | -60 | -63.1 | 0 | 0 | 0 | 111.1 | L21 | D19-L21 PolarHBondContact O-N 3.12Å; D19-L21 VanDerWaalsContact O-N 3.12Å |
| 20 | H | 47.6 | Very low | 50.6 | Low | 175 Ų | 175 | 145.2 Ų | 145.2 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -74.3 | 101.7 | 164.8 | -67.4 | -74.4 | 0 | 0 | 0 | 107.2 | Q18 | Q18-H20 PolarHBondContact O-CD2 2.86Å; Q18-H20 VanDerWaalsContact O-CD2 3.3Å; Q18-H20 PolarHBondContact O-N 3.3Å |
| 21 | L | 46.9 | Very low | 50 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -47.6 | 132 | 165.3 | -118 | 94.2 | 0 | 0 | 0 | 109 | D19 E23 | D19-L21 PolarHBondContact O-N 3.12Å; D19-L21 VanDerWaalsContact O-N 3.12Å; L21-E23 PolarHBondContact O-N 3.12Å; L21-E23 VanDerWaalsContact O-N 3.12Å |
| 22 | P | 53.9 | Low | 49.6 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | -67.9 | 115.7 | 171.4 | 25.2 | -29.9 | 0 | 0 | 0 | 109.4 | T24 | P22-T24 PolarHBondContact O-N 2.93Š|
| 23 | E | 47.2 | Very low | 49.4 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -58.8 | 104.9 | 163.1 | -66.9 | 176.7 | 128.3 | 0 | 0 | 108.1 | L21 S25 | L21-E23 PolarHBondContact O-N 3.12Å; L21-E23 VanDerWaalsContact O-N 3.12Å; E23-S25 PolarHBondContact O-N 3.07Å |
| 24 | T | 44.1 | Very low | 48.8 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -77.2 | 83.2 | 171 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | P22 | P22-T24 PolarHBondContact O-N 2.93Š|
| 25 | S | 50.1 | Low | 48.9 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -85.5 | 121.4 | 168.9 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | E23 | E23-S25 PolarHBondContact O-N 3.07Š|
| 26 | G | 45.1 | Very low | 48.7 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 73.9 | 102.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 27 | T | 38.9 | Very low | 48.5 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | | | trans | -121.3 | 113.2 | 140.1 | -39.5 | 0 | 0 | 0 | 0 | 108.4 | I29 | T27-I29 PolarHBondContact O-N 3.45Š|
| 28 | D | 53.3 | Low | 48.4 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | | | trans | -54.9 | 119 | 173.5 | -179.1 | -103.2 | 0 | 0 | 0 | 111.2 | | |
| 29 | I | 56.2 | Low | 48.1 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -134.9 | 112.4 | 152.3 | -51.7 | -179.3 | 0 | 0 | 0 | 107.1 | T27 T31 | T27-I29 PolarHBondContact O-N 3.45Å; I29-T31 PolarHBondContact O-N 3.39Å |
| 30 | K | 52.7 | Low | 47.9 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | trans | -54.3 | 123.7 | 178.3 | -54.9 | 178.1 | -176.6 | -172.8 | 0 | 110.4 | | |
| 31 | T | 46.4 | Very low | 48.6 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | -117.8 | 102.8 | 159.3 | -53.6 | 0 | 0 | 0 | 0 | 106.8 | I29 | I29-T31 PolarHBondContact O-N 3.39Š|
| 32 | E | 52.4 | Low | 49.4 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -65.6 | 134.5 | 169.4 | 58 | -147.4 | 164.2 | 0 | 0 | 110.5 | | |
| 33 | E | 47.2 | Very low | 49.8 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | 29 | 116.3 | 143.4 | -51.6 | -169.7 | 119.2 | 0 | 0 | 117.9 | | |
| 34 | D | 43.2 | Very low | 50.2 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | | 166.7 | 138.3 | 88.6 | -171.4 | 31.6 | 0 | 0 | 0 | 109.2 | | |
| 35 | C | 47 | Very low | 50.6 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 66% | 0.655 | 80% | 0.795 | S | S | * | * | | | trans | -82.1 | 155.3 | 179.7 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 36 | L | 49.3 | Very low | 50.9 | Low | 160 Ų | 160 | 139.6 Ų | 139.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | 77 | 108.8 | 159.3 | -41.1 | 177.2 | 0 | 0 | 0 | 116.2 | | |
