| 1 | N | 46.8 | Very low | 55.5 | Low | 217 Ų | 217 | 157.8 Ų | 157.8 | 100% | 1.16 | 87% | 0.867 | S | S | * | * | | | | 0 | 98.4 | 0 | -68.4 | -38.7 | 0 | 0 | 0 | 108.7 | | |
| 2 | Q | 44.4 | Very low | 56.2 | Low | 181 Ų | 181 | 155.2 Ų | 155.2 | 85% | 0.846 | 86% | 0.863 | S | S | * | * | | | trans | -82.9 | 127.9 | -177.5 | -63.1 | 177.8 | 42.1 | 0 | 0 | 109.2 | | |
| 3 | T | 58.3 | Low | 56.2 | Low | 141 Ų | 141 | 154.5 Ų | 154.5 | 87% | 0.865 | 86% | 0.857 | S | S | * | * | | | trans | -113.9 | 114.1 | 166.9 | 43.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 4 | K | 58.7 | Low | 56 | Low | 193 Ų | 193 | 150.4 Ų | 150.4 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | | | trans | -82.9 | 133.9 | 171.9 | -60.7 | -139.5 | -179.4 | -167.2 | 0 | 108.9 | | |
| 5 | A | 60.1 | Low | 56.3 | Low | 103 Ų | 103 | 151.9 Ų | 151.9 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | | | trans | -131.1 | 108.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 6 | S | 58.2 | Low | 56.2 | Low | 127 Ų | 127 | 156.9 Ų | 156.9 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | | | trans | -69.7 | 128.7 | 173.3 | -177 | 0 | 0 | 0 | 0 | 109.5 | | |
| 7 | R | 56.2 | Low | 55.9 | Low | 222 Ų | 222 | 154.2 Ų | 154.2 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | | | trans | -147.3 | 107.2 | 166.9 | -156.4 | 174.5 | -125.2 | -127.8 | 3.9 | 113.2 | | |
| 8 | R | 54.5 | Low | 56 | Low | 217 Ų | 217 | 154.4 Ų | 154.4 | 82% | 0.819 | 84% | 0.838 | S | S | * | * | | | trans | 66.4 | 107.3 | 149.7 | -71.3 | -175.1 | 175.7 | -103.9 | 0 | 118.6 | | |
| 9 | A | 51.4 | Low | 55.4 | Low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | | | trans | -54.2 | 133.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 10 | C | 61.7 | Low | 55.5 | Low | 133 Ų | 133 | 151.9 Ų | 151.9 | 90% | 0.899 | 83% | 0.834 | S | S | * | * | | | trans | -77.7 | 110.5 | 155.5 | -86.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 11 | S | 60.4 | Low | 55.7 | Low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | | | trans | -79.1 | 123.4 | 164.3 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 12 | P | 63.4 | Low | 56.1 | Low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -81 | 128.2 | 163.1 | 31.8 | -26.2 | 0 | 0 | 0 | 108.2 | | |
| 13 | D | 56.2 | Low | 56.7 | Low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | trans | -154.2 | 151.1 | 172.2 | -145.8 | 12.1 | 0 | 0 | 0 | 109.6 | | |
| 14 | P | 53.4 | Low | 56.7 | Low | 96 Ų | 96 | 143.7 Ų | 143.7 | 62% | 0.623 | 80% | 0.804 | S | S | * | * | | | cis | -113.2 | 160.1 | -45.8 | 11.6 | 8.8 | 0 | 0 | 0 | 110.7 | R16 | P14-R16 PolarHBondContact O-N 2.67Š|
| 15 | L | 60.1 | Low | 56.9 | Low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -46.6 | 120.2 | 163.2 | -64.7 | 164.5 | 0 | 0 | 0 | 110.6 | T17 | L15-T17 PolarHBondContact O-N 2.86Å; L15-T17 VanDerWaalsContact O-N 3.07Å |
| 16 | R | 55.4 | Low | 57 | Low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | -74.8 | 99.1 | 174.1 | -69 | -177.1 | 64.9 | -131 | -2.5 | 109.5 | P14 | P14-R16 PolarHBondContact O-N 2.67Š|
| 17 | T | 51.1 | Low | 57.3 | Low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | trans | 28 | 108.2 | 137.1 | 63.8 | 0 | 0 | 0 | 0 | 118 | L15 | L15-T17 PolarHBondContact O-N 2.86Å; L15-T17 VanDerWaalsContact O-N 3.07Å |
| 18 | N | 56.9 | Low | 57.5 | Low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -5.5 | 125.1 | 136.4 | -17.6 | -31 | 0 | 0 | 0 | 114.4 | | |
| 19 | G | 45.2 | Very low | 58.2 | Low | 71 Ų | 71 | 131.9 Ų | 131.9 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -155.3 | 68.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A21 | G19-A21 PolarHBondContact O-N 2.92Š|
| 20 | E | 58.4 | Low | 58.7 | Low | 187 Ų | 187 | 132.9 Ų | 132.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -51.6 | 122.3 | 154.1 | 55.7 | -158.5 | 84.8 | 0 | 0 | 108.8 | | |
| 21 | A | 58.5 | Low | 58.9 | Low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | -150.1 | 113.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G19 | G19-A21 PolarHBondContact O-N 2.92Š|
| 22 | S | 55.9 | Low | 59.2 | Low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | 40.2 | 98.9 | 159.5 | -95.7 | 0 | 0 | 0 | 0 | 118.3 | D24 | S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.06Å; S22-D24 VanDerWaalsContact O-N 3.15Å; S22-D24 PolarHBondContact OG-OD2 3.11Å |
| 23 | E | 57.5 | Low | 59.6 | Low | 195 Ų | 195 | 129 Ų | 129 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | | | | -51.1 | 96.5 | 127.5 | 44.7 | -179.5 | 90.4 | 0 | 0 | 110.3 | | |
| 24 | D | 57.6 | Low | 60.3 | Low | 134 Ų | 134 | 127.7 Ų | 127.7 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -121 | 83.6 | 154.2 | -85.4 | -60.6 | 0 | 0 | 0 | 106.3 | S22 E26 | S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.06Å; S22-D24 VanDerWaalsContact O-N 3.15Å; S22-D24 PolarHBondContact OG-OD2 3.11Å; D24-E26 PolarHBondContact O-N 3.12Å |
