| 1 | M | 54.7 | Low | 56.5 | Low | 244 Ų | 244 | 146.5 Ų | 146.5 | 100% | 1.202 | 84% | 0.835 | S | S | * | * | | | | 0 | 131.6 | 0 | -65.1 | -155.9 | -72 | 0 | 0 | 107.5 | | |
| 2 | G | 49.2 | Very low | 56.2 | Low | 84 Ų | 84 | 147.4 Ų | 147.4 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | trans | -60.8 | 153.9 | -154.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 3 | S | 59.1 | Low | 55.7 | Low | 125 Ų | 125 | 147 Ų | 147 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | | | trans | -118.7 | 109.2 | 155.7 | -179 | 0 | 0 | 0 | 0 | 107 | | |
| 4 | C | 61.5 | Low | 55.4 | Low | 123 Ų | 123 | 142.9 Ų | 142.9 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | trans | -56.5 | 142.9 | 179.9 | -82.3 | 0 | 0 | 0 | 0 | 112.6 | S6 | C4-S6 PolarHBondContact O-N 3.17Š|
| 5 | C | 55.5 | Low | 55.4 | Low | 125 Ų | 125 | 139.3 Ų | 139.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -50.3 | 111 | 164.1 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | K7 | C5-K7 PolarHBondContact O-N 3.48Š|
| 6 | S | 64.9 | Low | 55.3 | Low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -81.5 | 100.9 | 153.6 | 49.4 | 0 | 0 | 0 | 0 | 107.5 | C4 D8 | C4-S6 PolarHBondContact O-N 3.17Å; S6-D8 PolarHBondContact O-N 3.21Å |
| 7 | K | 56.7 | Low | 55 | Low | 173 Ų | 173 | 138.7 Ų | 138.7 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -75 | 101.4 | 160.2 | -81.7 | -174.7 | 174.4 | -173.8 | 0 | 107.1 | C5 | C5-K7 PolarHBondContact O-N 3.48Š|
| 8 | D | 55.8 | Low | 54.8 | Low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | trans | -100 | 88.3 | 159.4 | -77.7 | -53.1 | 0 | 0 | 0 | 107.7 | S6 K10 | S6-D8 PolarHBondContact O-N 3.21Å; D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact O-N 2.96Å; D8-K10 VanDerWaalsContact O-N 3.11Å |
| 9 | D | 51.8 | Low | 54.7 | Low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | -73.2 | 88 | 164 | -69 | -44.3 | 0 | 0 | 0 | 107.5 | | |
| 10 | K | 58.5 | Low | 54.9 | Low | 171 Ų | 171 | 132.2 Ų | 132.2 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -117.6 | 95.8 | 165.7 | -71.8 | -110.8 | 176 | 170.1 | 0 | 108.4 | D8 E12 | D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact O-N 2.96Å; D8-K10 VanDerWaalsContact O-N 3.11Å; K10-E12 PolarHBondContact O-N 3.29Å |
| 11 | E | 54.3 | Low | 55.2 | Low | 188 Ų | 188 | 133.8 Ų | 133.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -51.8 | 97.2 | 161.8 | -67.4 | 175.3 | 141 | 0 | 0 | 109.8 | | |
| 12 | E | 52.6 | Low | 55.7 | Low | 158 Ų | 158 | 130.6 Ų | 130.6 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | trans | -129.8 | 64.7 | 160.5 | -71.1 | -172.1 | -169.1 | 0 | 0 | 108.4 | K10 S14 | K10-E12 PolarHBondContact O-N 3.29Å; E12-S14 PolarHBondContact O-N 2.92Å |
| 13 | T | 49.6 | Very low | 56.7 | Low | 142 Ų | 142 | 136.6 Ų | 136.6 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | | | trans | -72.3 | 54.8 | 162.7 | -37.9 | 0 | 0 | 0 | 0 | 109.2 | A15 | T13-A15 PolarHBondContact O-N 3.23Å; T13-A15 VanDerWaalsContact O-N 3.17Å |
| 14 | S | 52.1 | Low | 56.9 | Low | 89 Ų | 89 | 137.2 Ų | 137.2 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | trans | -82 | 91.5 | 167.7 | 48.7 | 0 | 0 | 0 | 0 | 107 | E12 S16 | E12-S14 PolarHBondContact O-N 2.92Å; S14-S16 PolarHBondContact O-N 3.33Å |
| 15 | A | 55.3 | Low | 57.3 | Low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | | | trans | -60.7 | 85.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T13 L17 | T13-A15 PolarHBondContact O-N 3.23Å; T13-A15 VanDerWaalsContact O-N 3.17Å; A15-L17 PolarHBondContact O-N 2.86Å |
| 16 | S | 53.3 | Low | 57.7 | Low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | trans | -68 | 101.7 | 176 | -171.2 | 0 | 0 | 0 | 0 | 107.6 | S14 V18 | S14-S16 PolarHBondContact O-N 3.33Å; S16-V18 PolarHBondContact O-N 2.94Å; S16-V18 WeakPolarHBondContact OG-CG2 3.48Å |
| 17 | L | 50.8 | Low | 57.9 | Low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | | | trans | -68.6 | 62.4 | 168.9 | -69 | 169.9 | 0 | 0 | 0 | 109.1 | A15 S19 | A15-L17 PolarHBondContact O-N 2.86Å; L17-S19 PolarHBondContact O-N 3.4Å |
| 18 | V | 51.1 | Low | 58.5 | Low | 110 Ų | 110 | 145.1 Ų | 145.1 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | | | trans | -71.5 | 92.4 | 161 | -176.2 | 0 | 0 | 0 | 0 | 105.1 | S16 S20 | S16-V18 PolarHBondContact O-N 2.94Å; S16-V18 WeakPolarHBondContact OG-CG2 3.48Å; V18-S20 PolarHBondContact O-N 2.84Å |
| 19 | S | 53.6 | Low | 58.9 | Low | 95 Ų | 95 | 147.4 Ų | 147.4 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | trans | -52.8 | 86.3 | 160.3 | 171.9 | 0 | 0 | 0 | 0 | 107.5 | L17 E21 | L17-S19 PolarHBondContact O-N 3.4Å; S19-E21 PolarHBondContact O-N 2.93Å |
| 20 | S | 57.5 | Low | 59.3 | Low | 81 Ų | 81 | 145.9 Ų | 145.9 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | | | trans | -77.2 | 81 | 173.2 | 68.3 | 0 | 0 | 0 | 0 | 106.1 | V18 K22 | V18-S20 PolarHBondContact O-N 2.84Å; S20-K22 PolarHBondContact O-N 3.3Å |