| 37 | Q | 46.7 | Very low | 51 | Low | 199 Ų | 199 | 142.3 Ų | 142.3 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | | -163.8 | 142.1 | 126 | -111.7 | 167.5 | -13.3 | 0 | 0 | 113.9 | | |
| 38 | N | 47.5 | Very low | 51.5 | Low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -74.8 | 166.2 | -169.6 | -65.7 | -36.1 | 0 | 0 | 0 | 115.2 | | |
| 39 | S | 41.3 | Very low | 51.5 | Low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 89.5 | 156.6 | 151.2 | -76 | 0 | 0 | 0 | 0 | 119.7 | | |
| 40 | P | 49.6 | Very low | 51.3 | Low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | cis | -127.8 | 167.1 | -16.7 | 31.3 | -11.2 | 0 | 0 | 0 | 113.9 | | |
| 41 | K | 61.6 | Low | 51.6 | Low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.8 | 177.4 | -175.3 | 176.8 | -176.4 | 170.9 | 0 | 112.8 | | |
| 42 | P | 63.5 | Low | 52.3 | Low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.9 | 174.4 | 29 | -33.1 | 0 | 0 | 0 | 112.5 | | |
| 43 | P | 62.2 | Low | 52.9 | Low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 158.1 | -175.4 | 28.6 | -34.6 | 0 | 0 | 0 | 112.9 | T45 | P43-T45 PolarHBondContact O-N 2.75Š|
| 44 | P | 56.1 | Low | 53.9 | Low | 133 Ų | 133 | 135.4 Ų | 135.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.9 | 179.1 | 26.5 | -32.5 | 0 | 0 | 0 | 110.5 | S46 | P44-S46 PolarHBondContact O-N 2.94Š|
| 45 | T | 53.2 | Low | 55.2 | Low | 134 Ų | 134 | 137.4 Ų | 137.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 127 | 175.2 | -40.4 | 0 | 0 | 0 | 0 | 109.2 | P43 | P43-T45 PolarHBondContact O-N 2.75Š|
| 46 | S | 54.9 | Low | 56.5 | Low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 150.5 | 170.2 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | P44 S48 | P44-S46 PolarHBondContact O-N 2.94Å; S46-S48 PolarHBondContact O-N 3.13Å |
| 47 | P | 48.6 | Very low | 57.7 | Low | 132 Ų | 132 | 145.7 Ų | 145.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -69.8 | 96.5 | -178.8 | 28.2 | -32.1 | 0 | 0 | 0 | 108.8 | S49 | P47-S49 PolarHBondContact O-N 3.04Š|
| 48 | S | 49.1 | Very low | 59.1 | Low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -65.9 | 123.1 | 167.1 | 72.6 | 0 | 0 | 0 | 0 | 107.2 | S46 S50 | S46-S48 PolarHBondContact O-N 3.13Å; S48-S50 PolarHBondContact O-N 2.81Å |
| 49 | S | 53.7 | Low | 60.1 | Low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -58.5 | 101.5 | 177.3 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | P47 S51 | P47-S49 PolarHBondContact O-N 3.04Å; S49-S51 VanDerWaalsContact C-N 3.31Å; S49-S51 PolarHBondContact O-N 3.13Å |
| 50 | S | 51.6 | Low | 61.7 | Low | 91 Ų | 91 | 144.4 Ų | 144.4 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -73.7 | 89 | 177.6 | 76.5 | 0 | 0 | 0 | 0 | 109 | S48 N52 | S48-S50 PolarHBondContact O-N 2.81Å; S50-N52 PolarHBondContact O-N 3.3Å |
| 51 | S | 59.2 | Low | 62.7 | Low | 86 Ų | 86 | 148.1 Ų | 148.1 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | | | trans | -65.3 | 108.2 | 162.2 | 98.5 | 0 | 0 | 0 | 0 | 106.4 | S49 K53 | S49-S51 VanDerWaalsContact C-N 3.31Å; S49-S51 PolarHBondContact O-N 3.13Å; S51-K53 PolarHBondContact O-N 3.09Å |
| 52 | N | 60.6 | Low | 63.2 | Low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -69.8 | 75.4 | 173.8 | -69.9 | -44.4 | 0 | 0 | 0 | 109.2 | S50 K54 | S50-N52 PolarHBondContact O-N 3.3Å; N52-K54 PolarHBondContact O-N 3.21Å |
