| 1 | M | 54.7 | Low | 59.2 | Low | 247 Ų | 247 | 138.1 Ų | 138.1 | 100% | 1.217 | 86% | 0.856 | S | S | * | * | | | | 0 | 125.1 | 0 | -63.5 | -179.3 | 85.4 | 0 | 0 | 107.5 | | |
| 2 | S | 51.3 | Low | 58.6 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 90% | 0.902 | 86% | 0.858 | S | S | * | * | | | trans | -85 | 151.4 | -175.2 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 3 | G | 59.2 | Low | 59 | Low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 86% | 0.861 | S | S | * | * | | | trans | -175.6 | 89.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 4 | K | 56.1 | Low | 58.3 | Low | 221 Ų | 221 | 153.6 Ų | 153.6 | 96% | 0.961 | 86% | 0.859 | S | S | * | * | | | | 77.5 | 105 | 96.4 | -78 | -174.9 | 176.3 | -177.5 | 0 | 113.4 | | |
| 5 | A | 61.5 | Low | 58.4 | Low | 108 Ų | 108 | 156.1 Ų | 156.1 | 89% | 0.893 | 86% | 0.861 | S | S | * | * | | | trans | -107.5 | 137 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 6 | A | 66.8 | Low | 57.3 | Low | 107 Ų | 107 | 159.6 Ų | 159.6 | 88% | 0.884 | 87% | 0.865 | S | S | * | * | | | trans | -78.8 | 159.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 7 | S | 59.8 | Low | 56 | Low | 104 Ų | 104 | 154.4 Ų | 154.4 | 73% | 0.727 | 86% | 0.857 | S | S | * | * | | | trans | -97.4 | -177.3 | -168.3 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 8 | T | 58.4 | Low | 55.5 | Low | 114 Ų | 114 | 156.4 Ų | 156.4 | 70% | 0.699 | 86% | 0.859 | S | S | * | * | | | trans | 96.1 | 131.9 | 147.9 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 9 | V | 62.3 | Low | 54.7 | Low | 129 Ų | 129 | 157.1 Ų | 157.1 | 78% | 0.782 | 86% | 0.861 | S | S | * | * | | | cis | -159.1 | 153.7 | 15.7 | -112.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 10 | D | 52.8 | Low | 54.7 | Low | 157 Ų | 157 | 154.9 Ų | 154.9 | 84% | 0.84 | 86% | 0.857 | S | S | * | * | | | trans | -64.3 | 145.2 | 166.7 | -58.4 | -91.1 | 0 | 0 | 0 | 115.6 | | |
| 11 | V | 68 | Low | 54.2 | Low | 137 Ų | 137 | 153.3 Ų | 153.3 | 83% | 0.83 | 86% | 0.858 | S | S | * | * | | | trans | -139.5 | 119.6 | 151 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 12 | K | 52.2 | Low | 54 | Low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | | | trans | -88 | 130.4 | 179.7 | -174 | 162.8 | -177.8 | 167.2 | 0 | 110.5 | | |
| 13 | R | 63.4 | Low | 54 | Low | 238 Ų | 238 | 145.9 Ų | 145.9 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | trans | -143.9 | 139.3 | 161.1 | -160.4 | 172.3 | -76.7 | 167 | -3.5 | 112.1 | | |
| 14 | K | 50.3 | Low | 53.1 | Low | 191 Ų | 191 | 150.8 Ų | 150.8 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | | | trans | -112.4 | 138.1 | -160.1 | -176 | -165 | -170 | -174.2 | 0 | 109.6 | | |
| 15 | Q | 58.8 | Low | 53 | Low | 190 Ų | 190 | 145.1 Ų | 145.1 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -178.8 | 111 | 157 | -100.4 | 159.8 | 4.9 | 0 | 0 | 107.4 | | |
| 16 | K | 40.7 | Very low | 52.9 | Low | 213 Ų | 213 | 150.4 Ų | 150.4 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | | | | 85.2 | 111.5 | 63.7 | -155.6 | -171.8 | -170.1 | -167.6 | 0 | 112.8 | | |
| 17 | G | 35.8 | Very low | 52 | Low | 70 Ų | 70 | 152.8 Ų | 152.8 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | 91.5 | 135.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 18 | E | 47.1 | Very low | 52 | Low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | cis | -152.3 | 133.1 | 18.8 | -64 | 175.6 | 157.7 | 0 | 0 | 108.5 | | |
| 19 | D | 39.8 | Very low | 51.8 | Low | 169 Ų | 169 | 155.6 Ų | 155.6 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | | | trans | -73.9 | 129.4 | 174.7 | -66.1 | -55.1 | 0 | 0 | 0 | 110.4 | | |
| 20 | S | 54.9 | Low | 52.3 | Low | 113 Ų | 113 | 152.2 Ų | 152.2 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -162 | 82.5 | 148.9 | 30.9 | 0 | 0 | 0 | 0 | 109.8 | N22 | S20-N22 PolarHBondContact O-N 3.41Š|
| 21 | S | 43.4 | Very low | 53.1 | Low | 123 Ų | 123 | 150.5 Ų | 150.5 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -56 | 125.6 | 159.4 | 51.7 | 0 | 0 | 0 | 0 | 110 | | |
| 22 | N | 50.8 | Low | 53.1 | Low | 135 Ų | 135 | 149.5 Ų | 149.5 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -131.5 | 123.1 | 153.6 | -157.7 | -9.2 | 0 | 0 | 0 | 109.8 | S20 | S20-N22 PolarHBondContact O-N 3.41Š|
| 23 | A | 51.3 | Low | 54.2 | Low | 84 Ų | 84 | 148.8 Ų | 148.8 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | | | trans | -86.3 | 131 | -159.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A25 | A23-A25 PolarHBondContact O-N 3.47Š|
| 24 | E | 40.5 | Very low | 55 | Low | 169 Ų | 169 | 146.9 Ų | 146.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | 2 | 96.8 | 141.8 | -151.4 | 178.1 | 154.2 | 0 | 0 | 116.7 | | |
| 25 | A | 54.8 | Low | 56.4 | Low | 103 Ų | 103 | 144.8 Ų | 144.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 121.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A23 | A23-A25 PolarHBondContact O-N 3.47Š|
| 26 | R | 59.3 | Low | 57.5 | Low | 219 Ų | 219 | 147 Ų | 147 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.3 | -163.9 | -63.4 | 172.5 | 171.7 | -141.1 | -5 | 112.8 | | |