| 21 | E | 61.4 | Low | 59.4 | Low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | | | trans | -71.5 | 62.6 | 173.2 | -153.1 | 160.1 | -157.4 | 0 | 0 | 108.5 | S19 R23 | S19-E21 PolarHBondContact O-N 2.93Å; E21-R23 PolarHBondContact O-N 2.79Å |
| 22 | K | 65.2 | Low | 59.5 | Low | 177 Ų | 177 | 146.3 Ų | 146.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -71.7 | 86.6 | 172.7 | -72.2 | -176.3 | -178.9 | 174.9 | 0 | 106.8 | S20 I24 | S20-K22 PolarHBondContact O-N 3.3Å; K22-I24 PolarHBondContact O-N 3.31Å |
| 23 | R | 69.7 | Low | 59.3 | Low | 211 Ų | 211 | 143.8 Ų | 143.8 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | -56 | 107.1 | 169.9 | -74.8 | 172.4 | 42.6 | -179.6 | -6.3 | 109.1 | E21 K25 | E21-R23 PolarHBondContact O-N 2.79Å; R23-K25 PolarHBondContact O-N 3.33Å |
| 24 | I | 64.8 | Low | 59.8 | Low | 137 Ų | 137 | 140 Ų | 140 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | | | trans | -62.9 | 109.7 | 169.9 | -58.7 | 171.6 | 0 | 0 | 0 | 106.7 | K22 F26 | K22-I24 PolarHBondContact O-N 3.31Å; I24-F26 PolarHBondContact O-N 2.91Å |
| 25 | K | 68.2 | Low | 59.7 | Low | 181 Ų | 181 | 143.8 Ų | 143.8 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | | | trans | -72.1 | 107.8 | 171.6 | -71.7 | -178.1 | -178.4 | 177.1 | 0 | 107.5 | R23 V27 | R23-K25 PolarHBondContact O-N 3.33Å; K25-V27 PolarHBondContact O-N 2.72Å |
| 26 | F | 64.6 | Low | 59.7 | Low | 191 Ų | 191 | 143.3 Ų | 143.3 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -65.5 | 102.5 | 169.9 | -71.4 | -86.2 | 0 | 0 | 0 | 109 | I24 K28 | I24-F26 PolarHBondContact O-N 2.91Å; F26-K28 PolarHBondContact O-N 3.03Å; F26-K28 VanDerWaalsContact O-N 3.08Å |
| 27 | V | 68.8 | Low | 60.1 | Low | 122 Ų | 122 | 143.6 Ų | 143.6 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | | | trans | -72.6 | 100.3 | 169.4 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | K25 K29 | K25-V27 PolarHBondContact O-N 2.72Å; V27-K29 VanDerWaalsContact C-N 3.31Å; V27-K29 HydrophobicContact CG1-CG 4.45Å; V27-K29 PolarHBondContact O-N 2.83Å |
| 28 | K | 69.4 | Low | 60.5 | Low | 197 Ų | 197 | 146 Ų | 146 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | | | trans | -68.1 | 88.8 | 174.4 | -166.2 | 175.2 | -175.6 | 178.7 | 0 | 108.4 | F26 S30 | F26-K28 PolarHBondContact O-N 3.03Å; F26-K28 VanDerWaalsContact O-N 3.08Å; K28-S30 PolarHBondContact O-N 2.68Å |
| 29 | K | 65.5 | Low | 61 | Low | 182 Ų | 182 | 150.5 Ų | 150.5 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -66.1 | 104.1 | 169.2 | -71.5 | -175.2 | 177.8 | 179.7 | 0 | 107.7 | V27 V31 | V27-K29 VanDerWaalsContact C-N 3.31Å; V27-K29 HydrophobicContact CG1-CG 4.45Å; V27-K29 PolarHBondContact O-N 2.83Å; K29-V31 PolarHBondContact O-N 2.9Å; K29-V31 VanDerWaalsContact O-N 3.13Å |
| 30 | S | 59.7 | Low | 61.3 | Low | 108 Ų | 108 | 153.7 Ų | 153.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -73.3 | 98.7 | 169.6 | 44.6 | 0 | 0 | 0 | 0 | 108.5 | K28 R32 | K28-S30 PolarHBondContact O-N 2.68Å; S30-R32 PolarHBondContact O-N 3.1Å |
| 31 | V | 60.6 | Low | 61.6 | Low | 123 Ų | 123 | 159 Ų | 159 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -68.7 | 112.4 | 165.4 | -179.7 | 0 | 0 | 0 | 0 | 106.1 | K29 C33 | K29-V31 PolarHBondContact O-N 2.9Å; K29-V31 VanDerWaalsContact O-N 3.13Å; V31-C33 PolarHBondContact O-N 2.93Å |
| 32 | R | 55.2 | Low | 62.1 | Low | 245 Ų | 245 | 155 Ų | 155 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -66.4 | 87.4 | 166.2 | -66.9 | -171 | -172.5 | -172.8 | 2.4 | 106.9 | S30 G34 | S30-R32 PolarHBondContact O-N 3.1Å; R32-G34 PolarHBondContact O-N 3.06Å |
| 33 | C | 50.3 | Low | 62.3 | Low | 105 Ų | 105 | 152.4 Ų | 152.4 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | | | trans | -75.9 | 107.2 | 172.2 | -153.2 | 0 | 0 | 0 | 0 | 105.7 | V31 D35 | V31-C33 PolarHBondContact O-N 2.93Å; C33-D35 PolarHBondContact O-N 2.89Å |
| 34 | G | 58.8 | Low | 62.4 | Low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | -50.3 | 124.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | R32 S36 | R32-G34 PolarHBondContact O-N 3.06Å; G34-S36 VanDerWaalsContact C-N 3.31Å; G34-S36 PolarHBondContact O-N 2.82Å |
| 35 | D | 49.6 | Very low | 62.3 | Low | 167 Ų | 167 | 147.9 Ų | 147.9 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -60.4 | 87.2 | -177.8 | -63.4 | -59.5 | 0 | 0 | 0 | 110.8 | C33 | C33-D35 PolarHBondContact O-N 2.89Š|
| 36 | S | 55.9 | Low | 62.2 | Low | 80 Ų | 80 | 145.2 Ų | 145.2 | 56% | 0.559 | 77% | 0.77 | S | S | * | * | | | trans | -138.2 | 103.5 | 153.9 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | G34 R38 | G34-S36 VanDerWaalsContact C-N 3.31Å; G34-S36 PolarHBondContact O-N 2.82Å; S36-R38 VanDerWaalsContact C-N 3.26Å; S36-R38 PolarHBondContact O-N 3.38Å |
| 37 | P | 61.2 | Low | 62.3 | Low | 102 Ų | 102 | 145 Ų | 145 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | trans | -62.7 | 94.7 | 170.1 | 23.1 | -29.1 | 0 | 0 | 0 | 108 | Y39 | P37-Y39 VanDerWaalsContact C-N 3.3Å; P37-Y39 HydrophobicContact CB-CE2 4.32Å; P37-Y39 HydrophobicContact CG-CE2 4.43Å; P37-Y39 WeakPolarHBondContact O-CD2 3.48Å; P37-Y39 PolarHBondContact O-N 3.14Å |