| 53 | K | 64.3 | Low | 63.6 | Low | 183 Ų | 183 | 148.9 Ų | 148.9 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -72.1 | 97.9 | 167 | -79.8 | -178 | -178.8 | 176.9 | 0 | 107.4 | S51 K55 | S51-K53 PolarHBondContact O-N 3.09Å; K53-K55 PolarHBondContact O-N 3.32Å |
| 54 | K | 68.8 | Low | 63.5 | Low | 206 Ų | 206 | 147.1 Ų | 147.1 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | | | trans | -57.1 | 102.6 | 170.8 | -173.5 | 167.8 | -177.3 | 172.8 | 0 | 108.5 | N52 R56 | N52-K54 PolarHBondContact O-N 3.21Å; K54-R56 PolarHBondContact O-N 2.87Å; K54-R56 VanDerWaalsContact O-N 3.1Å |
| 55 | K | 71.2 | Confident | 64.4 | Low | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -66.7 | 108.8 | 178.9 | -158.3 | 175.4 | -174.6 | -179 | 0 | 108 | K53 K57 | K53-K55 PolarHBondContact O-N 3.32Å; K55-K57 PolarHBondContact O-N 2.76Å |
| 56 | R | 74.3 | Confident | 65.6 | Low | 233 Ų | 233 | 147.5 Ų | 147.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -62.6 | 122 | 172.1 | -179 | 179.3 | -76.8 | 174.9 | -4.1 | 107.1 | K54 E58 | K54-R56 PolarHBondContact O-N 2.87Å; K54-R56 VanDerWaalsContact O-N 3.1Å; R56-E58 PolarHBondContact O-N 3.03Å |
| 57 | K | 74.6 | Confident | 66.6 | Low | 198 Ų | 198 | 152.7 Ų | 152.7 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | -69.8 | 112.6 | 173.1 | -67.2 | -172.4 | 179.4 | -174.1 | 0 | 107.4 | K55 I59 | K55-K57 PolarHBondContact O-N 2.76Å; K57-I59 PolarHBondContact O-N 3.5Å |
| 58 | E | 75.3 | Confident | 68.1 | Low | 177 Ų | 177 | 156 Ų | 156 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | -71.4 | 124.8 | 171 | -167.9 | 177.6 | 159.6 | 0 | 0 | 108.1 | R56 T60 | R56-E58 PolarHBondContact O-N 3.03Å; E58-T60 PolarHBondContact O-N 3.08Å |
| 59 | I | 69.7 | Low | 69.4 | Low | 150 Ų | 150 | 160.6 Ų | 160.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -86.7 | 105.7 | 175.1 | 38.2 | 166.1 | 0 | 0 | 0 | 108.2 | K57 K61 | K57-I59 PolarHBondContact O-N 3.5Å; I59-K61 PolarHBondContact O-N 3.14Å |
| 60 | T | 73.5 | Confident | 70.3 | Confident | 119 Ų | 119 | 163.1 Ų | 163.1 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | | | trans | -65.9 | 117 | 172.3 | -50.7 | 0 | 0 | 0 | 0 | 109 | E58 T62 | E58-T60 PolarHBondContact O-N 3.08Å; T60-T62 PolarHBondContact O-N 2.85Å |
| 61 | K | 70.3 | Confident | 71.5 | Confident | 196 Ų | 196 | 164.9 Ų | 164.9 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | | | trans | -73.5 | 109.3 | 167.5 | -66.5 | -167.7 | 179.8 | -175.6 | 0 | 107.6 | I59 E63 | I59-K61 PolarHBondContact O-N 3.14Å; K61-E63 PolarHBondContact O-N 3.14Å |
| 62 | T | 72.1 | Confident | 72.3 | Confident | 130 Ų | 130 | 168.6 Ų | 168.6 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 120.5 | 168.4 | 35.6 | 0 | 0 | 0 | 0 | 108.7 | T60 G64 | T60-T62 PolarHBondContact O-N 2.85Å; T62-G64 PolarHBondContact O-N 3.19Å |
| 63 | E | 71.4 | Confident | 73 | Confident | 191 Ų | 191 | 169.7 Ų | 169.7 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 133.9 | 171 | -171.6 | 175.4 | 171.1 | 0 | 0 | 109.1 | K61 G65 | K61-E63 PolarHBondContact O-N 3.14Å; E63-G65 PolarHBondContact O-N 3.2Å |
| 64 | G | 62 | Low | 73.4 | Confident | 71 Ų | 71 | 169.2 Ų | 169.2 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 122.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T62 K66 | T62-G64 PolarHBondContact O-N 3.19Å; G64-K66 PolarHBondContact O-N 3.09Å |