| 27 | E | 47.9 | Very low | 59.5 | Low | 156 Ų | 156 | 144.1 Ų | 144.1 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 118.3 | 179.5 | -179.4 | 169.1 | -168.8 | 0 | 0 | 111.7 | K29 | E27-K29 HydrophobicContact CG-CG 4.15Å; E27-K29 WeakPolarHBondContact OE1-CE 3.5Å; E27-K29 IonicContact OE1-NZ 3.9Å; E27-K29 PolarHBondContact OE1-NZ 3.42Å |
| 28 | A | 58.7 | Low | 61.6 | Low | 101 Ų | 101 | 147.4 Ų | 147.4 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -117.7 | 106 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | G30 | A28-G30 PolarHBondContact O-N 3.33Š|
| 29 | K | 55.5 | Low | 63.3 | Low | 177 Ų | 177 | 146.1 Ų | 146.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -82.5 | 98.2 | 178.1 | -68 | -76.9 | 175.6 | 176.4 | 0 | 110 | E27 | E27-K29 HydrophobicContact CG-CG 4.15Å; E27-K29 WeakPolarHBondContact OE1-CE 3.5Å; E27-K29 IonicContact OE1-NZ 3.9Å; E27-K29 PolarHBondContact OE1-NZ 3.42Å |
| 30 | G | 72.5 | Confident | 65.3 | Low | 58 Ų | 58 | 147.5 Ų | 147.5 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | -79.2 | 160.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A28 D32 | A28-G30 PolarHBondContact O-N 3.33Å; G30-D32 PolarHBondContact O-N 3.16Å |
| 31 | P | 68.6 | Low | 66.5 | Low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -67.2 | 120.4 | -177.4 | 27.2 | -33.3 | 0 | 0 | 0 | 111.4 | K33 | P31-K33 PolarHBondContact O-N 3.45Š|
| 32 | D | 69.7 | Low | 68.2 | Low | 115 Ų | 115 | 150.4 Ų | 150.4 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | | | trans | -77.2 | 86 | -172.5 | -154.6 | 14.6 | 0 | 0 | 0 | 110.8 | G30 R34 | G30-D32 PolarHBondContact O-N 3.16Å; D32-R34 VanDerWaalsContact C-N 3.33Å; D32-R34 PolarHBondContact O-N 2.98Å; D32-R34 IonicContact OD2-CZ 2.8Å; D32-R34 IonicContact OD2-NE 3.51Å; D32-R34 PolarHBondContact OD2-NE 2.98Å; D32-R34 IonicContact OD2-NH2 3.47Å; D32-R34 PolarHBondContact OD2-NH2 3.38Å |
| 33 | K | 75.1 | Confident | 69.5 | Low | 189 Ų | 189 | 148.3 Ų | 148.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -78.3 | 80.2 | 174.2 | -65.4 | -176.1 | -175.8 | 179.9 | 0 | 110.1 | P31 I35 | P31-K33 PolarHBondContact O-N 3.45Å; K33-I35 PolarHBondContact O-N 3.4Å |
| 34 | R | 79.5 | Confident | 70.6 | Confident | 197 Ų | 197 | 153.8 Ų | 153.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -81.3 | 107.6 | -176 | -139.3 | 179.6 | -71.2 | -179.1 | 0.1 | 111.6 | D32 | D32-R34 VanDerWaalsContact C-N 3.33Å; D32-R34 PolarHBondContact O-N 2.98Å; D32-R34 IonicContact OD2-CZ 2.8Å; D32-R34 IonicContact OD2-NE 3.51Å; D32-R34 PolarHBondContact OD2-NE 2.98Å; D32-R34 IonicContact OD2-NH2 3.47Å; D32-R34 PolarHBondContact OD2-NH2 3.38Å |
| 35 | I | 80.5 | Confident | 72.1 | Confident | 147 Ų | 147 | 151.1 Ų | 151.1 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -76.6 | 121.8 | 170.9 | -61.7 | 166.1 | 0 | 0 | 0 | 108.5 | K33 L37 | K33-I35 PolarHBondContact O-N 3.4Å; I35-L37 HydrophobicContact CG2-CG 4.42Å |
| 36 | R | 80.7 | Confident | 72.4 | Confident | 237 Ų | 237 | 154.2 Ų | 154.2 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | | | trans | -92.3 | 104 | 174 | -80.9 | -175.9 | 145.5 | -168.2 | -5.4 | 110.3 | | |
| 37 | L | 82.6 | Confident | 72.3 | Confident | 153 Ų | 153 | 151.6 Ų | 151.6 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 123.2 | 167.1 | -69.5 | 161.8 | 0 | 0 | 0 | 108.8 | I35 | I35-L37 HydrophobicContact CG2-CG 4.42Š|
| 38 | T | 80.2 | Confident | 72.9 | Confident | 138 Ų | 138 | 148.2 Ų | 148.2 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 117.8 | 170.1 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 39 | L | 83.2 | Confident | 72.8 | Confident | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -103 | 128.1 | 174.7 | -74.6 | 153.7 | 0 | 0 | 0 | 108.1 | | |
| 40 | K | 82.5 | Confident | 72.9 | Confident | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 141 | 170.5 | -66.8 | 176 | -179.3 | 175.2 | 0 | 108.9 | L42 | K40-L42 PolarHBondContact O-N 2.98Š|
| 41 | P | 80.1 | Confident | 72.1 | Confident | 130 Ų | 130 | 146.7 Ų | 146.7 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.1 | 178 | 26.4 | -32.6 | 0 | 0 | 0 | 110.6 | | |
| 42 | L | 78.2 | Confident | 71.5 | Confident | 168 Ų | 168 | 151.3 Ų | 151.3 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 129.9 | 169.8 | -173.1 | 61.6 | 0 | 0 | 0 | 108.5 | K40 K44 | K40-L42 PolarHBondContact O-N 2.98Å; L42-K44 PolarHBondContact O-N 3.45Å |
| 43 | A | 77.9 | Confident | 70.8 | Confident | 90 Ų | 90 | 155.2 Ų | 155.2 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 136.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 44 | K | 75.5 | Confident | 69.3 | Low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.5 | -178 | -63.2 | 177.7 | -177.8 | 177.6 | 0 | 109.8 | L42 | L42-K44 PolarHBondContact O-N 3.45Š|
| 45 | P | 71.9 | Confident | 67.6 | Low | 114 Ų | 114 | 148.5 Ų | 148.5 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64 | 144 | 162.7 | 27.7 | -31.1 | 0 | 0 | 0 | 109.2 | | |