| 25 | G | 62.9 | Low | 61.1 | Low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | | | trans | -72 | 80.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | D27 | G25-D27 PolarHBondContact O-N 3.07Š|
| 26 | E | 62.4 | Low | 61.9 | Low | 167 Ų | 167 | 128.1 Ų | 128.1 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | -75.8 | 81.4 | 166.6 | -170.2 | 147.6 | 100.9 | 0 | 0 | 107.7 | D24 T28 | D24-E26 PolarHBondContact O-N 3.12Å; E26-T28 HydrophobicContact CG-CG2 3.68Å; E26-T28 PolarHBondContact O-N 3.41Å |
| 27 | D | 64.5 | Low | 62.8 | Low | 134 Ų | 134 | 125.7 Ų | 125.7 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | -73.8 | 81.1 | 169 | -144.3 | 11.1 | 0 | 0 | 0 | 107.2 | G25 D29 | G25-D27 PolarHBondContact O-N 3.07Å; D27-D29 VanDerWaalsContact C-N 3.3Å |
| 28 | T | 60.7 | Low | 63.6 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -95.7 | 66.2 | 164.9 | 58.6 | 0 | 0 | 0 | 0 | 108.5 | E26 C30 | E26-T28 HydrophobicContact CG-CG2 3.68Å; E26-T28 PolarHBondContact O-N 3.41Å; T28-C30 PolarHBondContact O-N 2.96Å; T28-C30 VanDerWaalsContact O-N 3.15Å |
| 29 | D | 68.3 | Low | 64.4 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | | | trans | -82.4 | 51 | 163.2 | 66.4 | -30.8 | 0 | 0 | 0 | 110 | D27 | D27-D29 VanDerWaalsContact C-N 3.3Š|
| 30 | C | 62.8 | Low | 65.4 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -116.1 | 64 | 166.1 | -109.9 | 0 | 0 | 0 | 0 | 109.1 | T28 G32 | T28-C30 PolarHBondContact O-N 2.96Å; T28-C30 VanDerWaalsContact O-N 3.15Å; C30-G32 PolarHBondContact O-N 3.23Å |
| 31 | D | 66.4 | Low | 65.5 | Low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | -67.6 | 78.9 | 149.1 | -179.2 | 0.1 | 0 | 0 | 0 | 107 | S33 | D31-S33 PolarHBondContact O-N 3.38Å; D31-S33 VanDerWaalsContact OD1-CB 3.26Å; D31-S33 WeakPolarHBondContact OD1-CB 3.45Å; D31-S33 PolarHBondContact OD1-N 2.77Å; D31-S33 VanDerWaalsContact OD1-N 3.09Å; D31-S33 PolarHBondContact OD1-OG 3.37Å; D31-S33 PolarHBondContact OD2-OG 2.94Å |
| 32 | G | 65 | Low | 65.6 | Low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -68.8 | 49.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | C30 P34 | C30-G32 PolarHBondContact O-N 3.23Å; G32-P34 VanDerWaalsContact O-CD 3.29Å; G32-P34 WeakPolarHBondContact O-CD 3.43Å |
| 33 | S | 72.3 | Confident | 65.8 | Low | 80 Ų | 80 | 130.1 Ų | 130.1 | 56% | 0.559 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.4 | 167.7 | -83.2 | 0 | 0 | 0 | 0 | 107.6 | D31 L35 | D31-S33 PolarHBondContact O-N 3.38Å; D31-S33 VanDerWaalsContact OD1-CB 3.26Å; D31-S33 WeakPolarHBondContact OD1-CB 3.45Å; D31-S33 PolarHBondContact OD1-N 2.77Å; D31-S33 VanDerWaalsContact OD1-N 3.09Å; D31-S33 PolarHBondContact OD1-OG 3.37Å; D31-S33 PolarHBondContact OD2-OG 2.94Å; S33-L35 PolarHBondContact O-N 3.44Å |
| 34 | P | 71.2 | Confident | 65.6 | Low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 137.2 | 172.4 | 26 | -31.2 | 0 | 0 | 0 | 108.2 | G32 | G32-P34 VanDerWaalsContact O-CD 3.29Å; G32-P34 WeakPolarHBondContact O-CD 3.43Å |
| 35 | L | 70.7 | Confident | 65.3 | Low | 159 Ų | 159 | 124.6 Ų | 124.6 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 141.7 | 166.5 | -69.8 | 168.6 | 0 | 0 | 0 | 108.4 | S33 E37 | S33-L35 PolarHBondContact O-N 3.44Å; L35-E37 PolarHBondContact O-N 3.17Å |
| 36 | P | 75.5 | Confident | 64.8 | Low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133.1 | 177.1 | 23.8 | -32.8 | 0 | 0 | 0 | 109.6 | D38 | P36-D38 PolarHBondContact O-N 3.4Š|
| 37 | E | 74.4 | Confident | 64 | Low | 182 Ų | 182 | 121 Ų | 121 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 124.7 | 171.4 | -89 | 157.8 | 84.1 | 0 | 0 | 109.2 | L35 V39 | L35-E37 PolarHBondContact O-N 3.17Å; E37-V39 VanDerWaalsContact O-CG2 3.25Å; E37-V39 WeakPolarHBondContact O-CG2 3.41Å; E37-V39 PolarHBondContact O-N 3.43Å |
| 38 | D | 69.4 | Low | 63.3 | Low | 161 Ų | 161 | 118.3 Ų | 118.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -67.8 | 97.8 | 179.3 | -157.3 | -24.2 | 0 | 0 | 0 | 108.5 | P36 | P36-D38 PolarHBondContact O-N 3.4Š|
| 39 | V | 72.5 | Confident | 63 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | -85.4 | 122.1 | 179.9 | -152.5 | 0 | 0 | 0 | 0 | 107.6 | E37 E41 | E37-V39 VanDerWaalsContact O-CG2 3.25Å; E37-V39 WeakPolarHBondContact O-CG2 3.41Å; E37-V39 PolarHBondContact O-N 3.43Å; V39-E41 PolarHBondContact O-N 3.12Å |
| 40 | P | 67.1 | Low | 62.4 | Low | 115 Ų | 115 | 119.5 Ų | 119.5 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | trans | -62.7 | 123.8 | 179.8 | 24.1 | -32.5 | 0 | 0 | 0 | 110.3 | S42 | P40-S42 PolarHBondContact O-N 3.39Š|