| 65 | G | 74.3 | Confident | 73.7 | Confident | 66 Ų | 66 | 163.2 Ų | 163.2 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 134.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E63 K67 | E63-G65 PolarHBondContact O-N 3.2Å; G65-K67 PolarHBondContact O-N 2.96Å |
| 66 | K | 78.1 | Confident | 73.9 | Confident | 209 Ų | 209 | 162.9 Ų | 162.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -50.2 | 110.2 | 171.6 | 36.6 | -174.7 | 170.1 | -176.2 | 0 | 110.7 | G64 K68 | G64-K66 PolarHBondContact O-N 3.09Å; K66-K68 PolarHBondContact O-N 3.16Å |
| 67 | K | 75.3 | Confident | 73.9 | Confident | 203 Ų | 203 | 159.1 Ų | 159.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | -70.2 | 112.6 | 175.4 | -65.6 | -168.4 | 179 | -178.6 | 0 | 109 | G65 | G65-K67 PolarHBondContact O-N 2.96Š|
| 68 | K | 80.2 | Confident | 73.8 | Confident | 202 Ų | 202 | 155 Ų | 155 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | -68.7 | 136.1 | 167.6 | 52.3 | -178.3 | 175.7 | 177.9 | 0 | 109.5 | K66 L70 | K66-K68 PolarHBondContact O-N 3.16Å; K68-L70 PolarHBondContact O-N 3.08Å |
| 69 | K | 76.8 | Confident | 73.8 | Confident | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | -72.7 | 123.5 | 173.5 | -64.8 | -133.4 | 178.5 | -175.3 | 0 | 108.3 | T71 | K69-T71 PolarHBondContact O-N 3.39Š|
| 70 | L | 73.3 | Confident | 73.9 | Confident | 170 Ų | 170 | 153.8 Ų | 153.8 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -77.9 | 109.6 | 169.8 | -169.3 | 85.6 | 0 | 0 | 0 | 106.8 | K68 Q72 | K68-L70 PolarHBondContact O-N 3.08Å; L70-Q72 PolarHBondContact O-N 3.39Å |
| 71 | T | 76.4 | Confident | 73.9 | Confident | 128 Ų | 128 | 155.9 Ų | 155.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -74.8 | 117.7 | 169.7 | -37.8 | 0 | 0 | 0 | 0 | 107 | K69 E73 | K69-T71 PolarHBondContact O-N 3.39Å; T71-E73 PolarHBondContact O-N 2.91Å; T71-E73 VanDerWaalsContact O-N 3.08Å |
| 72 | Q | 75.9 | Confident | 73.5 | Confident | 163 Ų | 163 | 150.4 Ų | 150.4 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | | | trans | -74.5 | 97.4 | 171.8 | -174.2 | -179.9 | 46.8 | 0 | 0 | 107.1 | L70 Q74 | L70-Q72 PolarHBondContact O-N 3.39Å; Q72-Q74 PolarHBondContact O-N 2.84Å; Q72-Q74 VanDerWaalsContact O-N 3.16Å |
| 73 | E | 75.3 | Confident | 73.1 | Confident | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -62.6 | 113.7 | 165.1 | -167.7 | -173.3 | 135.9 | 0 | 0 | 107 | T71 A75 | T71-E73 PolarHBondContact O-N 2.91Å; T71-E73 VanDerWaalsContact O-N 3.08Å; E73-A75 VanDerWaalsContact C-N 3.26Å; E73-A75 PolarHBondContact O-N 3.28Å |
| 74 | Q | 73.2 | Confident | 72.9 | Confident | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -72.4 | 91.6 | 168.2 | -80.4 | -164.6 | 21.9 | 0 | 0 | 107.2 | Q72 Q76 | Q72-Q74 PolarHBondContact O-N 2.84Å; Q72-Q74 VanDerWaalsContact O-N 3.16Å; Q74-Q76 PolarHBondContact O-N 3.47Å; Q74-Q76 VanDerWaalsContact O-N 3.09Å |
| 75 | A | 75.5 | Confident | 73.1 | Confident | 79 Ų | 79 | 149.5 Ų | 149.5 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | | | trans | -60.2 | 113.4 | 164 | 0 | 0 | 0 | 0 | 0 | 107.4 | E73 L77 | E73-A75 VanDerWaalsContact C-N 3.26Å; E73-A75 PolarHBondContact O-N 3.28Å; A75-L77 PolarHBondContact O-N 3.45Å; A75-L77 VanDerWaalsContact O-N 3.14Å |