| 46 | H | 60.5 | Low | 66 | Low | 167 Ų | 167 | 147 Ų | 147 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59 | 149.2 | 174.1 | 49.9 | -89 | 0 | 0 | 0 | 110.8 | A48 | H46-A48 PolarHBondContact O-N 3.45Å; H46-A48 VanDerWaalsContact O-N 3.1Å |
| 47 | D | 57.8 | Low | 64.6 | Low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -55.8 | 105.7 | -174.2 | -142.7 | -9.8 | 0 | 0 | 0 | 111.7 | | |
| 48 | A | 60.6 | Low | 63 | Low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | | | trans | -122.2 | 92.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | H46 | H46-A48 PolarHBondContact O-N 3.45Å; H46-A48 VanDerWaalsContact O-N 3.1Å |
| 49 | G | 55.9 | Low | 61.3 | Low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 7.5 | 106.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | A51 | G49-A51 PolarHBondContact O-N 3.23Š|
| 50 | V | 57.5 | Low | 59.5 | Low | 136 Ų | 136 | 135.3 Ų | 135.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 101 | 163.2 | 177.1 | 0 | 0 | 0 | 0 | 109 | R52 | V50-R52 PolarHBondContact O-N 2.94Š|
| 51 | A | 55 | Low | 58 | Low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -76.7 | 112.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | G49 Q53 | G49-A51 PolarHBondContact O-N 3.23Å; A51-Q53 PolarHBondContact O-N 3.1Å |
| 52 | R | 56.3 | Low | 56.6 | Low | 219 Ų | 219 | 134.7 Ų | 134.7 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -61.8 | 120.4 | 169.7 | -75.3 | 175.5 | 170.7 | 165.5 | -2.7 | 109.3 | V50 | V50-R52 PolarHBondContact O-N 2.94Š|
| 53 | Q | 56.4 | Low | 55.7 | Low | 196 Ų | 196 | 136.2 Ų | 136.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -103.2 | 94.8 | 158 | -144.8 | 174.2 | -6.8 | 0 | 0 | 107.3 | A51 | A51-Q53 PolarHBondContact O-N 3.1Š|
| 54 | E | 43.6 | Very low | 54.7 | Low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | -65.2 | 146.3 | 169.8 | -70.9 | -166.8 | 160.8 | 0 | 0 | 110.6 | | |
| 55 | G | 43.8 | Very low | 54.4 | Low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -68.1 | 130.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 56 | S | 46.2 | Very low | 54.5 | Low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -80.9 | 101.8 | 148.4 | 56.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 57 | S | 51.4 | Low | 54.8 | Low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 54.2 | 108.8 | 84.4 | -156.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 58 | V | 48.5 | Very low | 54.9 | Low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -1.9 | 146.9 | 161.2 | -60.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 59 | N | 44.9 | Very low | 54.9 | Low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 71.4 | 127.2 | 146.1 | -102.3 | -3.1 | 0 | 0 | 0 | 117.5 | | |
| 60 | A | 44 | Very low | 55.3 | Low | 71 Ų | 71 | 135.2 Ų | 135.2 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | | | trans | 84.6 | 148.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 61 | Q | 51.8 | Low | 55.6 | Low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | 80.5 | 90.4 | 147.4 | -65.1 | 147.5 | 1.4 | 0 | 0 | 115.2 | | |
| 62 | N | 51.1 | Low | 56.1 | Low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | | 42.3 | 97.6 | 122.5 | -56.4 | -18.2 | 0 | 0 | 0 | 114.3 | P64 | N62-P64 WeakPolarHBondContact O-CD 3.45Š|
| 63 | K | 58.3 | Low | 56.2 | Low | 200 Ų | 200 | 132.4 Ų | 132.4 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | | | trans | -74.6 | 111.6 | 156.6 | -72.3 | 174.4 | -166.9 | -86.4 | 0 | 107.3 | L65 | K63-L65 PolarHBondContact O-N 2.91Š|
| 64 | P | 57.6 | Low | 56 | Low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.1 | 153.4 | 31.5 | -30.1 | 0 | 0 | 0 | 106.9 | N62 | N62-P64 WeakPolarHBondContact O-CD 3.45Š|
| 65 | L | 68.7 | Low | 56.6 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149.3 | 169.6 | -71.9 | 157.4 | 0 | 0 | 0 | 109.4 | K63 | K63-L65 PolarHBondContact O-N 2.91Š|
| 66 | P | 74.4 | Confident | 57.1 | Low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 147.8 | 178.6 | 27.6 | -34.9 | 0 | 0 | 0 | 111.7 | | |
| 67 | P | 67 | Low | 57.5 | Low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -81 | 147.8 | -177.8 | 31.6 | -32.5 | 0 | 0 | 0 | 114.3 | | |
| 68 | K | 59.3 | Low | 57.9 | Low | 172 Ų | 172 | 130.7 Ų | 130.7 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | -15.7 | 163.1 | 169.5 | -56.2 | 177.2 | 179.6 | 176.9 | 0 | 120.1 | | |
| 69 | P | 60.9 | Low | 58.4 | Low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | -114.4 | 136.3 | 105.2 | 31.9 | -33.7 | 0 | 0 | 0 | 113.5 | I71 | P69-I71 HydrophobicContact CG-CD1 4.43Å; P69-I71 PolarHBondContact O-N 2.95Å |
| 70 | S | 64.7 | Low | 59.4 | Low | 69 Ų | 69 | 135.9 Ų | 135.9 | 48% | 0.483 | 76% | 0.759 | S | S | . | * | | | trans | -74.9 | 111.3 | -179.9 | -162.9 | 0 | 0 | 0 | 0 | 110 | | |
| 71 | I | 63.5 | Low | 60.6 | Low | 133 Ų | 133 | 141.4 Ų | 141.4 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | | | trans | -114.2 | -12 | -179.4 | -67.6 | 159.7 | 0 | 0 | 0 | 111.4 | P69 | P69-I71 HydrophobicContact CG-CD1 4.43Å; P69-I71 PolarHBondContact O-N 2.95Å |