| 38 | R | 58.8 | Low | 61.9 | Low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -70.9 | 96 | 163.2 | -75.1 | -174.5 | -162.6 | 172.5 | 5.4 | 106.3 | S36 I40 | S36-R38 VanDerWaalsContact C-N 3.26Å; S36-R38 PolarHBondContact O-N 3.38Å; R38-I40 PolarHBondContact O-N 3.29Å |
| 39 | Y | 61.3 | Low | 61.4 | Low | 205 Ų | 205 | 140.4 Ų | 140.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -56.4 | 107 | 162.1 | -65.4 | -84.5 | 0 | 0 | 0 | 107.5 | P37 K41 | P37-Y39 VanDerWaalsContact C-N 3.3Å; P37-Y39 HydrophobicContact CB-CE2 4.32Å; P37-Y39 HydrophobicContact CG-CE2 4.43Å; P37-Y39 WeakPolarHBondContact O-CD2 3.48Å; P37-Y39 PolarHBondContact O-N 3.14Å; Y39-K41 PolarHBondContact O-N 3.41Å |
| 40 | I | 60.9 | Low | 61.4 | Low | 163 Ų | 163 | 140.2 Ų | 140.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -65.9 | 108.5 | 167.1 | -58.4 | 173.6 | 0 | 0 | 0 | 104.5 | R38 A42 | R38-I40 PolarHBondContact O-N 3.29Å; I40-A42 PolarHBondContact O-N 2.91Å |
| 41 | K | 63.4 | Low | 61.6 | Low | 191 Ų | 191 | 144.1 Ų | 144.1 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.1 | 173.1 | -73 | -178.5 | 179.7 | 179.5 | 0 | 107.5 | Y39 | Y39-K41 PolarHBondContact O-N 3.41Š|
| 42 | A | 72.1 | Confident | 61.8 | Low | 82 Ų | 82 | 146 Ų | 146 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 138.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I40 I44 | I40-A42 PolarHBondContact O-N 2.91Å; A42-I44 PolarHBondContact O-N 3.33Å; A42-I44 VanDerWaalsContact O-N 3.12Å |
| 43 | P | 70.5 | Confident | 62 | Low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 122.1 | 178.8 | 20.6 | -30.3 | 0 | 0 | 0 | 109.2 | P45 | P43-P45 WeakPolarHBondContact O-CD 3.5Š|
| 44 | I | 70.1 | Confident | 62 | Low | 150 Ų | 150 | 144.4 Ų | 144.4 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.5 | -179.7 | -59.6 | 168.1 | 0 | 0 | 0 | 106.7 | A42 | A42-I44 PolarHBondContact O-N 3.33Å; A42-I44 VanDerWaalsContact O-N 3.12Å |
| 45 | P | 63.1 | Low | 62 | Low | 102 Ų | 102 | 150.1 Ų | 150.1 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60 | 137.6 | 176.6 | 24.7 | -32.3 | 0 | 0 | 0 | 108.5 | P43 K47 | P43-P45 WeakPolarHBondContact O-CD 3.5Å; P45-K47 PolarHBondContact O-N 2.89Å |
| 46 | P | 66.8 | Low | 62.2 | Low | 126 Ų | 126 | 148.8 Ų | 148.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.8 | 179.7 | 23.1 | -31.9 | 0 | 0 | 0 | 107.9 | A48 | P46-A48 PolarHBondContact O-N 2.81Å; P46-A48 VanDerWaalsContact O-N 3.12Å |
| 47 | K | 67.1 | Low | 62.1 | Low | 187 Ų | 187 | 149.4 Ų | 149.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 126 | 171.8 | -80.2 | -179.6 | 177.4 | 177.6 | 0 | 106.5 | P45 V49 | P45-K47 PolarHBondContact O-N 2.89Å; K47-V49 VanDerWaalsContact C-N 3.26Å; K47-V49 WeakPolarHBondContact O-CG2 3.41Å; K47-V49 PolarHBondContact O-N 2.99Å |
| 48 | A | 59.6 | Low | 61.8 | Low | 99 Ų | 99 | 149.1 Ų | 149.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -51.7 | 98.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | P46 K50 | P46-A48 PolarHBondContact O-N 2.81Å; P46-A48 VanDerWaalsContact O-N 3.12Å; A48-K50 PolarHBondContact O-N 2.75Å |
| 49 | V | 59 | Low | 61.6 | Low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | trans | -65.4 | 108.6 | 174.5 | -180 | 0 | 0 | 0 | 0 | 102.7 | K47 Q51 | K47-V49 VanDerWaalsContact C-N 3.26Å; K47-V49 WeakPolarHBondContact O-CG2 3.41Å; K47-V49 PolarHBondContact O-N 2.99Å; V49-Q51 PolarHBondContact O-N 2.72Å |
| 50 | K | 65 | Low | 61.3 | Low | 179 Ų | 179 | 142.9 Ų | 142.9 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | trans | -46.1 | 117.1 | 170 | -75.2 | -176.2 | 177.8 | -178.5 | 0 | 105.3 | A48 F52 | A48-K50 PolarHBondContact O-N 2.75Å; K50-F52 VanDerWaalsContact O-CD2 3.25Å; K50-F52 WeakPolarHBondContact O-CD2 3.5Å; K50-F52 PolarHBondContact O-N 2.96Å |
| 51 | Q | 65.5 | Low | 61 | Low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -57.5 | 95.7 | 177.7 | -170.8 | 176.3 | 13.8 | 0 | 0 | 105.8 | V49 S53 | V49-Q51 PolarHBondContact O-N 2.72Å; Q51-S53 PolarHBondContact O-N 3.03Å |
| 52 | F | 63 | Low | 61 | Low | 163 Ų | 163 | 135.7 Ų | 135.7 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -62.1 | 110.1 | 170.4 | -79.4 | -85.6 | 0 | 0 | 0 | 103.7 | K50 W54 | K50-F52 VanDerWaalsContact O-CD2 3.25Å; K50-F52 WeakPolarHBondContact O-CD2 3.5Å; K50-F52 PolarHBondContact O-N 2.96Å; F52-W54 VanDerWaalsContact O-CD1 3.27Å; F52-W54 PolarHBondContact O-N 2.9Å |
| 53 | S | 60.3 | Low | 59.9 | Low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | -60.7 | 112.5 | 170.1 | 48.8 | 0 | 0 | 0 | 0 | 105.5 | Q51 K55 | Q51-S53 PolarHBondContact O-N 3.03Å; S53-K55 PolarHBondContact O-N 3.49Å |
| 54 | W | 50.9 | Low | 59.4 | Low | 221 Ų | 221 | 135.7 Ų | 135.7 | 84% | 0.837 | 75% | 0.746 | S | S | * | * | | | trans | -70.6 | 63.9 | 166.9 | -70.5 | 27.9 | 0 | 0 | 0 | 107 | F52 L56 | F52-W54 VanDerWaalsContact O-CD1 3.27Å; F52-W54 PolarHBondContact O-N 2.9Å; W54-L56 HydrophobicContact CE3-CD1 4Å; W54-L56 PolarHBondContact O-N 3Å |