| 76 | Q | 74.6 | Confident | 72.8 | Confident | 190 Ų | 190 | 154 Ų | 154 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -70.4 | 110.1 | 173 | -167.1 | 161.3 | 75.6 | 0 | 0 | 107 | Q74 | Q74-Q76 PolarHBondContact O-N 3.47Å; Q74-Q76 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 74 | Confident | 72.1 | Confident | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.9 | 176.4 | -87.8 | 151.1 | 0 | 0 | 0 | 108.9 | A75 E79 | A75-L77 PolarHBondContact O-N 3.45Å; A75-L77 VanDerWaalsContact O-N 3.14Å; L77-E79 PolarHBondContact O-N 3.24Å |
| 78 | P | 72.9 | Confident | 71.6 | Confident | 111 Ų | 111 | 147.3 Ų | 147.3 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 142.2 | 172.3 | -20.5 | 30.6 | 0 | 0 | 0 | 110 | | |
| 79 | E | 74.7 | Confident | 70.9 | Confident | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 134.2 | 172.7 | -71 | -173.8 | 149.5 | 0 | 0 | 109.4 | L77 L81 | L77-E79 PolarHBondContact O-N 3.24Å; E79-L81 PolarHBondContact O-N 3.06Å |
| 80 | P | 72.5 | Confident | 70.2 | Confident | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | -62.6 | 115.2 | 178.2 | 24.7 | -31.2 | 0 | 0 | 0 | 108.4 | G82 | P80-G82 PolarHBondContact O-N 3.44Å; P80-G82 VanDerWaalsContact O-N 3.13Å |
| 81 | L | 72.3 | Confident | 69.7 | Low | 162 Ų | 162 | 138.6 Ų | 138.6 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -55.3 | 119.8 | 165.9 | -76.9 | 164.6 | 0 | 0 | 0 | 106.7 | E79 T83 | E79-L81 PolarHBondContact O-N 3.06Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 2.91Å; L81-T83 PolarHBondContact O-OG1 3.06Å |
| 82 | G | 63.3 | Low | 69.3 | Low | 82 Ų | 82 | 139.7 Ų | 139.7 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -55.8 | 96.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P80 | P80-G82 PolarHBondContact O-N 3.44Å; P80-G82 VanDerWaalsContact O-N 3.13Å |
| 83 | T | 63.7 | Low | 69.3 | Low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -74.2 | 124.9 | 169 | -20.4 | 0 | 0 | 0 | 0 | 106.4 | L81 I85 | L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 2.91Å; L81-T83 PolarHBondContact O-OG1 3.06Å; T83-I85 WeakPolarHBondContact O-CG1 3.43Å; T83-I85 PolarHBondContact O-N 2.86Å |
| 84 | D | 67.1 | Low | 69.5 | Low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | | | trans | -63.8 | 87.9 | 165.3 | 178.7 | 39.1 | 0 | 0 | 0 | 107.4 | K86 | D84-K86 PolarHBondContact O-N 2.79Å; D84-K86 WeakPolarHBondContact OD2-CE 3.47Å; D84-K86 IonicContact OD2-NZ 2.75Å; D84-K86 PolarHBondContact OD2-NZ 3.23Å |
| 85 | I | 65.6 | Low | 70 | Confident | 135 Ų | 135 | 134.9 Ų | 134.9 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -70.3 | 97.1 | 179.1 | -56.5 | 170.1 | 0 | 0 | 0 | 106.3 | T83 K87 | T83-I85 WeakPolarHBondContact O-CG1 3.43Å; T83-I85 PolarHBondContact O-N 2.86Å; I85-K87 PolarHBondContact O-N 3.48Å; I85-K87 VanDerWaalsContact O-N 3.13Å |
| 86 | K | 69 | Low | 70.4 | Confident | 159 Ų | 159 | 137.1 Ų | 137.1 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | | | trans | -56.3 | 119.3 | 159.1 | -63.4 | -58.7 | -176.2 | -144.1 | 0 | 106.4 | D84 D88 | D84-K86 PolarHBondContact O-N 2.79Å; D84-K86 WeakPolarHBondContact OD2-CE 3.47Å; D84-K86 IonicContact OD2-NZ 2.75Å; D84-K86 PolarHBondContact OD2-NZ 3.23Å; K86-D88 VanDerWaalsContact C-N 3.34Å; K86-D88 PolarHBondContact O-N 3.25Å |
| 87 | K | 63.2 | Low | 71.1 | Confident | 169 Ų | 169 | 137.4 Ų | 137.4 | 74% | 0.735 | 75% | 0.75 | S | S | * | * | | | trans | -58.9 | 98.3 | 175.6 | -69.6 | -85.1 | -174.8 | 161.4 | 0 | 107.8 | I85 E89 | I85-K87 PolarHBondContact O-N 3.48Å; I85-K87 VanDerWaalsContact O-N 3.13Å; K87-E89 HydrophobicContact CB-CG 4.35Å; K87-E89 PolarHBondContact O-N 3.39Å |