| 72 | F | 66.4 | Low | 61.6 | Low | 189 Ų | 189 | 140.7 Ų | 140.7 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -129 | 112.5 | 178.2 | -63.9 | -79.8 | 0 | 0 | 0 | 109.3 | | |
| 73 | G | 57.1 | Low | 62.7 | Low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 27.6 | 110.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | S75 | G73-S75 PolarHBondContact O-N 3.1Š|
| 74 | D | 52.6 | Low | 63.8 | Low | 153 Ų | 153 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -64.5 | 85.3 | 158 | -76.3 | -28.4 | 0 | 0 | 0 | 109.6 | | |
| 75 | S | 55.5 | Low | 64.6 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | -160.7 | 76.2 | 170.9 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | G73 | G73-S75 PolarHBondContact O-N 3.1Š|
| 76 | S | 56 | Low | 64.7 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | | | trans | -168.9 | 101.4 | 138.7 | -152 | 0 | 0 | 0 | 0 | 108.4 | S78 | S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact O-N 3.32Å |
| 77 | D | 54.7 | Low | 64.3 | Low | 160 Ų | 160 | 127.8 Ų | 127.8 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | | | trans | -43.2 | 104.7 | 142.8 | -171.6 | 23.1 | 0 | 0 | 0 | 107.8 | | |
| 78 | S | 58 | Low | 64.4 | Low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | | | trans | -131.9 | 94.1 | 179.6 | -167.4 | 0 | 0 | 0 | 0 | 105.6 | S76 K80 | S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact O-N 3.32Å; S78-K80 PolarHBondContact O-N 3.48Å |
| 79 | E | 59.9 | Low | 64.8 | Low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | | | trans | -38.3 | 130.8 | 172.6 | -66.1 | -174.2 | 147.6 | 0 | 0 | 110.3 | E81 | E79-E81 PolarHBondContact O-N 2.8Š|
| 80 | K | 66.3 | Low | 65.3 | Low | 207 Ų | 207 | 134 Ų | 134 | 90% | 0.9 | 70% | 0.7 | S | S | * | * | | | trans | -64.7 | 104.9 | 175.8 | -72.6 | 175.1 | -176.4 | 165.1 | 0 | 108 | S78 E82 | S78-K80 PolarHBondContact O-N 3.48Å; K80-E82 PolarHBondContact O-N 3.34Å; K80-E82 VanDerWaalsContact O-N 3.15Å |
| 81 | E | 68.7 | Low | 65.4 | Low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | | | trans | -50.5 | 121.8 | 169.7 | -72.4 | -179.7 | 168.1 | 0 | 0 | 109.8 | E79 M83 | E79-E81 PolarHBondContact O-N 2.8Å; E81-M83 PolarHBondContact O-N 3.4Å |
| 82 | E | 72.4 | Confident | 66 | Low | 149 Ų | 149 | 143.1 Ų | 143.1 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | | | trans | -68.9 | 113.7 | 177.4 | -176.1 | 80.4 | -115 | 0 | 0 | 108.3 | K80 R88 | K80-E82 PolarHBondContact O-N 3.34Å; K80-E82 VanDerWaalsContact O-N 3.15Å; E82-R88 IonicContact OE1-CZ 3.27Å; E82-R88 VanDerWaalsContact OE1-CZ 3.3Å; E82-R88 IonicContact OE1-NH1 2.73Å; E82-R88 PolarHBondContact OE1-NH1 3.45Å; E82-R88 IonicContact OE1-NH2 3.45Å; E82-R88 PolarHBondContact OE1-NH2 3.41Å |
| 83 | M | 75.7 | Confident | 66.3 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 54% | 0.537 | 72% | 0.72 | S | S | . | * | | | trans | -55.6 | 126.3 | 177.2 | -88.3 | -140.9 | 61.1 | 0 | 0 | 110.8 | E81 C87 R88 | E81-M83 PolarHBondContact O-N 3.4Å; M83-C87 HydrophobicContact CE-CB 3.27Å; M83-R88 PolarHBondContact O-NH1 3.05Å; M83-R88 VanDerWaalsContact O-NH1 3.13Å |
| 84 | P | 79.8 | Confident | 66.5 | Low | 64 Ų | 64 | 145 Ų | 145 | 42% | 0.416 | 73% | 0.726 | S | S | . | * | | | trans | -56.9 | 144.6 | -173.3 | 18.9 | -30.1 | 0 | 0 | 0 | 111.5 | E86 C87 R88 | P84-E86 WeakPolarHBondContact CB-OE2 3.07Å; P84-E86 PolarHBondContact O-N 3.43Å; P84-C87 HydrophobicContact CG-CB 4.34Å; P84-C87 WeakPolarHBondContact O-CB 3.38Å; P84-C87 PolarHBondContact O-N 3.23Å; P84-R88 PolarHBondContact O-N 3.23Å |
| 85 | P | 74.2 | Confident | 67.3 | Low | 74 Ų | 74 | 139.7 Ų | 139.7 | 48% | 0.481 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -59 | -32.5 | -173.3 | 23.5 | -32.6 | 0 | 0 | 0 | 112.3 | C87 R88 M89 | P85-C87 PolarHBondContact O-N 3.01Å; P85-R88 PolarHBondContact O-N 3.25Å; P85-M89 WeakPolarHBondContact O-CG 3.27Å; P85-M89 PolarHBondContact O-N 3.06Å |
| 86 | E | 71.7 | Confident | 68.3 | Low | 140 Ų | 140 | 143 Ų | 143 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -57.1 | -34.5 | 174.7 | -62.4 | 73.5 | -157.4 | 0 | 0 | 112 | P84 | P84-E86 WeakPolarHBondContact CB-OE2 3.07Å; P84-E86 PolarHBondContact O-N 3.43Å |
| 87 | C | 66.7 | Low | 69.2 | Low | 82 Ų | 82 | 145.1 Ų | 145.1 | 55% | 0.554 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -81.8 | -25.1 | 177.3 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | M83 P84 P85 | M83-C87 HydrophobicContact CE-CB 3.27Å; P84-C87 HydrophobicContact CG-CB 4.34Å; P84-C87 WeakPolarHBondContact O-CB 3.38Å; P84-C87 PolarHBondContact O-N 3.23Å; P85-C87 PolarHBondContact O-N 3.01Å |
| 88 | R | 68.8 | Low | 70.3 | Confident | 162 Ų | 162 | 141 Ų | 141 | 61% | 0.611 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75 | -31 | 170.8 | -95.6 | -175.7 | 177.5 | 104.1 | -17 | 112.3 | E82 M83 P84 P85 R90 | E82-R88 IonicContact OE1-CZ 3.27Å; E82-R88 VanDerWaalsContact OE1-CZ 3.3Å; E82-R88 IonicContact OE1-NH1 2.73Å; E82-R88 PolarHBondContact OE1-NH1 3.45Å; E82-R88 IonicContact OE1-NH2 3.45Å; E82-R88 PolarHBondContact OE1-NH2 3.41Å; M83-R88 PolarHBondContact O-NH1 3.05Å; M83-R88 VanDerWaalsContact O-NH1 3.13Å; P84-R88 PolarHBondContact O-N 3.23Å; P85-R88 PolarHBondContact O-N 3.25Å; R88-R90 PolarHBondContact O-N 2.96Å |