| 55 | K | 58.4 | Low | 59 | Low | 184 Ų | 184 | 137.5 Ų | 137.5 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | -72.1 | 74.3 | 151.8 | -66.2 | -159 | 179.8 | -171.4 | 0 | 104.8 | S53 S57 | S53-K55 PolarHBondContact O-N 3.49Å; K55-S57 PolarHBondContact O-N 3.47Å |
| 56 | L | 54.3 | Low | 58.5 | Low | 140 Ų | 140 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | -58.2 | 94.8 | 158.1 | -83.9 | 160.2 | 0 | 0 | 0 | 104.2 | W54 A58 | W54-L56 HydrophobicContact CE3-CD1 4Å; W54-L56 PolarHBondContact O-N 3Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-A58 PolarHBondContact O-N 3.23Å |
| 57 | S | 53.9 | Low | 57.8 | Low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | trans | -54.1 | 109.5 | 161.5 | 47.8 | 0 | 0 | 0 | 0 | 104.9 | K55 T59 | K55-S57 PolarHBondContact O-N 3.47Å; S57-T59 WeakPolarHBondContact CB-OG1 3.25Å; S57-T59 PolarHBondContact O-N 2.94Å; S57-T59 PolarHBondContact O-OG1 2.95Å; S57-T59 VanDerWaalsContact O-OG1 3.1Å; S57-T59 PolarHBondContact OG-OG1 3Å; S57-T59 VanDerWaalsContact OG-OG1 3.06Å |
| 58 | A | 53.6 | Low | 57.3 | Low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | | | trans | -64.5 | 67.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107 | L56 K60 | L56-A58 VanDerWaalsContact C-N 3.32Å; L56-A58 PolarHBondContact O-N 3.23Å; A58-K60 PolarHBondContact O-N 2.92Å |
| 59 | T | 55.2 | Low | 57 | Low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | -70.7 | 94.9 | 173.5 | -26.4 | 0 | 0 | 0 | 0 | 103.2 | S57 P61 | S57-T59 WeakPolarHBondContact CB-OG1 3.25Å; S57-T59 PolarHBondContact O-N 2.94Å; S57-T59 PolarHBondContact O-OG1 2.95Å; S57-T59 VanDerWaalsContact O-OG1 3.1Å; S57-T59 PolarHBondContact OG-OG1 3Å; S57-T59 VanDerWaalsContact OG-OG1 3.06Å; T59-P61 VanDerWaalsContact O-N 3.14Å |
| 60 | K | 54.2 | Low | 56.9 | Low | 187 Ų | 187 | 141.7 Ų | 141.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -46.3 | 124 | 174.1 | -67.1 | 177.5 | -180 | 177.8 | 0 | 106.6 | A58 A62 | A58-K60 PolarHBondContact O-N 2.92Å; K60-A62 PolarHBondContact O-N 3Å |
| 61 | P | 56 | Low | 56.3 | Low | 101 Ų | 101 | 144.1 Ų | 144.1 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | trans | -60 | 113.3 | 179.1 | 22.8 | -31 | 0 | 0 | 0 | 107.3 | T59 N63 | T59-P61 VanDerWaalsContact O-N 3.14Å; P61-N63 PolarHBondContact O-N 3.12Å |
| 62 | A | 62.1 | Low | 55.7 | Low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -62.6 | -6.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K60 | K60-A62 PolarHBondContact O-N 3Š|
| 63 | N | 49.9 | Very low | 55.3 | Low | 101 Ų | 101 | 136.3 Ų | 136.3 | 54% | 0.54 | 75% | 0.746 | S | S | . | * | | | trans | -145.3 | 105.8 | 172.9 | -107.1 | -54.6 | 0 | 0 | 0 | 111.9 | P61 K65 L66 | P61-N63 PolarHBondContact O-N 3.12Å; N63-K65 PolarHBondContact O-N 2.95Å; N63-L66 PolarHBondContact O-N 3.12Å |
| 64 | P | 60.1 | Low | 55 | Low | 104 Ų | 104 | 136.9 Ų | 136.9 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -65.7 | -18.6 | 176.7 | 25.1 | -32.9 | 0 | 0 | 0 | 113 | L66 | P64-L66 VanDerWaalsContact C-N 3.28Å; P64-L66 PolarHBondContact O-N 2.72Å |
| 65 | K | 61.2 | Low | 55.3 | Low | 189 Ų | 189 | 131.9 Ų | 131.9 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -72.6 | -14.9 | -177.1 | -67.2 | -175.2 | 179.9 | 178.4 | 0 | 114.4 | N63 | N63-K65 PolarHBondContact O-N 2.95Š|
| 66 | L | 52.1 | Low | 55 | Low | 147 Ų | 147 | 134.8 Ų | 134.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -104 | 0.7 | -177.2 | -73.9 | 166.4 | 0 | 0 | 0 | 114.3 | N63 P64 K68 | N63-L66 PolarHBondContact O-N 3.12Å; P64-L66 VanDerWaalsContact C-N 3.28Å; P64-L66 PolarHBondContact O-N 2.72Å; L66-K68 PolarHBondContact O-N 3.25Å; L66-K68 VanDerWaalsContact O-N 3.17Å |
| 67 | A | 51.7 | Low | 54.8 | Low | 73 Ų | 73 | 133 Ų | 133 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | | | trans | -80 | 11.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 68 | K | 56.8 | Low | 54.2 | Low | 185 Ų | 185 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -102.7 | 87.9 | 175.5 | -63.5 | -177.9 | -178.8 | -177.4 | 0 | 108.9 | L66 | L66-K68 PolarHBondContact O-N 3.25Å; L66-K68 VanDerWaalsContact O-N 3.17Å |
| 69 | N | 54.5 | Low | 54.3 | Low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | | | trans | 168.7 | 40.6 | 153.1 | -90.9 | 0.5 | 0 | 0 | 0 | 114 | | |
| 70 | I | 57.1 | Low | 54.2 | Low | 159 Ų | 159 | 139.9 Ų | 139.9 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -110.4 | 4 | 170.6 | -43.2 | 179.7 | 0 | 0 | 0 | 112.1 | G72 | I70-G72 PolarHBondContact O-N 2.81Š|
| 71 | Y | 51.5 | Low | 53.9 | Low | 231 Ų | 231 | 140.2 Ų | 140.2 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -88.9 | 88.2 | 164 | -59.6 | -73 | 0 | 0 | 0 | 107.3 | | |
| 72 | G | 53.5 | Low | 53.6 | Low | 53 Ų | 53 | 145.1 Ų | 145.1 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | | | trans | -54.1 | 163 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I70 S74 | I70-G72 PolarHBondContact O-N 2.81Å; G72-S74 PolarHBondContact O-N 2.78Å |