| 88 | D | 64.9 | Low | 71.7 | Confident | 103 Ų | 103 | 135.4 Ų | 135.4 | 55% | 0.551 | 75% | 0.747 | S | S | * | * | | | trans | -74.3 | 87.9 | 164.1 | -167.1 | -86.6 | 0 | 0 | 0 | 105.7 | K86 D90 C91 | K86-D88 VanDerWaalsContact C-N 3.34Å; K86-D88 PolarHBondContact O-N 3.25Å; D88-D90 PolarHBondContact O-N 3.21Å; D88-D90 VanDerWaalsContact O-N 3.09Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 3.24Å; D88-C91 VanDerWaalsContact O-N 3.08Å; D88-C91 PolarHBondContact OD1-N 3.49Å; D88-C91 PolarHBondContact OD1-SG 3.48Å |
| 89 | E | 65 | Low | 72.5 | Confident | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -62.5 | -9.4 | 179.2 | -65.7 | -78.4 | 123.4 | 0 | 0 | 111.7 | K87 | K87-E89 HydrophobicContact CB-CG 4.35Å; K87-E89 PolarHBondContact O-N 3.39Å |
| 90 | D | 61.8 | Low | 73.3 | Confident | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -84.2 | -5.6 | 174 | -89.8 | -36.1 | 0 | 0 | 0 | 113.9 | D88 L92 | D88-D90 PolarHBondContact O-N 3.21Å; D88-D90 VanDerWaalsContact O-N 3.09Å; D90-L92 PolarHBondContact O-N 3.1Å; D90-L92 VanDerWaalsContact O-N 3.14Å |
| 91 | C | 63 | Low | 74 | Confident | 95 Ų | 95 | 133.6 Ų | 133.6 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -72 | 0.9 | 175 | -74.9 | 0 | 0 | 0 | 0 | 114.3 | D88 Q93 | D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 3.24Å; D88-C91 VanDerWaalsContact O-N 3.08Å; D88-C91 PolarHBondContact OD1-N 3.49Å; D88-C91 PolarHBondContact OD1-SG 3.48Å; C91-Q93 PolarHBondContact O-N 3.3Å |
| 92 | L | 67.3 | Low | 74.7 | Confident | 151 Ų | 151 | 130.8 Ų | 130.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | -77.4 | 59 | 172.5 | -58.8 | -176.5 | 0 | 0 | 0 | 110.8 | D90 T94 | D90-L92 PolarHBondContact O-N 3.1Å; D90-L92 VanDerWaalsContact O-N 3.14Å; L92-T94 PolarHBondContact O-N 3.04Å |
| 93 | Q | 76.1 | Confident | 75.7 | Confident | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.7 | 174 | -161.8 | 171.9 | 83.2 | 0 | 0 | 108.5 | C91 | C91-Q93 PolarHBondContact O-N 3.3Š|
| 94 | T | 80.8 | Confident | 76.5 | Confident | 122 Ų | 122 | 133.1 Ų | 133.1 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.2 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 109.1 | L92 | L92-T94 PolarHBondContact O-N 3.04Š|
| 95 | P | 81.8 | Confident | 77 | Confident | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 139.3 | 177.4 | -24.5 | 32.8 | 0 | 0 | 0 | 110.9 | | |
| 96 | P | 83.9 | Confident | 77.4 | Confident | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.9 | 178.5 | 25 | -33.2 | 0 | 0 | 0 | 110.8 | | |
| 97 | K | 90 | Very high | 77.7 | Confident | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.9 | 178.2 | -69.3 | -169.1 | 176.2 | 83.8 | 0 | 110.6 | | |
| 98 | P | 87.7 | Confident | 77.8 | Confident | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 155.8 | 174.3 | 28.3 | -34.7 | 0 | 0 | 0 | 111 | | |
| 99 | P | 88.8 | Confident | 77.8 | Confident | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 154.7 | 178.3 | 27.7 | -34.8 | 0 | 0 | 0 | 111.7 | | |
| 100 | P | 91.6 | Very high | 77.8 | Confident | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 145.7 | 176.6 | -21.5 | 32.6 | 0 | 0 | 0 | 112.7 | | |
| 101 | T | 87.3 | Confident | 77.7 | Confident | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 132.2 | 172.3 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 102 | P | 86.9 | Confident | 77.4 | Confident | 102 Ų | 102 | 132.6 Ų | 132.6 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 153.6 | 177.2 | 27.8 | -34.7 | 0 | 0 | 0 | 111.2 | S104 | P102-S104 PolarHBondContact O-N 3.36Š|