| 89 | M | 67.8 | Low | 71.4 | Confident | 146 Ų | 146 | 140.8 Ų | 140.8 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -73 | 69.1 | 174.8 | -66.5 | -174.6 | -165.4 | 0 | 0 | 110.7 | P85 M91 | P85-M89 WeakPolarHBondContact O-CG 3.27Å; P85-M89 PolarHBondContact O-N 3.06Å; M89-M91 PolarHBondContact O-N 3.49Å; M89-M91 VanDerWaalsContact O-N 3.17Å |
| 90 | R | 70.3 | Confident | 72.3 | Confident | 234 Ų | 234 | 134.9 Ų | 134.9 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.8 | 172 | -164.4 | 178.7 | -165.8 | 127.8 | 1.3 | 108.5 | R88 R92 | R88-R90 PolarHBondContact O-N 2.96Å; R90-R92 PolarHBondContact O-N 3.16Å |
| 91 | M | 67.1 | Low | 73 | Confident | 170 Ų | 170 | 130.1 Ų | 130.1 | 84% | 0.837 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 128.4 | 174.7 | -72.7 | 176.7 | 68.7 | 0 | 0 | 110 | M89 N93 | M89-M91 PolarHBondContact O-N 3.49Å; M89-M91 VanDerWaalsContact O-N 3.17Å; M91-N93 PolarHBondContact O-N 3.37Å |
| 92 | R | 75.7 | Confident | 73.5 | Confident | 224 Ų | 224 | 125.7 Ų | 125.7 | 85% | 0.845 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.9 | 166.9 | -64.9 | 178 | 108.4 | 121.7 | -1.5 | 106.9 | R90 L94 | R90-R92 PolarHBondContact O-N 3.16Å; R92-L94 HydrophobicContact CB-CD1 4.1Å; R92-L94 WeakPolarHBondContact O-CD1 3.3Å; R92-L94 PolarHBondContact O-N 3.47Å |
| 93 | N | 73.4 | Confident | 73.8 | Confident | 134 Ų | 134 | 119.9 Ų | 119.9 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | | | trans | -69.8 | 82.5 | 175.3 | -65.4 | -46 | 0 | 0 | 0 | 109.6 | M91 G95 R96 | M91-N93 PolarHBondContact O-N 3.37Å; N93-G95 PolarHBondContact O-N 3.06Å; N93-G95 VanDerWaalsContact O-N 3.16Å; N93-R96 PolarHBondContact O-N 3Å |
| 94 | L | 60.9 | Low | 73.9 | Confident | 163 Ų | 163 | 120.6 Ų | 120.6 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 106.4 | 162.6 | -81 | 76.5 | 0 | 0 | 0 | 106.1 | R92 | R92-L94 HydrophobicContact CB-CD1 4.1Å; R92-L94 WeakPolarHBondContact O-CD1 3.3Å; R92-L94 PolarHBondContact O-N 3.47Å |
| 95 | G | 70.4 | Confident | 73.8 | Confident | 42 Ų | 42 | 120.7 Ų | 120.7 | 43% | 0.433 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 141.6 | -16.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N93 D97 T98 | N93-G95 PolarHBondContact O-N 3.06Å; N93-G95 VanDerWaalsContact O-N 3.16Å; G95-D97 VanDerWaalsContact C-N 3.27Å; G95-D97 PolarHBondContact O-N 3.27Å; G95-T98 VanDerWaalsContact CA-OG1 3.31Å; G95-T98 WeakPolarHBondContact CA-OG1 3.36Å; G95-T98 PolarHBondContact O-N 3.19Å |
| 96 | R | 75 | Confident | 74.1 | Confident | 180 Ų | 180 | 117.4 Ų | 117.4 | 68% | 0.679 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -25.4 | -174.4 | -171.6 | 157.9 | 179.6 | 87.1 | -1.6 | 114.2 | N93 N105 | N93-R96 PolarHBondContact O-N 3Å; R96-N105 PolarHBondContact O-ND2 3.19Å |
| 97 | D | 75.5 | Confident | 74.2 | Confident | 146 Ų | 146 | 118.3 Ų | 118.3 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 5.7 | 177.5 | -55.5 | -48.2 | 0 | 0 | 0 | 112.1 | G95 | G95-D97 VanDerWaalsContact C-N 3.27Å; G95-D97 PolarHBondContact O-N 3.27Å |
| 98 | T | 78 | Confident | 74.5 | Confident | 74 Ų | 74 | 118.4 Ų | 118.4 | 45% | 0.454 | 62% | 0.615 | S | S | . | * | | | trans | -66.1 | 127.7 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | G95 T100 | G95-T98 VanDerWaalsContact CA-OG1 3.31Å; G95-T98 WeakPolarHBondContact CA-OG1 3.36Å; G95-T98 PolarHBondContact O-N 3.19Å; T98-T100 PolarHBondContact O-N 3.09Å |
| 99 | P | 81.5 | Confident | 74.9 | Confident | 94 Ų | 94 | 113.9 Ų | 113.9 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | | | trans | -63.1 | 122.9 | 172.7 | 26.9 | -33.4 | 0 | 0 | 0 | 108.2 | N105 | P99-N105 WeakPolarHBondContact CA-O 3.33Š|
| 100 | T | 78.4 | Confident | 75.4 | Confident | 50 Ų | 50 | 109.3 Ų | 109.3 | 31% | 0.307 | 59% | 0.59 | S | S | . | * | B | Isolated β-bridge | trans | -105.7 | 159.3 | -179.2 | 46.6 | 0 | 0 | 0 | 0 | 109.1 | T98 S102 N105 S106 F107 | T98-T100 PolarHBondContact O-N 3.09Å; T100-S102 VanDerWaalsContact CB-O 3.29Å; T100-S102 WeakPolarHBondContact CB-O 3.45Å; T100-S102 PolarHBondContact OG1-O 3.12Å; T100-S102 VanDerWaalsContact OG1-O 3.05Å; T100-N105 PolarHBondContact N-O 2.87Å; T100-N105 PolarHBondContact OG1-O 2.9Å; T100-S106 CarbonylContact O-C 3.34Å; T100-S106 WeakPolarHBondContact O-CA 3.18Å; T100-F107 PolarHBondContact O-N 3.33Å |
| 101 | S | 81 | Confident | 75.7 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -71 | -26.4 | 166.8 | 57 | 0 | 0 | 0 | 0 | 111.1 | | |
| 102 | S | 78.6 | Confident | 76.3 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 67% | 0.671 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -144.1 | 136 | -177.6 | -69.7 | 0 | 0 | 0 | 0 | 110.8 | T100 | T100-S102 VanDerWaalsContact CB-O 3.29Å; T100-S102 WeakPolarHBondContact CB-O 3.45Å; T100-S102 PolarHBondContact OG1-O 3.12Å; T100-S102 VanDerWaalsContact OG1-O 3.05Å |
| 103 | G | 78.4 | Confident | 76.6 | Confident | 27 Ų | 27 | 95.7 Ų | 95.7 | 28% | 0.278 | 55% | 0.547 | S | S | . | . | S | Bend | trans | 132.6 | -174.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N105 S106 | G103-N105 PolarHBondContact O-N 2.73Å; G103-S106 WeakPolarHBondContact O-CB 3.5Å; G103-S106 PolarHBondContact O-N 3.35Å; G103-S106 VanDerWaalsContact O-N 3.12Å; G103-S106 PolarHBondContact O-OG 2.94Å |
| 104 | P | 79.3 | Confident | 77 | Confident | 124 Ų | 124 | 97 Ų | 97 | 81% | 0.805 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.5 | 176.7 | -26.2 | 36 | 0 | 0 | 0 | 113.9 | | |
| 105 | N | 77.2 | Confident | 77.9 | Confident | 65 Ų | 65 | 93.1 Ų | 93.1 | 35% | 0.348 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 33.2 | 177 | -50.9 | -31 | 0 | 0 | 0 | 111.7 | R96 P99 T100 G103 | R96-N105 PolarHBondContact O-ND2 3.19Å; P99-N105 WeakPolarHBondContact CA-O 3.33Å; T100-N105 PolarHBondContact N-O 2.87Å; T100-N105 PolarHBondContact OG1-O 2.9Å; G103-N105 PolarHBondContact O-N 2.73Å |
| 106 | S | 81 | Confident | 78.6 | Confident | 6 Ų | 6 | 95 Ų | 95 | 4% | 0.042 | 53% | 0.526 | C | S | . | . | B | Isolated β-bridge | trans | -67.8 | 144.4 | -177.1 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | T100 G103 S108 K109 | T100-S106 CarbonylContact O-C 3.34Å; T100-S106 WeakPolarHBondContact O-CA 3.18Å; G103-S106 WeakPolarHBondContact O-CB 3.5Å; G103-S106 PolarHBondContact O-N 3.35Å; G103-S106 VanDerWaalsContact O-N 3.12Å; G103-S106 PolarHBondContact O-OG 2.94Å; S106-S108 PolarHBondContact O-N 3.27Å; S106-K109 PolarHBondContact O-N 3.33Å; S106-K109 WeakPolarHBondContact OG-CB 3.07Å; S106-K109 WeakPolarHBondContact OG-CD 3.29Å; S106-K109 WeakPolarHBondContact OG-CE 3.2Å; S106-K109 WeakPolarHBondContact OG-CG 3.5Å; S106-K109 PolarHBondContact OG-N 3.04Å |
| 107 | F | 73.1 | Confident | 79.1 | Confident | 159 Ų | 159 | 90.9 Ų | 90.9 | 70% | 0.697 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -26.2 | 175.2 | -174.4 | -98.9 | 0 | 0 | 0 | 113.2 | T100 | T100-F107 PolarHBondContact O-N 3.33Š|
| 108 | S | 72.7 | Confident | 79.6 | Confident | 84 Ų | 84 | 92.7 Ų | 92.7 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 6.4 | -179.4 | -46.7 | 0 | 0 | 0 | 0 | 114.7 | S106 | S106-S108 PolarHBondContact O-N 3.27Š|
| 109 | K | 78 | Confident | 80.2 | Confident | 67 Ų | 67 | 95.4 Ų | 95.4 | 29% | 0.291 | 53% | 0.526 | S | S | . | . | | | trans | -132.7 | 128.4 | 177.9 | -62.4 | 172 | -159.3 | -169.2 | 0 | 110.2 | S106 G113 F114 | S106-K109 PolarHBondContact O-N 3.33Å; S106-K109 WeakPolarHBondContact OG-CB 3.07Å; S106-K109 WeakPolarHBondContact OG-CD 3.29Å; S106-K109 WeakPolarHBondContact OG-CE 3.2Å; S106-K109 WeakPolarHBondContact OG-CG 3.5Å; S106-K109 PolarHBondContact OG-N 3.04Å; K109-G113 VanDerWaalsContact CA-O 3.29Å; K109-G113 WeakPolarHBondContact CA-O 3.49Å; K109-G113 WeakPolarHBondContact CB-O 3.42Å; K109-F114 HydrophobicContact CD-CD1 4.37Å; K109-F114 HydrophobicContact CD-CD2 4.23Å; K109-F114 HydrophobicContact CD-CE1 4.27Å; K109-F114 HydrophobicContact CD-CE2 4.14Å; K109-F114 HydrophobicContact CD-CG 4.4Å; K109-F114 HydrophobicContact CD-CZ 4.21Å; K109-F114 HydrophobicContact CG-CD1 3.74Å; K109-F114 HydrophobicContact CG-CD2 4.31Å; K109-F114 HydrophobicContact CG-CE1 3.96Å; K109-F114 HydrophobicContact CG-CG 3.97Å; K109-F114 HydrophobicContact CG-CZ 4.4Å; K109-F114 VanDerWaalsContact NZ-CE2 3.26Å |
| 110 | G | 77 | Confident | 80.5 | Confident | 50 Ų | 50 | 94.3 Ų | 94.3 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -81.2 | -173.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H112 G113 | G110-H112 PolarHBondContact O-N 3.25Å; G110-G113 PolarHBondContact N-O 2.9Å; G110-G113 PolarHBondContact O-N 3.12Å |
| 111 | K | 77.6 | Confident | 80.9 | Confident | 188 Ų | 188 | 94.7 Ų | 94.7 | 82% | 0.817 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.6 | -33.4 | 167.4 | 160 | 179.2 | -177.8 | -96.8 | 0 | 114.7 | | |
| 112 | H | 79.2 | Confident | 81.5 | Confident | 129 Ų | 129 | 94 Ų | 94 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 14.8 | -173 | -54.2 | 89.3 | 0 | 0 | 0 | 113.2 | G110 I115 | G110-H112 PolarHBondContact O-N 3.25Å; H112-I115 HydrophobicContact CB-CD1 3.42Å; H112-I115 VanDerWaalsContact CB-CD1 3.42Å; H112-I115 HydrophobicContact CB-CG1 4.27Å |
| 113 | G | 81.6 | Confident | 82.1 | Confident | 25 Ų | 25 | 97.9 Ų | 97.9 | 26% | 0.258 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | 82.8 | -143.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K109 G110 I115 | K109-G113 VanDerWaalsContact CA-O 3.29Å; K109-G113 WeakPolarHBondContact CA-O 3.49Å; K109-G113 WeakPolarHBondContact CB-O 3.42Å; G110-G113 PolarHBondContact N-O 2.9Å; G110-G113 PolarHBondContact O-N 3.12Å; G113-I115 PolarHBondContact O-N 3.26Å |
| 114 | F | 81.9 | Confident | 82.6 | Confident | 160 Ų | 160 | 102.1 Ų | 102.1 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -81.2 | 96.3 | -179.8 | -64.5 | -78.5 | 0 | 0 | 0 | 110.3 | K109 | K109-F114 HydrophobicContact CD-CD1 4.37Å; K109-F114 HydrophobicContact CD-CD2 4.23Å; K109-F114 HydrophobicContact CD-CE1 4.27Å; K109-F114 HydrophobicContact CD-CE2 4.14Å; K109-F114 HydrophobicContact CD-CG 4.4Å; K109-F114 HydrophobicContact CD-CZ 4.21Å; K109-F114 HydrophobicContact CG-CD1 3.74Å; K109-F114 HydrophobicContact CG-CD2 4.31Å; K109-F114 HydrophobicContact CG-CE1 3.96Å; K109-F114 HydrophobicContact CG-CG 3.97Å; K109-F114 HydrophobicContact CG-CZ 4.4Å; K109-F114 VanDerWaalsContact NZ-CE2 3.26Å |