| 73 | P | 54.8 | Low | 52.9 | Low | 135 Ų | 135 | 143.3 Ų | 143.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | -54.1 | 113.6 | -174.6 | 22.1 | -32.1 | 0 | 0 | 0 | 110 | | |
| 74 | S | 52.3 | Low | 53.1 | Low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -52.5 | 131.8 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | G72 R76 | G72-S74 PolarHBondContact O-N 2.78Å; S74-R76 PolarHBondContact O-N 3.01Å |
| 75 | P | 57.9 | Low | 52.5 | Low | 116 Ų | 116 | 145.7 Ų | 145.7 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -56.2 | 130.5 | -174 | 19.4 | -30 | 0 | 0 | 0 | 110.8 | S77 | P75-S77 PolarHBondContact O-N 2.95Š|
| 76 | R | 51.2 | Low | 51.6 | Low | 244 Ų | 244 | 144.4 Ų | 144.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -37.6 | 105.7 | 177 | -149.5 | 173 | -172.9 | -179.5 | 0.7 | 109.6 | S74 F78 | S74-R76 PolarHBondContact O-N 3.01Å; R76-F78 PolarHBondContact O-N 3.06Å |
| 77 | S | 51.1 | Low | 51.6 | Low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | -12.8 | 108.5 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 115 | P75 P79 | P75-S77 PolarHBondContact O-N 2.95Å; S77-P79 WeakPolarHBondContact O-CD 3.24Å |
| 78 | F | 41.6 | Very low | 51.2 | Low | 182 Ų | 182 | 143.6 Ų | 143.6 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | trans | -62.7 | 123.3 | 154.7 | -121.5 | -98.5 | 0 | 0 | 0 | 107.1 | R76 L80 | R76-F78 PolarHBondContact O-N 3.06Å; F78-L80 PolarHBondContact O-N 3.38Å |
| 79 | P | 54.4 | Low | 50.7 | Low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -74.8 | 81.1 | 174 | 30.1 | -29.6 | 0 | 0 | 0 | 107.8 | S77 E81 | S77-P79 WeakPolarHBondContact O-CD 3.24Å; P79-E81 PolarHBondContact O-N 2.97Å |
| 80 | L | 53.3 | Low | 50.7 | Low | 142 Ų | 142 | 139.2 Ų | 139.2 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -78.8 | 109.5 | 160.8 | -74.5 | 164.6 | 0 | 0 | 0 | 105.5 | F78 K82 | F78-L80 PolarHBondContact O-N 3.38Å; L80-K82 PolarHBondContact O-N 3.27Å |
| 81 | E | 49.1 | Very low | 50.3 | Low | 195 Ų | 195 | 140 Ų | 140 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -46.6 | 104 | 172.1 | -64.1 | -172 | 158.8 | 0 | 0 | 108.6 | P79 G83 | P79-E81 PolarHBondContact O-N 2.97Å; E81-G83 VanDerWaalsContact C-N 3.3Å; E81-G83 PolarHBondContact O-N 2.71Å |
| 82 | K | 48.6 | Very low | 50.4 | Low | 203 Ų | 203 | 131.3 Ų | 131.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -66.7 | 95.2 | 172.5 | -98.2 | -175 | 171.4 | -170.7 | 0 | 106.5 | L80 A84 | L80-K82 PolarHBondContact O-N 3.27Å; K82-A84 PolarHBondContact O-N 3.46Å |
| 83 | G | 47.6 | Very low | 50.8 | Low | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -51 | 129.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | E81 N85 | E81-G83 VanDerWaalsContact C-N 3.3Å; E81-G83 PolarHBondContact O-N 2.71Å; G83-N85 PolarHBondContact O-N 3.4Å |
| 84 | A | 54.3 | Low | 51.3 | Low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -71.5 | 38 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K82 | K82-A84 PolarHBondContact O-N 3.46Š|
| 85 | N | 47.6 | Very low | 51.9 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | -108.3 | 83 | 173.6 | -64.4 | -27.4 | 0 | 0 | 0 | 108.1 | G83 V87 | G83-N85 PolarHBondContact O-N 3.4Å; N85-V87 PolarHBondContact O-N 3.44Å |
| 86 | D | 42.7 | Very low | 52.7 | Low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | | | trans | -79 | 98.5 | 170.4 | -149.7 | 8.6 | 0 | 0 | 0 | 107.6 | | |
| 87 | V | 51.3 | Low | 53.6 | Low | 140 Ų | 140 | 120.7 Ų | 120.7 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | | | trans | -148.8 | 117.7 | 160.8 | -150 | 0 | 0 | 0 | 0 | 111.3 | N85 | N85-V87 PolarHBondContact O-N 3.44Š|
| 88 | G | 44.1 | Very low | 54.4 | Low | 63 Ų | 63 | 120.3 Ų | 120.3 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | | | trans | 95.3 | 100.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A90 | G88-A90 VanDerWaalsContact C-N 3.26Å; G88-A90 PolarHBondContact O-N 3.41Å |
| 89 | N | 47.1 | Very low | 55.8 | Low | 153 Ų | 153 | 116.9 Ų | 116.9 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | | | trans | -41 | 84.2 | 160.2 | -140.8 | 19.4 | 0 | 0 | 0 | 111.3 | Q91 | N89-Q91 PolarHBondContact O-N 2.95Š|
| 90 | A | 53.7 | Low | 56.9 | Low | 98 Ų | 98 | 115.7 Ų | 115.7 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | | | trans | -78.2 | 59.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G88 G92 | G88-A90 VanDerWaalsContact C-N 3.26Å; G88-A90 PolarHBondContact O-N 3.41Å; A90-G92 PolarHBondContact O-N 3.21Å |
| 91 | Q | 49.3 | Very low | 57.7 | Low | 177 Ų | 177 | 113.9 Ų | 113.9 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | | | trans | -79.3 | 45.6 | 161.9 | -148.9 | 170.8 | 3.6 | 0 | 0 | 108.4 | N89 | N89-Q91 PolarHBondContact O-N 2.95Š|
| 92 | G | 53.6 | Low | 58.6 | Low | 48 Ų | 48 | 108.5 Ų | 108.5 | 50% | 0.495 | 66% | 0.655 | S | S | . | * | | | trans | -80.6 | 123.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | A90 | A90-G92 PolarHBondContact O-N 3.21Š|