| 103 | P | 84.3 | Confident | 76.9 | Confident | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.6 | 177.2 | 26.3 | -33.6 | 0 | 0 | 0 | 110.4 | S105 | P103-S105 PolarHBondContact O-N 3.42Š|
| 104 | S | 81.3 | Confident | 75.7 | Confident | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 119.8 | 174.2 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | P102 S106 | P102-S104 PolarHBondContact O-N 3.36Å; S104-S106 PolarHBondContact O-N 3.17Å |
| 105 | S | 76.8 | Confident | 74.6 | Confident | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -74.6 | 103.4 | 172.4 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | P103 L107 | P103-S105 PolarHBondContact O-N 3.42Å; S105-L107 PolarHBondContact O-N 3.33Å |
| 106 | S | 75.3 | Confident | 72.9 | Confident | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | trans | -73.3 | 112.9 | 171.6 | -175.7 | 0 | 0 | 0 | 0 | 109 | S104 N108 | S104-S106 PolarHBondContact O-N 3.17Å; S106-N108 PolarHBondContact O-N 3.04Å |
| 107 | L | 74.9 | Confident | 71.4 | Confident | 148 Ų | 148 | 137.8 Ų | 137.8 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -74.4 | 94.9 | 176.3 | -168.4 | 73 | 0 | 0 | 0 | 109.1 | S105 K109 | S105-L107 PolarHBondContact O-N 3.33Å; L107-K109 PolarHBondContact O-N 3.05Å |
| 108 | N | 65.1 | Low | 69.4 | Low | 121 Ų | 121 | 134.2 Ų | 134.2 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | | | trans | -61.4 | 111.2 | 169.6 | -75.9 | -27.8 | 0 | 0 | 0 | 108.8 | S106 F110 | S106-N108 PolarHBondContact O-N 3.04Å; N108-F110 VanDerWaalsContact C-N 3.33Å; N108-F110 WeakPolarHBondContact O-CD2 3.5Å; N108-F110 PolarHBondContact O-N 2.94Å |
| 109 | K | 65.3 | Low | 67.5 | Low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -65.5 | 94.8 | 167.8 | -67.8 | -87.1 | -61.4 | -142 | 0 | 107.2 | L107 P111 | L107-K109 PolarHBondContact O-N 3.05Å; K109-P111 WeakPolarHBondContact O-CD 3.48Å |
| 110 | F | 65.2 | Low | 65.6 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | -57.5 | 127.2 | 166 | -70.4 | -85.9 | 0 | 0 | 0 | 107.9 | N108 S112 | N108-F110 VanDerWaalsContact C-N 3.33Å; N108-F110 WeakPolarHBondContact O-CD2 3.5Å; N108-F110 PolarHBondContact O-N 2.94Å; F110-S112 PolarHBondContact O-N 2.94Å |
| 111 | P | 58 | Low | 63.5 | Low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -64.2 | 107.1 | 168.8 | 23.7 | -27.3 | 0 | 0 | 0 | 106.7 | K109 H113 | K109-P111 WeakPolarHBondContact O-CD 3.48Å; P111-H113 PolarHBondContact O-N 2.99Å |
| 112 | S | 57.8 | Low | 61.7 | Low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -51.6 | 111.5 | 162.4 | 172.2 | 0 | 0 | 0 | 0 | 106.3 | F110 F114 | F110-S112 PolarHBondContact O-N 2.94Å; S112-F114 PolarHBondContact O-N 3.11Å |
| 113 | H | 56.5 | Low | 60.1 | Low | 180 Ų | 180 | 143 Ų | 143 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | | | trans | -65 | 81 | 166 | -94.3 | -16 | 0 | 0 | 0 | 107.5 | P111 N115 | P111-H113 PolarHBondContact O-N 2.99Å; H113-N115 PolarHBondContact O-N 3.47Å |
| 114 | F | 51.2 | Low | 58.6 | Low | 168 Ų | 168 | 141.2 Ų | 141.2 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | | | trans | -82.9 | 108.8 | 166.7 | -149.4 | -95.4 | 0 | 0 | 0 | 106.2 | S112 Q116 | S112-F114 PolarHBondContact O-N 3.11Å; F114-Q116 PolarHBondContact O-N 2.75Å; F114-Q116 VanDerWaalsContact O-N 3.11Å |