| 115 | I | 81.3 | Confident | 83.2 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | | | trans | -119.3 | 134.4 | 171.7 | -60.3 | -173.6 | 0 | 0 | 0 | 108.2 | H112 G113 S117 L120 | H112-I115 HydrophobicContact CB-CD1 3.42Å; H112-I115 VanDerWaalsContact CB-CD1 3.42Å; H112-I115 HydrophobicContact CB-CG1 4.27Å; G113-I115 PolarHBondContact O-N 3.26Å; I115-S117 PolarHBondContact O-N 3.04Å; I115-S117 VanDerWaalsContact O-N 3.12Å; I115-L120 HydrophobicContact CG2-CB 4.13Å; I115-L120 HydrophobicContact CG2-CD2 4.32Å |
| 116 | D | 85.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | | | trans | -71 | 104.8 | 166.9 | -171.8 | -21.5 | 0 | 0 | 0 | 108.9 | R118 K119 L120 | D116-R118 PolarHBondContact O-N 3.35Å; D116-R118 WeakPolarHBondContact OD1-CB 3.34Å; D116-R118 PolarHBondContact OD1-N 2.91Å; D116-R118 IonicContact OD1-NE 3.3Å; D116-R118 IonicContact OD2-NE 2.74Å; D116-R118 IonicContact OD2-NH2 2.97Å; D116-R118 PolarHBondContact OD2-NH2 2.77Å; D116-K119 HydrophobicContact CB-CB 4.12Å; D116-K119 PolarHBondContact O-N 2.96Å; D116-K119 VanDerWaalsContact O-N 3.09Å; D116-L120 PolarHBondContact O-N 3.27Å |
| 117 | S | 84.2 | Confident | 84.3 | Confident | 95 Ų | 95 | 108.5 Ų | 108.5 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -54.4 | -34.8 | -179.6 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | I115 L120 A121 | I115-S117 PolarHBondContact O-N 3.04Å; I115-S117 VanDerWaalsContact O-N 3.12Å; S117-L120 PolarHBondContact O-N 3.48Å; S117-A121 PolarHBondContact O-N 3.05Å |
| 118 | R | 87.4 | Confident | 85 | Confident | 183 Ų | 183 | 107.2 Ų | 107.2 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 178.9 | -61.8 | 177.8 | -64.9 | 177.8 | 2.6 | 110.3 | D116 L120 A121 E122 | D116-R118 PolarHBondContact O-N 3.35Å; D116-R118 WeakPolarHBondContact OD1-CB 3.34Å; D116-R118 PolarHBondContact OD1-N 2.91Å; D116-R118 IonicContact OD1-NE 3.3Å; D116-R118 IonicContact OD2-NE 2.74Å; D116-R118 IonicContact OD2-NH2 2.97Å; D116-R118 PolarHBondContact OD2-NH2 2.77Å; R118-L120 VanDerWaalsContact C-N 3.29Å; R118-L120 PolarHBondContact O-N 2.63Å; R118-A121 WeakPolarHBondContact O-CB 3.29Å; R118-A121 PolarHBondContact O-N 3.19Å; R118-A121 VanDerWaalsContact O-N 3.16Å; R118-E122 PolarHBondContact O-N 3.46Å |
| 119 | K | 90.3 | Very high | 85.7 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.2 | -35.1 | -179.4 | -165 | 59.2 | 178.8 | 176 | 0 | 112.4 | D116 E122 R123 | D116-K119 HydrophobicContact CB-CB 4.12Å; D116-K119 PolarHBondContact O-N 2.96Å; D116-K119 VanDerWaalsContact O-N 3.09Å; K119-E122 VanDerWaalsContact CD-OE2 3.27Å; K119-E122 WeakPolarHBondContact CD-OE2 3.09Å; K119-E122 IonicContact NZ-OE2 3.33Å; K119-E122 PolarHBondContact NZ-OE2 3.29Å; K119-R123 WeakPolarHBondContact O-CB 2.68Å; K119-R123 PolarHBondContact O-N 3.34Å |
| 120 | L | 86.4 | Confident | 86 | Confident | 72 Ų | 72 | 112.4 Ų | 112.4 | 38% | 0.377 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -40.9 | 174.6 | -174.1 | 66 | 0 | 0 | 0 | 111.7 | I115 D116 S117 R118 R123 K124 | I115-L120 HydrophobicContact CG2-CB 4.13Å; I115-L120 HydrophobicContact CG2-CD2 4.32Å; D116-L120 PolarHBondContact O-N 3.27Å; S117-L120 PolarHBondContact O-N 3.48Å; R118-L120 VanDerWaalsContact C-N 3.29Å; R118-L120 PolarHBondContact O-N 2.63Å; L120-R123 PolarHBondContact O-N 3.39Å; L120-K124 WeakPolarHBondContact O-CG 3.02Å; L120-K124 PolarHBondContact O-N 3.28Å |
| 121 | A | 87.6 | Confident | 86 | Confident | 57 Ų | 57 | 116.5 Ų | 116.5 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S117 R118 R123 K124 L125 | S117-A121 PolarHBondContact O-N 3.05Å; R118-A121 WeakPolarHBondContact O-CB 3.29Å; R118-A121 PolarHBondContact O-N 3.19Å; R118-A121 VanDerWaalsContact O-N 3.16Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-R123 PolarHBondContact O-N 3.41Å; A121-K124 PolarHBondContact O-N 3.47Å; A121-L125 PolarHBondContact O-N 3.22Å |
| 122 | E | 93.5 | Very high | 85.6 | Confident | 94 Ų | 94 | 110.7 Ų | 110.7 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -55.7 | -47.9 | 174.2 | -71.3 | 171.4 | -162.2 | 0 | 0 | 111.8 | R118 K119 K124 L125 H126 | R118-E122 PolarHBondContact O-N 3.46Å; K119-E122 VanDerWaalsContact CD-OE2 3.27Å; K119-E122 WeakPolarHBondContact CD-OE2 3.09Å; K119-E122 IonicContact NZ-OE2 3.33Å; K119-E122 PolarHBondContact NZ-OE2 3.29Å; E122-K124 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 3.17Å; E122-L125 PolarHBondContact O-N 2.8Å; E122-H126 PolarHBondContact O-CD2 2.97Å; E122-H126 PolarHBondContact O-N 3.03Å |
| 123 | R | 90.7 | Very high | 84.7 | Confident | 176 Ų | 176 | 111.8 Ų | 111.8 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.6 | -42.2 | 179.5 | -177.5 | 177.8 | 168 | 167.9 | -2.3 | 111.6 | K119 L120 A121 H126 M127 | K119-R123 WeakPolarHBondContact O-CB 2.68Å; K119-R123 PolarHBondContact O-N 3.34Å; L120-R123 PolarHBondContact O-N 3.39Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-R123 PolarHBondContact O-N 3.41Å; R123-H126 PolarHBondContact O-N 3.16Å; R123-M127 HydrophobicContact CG-CG 4.4Å; R123-M127 WeakPolarHBondContact O-CG 3.4Å; R123-M127 PolarHBondContact O-N 3.31Å |
| 124 | K | 89.8 | Confident | 83.1 | Confident | 117 Ų | 117 | 118.1 Ų | 118.1 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.5 | -44.4 | 176.3 | -75.7 | 178.1 | 177.4 | -175.2 | 0 | 111.4 | L120 A121 E122 M127 M128 | L120-K124 WeakPolarHBondContact O-CG 3.02Å; L120-K124 PolarHBondContact O-N 3.28Å; A121-K124 PolarHBondContact O-N 3.47Å; E122-K124 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 3.17Å; K124-M127 PolarHBondContact O-N 2.74Å; K124-M128 VanDerWaalsContact O-CG 3.3Å; K124-M128 WeakPolarHBondContact O-CG 3.34Å; K124-M128 PolarHBondContact O-N 2.93Å |
| 125 | L | 91.6 | Very high | 83.1 | Confident | 119 Ų | 119 | 116.1 Ų | 116.1 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 178.1 | -171.1 | 129.6 | 0 | 0 | 0 | 112 | A121 E122 M128 A129 | A121-L125 PolarHBondContact O-N 3.22Å; E122-L125 PolarHBondContact O-N 2.8Å; L125-M128 PolarHBondContact O-N 2.82Å; L125-A129 WeakPolarHBondContact O-CB 3.31Å; L125-A129 PolarHBondContact O-N 2.86Å |
| 126 | H | 89.9 | Confident | 83.2 | Confident | 139 Ų | 139 | 117.8 Ų | 117.8 | 64% | 0.644 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63 | -39.4 | 173.5 | -89.4 | -112.1 | 0 | 0 | 0 | 113 | E122 R123 R130 | E122-H126 PolarHBondContact O-CD2 2.97Å; E122-H126 PolarHBondContact O-N 3.03Å; R123-H126 PolarHBondContact O-N 3.16Å; H126-R130 WeakPolarHBondContact O-CB 3.48Å; H126-R130 PolarHBondContact O-N 3.2Å; H126-R130 VanDerWaalsContact O-N 3.1Å |
| 127 | M | 90.7 | Very high | 83.1 | Confident | 70 Ų | 70 | 119.9 Ų | 119.9 | 35% | 0.345 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.8 | -45.2 | 177.8 | -63.9 | -95.5 | 71.8 | 0 | 0 | 110.9 | R123 K124 A129 R130 E131 | R123-M127 HydrophobicContact CG-CG 4.4Å; R123-M127 WeakPolarHBondContact O-CG 3.4Å; R123-M127 PolarHBondContact O-N 3.31Å; K124-M127 PolarHBondContact O-N 2.74Å; M127-A129 VanDerWaalsContact C-N 3.35Å; M127-A129 PolarHBondContact O-N 3.13Å; M127-R130 PolarHBondContact O-N 3.04Å; M127-R130 VanDerWaalsContact O-N 3.16Å; M127-E131 WeakPolarHBondContact O-CG 3.44Å; M127-E131 PolarHBondContact O-N 3.35Å |
| 128 | M | 88.3 | Confident | 83.1 | Confident | 133 Ų | 133 | 121.4 Ų | 121.4 | 66% | 0.655 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61 | -42 | 175.8 | -69.4 | 169.6 | 178.4 | 0 | 0 | 112.2 | K124 L125 R130 E131 G132 | K124-M128 VanDerWaalsContact O-CG 3.3Å; K124-M128 WeakPolarHBondContact O-CG 3.34Å; K124-M128 PolarHBondContact O-N 2.93Å; L125-M128 PolarHBondContact O-N 2.82Å; M128-R130 VanDerWaalsContact C-N 3.27Å; M128-R130 PolarHBondContact O-N 3.38Å; M128-E131 PolarHBondContact O-N 2.96Å; M128-G132 PolarHBondContact O-N 3.17Å |
| 129 | A | 87.7 | Confident | 82.8 | Confident | 68 Ų | 68 | 117.5 Ų | 117.5 | 56% | 0.562 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -31.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L125 M127 | L125-A129 WeakPolarHBondContact O-CB 3.31Å; L125-A129 PolarHBondContact O-N 2.86Å; M127-A129 VanDerWaalsContact C-N 3.35Å; M127-A129 PolarHBondContact O-N 3.13Å |
| 130 | R | 83.5 | Confident | 82.3 | Confident | 191 Ų | 191 | 116.6 Ų | 116.6 | 72% | 0.721 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75 | -41.5 | 176 | -176.8 | -179.8 | 174.5 | -155.2 | -2.3 | 112.1 | H126 M127 M128 N133 | H126-R130 WeakPolarHBondContact O-CB 3.48Å; H126-R130 PolarHBondContact O-N 3.2Å; H126-R130 VanDerWaalsContact O-N 3.1Å; M127-R130 PolarHBondContact O-N 3.04Å; M127-R130 VanDerWaalsContact O-N 3.16Å; M128-R130 VanDerWaalsContact C-N 3.27Å; M128-R130 PolarHBondContact O-N 3.38Å; R130-N133 PolarHBondContact O-N 3.25Å |
| 131 | E | 77.4 | Confident | 82 | Confident | 136 Ų | 136 | 119.8 Ų | 119.8 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.8 | -26.3 | -179.5 | -70.8 | 173.3 | -177.6 | 0 | 0 | 112.7 | M127 M128 N133 S134 | M127-E131 WeakPolarHBondContact O-CG 3.44Å; M127-E131 PolarHBondContact O-N 3.35Å; M128-E131 PolarHBondContact O-N 2.96Å; E131-N133 PolarHBondContact O-N 3.15Å; E131-S134 PolarHBondContact O-OG 2.92Å |
| 132 | G | 68.9 | Low | 81.6 | Confident | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -0.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M128 | M128-G132 PolarHBondContact O-N 3.17Š|
| 133 | N | 60.1 | Low | 80.6 | Confident | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 26.9 | -175.4 | -147.5 | 38.1 | 0 | 0 | 0 | 113.2 | R130 E131 | R130-N133 PolarHBondContact O-N 3.25Å; E131-N133 PolarHBondContact O-N 3.15Å |
| 134 | S | 48.3 | Very low | 79.7 | Confident | 159 Ų | 159 | 122.7 Ų | 122.7 | 100% | 1.112 | 66% | 0.664 | S | S | * | * | | | trans | -130.9 | 0 | 171.8 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | E131 | E131-S134 PolarHBondContact O-OG 2.92Š|