| 93 | S | 60.3 | Low | 59.6 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 51% | 0.51 | 64% | 0.636 | S | S | . | * | | | trans | -51 | 148.4 | 174.9 | 72.3 | 0 | 0 | 0 | 0 | 110.3 | N95 Q96 A97 | S93-N95 PolarHBondContact O-N 2.85Å; S93-Q96 WeakPolarHBondContact O-CB 3.27Å; S93-Q96 PolarHBondContact O-N 3.09Å; S93-A97 PolarHBondContact O-N 3.21Å |
| 94 | A | 66.4 | Low | 60.5 | Low | 83 Ų | 83 | 103.6 Ų | 103.6 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -51.4 | -23.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | N98 | A94-N98 WeakPolarHBondContact O-CB 3.35Å; A94-N98 PolarHBondContact O-N 2.85Å; A94-N98 VanDerWaalsContact O-N 3.14Å |
| 95 | N | 64.2 | Low | 61 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.2 | -39.5 | 174.5 | -62.4 | -13.6 | 0 | 0 | 0 | 112.4 | S93 N98 E99 | S93-N95 PolarHBondContact O-N 2.85Å; N95-N98 PolarHBondContact O-N 3.18Å; N95-E99 WeakPolarHBondContact O-CG 3.35Å; N95-E99 PolarHBondContact O-N 3.05Å |
| 96 | Q | 74.7 | Confident | 61.7 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.8 | -41.2 | 178.3 | -165.7 | 65 | 51.2 | 0 | 0 | 111.5 | S93 N98 E99 D100 | S93-Q96 WeakPolarHBondContact O-CB 3.27Å; S93-Q96 PolarHBondContact O-N 3.09Å; Q96-N98 PolarHBondContact O-N 2.97Å; Q96-E99 PolarHBondContact O-N 3.13Å; Q96-D100 WeakPolarHBondContact O-CB 3.47Å; Q96-D100 PolarHBondContact O-N 3.22Å |
| 97 | A | 70.6 | Confident | 62.8 | Low | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.7 | -34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S93 L101 | S93-A97 PolarHBondContact O-N 3.21Å; A97-L101 WeakPolarHBondContact O-CB 3.37Å; A97-L101 PolarHBondContact O-N 3Å |
| 98 | N | 68.3 | Low | 63.1 | Low | 96 Ų | 96 | 99 Ų | 99 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.9 | -41.3 | 177.3 | -158.7 | 30.3 | 0 | 0 | 0 | 111.9 | A94 N95 Q96 L101 L102 | A94-N98 WeakPolarHBondContact O-CB 3.35Å; A94-N98 PolarHBondContact O-N 2.85Å; A94-N98 VanDerWaalsContact O-N 3.14Å; N95-N98 PolarHBondContact O-N 3.18Å; Q96-N98 PolarHBondContact O-N 2.97Å; N98-L101 PolarHBondContact O-N 2.89Å; N98-L102 VanDerWaalsContact O-CG 3.27Å; N98-L102 WeakPolarHBondContact O-CG 3.42Å; N98-L102 PolarHBondContact O-N 3.02Å |
| 99 | E | 71.1 | Confident | 63.6 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.514 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -41.4 | 174.3 | -73.5 | 175.8 | -168.9 | 0 | 0 | 111.8 | N95 Q96 L102 V103 | N95-E99 WeakPolarHBondContact O-CG 3.35Å; N95-E99 PolarHBondContact O-N 3.05Å; Q96-E99 PolarHBondContact O-N 3.13Å; E99-L102 PolarHBondContact O-N 2.94Å; E99-V103 WeakPolarHBondContact O-CG2 3.38Å; E99-V103 PolarHBondContact O-N 3.06Å |
| 100 | D | 76.2 | Confident | 64 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -38.7 | 178.5 | -153.9 | 46.6 | 0 | 0 | 0 | 111.7 | Q96 L102 N104 | Q96-D100 WeakPolarHBondContact O-CB 3.47Å; Q96-D100 PolarHBondContact O-N 3.22Å; D100-L102 PolarHBondContact O-N 2.92Å; D100-N104 VanDerWaalsContact O-CB 3.24Å; D100-N104 WeakPolarHBondContact O-CB 3.31Å; D100-N104 PolarHBondContact O-N 3.02Å; D100-N104 PolarHBondContact O-ND2 2.86Å |
| 101 | L | 70.4 | Confident | 64 | Low | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -41.1 | 170.7 | -95.7 | 158.6 | 0 | 0 | 0 | 112.3 | A97 N98 N104 L105 | A97-L101 WeakPolarHBondContact O-CB 3.37Å; A97-L101 PolarHBondContact O-N 3Å; N98-L101 PolarHBondContact O-N 2.89Å; L101-N104 PolarHBondContact O-N 3.04Å; L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.26Å; L101-L105 PolarHBondContact O-N 2.71Å |
| 102 | L | 68.4 | Low | 64.4 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 42% | 0.424 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -47 | 178.9 | -73.2 | 170.3 | 0 | 0 | 0 | 111.3 | N98 E99 D100 N104 L105 F106 | N98-L102 VanDerWaalsContact O-CG 3.27Å; N98-L102 WeakPolarHBondContact O-CG 3.42Å; N98-L102 PolarHBondContact O-N 3.02Å; E99-L102 PolarHBondContact O-N 2.94Å; D100-L102 PolarHBondContact O-N 2.92Å; L102-N104 VanDerWaalsContact C-N 3.27Å; L102-N104 PolarHBondContact O-N 3.2Å; L102-L105 PolarHBondContact O-N 2.99Å; L102-F106 WeakPolarHBondContact O-CD2 2.99Å; L102-F106 PolarHBondContact O-N 3.08Å; L102-F106 VanDerWaalsContact O-N 3.09Å |
| 103 | V | 70.8 | Confident | 64.5 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60 | -42.3 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | E99 F106 N107 | E99-V103 WeakPolarHBondContact O-CG2 3.38Å; E99-V103 PolarHBondContact O-N 3.06Å; V103-F106 PolarHBondContact O-N 3.3Å; V103-N107 WeakPolarHBondContact CG1-ND2 3.15Å; V103-N107 VanDerWaalsContact O-CB 3.31Å; V103-N107 WeakPolarHBondContact O-CB 3.41Å; V103-N107 PolarHBondContact O-N 3.19Å; V103-N107 PolarHBondContact O-ND2 2.87Å |
| 104 | N | 64.5 | Low | 64.3 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 46% | 0.46 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 176.9 | -73.5 | -31.3 | 0 | 0 | 0 | 112.5 | D100 L101 L102 N107 S108 | D100-N104 VanDerWaalsContact O-CB 3.24Å; D100-N104 WeakPolarHBondContact O-CB 3.31Å; D100-N104 PolarHBondContact O-N 3.02Å; D100-N104 PolarHBondContact O-ND2 2.86Å; L101-N104 PolarHBondContact O-N 3.04Å; L102-N104 VanDerWaalsContact C-N 3.27Å; L102-N104 PolarHBondContact O-N 3.2Å; N104-N107 PolarHBondContact O-N 3.15Å; N104-S108 WeakPolarHBondContact O-CA 3.39Å; N104-S108 WeakPolarHBondContact O-CB 3.24Å; N104-S108 PolarHBondContact O-N 3.42Å; N104-S108 PolarHBondContact O-OG 3.33Å |