| 115 | N | 57.9 | Low | 57.2 | Low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | -50 | 115.5 | 177.2 | -68.7 | -76.1 | 0 | 0 | 0 | 110.3 | H113 | H113-N115 PolarHBondContact O-N 3.47Š|
| 116 | Q | 44.5 | Very low | 56.1 | Low | 152 Ų | 152 | 141.8 Ų | 141.8 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | trans | -129.2 | 93.8 | 165.2 | -70.4 | -91.4 | 98.9 | 0 | 0 | 106.9 | F114 T118 | F114-Q116 PolarHBondContact O-N 2.75Å; F114-Q116 VanDerWaalsContact O-N 3.11Å; Q116-T118 PolarHBondContact O-N 3.26Å; Q116-T118 PolarHBondContact O-OG1 3Å |
| 117 | V | 52.3 | Low | 55 | Low | 144 Ų | 144 | 145.4 Ų | 145.4 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | | | trans | -55.2 | 106.2 | 159 | 171.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 118 | T | 49.3 | Very low | 53.8 | Low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -101.8 | 116.5 | 175 | -44.3 | 0 | 0 | 0 | 0 | 106.6 | Q116 | Q116-T118 PolarHBondContact O-N 3.26Å; Q116-T118 PolarHBondContact O-OG1 3Å |
| 119 | E | 46.4 | Very low | 52.9 | Low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -58 | 136.7 | -178.1 | -66.4 | -150 | 126.8 | 0 | 0 | 112.1 | T121 | E119-T121 PolarHBondContact O-N 3.3Š|
| 120 | S | 48.9 | Very low | 52.2 | Low | 120 Ų | 120 | 148.5 Ų | 148.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -64.1 | 101.1 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | Y122 | S120-Y122 PolarHBondContact O-N 3.06Š|
| 121 | T | 48.1 | Very low | 51.6 | Low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -73.6 | 113.1 | 167.5 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | E119 | E119-T121 PolarHBondContact O-N 3.3Š|
| 122 | Y | 49 | Very low | 51.2 | Low | 205 Ų | 205 | 148.7 Ų | 148.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.1 | 174.7 | -166.7 | -95.5 | 0 | 0 | 0 | 110.5 | S120 | S120-Y122 PolarHBondContact O-N 3.06Š|
| 123 | L | 55 | Low | 50.8 | Low | 152 Ų | 152 | 151.7 Ų | 151.7 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 131.5 | 168.1 | -66.6 | -174.6 | 0 | 0 | 0 | 109.8 | | |
| 124 | P | 52.5 | Low | 50.4 | Low | 90 Ų | 90 | 149.9 Ų | 149.9 | 58% | 0.584 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 128.6 | 170.8 | 30.6 | -29.1 | 0 | 0 | 0 | 109.9 | H126 | P124-H126 PolarHBondContact O-N 3.31Š|
| 125 | A | 51.3 | Low | 50.4 | Low | 75 Ų | 75 | 148.7 Ų | 148.7 | 62% | 0.62 | 81% | 0.805 | S | S | * | * | | | trans | -68.3 | 115.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | H127 | A125-H127 PolarHBondContact O-N 3.45Å; A125-H127 PolarHBondContact O-ND1 3.26Å |
| 126 | H | 52.6 | Low | 49.9 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -77.1 | 103.8 | 164.1 | -69.7 | -83.3 | 0 | 0 | 0 | 108.4 | P124 | P124-H126 PolarHBondContact O-N 3.31Š|
| 127 | H | 53.4 | Low | 50.3 | Low | 173 Ų | 173 | 148.4 Ų | 148.4 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | | | trans | -79.4 | 116.2 | 166.7 | -58.2 | 94.1 | 0 | 0 | 0 | 108 | A125 | A125-H127 PolarHBondContact O-N 3.45Å; A125-H127 PolarHBondContact O-ND1 3.26Å |
| 128 | T | 49.1 | Very low | 50.1 | Low | 139 Ų | 139 | 148.8 Ų | 148.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -85.6 | 126 | 165.4 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 129 | N | 45.7 | Very low | 50.2 | Low | 237 Ų | 237 | 151.1 Ų | 151.1 | 100% | 1.267 | 81% | 0.813 | S | S | * | * | | | trans | -141.4 | 0 | 154.6 | -154.4 | -20.2 | 0 | 0 | 0 | 107.8 | | |