| 41 | E | 60.8 | Low | 62 | Low | 178 Ų | 178 | 117.8 Ų | 117.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -61.5 | 99.9 | 176.3 | -169.4 | 178.7 | 131.4 | 0 | 0 | 109.6 | V39 V43 | V39-E41 PolarHBondContact O-N 3.12Å; E41-V43 PolarHBondContact O-N 3.13Å |
| 42 | S | 59.3 | Low | 61.5 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -72.4 | 100.6 | 171.4 | 68.2 | 0 | 0 | 0 | 0 | 108.6 | P40 N44 | P40-S42 PolarHBondContact O-N 3.39Å; S42-N44 PolarHBondContact O-N 3.5Å |
| 43 | V | 61.5 | Low | 60.8 | Low | 132 Ų | 132 | 121 Ų | 121 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | trans | -61.6 | 102.4 | 165.5 | 171.3 | 0 | 0 | 0 | 0 | 108 | E41 | E41-V43 PolarHBondContact O-N 3.13Š|
| 44 | N | 52.3 | Low | 59.8 | Low | 151 Ų | 151 | 122.5 Ų | 122.5 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | -138.9 | 104.1 | 165.1 | -171.9 | 5.1 | 0 | 0 | 0 | 110.8 | S42 | S42-N44 PolarHBondContact O-N 3.5Š|
| 45 | G | 51.2 | Low | 58.8 | Low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | | 74.6 | 90.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 46 | G | 53.6 | Low | 58 | Low | 87 Ų | 87 | 123.8 Ų | 123.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | | 76.1 | 116.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 47 | G | 44.1 | Very low | 56.7 | Low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | 168.8 | 88.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 48 | G | 50.5 | Low | 55.6 | Low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | 92.1 | 76.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | A50 | G48-A50 PolarHBondContact O-N 3.26Š|
| 49 | K | 53.3 | Low | 54.6 | Low | 196 Ų | 196 | 120.8 Ų | 120.8 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | | | trans | -62.3 | 102.2 | 150.1 | -98.4 | -171 | 156.4 | -153.7 | 0 | 108 | C51 | K49-C51 PolarHBondContact O-N 3.28Å; K49-C51 VanDerWaalsContact O-N 3.11Å |
| 50 | A | 57.3 | Low | 53.2 | Low | 64 Ų | 64 | 124.3 Ų | 124.3 | 53% | 0.529 | 78% | 0.775 | S | S | . | * | | | trans | -72.5 | 97.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | G48 F52 | G48-A50 PolarHBondContact O-N 3.26Å; A50-F52 HydrophobicContact CB-CD1 4.44Å; A50-F52 HydrophobicContact CB-CE1 3.77Å; A50-F52 HydrophobicContact CB-CZ 3.87Å; A50-F52 VanDerWaalsContact O-CD2 3.23Å; A50-F52 WeakPolarHBondContact O-CD2 3.27Å; A50-F52 WeakPolarHBondContact O-CE2 3.38Å; A50-F52 WeakPolarHBondContact O-CZ 3.43Å; A50-F52 PolarHBondContact O-N 3.42Å; A50-F52 VanDerWaalsContact O-N 3.12Å |
| 51 | C | 54.4 | Low | 51.8 | Low | 83 Ų | 83 | 128.5 Ų | 128.5 | 56% | 0.561 | 79% | 0.785 | S | S | * | * | | | trans | -75.3 | 94.5 | 173.3 | -75 | 0 | 0 | 0 | 0 | 108.9 | K49 A53 | K49-C51 PolarHBondContact O-N 3.28Å; K49-C51 VanDerWaalsContact O-N 3.11Å; C51-A53 PolarHBondContact O-N 3.49Å; C51-A53 VanDerWaalsContact O-N 3.07Å |
| 52 | F | 54.5 | Low | 50.7 | Low | 184 Ų | 184 | 126.7 Ų | 126.7 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -67.2 | 0.5 | 172.9 | -34 | -83.8 | 0 | 0 | 0 | 113.4 | A50 | A50-F52 HydrophobicContact CB-CD1 4.44Å; A50-F52 HydrophobicContact CB-CE1 3.77Å; A50-F52 HydrophobicContact CB-CZ 3.87Å; A50-F52 VanDerWaalsContact O-CD2 3.23Å; A50-F52 WeakPolarHBondContact O-CD2 3.27Å; A50-F52 WeakPolarHBondContact O-CE2 3.38Å; A50-F52 WeakPolarHBondContact O-CZ 3.43Å; A50-F52 PolarHBondContact O-N 3.42Å; A50-F52 VanDerWaalsContact O-N 3.12Å |
| 53 | A | 50.2 | Low | 49.7 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -81.8 | -17.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C51 L55 | C51-A53 PolarHBondContact O-N 3.49Å; C51-A53 VanDerWaalsContact O-N 3.07Å; A53-L55 VanDerWaalsContact C-N 3.32Å; A53-L55 PolarHBondContact O-N 3.36Å |
| 54 | S | 52.4 | Low | 49.5 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -83.8 | 1.5 | -172 | -59.7 | 0 | 0 | 0 | 0 | 115 | | |
| 55 | L | 50.2 | Low | 48.7 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -85.8 | -13.2 | -176.9 | -164.1 | 58.7 | 0 | 0 | 0 | 113.7 | A53 | A53-L55 VanDerWaalsContact C-N 3.32Å; A53-L55 PolarHBondContact O-N 3.36Å |
| 56 | I | 54.7 | Low | 48.4 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -108.1 | 61.1 | -175.2 | -42.9 | -68.6 | 0 | 0 | 0 | 110.2 | | |
| 57 | Q | 47.2 | Very low | 48 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | trans | -158.9 | 51.3 | 171.3 | -122.2 | 176.4 | 29.5 | 0 | 0 | 113.5 | | |
| 58 | A | 50.6 | Low | 47.9 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | | | trans | -150.2 | 68.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 59 | S | 49.5 | Very low | 47.6 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -156.2 | 110.7 | 155.1 | -89 | 0 | 0 | 0 | 0 | 111.7 | | |
| 60 | Q | 43.3 | Very low | 47.3 | Very low | 193 Ų | 193 | 135 Ų | 135 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | 91.7 | 113.5 | 142.2 | -61.4 | -166.4 | -3.9 | 0 | 0 | 120 | | |
| 61 | E | 36.8 | Very low | 47.3 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | | | trans | -60.9 | 168.6 | 168.9 | -175.5 | 176.6 | 90.8 | 0 | 0 | 113 | | |
| 62 | E | 38.3 | Very low | 46.9 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | | | trans | -112.4 | 133.4 | -153.1 | 174.3 | -166.9 | 108.8 | 0 | 0 | 113 | | |
| 63 | K | 38.1 | Very low | 47.1 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 70% | 0.704 | 78% | 0.776 | S | S | * | * | | | trans | 75 | 168.4 | 144.1 | -77.1 | 173.9 | -152.2 | 156.2 | 0 | 121.7 | | |
| 64 | P | 57.3 | Low | 47.3 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | cis | -141.5 | -171.1 | -30.2 | 34.1 | -13 | 0 | 0 | 0 | 115 | | |
| 65 | V | 36.3 | Very low | 47.3 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 112.6 | 101.7 | 149.6 | 164.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 66 | K | 43.9 | Very low | 47.3 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | | 74.5 | 142.3 | 118.9 | -148.5 | -173 | -179.9 | -118.3 | 0 | 122.4 | | |
| 67 | E | 45.9 | Very low | 46.8 | Very low | 135 Ų | 135 | 145 Ų | 145 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | | | trans | 93.7 | 102 | 147.6 | -137.4 | 142.6 | -130.3 | 0 | 0 | 115.5 | | |
| 68 | E | 42.5 | Very low | 47 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | | 95.6 | 126.9 | 83.8 | -172.8 | -148.2 | 143.6 | 0 | 0 | 112.2 | | |
| 69 | A | 43.1 | Very low | 47 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | trans | 63.2 | 143.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 70 | T | 47.5 | Very low | 47.4 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | cis | -162.1 | 130.4 | 12 | 6.9 | 0 | 0 | 0 | 0 | 105.4 | E72 | T70-E72 PolarHBondContact O-N 2.93Š|
| 71 | Q | 57.1 | Low | 47.4 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 97% | 0.967 | 76% | 0.759 | S | S | * | * | | | trans | -77 | 92 | 172.2 | -173.9 | 165.5 | -59.1 | 0 | 0 | 108.8 | | |
| 72 | E | 45.8 | Very low | 48.4 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | -113.6 | 101.6 | 166.6 | -173.4 | 176.5 | 168.8 | 0 | 0 | 108.7 | T70 R74 | T70-E72 PolarHBondContact O-N 2.93Å; E72-R74 PolarHBondContact O-N 2.68Å |
| 73 | S | 59.2 | Low | 49.2 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -70.2 | 114.4 | 166.6 | 159.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 74 | R | 52.9 | Low | 50.1 | Low | 188 Ų | 188 | 144 Ų | 144 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | | | trans | -143.1 | 117.4 | 161.5 | -168.7 | 165.8 | 174.8 | -134.1 | -11.9 | 113.1 | E72 | E72-R74 PolarHBondContact O-N 2.68Š|
| 75 | E | 52.6 | Low | 49.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 59% | 0.589 | 75% | 0.746 | S | S | * | * | | | trans | 71.7 | 102.1 | 138.5 | -157.7 | 160.2 | 152.9 | 0 | 0 | 117.9 | T77 | E75-T77 PolarHBondContact O-N 2.81Š|
| 76 | S | 52 | Low | 51 | Low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | -62.2 | 99 | 166.8 | -48.2 | 0 | 0 | 0 | 0 | 110.5 | T78 | S76-T78 PolarHBondContact O-N 3.35Š|
| 77 | T | 42.9 | Very low | 51.9 | Low | 120 Ų | 120 | 137.5 Ų | 137.5 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -84.1 | 109.1 | 161.7 | 41.3 | 0 | 0 | 0 | 0 | 109 | E75 E79 | E75-T77 PolarHBondContact O-N 2.81Å; T77-E79 PolarHBondContact O-N 3.05Å |
| 78 | T | 52.2 | Low | 52.7 | Low | 144 Ų | 144 | 138.3 Ų | 138.3 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | | | trans | -62.9 | 105.3 | 157.3 | 46.1 | 0 | 0 | 0 | 0 | 108.2 | S76 | S76-T78 PolarHBondContact O-N 3.35Š|
| 79 | E | 49.5 | Very low | 53.9 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | | | trans | -136.5 | 111.5 | 166.6 | -168.9 | 164.3 | 92 | 0 | 0 | 110.5 | T77 T81 | T77-E79 PolarHBondContact O-N 3.05Å; E79-T81 PolarHBondContact O-N 2.89Å |
| 80 | T | 57.7 | Low | 55.2 | Low | 138 Ų | 138 | 136.9 Ų | 136.9 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | | | trans | -67.3 | 116.4 | 171.4 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 81 | T | 44 | Very low | 56.8 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | -136.8 | 124.8 | 150.1 | 53.8 | 0 | 0 | 0 | 0 | 108.3 | E79 R83 | E79-T81 PolarHBondContact O-N 2.89Å; T81-R83 PolarHBondContact O-N 3.02Å |
| 82 | D | 57.3 | Low | 58.1 | Low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | -45.7 | 103.6 | 164.2 | 179 | -111.4 | 0 | 0 | 0 | 108.4 | | |
| 83 | R | 55.2 | Low | 60.2 | Low | 184 Ų | 184 | 134.2 Ų | 134.2 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | | | trans | -126 | 95.9 | 177.8 | -176 | 171.1 | 176.2 | 90.6 | 3.8 | 105.2 | T81 D85 | T81-R83 PolarHBondContact O-N 3.02Å; R83-D85 HydrophobicContact CG-CB 3.49Å; R83-D85 VanDerWaalsContact CG-CB 3.49Å; R83-D85 IonicContact CZ-OD2 3.33Å; R83-D85 IonicContact NE-OD2 2.92Å; R83-D85 PolarHBondContact NE-OD2 3.49Å; R83-D85 IonicContact NH2-OD2 2.86Å; R83-D85 PolarHBondContact NH2-OD2 3.05Å; R83-D85 PolarHBondContact O-N 3.19Å |
| 84 | E | 57.2 | Low | 61.9 | Low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | | | trans | -65 | 59.1 | 159.6 | -63.8 | -169.5 | 104.8 | 0 | 0 | 109.4 | S86 | E84-S86 PolarHBondContact O-N 3.32Š|
| 85 | D | 53.1 | Low | 63.8 | Low | 71 Ų | 71 | 127.7 Ų | 127.7 | 38% | 0.38 | 69% | 0.687 | S | S | . | * | | | trans | -97.2 | 67 | 165.9 | -166.5 | 5.2 | 0 | 0 | 0 | 106.2 | R83 S87 | R83-D85 HydrophobicContact CG-CB 3.49Å; R83-D85 VanDerWaalsContact CG-CB 3.49Å; R83-D85 IonicContact CZ-OD2 3.33Å; R83-D85 IonicContact NE-OD2 2.92Å; R83-D85 PolarHBondContact NE-OD2 3.49Å; R83-D85 IonicContact NH2-OD2 2.86Å; R83-D85 PolarHBondContact NH2-OD2 3.05Å; R83-D85 PolarHBondContact O-N 3.19Å; D85-S87 PolarHBondContact O-N 3.29Å; D85-S87 WeakPolarHBondContact OD1-CB 3.18Å; D85-S87 PolarHBondContact OD1-OG 3.46Å |
| 86 | S | 59.5 | Low | 65.8 | Low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | | | trans | -84.5 | 50.9 | 163.8 | -163.4 | 0 | 0 | 0 | 0 | 108.9 | E84 K88 | E84-S86 PolarHBondContact O-N 3.32Å; S86-K88 PolarHBondContact O-N 2.92Å |
| 87 | S | 62.4 | Low | 67.8 | Low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | | | trans | -72.7 | 47 | 149.8 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | D85 D89 | D85-S87 PolarHBondContact O-N 3.29Å; D85-S87 WeakPolarHBondContact OD1-CB 3.18Å; D85-S87 PolarHBondContact OD1-OG 3.46Å; S87-D89 PolarHBondContact O-N 3.5Å |
| 88 | K | 62.3 | Low | 70.2 | Confident | 151 Ų | 151 | 124.3 Ų | 124.3 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | | | trans | -91.5 | 99.5 | 176.1 | -69.3 | -171.3 | -177.6 | -166.7 | 0 | 105.4 | S86 P90 | S86-K88 PolarHBondContact O-N 2.92Å; K88-P90 VanDerWaalsContact O-N 3.15Å |
| 89 | D | 67.6 | Low | 72.2 | Confident | 139 Ų | 139 | 121.5 Ų | 121.5 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | | | trans | -44.4 | 125.3 | 149.3 | -70.1 | -42.9 | 0 | 0 | 0 | 106.6 | S87 L91 | S87-D89 PolarHBondContact O-N 3.5Å; D89-L91 PolarHBondContact O-N 3.05Å |
| 90 | P | 70.9 | Confident | 74.4 | Confident | 73 Ų | 73 | 117.7 Ų | 117.7 | 47% | 0.474 | 64% | 0.639 | S | S | . | * | | | trans | -61.7 | 112.2 | -175.6 | 25.8 | -33.1 | 0 | 0 | 0 | 107.2 | K88 F92 T94 | K88-P90 VanDerWaalsContact O-N 3.15Å; P90-F92 WeakPolarHBondContact CB-O 3.46Å; P90-F92 PolarHBondContact O-N 2.98Å; P90-T94 HydrophobicContact CB-CG2 4.38Å; P90-T94 HydrophobicContact CG-CG2 4.43Å |
| 91 | L | 80.4 | Confident | 76.2 | Confident | 156 Ų | 156 | 115.6 Ų | 115.6 | 82% | 0.817 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -60.8 | -15.5 | -179.5 | -65.6 | 172.1 | 0 | 0 | 0 | 112.2 | D89 | D89-L91 PolarHBondContact O-N 3.05Š|
| 92 | F | 85.7 | Confident | 78.6 | Confident | 177 Ų | 177 | 116.5 Ų | 116.5 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -124.8 | 141.6 | 172.6 | -62.6 | -76.8 | 0 | 0 | 0 | 109.2 | P90 T94 | P90-F92 WeakPolarHBondContact CB-O 3.46Å; P90-F92 PolarHBondContact O-N 2.98Å; F92-T94 PolarHBondContact O-N 2.94Å |
| 93 | L | 90.2 | Very high | 80.4 | Confident | 104 Ų | 104 | 115.3 Ų | 115.3 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | | | trans | -55.5 | 132.8 | 171.8 | -70.2 | 163 | 0 | 0 | 0 | 110 | E97 L98 | L93-E97 HydrophobicContact CD2-CB 3.96Å; L93-L98 HydrophobicContact CB-CD2 3.89Å; L93-L98 HydrophobicContact CB-CG 3.85Å; L93-L98 HydrophobicContact CD1-CD2 3.75Å; L93-L98 HydrophobicContact CG-CD2 4.47Å |
| 94 | T | 93.4 | Very high | 82.3 | Confident | 38 Ų | 38 | 112.6 Ų | 112.6 | 23% | 0.233 | 63% | 0.631 | C | S | . | * | | | trans | -70.3 | 163.5 | 170.7 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | P90 F92 E96 E97 L98 | P90-T94 HydrophobicContact CB-CG2 4.38Å; P90-T94 HydrophobicContact CG-CG2 4.43Å; F92-T94 PolarHBondContact O-N 2.94Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 WeakPolarHBondContact CB-OE2 3.06Å; T94-E96 PolarHBondContact O-N 2.66Å; T94-E96 VanDerWaalsContact OG1-CG 3.27Å; T94-E96 WeakPolarHBondContact OG1-CG 3.35Å; T94-E96 PolarHBondContact OG1-OE1 3.04Å; T94-E96 PolarHBondContact OG1-OE2 3.17Å; T94-E97 WeakPolarHBondContact CB-OE2 3.25Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.38Å; T94-E97 PolarHBondContact N-OE2 3.4Å; T94-E97 PolarHBondContact O-N 3.17Å; T94-E97 WeakPolarHBondContact OG1-CB 3.23Å; T94-E97 WeakPolarHBondContact OG1-CG 3.43Å; T94-E97 PolarHBondContact OG1-N 3.13Å; T94-E97 PolarHBondContact OG1-OE2 3.37Å; T94-L98 WeakPolarHBondContact O-CG 3.14Å; T94-L98 PolarHBondContact O-N 3.36Å |
| 95 | N | 94.6 | Very high | 84.1 | Confident | 132 Ų | 132 | 115.1 Ų | 115.1 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66 | -33.2 | 178 | -69.5 | -64.3 | 0 | 0 | 0 | 111.7 | E97 L98 A99 | N95-E97 VanDerWaalsContact C-N 3.35Å; N95-L98 PolarHBondContact O-N 3.05Å; N95-A99 VanDerWaalsContact O-CB 3.25Å; N95-A99 WeakPolarHBondContact O-CB 3.31Å; N95-A99 PolarHBondContact O-N 3.42Å |
| 96 | E | 93.4 | Very high | 86.1 | Confident | 140 Ų | 140 | 115 Ų | 115 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64 | -39.4 | 174.1 | 61.1 | -90 | -156.1 | 0 | 0 | 112.4 | T94 A99 A100 | T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 WeakPolarHBondContact CB-OE2 3.06Å; T94-E96 PolarHBondContact O-N 2.66Å; T94-E96 VanDerWaalsContact OG1-CG 3.27Å; T94-E96 WeakPolarHBondContact OG1-CG 3.35Å; T94-E96 PolarHBondContact OG1-OE1 3.04Å; T94-E96 PolarHBondContact OG1-OE2 3.17Å; E96-A99 PolarHBondContact O-N 3.22Å; E96-A100 PolarHBondContact O-N 3.34Å; E96-A100 VanDerWaalsContact O-N 3.12Å |
| 97 | E | 94 | Very high | 87.7 | Confident | 80 Ų | 80 | 114.1 Ų | 114.1 | 37% | 0.374 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.6 | -40.9 | 176.8 | -69.4 | 165.6 | 133 | 0 | 0 | 111.8 | L93 T94 N95 A99 A100 L101 | L93-E97 HydrophobicContact CD2-CB 3.96Å; T94-E97 WeakPolarHBondContact CB-OE2 3.25Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.38Å; T94-E97 PolarHBondContact N-OE2 3.4Å; T94-E97 PolarHBondContact O-N 3.17Å; T94-E97 WeakPolarHBondContact OG1-CB 3.23Å; T94-E97 WeakPolarHBondContact OG1-CG 3.43Å; T94-E97 PolarHBondContact OG1-N 3.13Å; T94-E97 PolarHBondContact OG1-OE2 3.37Å; N95-E97 VanDerWaalsContact C-N 3.35Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 3.24Å; E97-A100 WeakPolarHBondContact O-CB 3.25Å; E97-A100 PolarHBondContact O-N 2.97Å; E97-A100 VanDerWaalsContact O-N 3.13Å; E97-L101 PolarHBondContact O-N 3.39Å |
| 98 | L | 93.8 | Very high | 89.1 | Confident | 80 Ų | 80 | 115.7 Ų | 115.7 | 42% | 0.419 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.4 | -40.7 | 174 | -73.3 | 173.4 | 0 | 0 | 0 | 111.6 | L93 T94 N95 A100 L101 | L93-L98 HydrophobicContact CB-CD2 3.89Å; L93-L98 HydrophobicContact CB-CG 3.85Å; L93-L98 HydrophobicContact CD1-CD2 3.75Å; L93-L98 HydrophobicContact CG-CD2 4.47Å; T94-L98 WeakPolarHBondContact O-CG 3.14Å; T94-L98 PolarHBondContact O-N 3.36Å; N95-L98 PolarHBondContact O-N 3.05Å; L98-A100 PolarHBondContact O-N 2.83Å; L98-L101 HydrophobicContact CD2-CD1 3.94Å; L98-L101 VanDerWaalsContact O-CB 3.29Å; L98-L101 WeakPolarHBondContact O-CB 3.29Å; L98-L101 WeakPolarHBondContact O-CG 3.39Å; L98-L101 PolarHBondContact O-N 2.94Å |
| 99 | A | 94.8 | Very high | 90.4 | Very high | 85 Ų | 85 | 113.1 Ų | 113.1 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -21.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | N95 E96 E97 L101 | N95-A99 VanDerWaalsContact O-CB 3.25Å; N95-A99 WeakPolarHBondContact O-CB 3.31Å; N95-A99 PolarHBondContact O-N 3.42Å; E96-A99 PolarHBondContact O-N 3.22Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 3.24Å; A99-L101 VanDerWaalsContact C-N 3.29Å |
| 100 | A | 94.8 | Very high | 91.5 | Very high | 84 Ų | 84 | 108 Ų | 108 | 69% | 0.694 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -9.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E96 E97 L98 | E96-A100 PolarHBondContact O-N 3.34Å; E96-A100 VanDerWaalsContact O-N 3.12Å; E97-A100 WeakPolarHBondContact O-CB 3.25Å; E97-A100 PolarHBondContact O-N 2.97Å; E97-A100 VanDerWaalsContact O-N 3.13Å; L98-A100 PolarHBondContact O-N 2.83Å |
| 101 | L | 95 | Very high | 92.6 | Very high | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -65.1 | 144.2 | 176.5 | -63.9 | 178.8 | 0 | 0 | 0 | 111.3 | E97 L98 A99 V103 | E97-L101 PolarHBondContact O-N 3.39Å; L98-L101 HydrophobicContact CD2-CD1 3.94Å; L98-L101 VanDerWaalsContact O-CB 3.29Å; L98-L101 WeakPolarHBondContact O-CB 3.29Å; L98-L101 WeakPolarHBondContact O-CG 3.39Å; L98-L101 PolarHBondContact O-N 2.94Å; A99-L101 VanDerWaalsContact C-N 3.29Å; L101-V103 PolarHBondContact O-N 2.89Å |
| 102 | P | 94.8 | Very high | 93.4 | Very high | 128 Ų | 128 | 109.7 Ų | 109.7 | 83% | 0.831 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125.6 | -176.4 | 26.5 | -34.4 | 0 | 0 | 0 | 111.5 | | |
| 103 | V | 96.1 | Very high | 94 | Very high | 129 Ų | 129 | 103 Ų | 103 | 78% | 0.782 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 137.4 | 170.9 | -177 | 0 | 0 | 0 | 0 | 109.5 | L101 R105 | L101-V103 PolarHBondContact O-N 2.89Å; V103-R105 PolarHBondContact O-N 3.41Å |
| 104 | V | 95.4 | Very high | 94.3 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 78% | 0.776 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 119.5 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | V106 | V104-V106 HydrophobicContact CG1-CG2 4.43Š|
| 105 | R | 93.8 | Very high | 94.5 | Very high | 235 Ų | 235 | 104.5 Ų | 104.5 | 89% | 0.887 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -86 | 125.3 | 173.2 | -63.8 | -176.1 | 67.6 | -157.8 | 0.2 | 109.8 | V103 | V103-R105 PolarHBondContact O-N 3.41Š|
| 106 | V | 95.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 103.8 Ų | 103.8 | 42% | 0.418 | 60% | 0.598 | S | S | . | * | | | trans | -106.8 | 131.1 | 178.8 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | V104 T113 | V104-V106 HydrophobicContact CG1-CG2 4.43Å; V106-T113 HydrophobicContact CG1-CG2 4Å |
| 107 | P | 92.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 100 Ų | 100 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | | | trans | -64.1 | 152.7 | 173.1 | 26.5 | -33.3 | 0 | 0 | 0 | 111.3 | S109 T113 | P107-S109 PolarHBondContact O-N 3.45Å; P107-T113 WeakPolarHBondContact O-CG2 3.49Å |
| 108 | P | 93.1 | Very high | 94.9 | Very high | 129 Ų | 129 | 101 Ų | 101 | 84% | 0.838 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -68 | -8.3 | -174.3 | 27.9 | -35.8 | 0 | 0 | 0 | 114.5 | | |
| 109 | S | 89.1 | Confident | 95.1 | Very high | 96 Ų | 96 | 99 Ų | 99 | 67% | 0.671 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -122 | 125.5 | 168.6 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | P107 | P107-S109 PolarHBondContact O-N 3.45Š|
| 110 | G | 91.4 | Very high | 95.3 | Very high | 33 Ų | 33 | 97.3 Ų | 97.3 | 34% | 0.34 | 56% | 0.562 | S | S | . | * | S | Bend | trans | 159.9 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y112 T113 | G110-Y112 PolarHBondContact O-N 3.19Å; G110-T113 PolarHBondContact N-OG1 3.04Å; G110-T113 PolarHBondContact O-N 3.44Å; G110-T113 PolarHBondContact O-OG1 3.34Å |
| 111 | K | 93.8 | Very high | 95.4 | Very high | 141 Ų | 141 | 96.1 Ų | 96.1 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.2 | -179 | 55.6 | -162.5 | 155.9 | -168 | 0 | 115.1 | T113 Q116 L117 | K111-T113 VanDerWaalsContact C-N 3.34Å; K111-Q116 CarbonylContact O-C 3.43Å; K111-Q116 VanDerWaalsContact O-CB 3.31Å; K111-Q116 WeakPolarHBondContact O-CB 3.34Å; K111-L117 PolarHBondContact O-N 2.96Å |
| 112 | Y | 96.5 | Very high | 95.6 | Very high | 123 Ų | 123 | 98.7 Ų | 98.7 | 48% | 0.482 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 33.4 | 176.5 | -53.5 | -65.7 | 0 | 0 | 0 | 112.2 | G110 T120 | G110-Y112 PolarHBondContact O-N 3.19Å; Y112-T120 HydrophobicContact CE1-CG2 4.31Å |
| 113 | T | 97.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 98 Ų | 98 | 22% | 0.221 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -129.5 | 157.2 | 172.5 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | V106 P107 G110 K111 Q116 L117 | V106-T113 HydrophobicContact CG1-CG2 4Å; P107-T113 WeakPolarHBondContact O-CG2 3.49Å; G110-T113 PolarHBondContact N-OG1 3.04Å; G110-T113 PolarHBondContact O-N 3.44Å; G110-T113 PolarHBondContact O-OG1 3.34Å; K111-T113 VanDerWaalsContact C-N 3.34Å; T113-Q116 PolarHBondContact O-N 3.3Å; T113-L117 PolarHBondContact O-N 3.09Å; T113-L117 VanDerWaalsContact O-N 3.13Å |
| 114 | G | 96.5 | Very high | 95.8 | Very high | 55 Ų | 55 | 98.9 Ų | 98.9 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | 56.3 | -138.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q116 L117 Q118 | G114-Q116 VanDerWaalsContact C-N 3.28Å; G114-Q116 PolarHBondContact O-N 3.26Å; G114-L117 PolarHBondContact O-N 3.35Å; G114-Q118 PolarHBondContact O-N 3.43Å |
| 115 | T | 97.2 | Very high | 95.9 | Very high | 119 Ų | 119 | 100 Ų | 100 | 73% | 0.73 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -28.5 | -179.6 | 52 | 0 | 0 | 0 | 0 | 112.9 | Q118 A119 | T115-Q118 PolarHBondContact O-N 3.29Å; T115-A119 WeakPolarHBondContact O-CB 3.46Å; T115-A119 PolarHBondContact O-N 2.87Å |
| 116 | Q | 97.1 | Very high | 95.6 | Very high | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -40.3 | 176.7 | -65.3 | -177.5 | 41.4 | 0 | 0 | 111.6 | K111 T113 G114 Q118 A119 T120 | K111-Q116 CarbonylContact O-C 3.43Å; K111-Q116 VanDerWaalsContact O-CB 3.31Å; K111-Q116 WeakPolarHBondContact O-CB 3.34Å; T113-Q116 PolarHBondContact O-N 3.3Å; G114-Q116 VanDerWaalsContact C-N 3.28Å; G114-Q116 PolarHBondContact O-N 3.26Å; Q116-Q118 VanDerWaalsContact C-N 3.34Å; Q116-A119 PolarHBondContact O-N 3.22Å; Q116-T120 WeakPolarHBondContact O-CB 3.37Å; Q116-T120 PolarHBondContact O-N 3.07Å; Q116-T120 PolarHBondContact O-OG1 3.09Å |
| 117 | L | 97.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 96.3 Ų | 96.3 | 31% | 0.314 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.5 | -46.7 | 171.2 | 178 | 60 | 0 | 0 | 0 | 110.9 | K111 T113 G114 A119 T120 I121 | K111-L117 PolarHBondContact O-N 2.96Å; T113-L117 PolarHBondContact O-N 3.09Å; T113-L117 VanDerWaalsContact O-N 3.13Å; G114-L117 PolarHBondContact O-N 3.35Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.2Å; L117-T120 WeakPolarHBondContact O-CB 3.42Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-I121 HydrophobicContact CD1-CD1 4.05Å; L117-I121 HydrophobicContact CD1-CG1 4.22Å; L117-I121 HydrophobicContact CG-CD1 3.87Å; L117-I121 HydrophobicContact CG-CG1 4.46Å; L117-I121 WeakPolarHBondContact O-CG1 3.45Å; L117-I121 PolarHBondContact O-N 2.81Å |
| 118 | Q | 97.8 | Very high | 95.8 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -41.8 | 179.5 | -70.5 | -66.3 | -17 | 0 | 0 | 112.1 | G114 T115 Q116 I121 R122 | G114-Q118 PolarHBondContact O-N 3.43Å; T115-Q118 PolarHBondContact O-N 3.29Å; Q116-Q118 VanDerWaalsContact C-N 3.34Å; Q118-I121 PolarHBondContact O-N 2.87Å; Q118-R122 WeakPolarHBondContact O-CG 3.33Å; Q118-R122 PolarHBondContact O-N 3Å |
| 119 | A | 97.9 | Very high | 96 | Very high | 37 Ų | 37 | 95.4 Ų | 95.4 | 31% | 0.306 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T115 Q116 L117 I121 R122 T123 | T115-A119 WeakPolarHBondContact O-CB 3.46Å; T115-A119 PolarHBondContact O-N 2.87Å; Q116-A119 PolarHBondContact O-N 3.22Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.2Å; A119-I121 VanDerWaalsContact C-N 3.35Å; A119-I121 PolarHBondContact O-N 3.15Å; A119-R122 PolarHBondContact O-N 2.97Å; A119-T123 PolarHBondContact O-N 3.21Å; A119-T123 PolarHBondContact O-OG1 3.01Å; A119-T123 VanDerWaalsContact O-OG1 3.09Å |
| 120 | T | 97.4 | Very high | 96.4 | Very high | 49 Ų | 49 | 95.4 Ų | 95.4 | 30% | 0.301 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 177.7 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | Y112 Q116 L117 T123 L124 | Y112-T120 HydrophobicContact CE1-CG2 4.31Å; Q116-T120 WeakPolarHBondContact O-CB 3.37Å; Q116-T120 PolarHBondContact O-N 3.07Å; Q116-T120 PolarHBondContact O-OG1 3.09Å; L117-T120 WeakPolarHBondContact O-CB 3.42Å; L117-T120 PolarHBondContact O-N 3.48Å; T120-T123 PolarHBondContact O-N 2.56Å; T120-L124 HydrophobicContact CG2-CD1 4.18Å; T120-L124 WeakPolarHBondContact O-CG 3.29Å; T120-L124 PolarHBondContact O-N 3.38Å |
| 121 | I | 97.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 99.3 Ų | 99.3 | 31% | 0.308 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -48 | 177.6 | -69.1 | 167 | 0 | 0 | 0 | 110.4 | L117 Q118 A119 T123 L124 Q125 | L117-I121 HydrophobicContact CD1-CD1 4.05Å; L117-I121 HydrophobicContact CD1-CG1 4.22Å; L117-I121 HydrophobicContact CG-CD1 3.87Å; L117-I121 HydrophobicContact CG-CG1 4.46Å; L117-I121 WeakPolarHBondContact O-CG1 3.45Å; L117-I121 PolarHBondContact O-N 2.81Å; Q118-I121 PolarHBondContact O-N 2.87Å; A119-I121 VanDerWaalsContact C-N 3.35Å; A119-I121 PolarHBondContact O-N 3.15Å; I121-T123 VanDerWaalsContact C-N 3.34Å; I121-T123 PolarHBondContact O-N 3.15Å; I121-L124 PolarHBondContact O-N 3.42Å; I121-Q125 HydrophobicContact CG2-CG 4.32Å; I121-Q125 WeakPolarHBondContact O-CG 3.26Å; I121-Q125 PolarHBondContact O-N 3.24Å |
| 122 | R | 98.1 | Very high | 96.9 | Very high | 147 Ų | 147 | 96.5 Ų | 96.5 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.7 | -46.7 | 177.5 | -73.7 | -171.7 | -61.3 | -93 | 4.3 | 111.7 | Q118 A119 L124 Q125 G126 | Q118-R122 WeakPolarHBondContact O-CG 3.33Å; Q118-R122 PolarHBondContact O-N 3Å; A119-R122 PolarHBondContact O-N 2.97Å; R122-L124 VanDerWaalsContact C-N 3.29Å; R122-L124 PolarHBondContact O-N 3.07Å; R122-Q125 PolarHBondContact O-N 3.02Å; R122-G126 PolarHBondContact O-N 3.03Å |
| 123 | T | 97.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.8 | -37.3 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | A119 T120 I121 | A119-T123 PolarHBondContact O-N 3.21Å; A119-T123 PolarHBondContact O-OG1 3.01Å; A119-T123 VanDerWaalsContact O-OG1 3.09Å; T120-T123 PolarHBondContact O-N 2.56Å; I121-T123 VanDerWaalsContact C-N 3.34Å; I121-T123 PolarHBondContact O-N 3.15Å |
| 124 | L | 97.9 | Very high | 96.9 | Very high | 146 Ų | 146 | 99.1 Ų | 99.1 | 76% | 0.764 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.5 | -26.8 | 178.6 | -69.8 | 174.5 | 0 | 0 | 0 | 113.4 | T120 I121 R122 G126 | T120-L124 HydrophobicContact CG2-CD1 4.18Å; T120-L124 WeakPolarHBondContact O-CG 3.29Å; T120-L124 PolarHBondContact O-N 3.38Å; I121-L124 PolarHBondContact O-N 3.42Å; R122-L124 VanDerWaalsContact C-N 3.29Å; R122-L124 PolarHBondContact O-N 3.07Å; L124-G126 VanDerWaalsContact C-N 3.34Å |
| 125 | Q | 97 | Very high | 96.9 | Very high | 153 Ų | 153 | 102.8 Ų | 102.8 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78 | -21.2 | 179.4 | -74.3 | 175.1 | -21.3 | 0 | 0 | 113 | I121 R122 | I121-Q125 HydrophobicContact CG2-CG 4.32Å; I121-Q125 WeakPolarHBondContact O-CG 3.26Å; I121-Q125 PolarHBondContact O-N 3.24Å; R122-Q125 PolarHBondContact O-N 3.02Å |
| 126 | G | 89.1 | Confident | 96.9 | Very high | 128 Ų | 128 | 101.3 Ų | 101.3 | 100% | 1.32 | 57% | 0.574 | S | S | * | * | | | trans | 92 | 0 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R122 L124 | R122-G126 PolarHBondContact O-N 3.03Å; L124-G126 VanDerWaalsContact C-N 3.34Å |