| 105 | L | 66.3 | Low | 63.6 | Low | 113 Ų | 113 | 104.6 Ų | 104.6 | 59% | 0.592 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -38.2 | 176.7 | -79.3 | 166.3 | 0 | 0 | 0 | 112.8 | L101 L102 S108 | L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.26Å; L101-L105 PolarHBondContact O-N 2.71Å; L102-L105 PolarHBondContact O-N 2.99Å; L105-S108 PolarHBondContact O-OG 2.75Å |
| 106 | F | 62.2 | Low | 63.3 | Low | 161 Ų | 161 | 106.4 Ų | 106.4 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.2 | -30.7 | 178.8 | -74.8 | -68.9 | 0 | 0 | 0 | 112.8 | L102 V103 | L102-F106 WeakPolarHBondContact O-CD2 2.99Å; L102-F106 PolarHBondContact O-N 3.08Å; L102-F106 VanDerWaalsContact O-N 3.09Å; V103-F106 PolarHBondContact O-N 3.3Å |
| 107 | N | 64.3 | Low | 62.4 | Low | 119 Ų | 119 | 111.1 Ų | 111.1 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -88.7 | -18 | 176.1 | -66.8 | -21.9 | 0 | 0 | 0 | 113 | V103 N104 T109 | V103-N107 WeakPolarHBondContact CG1-ND2 3.15Å; V103-N107 VanDerWaalsContact O-CB 3.31Å; V103-N107 WeakPolarHBondContact O-CB 3.41Å; V103-N107 PolarHBondContact O-N 3.19Å; V103-N107 PolarHBondContact O-ND2 2.87Å; N104-N107 PolarHBondContact O-N 3.15Å; N107-T109 PolarHBondContact O-N 2.71Å |
| 108 | S | 59.6 | Low | 61.5 | Low | 67 Ų | 67 | 116 Ų | 116 | 47% | 0.469 | 60% | 0.598 | S | S | . | * | | | trans | -79.1 | 50 | 170.3 | 74.6 | 0 | 0 | 0 | 0 | 110.3 | N104 L105 V110 | N104-S108 WeakPolarHBondContact O-CA 3.39Å; N104-S108 WeakPolarHBondContact O-CB 3.24Å; N104-S108 PolarHBondContact O-N 3.42Å; N104-S108 PolarHBondContact O-OG 3.33Å; L105-S108 PolarHBondContact O-OG 2.75Å; S108-V110 PolarHBondContact O-N 2.9Å |
| 109 | T | 54 | Low | 60.8 | Low | 112 Ų | 112 | 119.7 Ų | 119.7 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | | | trans | -76.7 | 43.8 | 155 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | N107 V111 | N107-T109 PolarHBondContact O-N 2.71Å; T109-V111 PolarHBondContact O-N 3.11Å |
| 110 | V | 54.4 | Low | 60 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | | | trans | -76.5 | 81.5 | 148.7 | -176.3 | 0 | 0 | 0 | 0 | 104.1 | S108 P112 | S108-V110 PolarHBondContact O-N 2.9Å; V110-P112 VanDerWaalsContact O-CD 3.24Å; V110-P112 WeakPolarHBondContact O-CD 3.37Å |
| 111 | V | 55.2 | Low | 58.9 | Low | 66 Ų | 66 | 125.6 Ų | 125.6 | 40% | 0.4 | 64% | 0.639 | S | S | . | * | | | trans | -52.6 | 114.3 | 159.6 | -179.3 | 0 | 0 | 0 | 0 | 104.1 | T109 E113 E116 | T109-V111 PolarHBondContact O-N 3.11Å; V111-E113 PolarHBondContact O-N 2.98Å; V111-E116 HydrophobicContact CG1-CG 3.56Å |
| 112 | P | 56.5 | Low | 58 | Low | 74 Ų | 74 | 130 Ų | 130 | 48% | 0.481 | 65% | 0.653 | S | S | . | * | | | trans | -59.1 | 120.6 | -177.6 | -9.1 | 18.7 | 0 | 0 | 0 | 106.2 | V110 G114 Y115 | V110-P112 VanDerWaalsContact O-CD 3.24Å; V110-P112 WeakPolarHBondContact O-CD 3.37Å; P112-G114 PolarHBondContact O-N 3.17Å; P112-Y115 HydrophobicContact CB-CD2 3.73Å; P112-Y115 HydrophobicContact CB-CE2 4.05Å; P112-Y115 HydrophobicContact CG-CD2 3.78Å; P112-Y115 HydrophobicContact CG-CE2 4.1Å; P112-Y115 PolarHBondContact O-N 2.85Å |
| 113 | E | 57.1 | Low | 57.5 | Low | 204 Ų | 204 | 130.3 Ų | 130.3 | 95% | 0.953 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | 112 | -179.1 | -70.6 | -175.1 | 159.5 | 0 | 0 | 108.4 | V111 | V111-E113 PolarHBondContact O-N 2.98Š|
| 114 | G | 56.2 | Low | 56.6 | Low | 53 Ų | 53 | 137.9 Ų | 137.9 | 55% | 0.546 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 123.9 | -19.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | P112 | P112-G114 PolarHBondContact O-N 3.17Š|
| 115 | Y | 50.7 | Low | 56 | Low | 188 Ų | 188 | 139.7 Ų | 139.7 | 74% | 0.737 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -80.6 | -13.7 | 177.1 | -80.9 | -94.4 | 0 | 0 | 0 | 114.3 | P112 R117 | P112-Y115 HydrophobicContact CB-CD2 3.73Å; P112-Y115 HydrophobicContact CB-CE2 4.05Å; P112-Y115 HydrophobicContact CG-CD2 3.78Å; P112-Y115 HydrophobicContact CG-CE2 4.1Å; P112-Y115 PolarHBondContact O-N 2.85Å; Y115-R117 VanDerWaalsContact C-N 3.26Å; Y115-R117 PolarHBondContact O-N 2.73Å |
| 116 | E | 58.8 | Low | 55.2 | Low | 151 Ų | 151 | 142.8 Ų | 142.8 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -74.6 | -9.8 | -179.5 | -62.2 | -169.4 | 160.4 | 0 | 0 | 114.3 | V111 | V111-E116 HydrophobicContact CG1-CG 3.56Š|
| 117 | R | 55.8 | Low | 54.9 | Low | 204 Ų | 204 | 141 Ų | 141 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -99.4 | 3.6 | -163.1 | -71.9 | -169.4 | 174.3 | -171.9 | -0 | 117.4 | Y115 | Y115-R117 VanDerWaalsContact C-N 3.26Å; Y115-R117 PolarHBondContact O-N 2.73Å |
| 118 | H | 50.7 | Low | 54.7 | Low | 160 Ų | 160 | 138.9 Ų | 138.9 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -122.7 | 9.7 | -178.7 | -59 | -45.1 | 0 | 0 | 0 | 116.3 | T120 | H118-T120 PolarHBondContact O-N 2.79Å; H118-T120 VanDerWaalsContact O-N 3.15Å |
| 119 | L | 53.3 | Low | 54.6 | Low | 173 Ų | 173 | 141.9 Ų | 141.9 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | | | trans | -83.8 | 42.7 | 158.5 | -66.3 | 175.6 | 0 | 0 | 0 | 110.6 | R121 | L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3Å |
| 120 | T | 54.6 | Low | 55 | Low | 101 Ų | 101 | 141.5 Ų | 141.5 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | | | trans | -62.4 | 101.9 | 164.3 | 45.9 | 0 | 0 | 0 | 0 | 107.3 | H118 K122 | H118-T120 PolarHBondContact O-N 2.79Å; H118-T120 VanDerWaalsContact O-N 3.15Å; T120-K122 PolarHBondContact O-N 2.92Å |
| 121 | R | 53.5 | Low | 55.5 | Low | 225 Ų | 225 | 141.9 Ų | 141.9 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | | | trans | -43.6 | 67.9 | 169.9 | -165.7 | -179.4 | -177 | 173.6 | 1.7 | 112.7 | L119 | L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3Å |
| 122 | K | 51.5 | Low | 55.9 | Low | 196 Ų | 196 | 150.4 Ų | 150.4 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | -123.7 | 14.3 | -175.2 | -81.2 | -139.6 | 177.2 | -172.9 | 0 | 114.9 | T120 | T120-K122 PolarHBondContact O-N 2.92Š|
| 123 | A | 57.1 | Low | 56.4 | Low | 89 Ų | 89 | 156.7 Ų | 156.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -137.5 | 5.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 124 | W | 53.4 | Low | 56.8 | Low | 236 Ų | 236 | 156.4 Ų | 156.4 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -122 | -13 | -173.5 | -75.2 | 85.2 | 0 | 0 | 0 | 116.7 | | |
| 125 | D | 50.9 | Low | 57.2 | Low | 125 Ų | 125 | 157.5 Ų | 157.5 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -122.6 | 84.2 | 178.7 | -64.3 | -39.4 | 0 | 0 | 0 | 109.4 | | |
| 126 | E | 50 | Low | 57.5 | Low | 178 Ų | 178 | 156.6 Ų | 156.6 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | 157 | 113.8 | 130.9 | -83.6 | -176 | -170 | 0 | 0 | 110.6 | G128 | E126-G128 PolarHBondContact O-N 2.96Š|
| 127 | P | 56.3 | Low | 57.7 | Low | 123 Ų | 123 | 158 Ų | 158 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | | | trans | -65.1 | 104.5 | 170.3 | 27 | -31.1 | 0 | 0 | 0 | 108.1 | T129 | P127-T129 PolarHBondContact O-N 2.86Š|
| 128 | G | 58.6 | Low | 57.8 | Low | 74 Ų | 74 | 155.8 Ų | 155.8 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | | | trans | -53.3 | 104.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | E126 | E126-G128 PolarHBondContact O-N 2.96Š|
| 129 | T | 58.7 | Low | 58.1 | Low | 131 Ų | 131 | 155.5 Ų | 155.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 122.7 | 178.4 | -24.7 | 0 | 0 | 0 | 0 | 107.9 | P127 | P127-T129 PolarHBondContact O-N 2.86Š|
| 130 | P | 61.6 | Low | 58.4 | Low | 104 Ų | 104 | 154.6 Ų | 154.6 | 68% | 0.675 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143.2 | -174.4 | 20.8 | -31 | 0 | 0 | 0 | 110.6 | R132 | P130-R132 PolarHBondContact O-N 3.09Å; P130-R132 VanDerWaalsContact O-N 3.11Å |
| 131 | P | 65.7 | Low | 58.6 | Low | 125 Ų | 125 | 157.7 Ų | 157.7 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.9 | -174.2 | 21.7 | -32.2 | 0 | 0 | 0 | 110.3 | K133 | P131-K133 PolarHBondContact O-N 3.11Å; P131-K133 VanDerWaalsContact O-N 3.09Å |
| 132 | R | 64.1 | Low | 58.9 | Low | 244 Ų | 244 | 153.5 Ų | 153.5 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | | | trans | -59.1 | 113.9 | 172.7 | -76.8 | -179.4 | 164.2 | 172.1 | -4.4 | 108.3 | P130 K134 | P130-R132 PolarHBondContact O-N 3.09Å; P130-R132 VanDerWaalsContact O-N 3.11Å; R132-K134 PolarHBondContact O-N 3.15Å; R132-K134 VanDerWaalsContact O-N 3.15Å |
| 133 | K | 66.5 | Low | 59.4 | Low | 206 Ų | 206 | 150.7 Ų | 150.7 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | | | trans | -55.3 | 119.9 | 168.4 | -75.9 | -173.9 | 176.1 | -177.7 | 0 | 107.9 | P131 G135 | P131-K133 PolarHBondContact O-N 3.11Å; P131-K133 VanDerWaalsContact O-N 3.09Å; K133-G135 PolarHBondContact O-N 3.11Å; K133-G135 VanDerWaalsContact O-N 3.11Å |
| 134 | K | 64.6 | Low | 59.6 | Low | 199 Ų | 199 | 155.1 Ų | 155.1 | 87% | 0.865 | 85% | 0.846 | S | S | * | * | | | trans | -64.4 | 111 | 165.7 | -71.2 | -173.8 | 178.4 | -176.4 | 0 | 106.6 | R132 I136 | R132-K134 PolarHBondContact O-N 3.15Å; R132-K134 VanDerWaalsContact O-N 3.15Å; K134-I136 PolarHBondContact O-N 3.32Å |
| 135 | G | 64.1 | Low | 60.1 | Low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | | | trans | -59.6 | 124.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | K133 | K133-G135 PolarHBondContact O-N 3.11Å; K133-G135 VanDerWaalsContact O-N 3.11Å |
| 136 | I | 57.1 | Low | 60.9 | Low | 169 Ų | 169 | 150.8 Ų | 150.8 | 87% | 0.867 | 86% | 0.857 | S | S | * | * | | | trans | -82.1 | 115.6 | 169.2 | -58.7 | 158.7 | 0 | 0 | 0 | 104.3 | K134 | K134-I136 PolarHBondContact O-N 3.32Š|
| 137 | S | 62.8 | Low | 61.8 | Low | 182 Ų | 182 | 148.4 Ų | 148.4 | 100% | 1.273 | 86% | 0.859 | S | S | * | * | | | trans | -72 | 0 | 170.4 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | | |