| 1 | M | 49.8 | Very low | 54.2 | Low | 238 Ų | 238 | 141 Ų | 141 | 100% | 1.172 | 84% | 0.841 | S | S | * | * | | | | 0 | 127.1 | 0 | -72.4 | 166.5 | -149.7 | 0 | 0 | 107.5 | | |
| 2 | M | 53.7 | Low | 53.5 | Low | 191 Ų | 191 | 145 Ų | 145 | 94% | 0.941 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81 | 138.8 | 177.7 | -88.9 | 121.7 | 68.7 | 0 | 0 | 110.4 | | |
| 3 | H | 62.2 | Low | 53 | Low | 178 Ų | 178 | 142.2 Ų | 142.2 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 139.7 | 174.5 | -58 | -73.9 | 0 | 0 | 0 | 110.5 | | |
| 4 | P | 60.5 | Low | 52.4 | Low | 127 Ų | 127 | 137.1 Ų | 137.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 136.7 | 179.8 | 28.4 | -30.9 | 0 | 0 | 0 | 111.9 | A6 | P4-A6 PolarHBondContact O-N 3.34Š|
| 5 | V | 52.7 | Low | 52.5 | Low | 140 Ų | 140 | 137.3 Ų | 137.3 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | | | trans | -78 | 108.5 | 168.8 | 169.3 | 0 | 0 | 0 | 0 | 108.2 | S7 | V5-S7 PolarHBondContact O-N 3.27Š|
| 6 | A | 53.3 | Low | 52.7 | Low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | trans | -75.8 | 100.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | P4 S8 | P4-A6 PolarHBondContact O-N 3.34Å; A6-S8 PolarHBondContact O-N 3.07Å |
| 7 | S | 53 | Low | 52.8 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -70.4 | 110.4 | 159.4 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | V5 | V5-S7 PolarHBondContact O-N 3.27Š|
| 8 | S | 55.3 | Low | 52.7 | Low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | | | trans | -148.6 | 108 | 161.7 | 61.9 | 0 | 0 | 0 | 0 | 109 | A6 P10 | A6-S8 PolarHBondContact O-N 3.07Å; S8-P10 WeakPolarHBondContact O-CD 3.48Å |
| 9 | N | 55.5 | Low | 52.5 | Low | 164 Ų | 164 | 134.7 Ų | 134.7 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | | | trans | -96.7 | 113.6 | 172.3 | -149.3 | -1.9 | 0 | 0 | 0 | 107.3 | | |
| 10 | P | 54.5 | Low | 52.3 | Low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | | | trans | -102.6 | 118.2 | 163.6 | 31.7 | -25.3 | 0 | 0 | 0 | 111.5 | S8 | S8-P10 WeakPolarHBondContact O-CD 3.48Š|
| 11 | A | 46.2 | Very low | 52 | Low | 91 Ų | 91 | 135.5 Ų | 135.5 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | | | trans | -11.7 | 132.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 12 | F | 45.7 | Very low | 51.7 | Low | 189 Ų | 189 | 129.8 Ų | 129.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | | 39.2 | 117.8 | 120.9 | -162 | -106 | 0 | 0 | 0 | 120.2 | | |
| 13 | C | 47 | Very low | 51.3 | Low | 108 Ų | 108 | 129.8 Ų | 129.8 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | 69.2 | 113.5 | 150.6 | -73.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 14 | G | 43.6 | Very low | 50.8 | Low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -140.5 | 130.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 15 | P | 55.1 | Low | 50.4 | Low | 140 Ų | 140 | 125.4 Ų | 125.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -84.1 | 134 | -178.3 | 33.8 | -30.6 | 0 | 0 | 0 | 110 | | |
| 16 | G | 55.9 | Low | 50.1 | Low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | 156 | 64.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 17 | K | 53.9 | Low | 50.1 | Low | 200 Ų | 200 | 131.8 Ų | 131.8 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | -142.4 | 118 | 152.8 | -66.3 | -170.1 | 177.9 | 179.9 | 0 | 108.8 | S19 | K17-S19 PolarHBondContact O-N 2.97Š|
| 18 | P | 50.2 | Low | 49.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -67.1 | 126.6 | 168.3 | 27.8 | -30.9 | 0 | 0 | 0 | 108.5 | C20 | P18-C20 PolarHBondContact O-N 3.03Š|
| 19 | S | 48.7 | Very low | 49.5 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -69.2 | 112.3 | 168.1 | 62.9 | 0 | 0 | 0 | 0 | 108.2 | K17 L21 | K17-S19 PolarHBondContact O-N 2.97Å; S19-L21 PolarHBondContact O-N 2.82Å |
| 20 | C | 48.8 | Very low | 49.4 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | | | trans | -74.1 | 74.6 | 160.4 | 31.8 | 0 | 0 | 0 | 0 | 108.4 | P18 N22 | P18-C20 PolarHBondContact O-N 3.03Å; C20-N22 PolarHBondContact O-N 2.94Å |
| 21 | L | 46.8 | Very low | 49.2 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -74.6 | 102.7 | 162.1 | -119.1 | 175 | 0 | 0 | 0 | 106.5 | S19 E23 | S19-L21 PolarHBondContact O-N 2.82Å; L21-E23 PolarHBondContact O-N 3.17Å |
| 22 | N | 42.6 | Very low | 49.3 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | | | trans | -22.5 | 118.6 | 166.8 | -169 | 38.3 | 0 | 0 | 0 | 114.6 | C20 D24 | C20-N22 PolarHBondContact O-N 2.94Å; N22-D24 VanDerWaalsContact C-N 3.31Å; N22-D24 PolarHBondContact ND2-OD2 3.08Å; N22-D24 PolarHBondContact O-N 3.12Å; N22-D24 VanDerWaalsContact O-N 3.1Å |
| 23 | E | 46.4 | Very low | 49.6 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -77.1 | 79.9 | 165.7 | -60 | -164.1 | 119.1 | 0 | 0 | 109.2 | L21 A25 | L21-E23 PolarHBondContact O-N 3.17Å; E23-A25 VanDerWaalsContact C-N 3.31Å; E23-A25 PolarHBondContact O-N 2.93Å; E23-A25 VanDerWaalsContact O-N 3.16Å |
| 24 | D | 50.4 | Low | 49.9 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | -87.4 | 74.6 | 174.1 | -131.5 | -46.7 | 0 | 0 | 0 | 109.9 | N22 | N22-D24 VanDerWaalsContact C-N 3.31Å; N22-D24 PolarHBondContact ND2-OD2 3.08Å; N22-D24 PolarHBondContact O-N 3.12Å; N22-D24 VanDerWaalsContact O-N 3.1Å |
| 25 | A | 52.6 | Low | 50.2 | Low | 74 Ų | 74 | 145.5 Ų | 145.5 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | | | trans | -151.5 | 52.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E23 | E23-A25 VanDerWaalsContact C-N 3.31Å; E23-A25 PolarHBondContact O-N 2.93Å; E23-A25 VanDerWaalsContact O-N 3.16Å |
| 26 | M | 47 | Very low | 49.9 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -152.4 | 115.4 | 160.6 | -72.2 | -54.8 | 163.6 | 0 | 0 | 113.4 | | |
| 27 | R | 52.3 | Low | 49.7 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 70% | 0.698 | 78% | 0.779 | S | S | * | * | | | trans | 56.8 | 93.1 | 152.5 | -72.8 | -154.4 | 65.4 | -168 | -7.7 | 119.5 | A29 D30 | R27-A29 PolarHBondContact NH2-O 2.72Å; R27-D30 IonicContact NH2-OD2 3.12Å; R27-D30 PolarHBondContact NH2-OD2 3.44Å; R27-D30 VanDerWaalsContact NH2-OD2 3.12Å |
| 28 | A | 46.6 | Very low | 49.5 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 96% | 0.959 | 78% | 0.781 | S | S | * | * | | | trans | -105.6 | 57.8 | 154 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 29 | A | 50.3 | Low | 49.5 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 56% | 0.562 | 78% | 0.78 | S | S | * | * | | | trans | -131 | 64.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | R27 | R27-A29 PolarHBondContact NH2-O 2.72Š|
| 30 | D | 52.1 | Low | 49.6 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | -171 | 37.5 | 166.8 | -116.9 | -24.7 | 0 | 0 | 0 | 114.1 | R27 | R27-D30 IonicContact NH2-OD2 3.12Å; R27-D30 PolarHBondContact NH2-OD2 3.44Å; R27-D30 VanDerWaalsContact NH2-OD2 3.12Å |
| 31 | Q | 50.1 | Low | 49.9 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -101.4 | 32.5 | 178.4 | -152.2 | -175.9 | 0.9 | 0 | 0 | 113.1 | | |
| 32 | F | 49.4 | Very low | 49.7 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -128 | 72.1 | 168 | -85.7 | -83.3 | 0 | 0 | 0 | 108.5 | | |
| 33 | D | 51.2 | Low | 49.8 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -174.6 | 74.4 | 157.1 | -92.4 | -30.8 | 0 | 0 | 0 | 110.9 | | |
| 34 | I | 54.2 | Low | 49.5 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -134.4 | 63.5 | 158 | -47.7 | 179.8 | 0 | 0 | 0 | 108.6 | | |
| 35 | Y | 49.3 | Very low | 49.5 | Very low | 219 Ų | 219 | 150.6 Ų | 150.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -109.3 | 88.1 | 146.4 | -164.3 | -94.4 | 0 | 0 | 0 | 107.4 | | |
| 36 | S | 49.6 | Very low | 49.6 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -132.1 | 106 | 161 | -170.1 | 0 | 0 | 0 | 0 | 107.9 | Q38 | S36-Q38 PolarHBondContact O-N 3.06Š|
| 37 | S | 51.5 | Low | 49.5 | Very low | 80 Ų | 80 | 150.2 Ų | 150.2 | 56% | 0.559 | 78% | 0.782 | S | S | * | * | | | trans | -61.6 | 98.8 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | Q39 | S37-Q39 PolarHBondContact O-N 2.96Š|
| 38 | Q | 49.8 | Very low | 49.3 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -78.1 | 113.5 | 163.4 | -76.8 | -164.8 | 62.8 | 0 | 0 | 109.4 | S36 | S36-Q38 PolarHBondContact O-N 3.06Š|
| 39 | Q | 49.6 | Very low | 49.8 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -73.6 | 143.4 | -177.7 | -60.3 | 172.4 | 15.5 | 0 | 0 | 110.7 | S37 | S37-Q39 PolarHBondContact O-N 2.96Š|
| 40 | S | 50.8 | Low | 50 | Low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | 61.1 | 90.2 | 136.7 | -165.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 41 | K | 54.7 | Low | 49.9 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -149.5 | 132.7 | 136.1 | -53.4 | -175 | -172.1 | 176.6 | 0 | 106.8 | | |
| 42 | Y | 42.5 | Very low | 49.6 | Very low | 219 Ų | 219 | 152.7 Ų | 152.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | 88.3 | 80.6 | -174.8 | -56.1 | -79.3 | 0 | 0 | 0 | 115.9 | H44 | Y42-H44 PolarHBondContact O-N 3.49Š|
| 43 | S | 44.6 | Very low | 49.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -55.5 | 113.7 | 159.1 | -49.9 | 0 | 0 | 0 | 0 | 111 | | |
| 44 | H | 40.8 | Very low | 49.2 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -127.5 | 114.4 | 147 | -70.7 | -52.5 | 0 | 0 | 0 | 108 | Y42 V46 | Y42-H44 PolarHBondContact O-N 3.49Å; H44-V46 PolarHBondContact O-N 3.1Å |
| 45 | T | 50.6 | Low | 48.9 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | | | trans | -67.2 | 93.1 | 175.1 | 52.2 | 0 | 0 | 0 | 0 | 109 | | |
| 46 | V | 53.7 | Low | 48.7 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 61% | 0.606 | 79% | 0.787 | S | S | * | * | | | trans | -101.7 | 101.3 | 161.5 | -126.9 | 0 | 0 | 0 | 0 | 106.6 | H44 H48 | H44-V46 PolarHBondContact O-N 3.1Å; V46-H48 WeakPolarHBondContact CB-NE2 3.33Å; V46-H48 PolarHBondContact O-N 3.16Å |
| 47 | N | 46 | Very low | 48.1 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 80.7 | 173.2 | -167.8 | 15.3 | 0 | 0 | 0 | 108.5 | K49 | N47-K49 PolarHBondContact O-N 3.47Å; N47-K49 VanDerWaalsContact O-N 3.07Å |
| 48 | H | 48.6 | Very low | 48.1 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | | | trans | -76.9 | 93.3 | 173.7 | -68.3 | -61 | 0 | 0 | 0 | 108.2 | V46 | V46-H48 WeakPolarHBondContact CB-NE2 3.33Å; V46-H48 PolarHBondContact O-N 3.16Å |
| 49 | K | 55.5 | Low | 47.7 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -54.2 | 130.4 | 158 | -55.3 | -172.4 | -177.7 | -172.9 | 0 | 107 | N47 M51 | N47-K49 PolarHBondContact O-N 3.47Å; N47-K49 VanDerWaalsContact O-N 3.07Å; K49-M51 PolarHBondContact O-N 3.05Å |
| 50 | P | 56.5 | Low | 47.4 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -61.7 | 108.7 | 171.8 | 25 | -31.5 | 0 | 0 | 0 | 107.7 | V52 | P50-V52 PolarHBondContact O-N 3.02Å; P50-V52 VanDerWaalsContact O-N 3.08Å |
| 51 | M | 49.3 | Very low | 46.7 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -67.5 | 107.6 | 169.2 | -74.6 | -71.8 | -175.8 | 0 | 0 | 106.7 | K49 C53 | K49-M51 PolarHBondContact O-N 3.05Å; M51-C53 PolarHBondContact O-N 3.06Å |
| 52 | V | 43.7 | Very low | 46.3 | Very low | 132 Ų | 132 | 153.6 Ų | 153.6 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -59.4 | 116.6 | 170.4 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | P50 Q54 | P50-V52 PolarHBondContact O-N 3.02Å; P50-V52 VanDerWaalsContact O-N 3.08Å; V52-Q54 PolarHBondContact O-N 3.13Å |
| 53 | C | 43.6 | Very low | 46.3 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -57.3 | 102.4 | 165.5 | -81.8 | 0 | 0 | 0 | 0 | 108.3 | M51 R55 | M51-C53 PolarHBondContact O-N 3.06Å; C53-R55 VanDerWaalsContact C-N 3.35Å; C53-R55 PolarHBondContact O-N 3.4Å |
| 54 | Q | 48.4 | Very low | 46.5 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -71.3 | 96.9 | 170.3 | -160.9 | 167.1 | 6.7 | 0 | 0 | 107.5 | V52 Q56 | V52-Q54 PolarHBondContact O-N 3.13Å; Q54-Q56 PolarHBondContact O-N 3.42Å |
| 55 | R | 48.4 | Very low | 46.5 | Very low | 224 Ų | 224 | 150.9 Ų | 150.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -58.6 | 130.5 | 163.4 | -73.1 | -129.3 | 169.9 | 160.5 | -2.6 | 107.4 | C53 D57 | C53-R55 VanDerWaalsContact C-N 3.35Å; C53-R55 PolarHBondContact O-N 3.4Å; R55-D57 PolarHBondContact O-N 3.25Å |
| 56 | Q | 44.6 | Very low | 45.9 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -62.5 | 108 | 169.4 | -96.1 | -178.3 | -19.7 | 0 | 0 | 108.1 | Q54 | Q54-Q56 PolarHBondContact O-N 3.42Š|
| 57 | D | 36.9 | Very low | 45.4 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -76.5 | 143.1 | 162.9 | -97 | -39.6 | 0 | 0 | 0 | 110.1 | R55 L59 | R55-D57 PolarHBondContact O-N 3.25Å; D57-L59 PolarHBondContact O-N 3.22Å |
| 58 | P | 51.3 | Low | 45.1 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | trans | -94.3 | 95.3 | -176.8 | 35.1 | -28.5 | 0 | 0 | 0 | 110.5 | | |
| 59 | L | 42.2 | Very low | 45 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -141.7 | 98.8 | 164.3 | -75.2 | 179.4 | 0 | 0 | 0 | 111.9 | D57 E61 | D57-L59 PolarHBondContact O-N 3.22Å; L59-E61 PolarHBondContact O-N 2.84Å |
| 60 | N | 43.3 | Very low | 44.2 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | 4.4 | 104 | 135.3 | -148.4 | 10.8 | 0 | 0 | 0 | 115.7 | | |
| 61 | E | 35.3 | Very low | 43.6 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -139.3 | 114.5 | 153.2 | -153.1 | -172.2 | 170.5 | 0 | 0 | 110.1 | L59 H63 | L59-E61 PolarHBondContact O-N 2.84Å; E61-H63 PolarHBondContact O-N 2.92Å; E61-H63 VanDerWaalsContact O-N 3.13Å |
| 62 | T | 47.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | | | trans | -72.1 | 93.7 | -177.9 | -43.7 | 0 | 0 | 0 | 0 | 109.8 | L64 | T62-L64 VanDerWaalsContact C-N 3.3Å; T62-L64 HydrophobicContact CG2-CD2 3.97Å; T62-L64 HydrophobicContact CG2-CG 3.8Å; T62-L64 PolarHBondContact O-N 3.27Å |
| 63 | H | 42.2 | Very low | 43.3 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | -80 | 85.2 | 164.1 | -165.5 | 76.2 | 0 | 0 | 0 | 109.6 | E61 Q65 | E61-H63 PolarHBondContact O-N 2.92Å; E61-H63 VanDerWaalsContact O-N 3.13Å; H63-Q65 VanDerWaalsContact NE2-CG 3.33Å; H63-Q65 WeakPolarHBondContact NE2-CG 3.07Å; H63-Q65 PolarHBondContact NE2-NE2 2.88Å; H63-Q65 PolarHBondContact O-N 3.44Å |
| 64 | L | 48.5 | Very low | 43.9 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | | | trans | -63.6 | 100.2 | 165.3 | -68.5 | 172 | 0 | 0 | 0 | 108.7 | T62 | T62-L64 VanDerWaalsContact C-N 3.3Å; T62-L64 HydrophobicContact CG2-CD2 3.97Å; T62-L64 HydrophobicContact CG2-CG 3.8Å; T62-L64 PolarHBondContact O-N 3.27Å |
| 65 | Q | 40.2 | Very low | 43.4 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -105.3 | 85.7 | 155.7 | -94.9 | 177.4 | 1.6 | 0 | 0 | 109.5 | H63 T67 | H63-Q65 VanDerWaalsContact NE2-CG 3.33Å; H63-Q65 WeakPolarHBondContact NE2-CG 3.07Å; H63-Q65 PolarHBondContact NE2-NE2 2.88Å; H63-Q65 PolarHBondContact O-N 3.44Å; Q65-T67 PolarHBondContact O-N 3.33Å |
| 66 | T | 37.6 | Very low | 43.5 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | trans | -70.8 | 102.2 | 162.1 | -17.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 67 | T | 44.1 | Very low | 43.4 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -134.2 | 104.8 | 151.7 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | Q65 | Q65-T67 PolarHBondContact O-N 3.33Š|
| 68 | S | 39.6 | Very low | 44.3 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 60.5 | 100.2 | 149.2 | -177 | 0 | 0 | 0 | 0 | 117 | | |
| 69 | G | 45.7 | Very low | 44.3 | Very low | 66 Ų | 66 | 148.5 Ų | 148.5 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | | | trans | -60.3 | 155.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | R | 38.5 | Very low | 44.7 | Very low | 229 Ų | 229 | 150.5 Ų | 150.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | | -150.6 | 112.3 | 124.3 | -99.2 | 173 | -162.5 | 137.2 | 3.4 | 107.9 | I72 | R70-I72 HydrophobicContact CB-CG1 4.45Å; R70-I72 PolarHBondContact O-N 3.17Å |
| 71 | S | 43.8 | Very low | 45.4 | Very low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -44.3 | 120.8 | 149.4 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 72 | I | 49.9 | Very low | 46.5 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -139.1 | 82.7 | 157 | -48 | 175 | 0 | 0 | 0 | 105.7 | R70 | R70-I72 HydrophobicContact CB-CG1 4.45Å; R70-I72 PolarHBondContact O-N 3.17Å |
| 73 | E | 38.4 | Very low | 46.9 | Very low | 152 Ų | 152 | 152.5 Ų | 152.5 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | | | | 16.2 | 124 | 126.2 | -60.9 | 175.4 | -169.7 | 0 | 0 | 116.2 | K75 | E73-K75 PolarHBondContact O-N 3.26Š|
| 74 | I | 55 | Low | 47.5 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | 9.1 | 98.4 | 143.2 | -50.9 | 170.5 | 0 | 0 | 0 | 113.7 | | |
| 75 | K | 38.1 | Very low | 47.8 | Very low | 208 Ų | 208 | 154.8 Ų | 154.8 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | trans | -135.7 | 93 | 147.3 | -120.9 | 175.6 | -177 | 175.3 | 0 | 109.3 | E73 | E73-K75 PolarHBondContact O-N 3.26Š|
| 76 | D | 49.8 | Very low | 48.6 | Very low | 131 Ų | 131 | 158 Ų | 158 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -37.9 | 162.7 | 147.9 | -131.3 | -53.4 | 0 | 0 | 0 | 112.3 | | |
| 77 | E | 42.4 | Very low | 49.7 | Very low | 154 Ų | 154 | 156.7 Ų | 156.7 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | 93.5 | 119.5 | 159.8 | -61.9 | -91.2 | 103.4 | 0 | 0 | 119.7 | | |
| 78 | L | 56.6 | Low | 50.6 | Low | 135 Ų | 135 | 153.7 Ų | 153.7 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 78.1 | 82.2 | 146.3 | -90.2 | 71.8 | 0 | 0 | 0 | 118.7 | | |
| 79 | K | 50.7 | Low | 51.8 | Low | 215 Ų | 215 | 158.3 Ų | 158.3 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | S | Bend | | -176.2 | 21.4 | 121 | -100.3 | 176.7 | -168.2 | -176.9 | 0 | 117.1 | | |
| 80 | K | 52.4 | Low | 52.8 | Low | 206 Ų | 206 | 166.9 Ų | 166.9 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -109.2 | 51.2 | 172.9 | -149.5 | 172.8 | -175.4 | 171.2 | 0 | 113.8 | K82 | K80-K82 VanDerWaalsContact C-N 3.27Å; K80-K82 PolarHBondContact O-N 3.2Å |
| 81 | K | 57 | Low | 54.3 | Low | 209 Ų | 209 | 159.5 Ų | 159.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 75.1 | 164.5 | -75.1 | -169.2 | 179.4 | 175.4 | 0 | 110.5 | | |
| 82 | K | 58.8 | Low | 55.6 | Low | 169 Ų | 169 | 162.5 Ų | 162.5 | 74% | 0.735 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -157.2 | 117.5 | 149.6 | -147 | 176.4 | 173.8 | 171 | 0 | 109.7 | K80 | K80-K82 VanDerWaalsContact C-N 3.27Å; K80-K82 PolarHBondContact O-N 3.2Å |
| 83 | N | 54.6 | Low | 56.6 | Low | 108 Ų | 108 | 160 Ų | 160 | 58% | 0.578 | 78% | 0.783 | S | S | * | * | | | trans | 91.5 | 34.1 | 162.3 | -42.2 | -63.9 | 0 | 0 | 0 | 119.8 | N85 | N83-N85 PolarHBondContact O-N 2.84Š|
| 84 | L | 56.3 | Low | 57.9 | Low | 169 Ų | 169 | 158 Ų | 158 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 7.5 | 163.9 | -154.7 | 67.6 | 0 | 0 | 0 | 113.6 | | |
| 85 | N | 54.9 | Low | 58.6 | Low | 161 Ų | 161 | 151.8 Ų | 151.8 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 8.3 | -170.5 | -70.6 | -31.5 | 0 | 0 | 0 | 115.5 | N83 | N83-N85 PolarHBondContact O-N 2.84Š|
| 86 | R | 57.1 | Low | 60.1 | Low | 223 Ų | 223 | 143.6 Ų | 143.6 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -103.9 | -9.1 | 177.7 | -80.2 | -172.8 | 180 | 121.6 | -1 | 115.6 | | |
| 87 | S | 59.3 | Low | 61 | Low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.7 | 48.5 | -177.7 | -176.6 | 0 | 0 | 0 | 0 | 112 | | |
| 88 | G | 64.1 | Low | 62.1 | Low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -138.7 | -5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 89 | K | 63.7 | Low | 62.7 | Low | 209 Ų | 209 | 138.2 Ų | 138.2 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -136.9 | -9 | -177.1 | -69.8 | -166.7 | 177.2 | -175.3 | 0 | 117 | | |
| 90 | R | 66.7 | Low | 63.7 | Low | 246 Ų | 246 | 130.5 Ų | 130.5 | 93% | 0.928 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -144.5 | 110.7 | 167.2 | -71.7 | -175.3 | -71.1 | -165.8 | -1.4 | 107.4 | | |
| 91 | G | 69.9 | Low | 64.9 | Low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 142.5 | 160.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 92 | R | 71.6 | Confident | 65.9 | Low | 165 Ų | 165 | 122.1 Ų | 122.1 | 62% | 0.623 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -48.9 | 139.8 | 175.9 | -162.5 | 178 | -179.4 | -156.4 | -5.1 | 110.6 | S94 T96 T97 | R92-S94 PolarHBondContact O-N 3.34Å; R92-T96 WeakPolarHBondContact CD-OG1 3.34Å; R92-T96 HydrophobicContact CG-CG2 4.15Å; R92-T96 VanDerWaalsContact CG-OG1 3.24Å; R92-T96 WeakPolarHBondContact CG-OG1 3.09Å; R92-T96 VanDerWaalsContact CZ-OG1 3.25Å; R92-T96 PolarHBondContact NE-OG1 3.44Å; R92-T97 PolarHBondContact NH1-OG1 3.15Å; R92-T97 VanDerWaalsContact NH1-OG1 3.08Å |
| 93 | P | 71.2 | Confident | 66.6 | Low | 93 Ų | 93 | 126 Ų | 126 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 139.8 | -178.4 | 2.5 | -11 | 0 | 0 | 0 | 111.7 | G95 T96 | P93-G95 PolarHBondContact O-N 2.87Å; P93-T96 HydrophobicContact CB-CG2 4.02Å; P93-T96 HydrophobicContact CG-CG2 3.65Å; P93-T96 WeakPolarHBondContact O-CG2 3.41Å; P93-T96 PolarHBondContact O-N 3.49Å; P93-T96 PolarHBondContact O-OG1 3.35Å |
| 94 | S | 66.6 | Low | 67.3 | Low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 124.6 | 179.3 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | R92 | R92-S94 PolarHBondContact O-N 3.34Š|
| 95 | G | 69.3 | Low | 67.9 | Low | 37 Ų | 37 | 121.2 Ų | 121.2 | 38% | 0.381 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 102.4 | -11.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P93 T97 K98 S99 | P93-G95 PolarHBondContact O-N 2.87Å; G95-T97 PolarHBondContact O-N 3.45Å; G95-T97 VanDerWaalsContact O-N 3.12Å; G95-K98 PolarHBondContact O-N 3.41Å; G95-S99 WeakPolarHBondContact O-CB 3.42Å; G95-S99 PolarHBondContact O-N 3.16Å; G95-S99 PolarHBondContact O-OG 2.71Å; G95-S99 VanDerWaalsContact O-OG 3.06Å |
| 96 | T | 68.9 | Low | 68.4 | Low | 36 Ų | 36 | 119.7 Ų | 119.7 | 22% | 0.221 | 66% | 0.659 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -26.9 | -176.3 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | R92 P93 S99 A100 | R92-T96 WeakPolarHBondContact CD-OG1 3.34Å; R92-T96 HydrophobicContact CG-CG2 4.15Å; R92-T96 VanDerWaalsContact CG-OG1 3.24Å; R92-T96 WeakPolarHBondContact CG-OG1 3.09Å; R92-T96 VanDerWaalsContact CZ-OG1 3.25Å; R92-T96 PolarHBondContact NE-OG1 3.44Å; P93-T96 HydrophobicContact CB-CG2 4.02Å; P93-T96 HydrophobicContact CG-CG2 3.65Å; P93-T96 WeakPolarHBondContact O-CG2 3.41Å; P93-T96 PolarHBondContact O-N 3.49Å; P93-T96 PolarHBondContact O-OG1 3.35Å; T96-S99 PolarHBondContact O-OG 2.96Å; T96-A100 WeakPolarHBondContact O-CB 3.43Å |
| 97 | T | 68.5 | Low | 69.1 | Low | 40 Ų | 40 | 111.6 Ų | 111.6 | 25% | 0.245 | 65% | 0.645 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -33.3 | 176.7 | -46.2 | 0 | 0 | 0 | 0 | 111.6 | R92 G95 Y102 T104 | R92-T97 PolarHBondContact NH1-OG1 3.15Å; R92-T97 VanDerWaalsContact NH1-OG1 3.08Å; G95-T97 PolarHBondContact O-N 3.45Å; G95-T97 VanDerWaalsContact O-N 3.12Å; T97-Y102 PolarHBondContact O-N 2.71Å; T97-T104 HydrophobicContact CG2-CG2 3.36Å |
| 98 | K | 66.3 | Low | 69.7 | Low | 163 Ų | 163 | 115.4 Ų | 115.4 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -39.9 | 179.1 | -62.8 | -176 | -169 | 178.7 | 0 | 111.6 | G95 A100 G101 | G95-K98 PolarHBondContact O-N 3.41Å; K98-A100 PolarHBondContact O-N 3.19Å; K98-G101 PolarHBondContact O-N 3.39Å |
| 99 | S | 68.4 | Low | 70.3 | Confident | 103 Ų | 103 | 116.3 Ų | 116.3 | 72% | 0.72 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -24.8 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | G95 T96 G101 | G95-S99 WeakPolarHBondContact O-CB 3.42Å; G95-S99 PolarHBondContact O-N 3.16Å; G95-S99 PolarHBondContact O-OG 2.71Å; G95-S99 VanDerWaalsContact O-OG 3.06Å; T96-S99 PolarHBondContact O-OG 2.96Å; S99-G101 VanDerWaalsContact C-N 3.33Å |
| 100 | A | 72.8 | Confident | 70.7 | Confident | 53 Ų | 53 | 115.2 Ų | 115.2 | 44% | 0.438 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | 9.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | T96 K98 Y102 | T96-A100 WeakPolarHBondContact O-CB 3.43Å; K98-A100 PolarHBondContact O-N 3.19Å; A100-Y102 HydrophobicContact CB-CD2 3.68Å; A100-Y102 HydrophobicContact CB-CE2 3.9Å; A100-Y102 WeakPolarHBondContact O-CD2 3.38Å; A100-Y102 PolarHBondContact O-N 2.81Å |
| 101 | G | 76.4 | Confident | 71.1 | Confident | 71 Ų | 71 | 106 Ų | 106 | 73% | 0.732 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.4 | 1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K98 S99 | K98-G101 PolarHBondContact O-N 3.39Å; S99-G101 VanDerWaalsContact C-N 3.33Å |
| 102 | Y | 78.6 | Confident | 71.2 | Confident | 169 Ų | 169 | 104.6 Ų | 104.6 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | | | trans | -78.6 | 136.6 | 179.7 | -66.1 | -73.8 | 0 | 0 | 0 | 111.7 | T97 A100 T104 | T97-Y102 PolarHBondContact O-N 2.71Å; A100-Y102 HydrophobicContact CB-CD2 3.68Å; A100-Y102 HydrophobicContact CB-CE2 3.9Å; A100-Y102 WeakPolarHBondContact O-CD2 3.38Å; A100-Y102 PolarHBondContact O-N 2.81Å; Y102-T104 PolarHBondContact O-N 3.09Å; Y102-T104 VanDerWaalsContact O-N 3.09Å |
| 103 | R | 73.4 | Confident | 71.1 | Confident | 249 Ų | 249 | 99.5 Ų | 99.5 | 94% | 0.94 | 59% | 0.586 | S | S | * | * | | | trans | -68.7 | 104.7 | 168.9 | -72.5 | -174.5 | 158.9 | -164.5 | -5.2 | 109.1 | S105 | R103-S105 PolarHBondContact O-N 3.18Š|
| 104 | T | 69.4 | Low | 70.8 | Confident | 67 Ų | 67 | 103.7 Ų | 103.7 | 41% | 0.411 | 60% | 0.595 | S | S | . | * | | | trans | -65.1 | 116.6 | 163.4 | 52.5 | 0 | 0 | 0 | 0 | 107.3 | T97 Y102 T106 | T97-T104 HydrophobicContact CG2-CG2 3.36Å; Y102-T104 PolarHBondContact O-N 3.09Å; Y102-T104 VanDerWaalsContact O-N 3.09Å; T104-T106 PolarHBondContact O-N 3.19Å; T104-T106 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 69 | Low | 71 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | | | trans | -54.4 | 126.3 | 162.2 | 58.1 | 0 | 0 | 0 | 0 | 106.4 | R103 G107 | R103-S105 PolarHBondContact O-N 3.18Å; S105-G107 PolarHBondContact O-N 3.31Å |
| 106 | T | 64.6 | Low | 71.1 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 80% | 0.798 | 61% | 0.605 | S | S | * | * | | | trans | -69.7 | 18.4 | -176.7 | 42.4 | 0 | 0 | 0 | 0 | 112.4 | T104 | T104-T106 PolarHBondContact O-N 3.19Å; T104-T106 VanDerWaalsContact O-N 3.15Å |
| 107 | G | 72.6 | Confident | 71.4 | Confident | 53 Ų | 53 | 105.6 Ų | 105.6 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | | | trans | 61 | -158 | -165 | 0 | 0 | 0 | 0 | 0 | 111.1 | S105 | S105-G107 PolarHBondContact O-N 3.31Š|
| 108 | R | 72.9 | Confident | 71.8 | Confident | 178 Ų | 178 | 110.2 Ų | 110.2 | 67% | 0.672 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -71.8 | 136.9 | 167 | -65.7 | 178.5 | 175.7 | -107.7 | -0.7 | 108.2 | L110 T112 | R108-L110 PolarHBondContact O-N 3.32Å; R108-T112 WeakPolarHBondContact CB-OG1 3.42Å |
| 109 | P | 75.7 | Confident | 72.4 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 56% | 0.558 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141.2 | -179.9 | -12.4 | 17.7 | 0 | 0 | 0 | 110.5 | G111 T112 | P109-G111 PolarHBondContact O-N 2.86Å; P109-G111 VanDerWaalsContact O-N 3.16Å; P109-T112 HydrophobicContact CB-CG2 3.67Å; P109-T112 HydrophobicContact CG-CG2 3.59Å; P109-T112 WeakPolarHBondContact O-CB 3.38Å; P109-T112 WeakPolarHBondContact O-CG2 3.45Å; P109-T112 PolarHBondContact O-N 3.25Å; P109-T112 PolarHBondContact O-OG1 3.05Å |
| 110 | L | 72.1 | Confident | 72.6 | Confident | 186 Ų | 186 | 111.9 Ų | 111.9 | 97% | 0.974 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | 125 | 178.9 | -69.7 | 171.8 | 0 | 0 | 0 | 109.3 | R108 | R108-L110 PolarHBondContact O-N 3.32Š|
| 111 | G | 75.1 | Confident | 72.6 | Confident | 51 Ų | 51 | 114 Ų | 114 | 53% | 0.526 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 96.6 | -17.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P109 T113 K114 A115 | P109-G111 PolarHBondContact O-N 2.86Å; P109-G111 VanDerWaalsContact O-N 3.16Å; G111-T113 PolarHBondContact O-N 3.37Å; G111-K114 PolarHBondContact O-N 3.08Å; G111-A115 WeakPolarHBondContact O-CB 3.41Å; G111-A115 PolarHBondContact O-N 3.05Å |
| 112 | T | 72.3 | Confident | 72.6 | Confident | 46 Ų | 46 | 117.2 Ų | 117.2 | 28% | 0.282 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.6 | -33.9 | -175.4 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | R108 P109 K114 A116 | R108-T112 WeakPolarHBondContact CB-OG1 3.42Å; P109-T112 HydrophobicContact CB-CG2 3.67Å; P109-T112 HydrophobicContact CG-CG2 3.59Å; P109-T112 WeakPolarHBondContact O-CB 3.38Å; P109-T112 WeakPolarHBondContact O-CG2 3.45Å; P109-T112 PolarHBondContact O-N 3.25Å; P109-T112 PolarHBondContact O-OG1 3.05Å; T112-K114 PolarHBondContact O-N 3.4Å; T112-A116 WeakPolarHBondContact O-CB 3.47Å; T112-A116 PolarHBondContact O-N 3.2Å |
| 113 | T | 69.4 | Low | 72.5 | Confident | 58 Ų | 58 | 111.5 Ų | 111.5 | 36% | 0.356 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.9 | -41 | 178.9 | -45.3 | 0 | 0 | 0 | 0 | 112 | G111 F118 T120 | G111-T113 PolarHBondContact O-N 3.37Å; T113-F118 HydrophobicContact CG2-CB 3.99Å; T113-F118 WeakPolarHBondContact O-CB 3.1Å; T113-F118 PolarHBondContact O-N 3.37Å; T113-T120 HydrophobicContact CG2-CG2 3.68Å |
| 114 | K | 64.6 | Low | 72.8 | Confident | 182 Ų | 182 | 106.8 Ų | 106.8 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.3 | -35.9 | 179.4 | -165.7 | 177.4 | -179.6 | -176.3 | 0 | 111.6 | G111 T112 G117 | G111-K114 PolarHBondContact O-N 3.08Å; T112-K114 PolarHBondContact O-N 3.4Å; K114-G117 PolarHBondContact O-N 2.82Å |
| 115 | A | 70.4 | Confident | 73.2 | Confident | 89 Ų | 89 | 107.8 Ų | 107.8 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.2 | -33.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | G111 G117 | G111-A115 WeakPolarHBondContact O-CB 3.41Å; G111-A115 PolarHBondContact O-N 3.05Å; A115-G117 PolarHBondContact O-N 3.35Å |
| 116 | A | 71.8 | Confident | 73.4 | Confident | 74 Ų | 74 | 111.2 Ų | 111.2 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 10.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T112 F118 | T112-A116 WeakPolarHBondContact O-CB 3.47Å; T112-A116 PolarHBondContact O-N 3.2Å; A116-F118 PolarHBondContact O-N 3.35Å; A116-F118 VanDerWaalsContact O-N 3.17Å |
| 117 | G | 75.2 | Confident | 73.9 | Confident | 59 Ų | 59 | 107.5 Ų | 107.5 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 11.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K114 A115 K119 | K114-G117 PolarHBondContact O-N 2.82Å; A115-G117 PolarHBondContact O-N 3.35Å; G117-K119 PolarHBondContact O-N 3.35Å |
| 118 | F | 76.6 | Confident | 73.8 | Confident | 137 Ų | 137 | 107 Ų | 107 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | | | trans | -63.9 | 121.3 | 174.9 | -106.7 | -87.9 | 0 | 0 | 0 | 109.4 | T113 A116 T120 | T113-F118 HydrophobicContact CG2-CB 3.99Å; T113-F118 WeakPolarHBondContact O-CB 3.1Å; T113-F118 PolarHBondContact O-N 3.37Å; A116-F118 PolarHBondContact O-N 3.35Å; A116-F118 VanDerWaalsContact O-N 3.17Å; F118-T120 PolarHBondContact O-N 3.2Å |
| 119 | K | 79.1 | Confident | 73.6 | Confident | 207 Ų | 207 | 101 Ų | 101 | 90% | 0.9 | 61% | 0.61 | S | S | * | * | | | trans | -67.1 | 95.9 | 175.9 | -65.1 | -164.5 | -178.8 | -175.9 | 0 | 109.2 | G117 S121 | G117-K119 PolarHBondContact O-N 3.35Å; K119-S121 PolarHBondContact O-N 3.44Å |
| 120 | T | 72.1 | Confident | 73.1 | Confident | 94 Ų | 94 | 105 Ų | 105 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | | | trans | -71.4 | 123.6 | 160.5 | 56.3 | 0 | 0 | 0 | 0 | 106.6 | T113 F118 | T113-T120 HydrophobicContact CG2-CG2 3.68Å; F118-T120 PolarHBondContact O-N 3.2Å |
| 121 | S | 74.1 | Confident | 73.1 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | | | trans | -52.5 | 146.9 | 171.6 | 62.2 | 0 | 0 | 0 | 0 | 108.9 | K119 G123 | K119-S121 PolarHBondContact O-N 3.44Å; S121-G123 PolarHBondContact O-N 3.37Å |
| 122 | P | 75.6 | Confident | 73.1 | Confident | 139 Ų | 139 | 100.9 Ų | 100.9 | 90% | 0.903 | 61% | 0.606 | S | S | * | * | | | trans | -59.4 | 9.7 | 179.2 | -25.5 | 35 | 0 | 0 | 0 | 115.4 | | |
| 123 | G | 77 | Confident | 73.3 | Confident | 49 Ų | 49 | 101.8 Ų | 101.8 | 51% | 0.505 | 63% | 0.625 | S | S | . | * | | | trans | 66.6 | -179.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S121 | S121-G123 PolarHBondContact O-N 3.37Š|
| 124 | R | 78.6 | Confident | 73.7 | Confident | 150 Ų | 150 | 106.7 Ų | 106.7 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -81.1 | 130.8 | 169.9 | -173.6 | 162.6 | 179.1 | -88.3 | 5.4 | 108.3 | L126 T128 T129 | R124-L126 PolarHBondContact O-N 2.94Å; R124-T128 WeakPolarHBondContact CG-OG1 3.36Å; R124-T128 PolarHBondContact NE-OG1 3.22Å; R124-T128 PolarHBondContact NH1-OG1 3.13Å; R124-T128 PolarHBondContact NH2-OG1 2.99Å; R124-T129 VanDerWaalsContact CZ-OG1 3.26Å; R124-T129 PolarHBondContact NH1-OG1 3.01Å; R124-T129 VanDerWaalsContact NH2-N 3.17Å; R124-T129 PolarHBondContact NH2-OG1 2.72Å |
| 125 | P | 78.6 | Confident | 74.3 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.9 | -179.6 | -12.3 | 20.7 | 0 | 0 | 0 | 110.1 | G127 T128 | P125-G127 PolarHBondContact O-N 3.37Å; P125-T128 HydrophobicContact CB-CG2 3.71Å; P125-T128 HydrophobicContact CG-CG2 3.81Å; P125-T128 WeakPolarHBondContact O-CG2 3.24Å; P125-T128 PolarHBondContact O-N 3.06Å; P125-T128 PolarHBondContact O-OG1 3.12Å |
| 126 | L | 73.3 | Confident | 74.5 | Confident | 182 Ų | 182 | 107.9 Ų | 107.9 | 95% | 0.953 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 131.2 | 179.4 | -65.2 | 172.3 | 0 | 0 | 0 | 109.2 | R124 | R124-L126 PolarHBondContact O-N 2.94Š|
| 127 | G | 74.9 | Confident | 74.8 | Confident | 52 Ų | 52 | 109 Ų | 109 | 54% | 0.536 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90.9 | -7.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P125 T129 K130 A131 | P125-G127 PolarHBondContact O-N 3.37Å; G127-T129 VanDerWaalsContact C-N 3.28Å; G127-T129 PolarHBondContact O-N 3.37Å; G127-T129 VanDerWaalsContact O-N 3.13Å; G127-K130 PolarHBondContact O-N 2.97Å; G127-A131 WeakPolarHBondContact O-CB 3.34Å; G127-A131 PolarHBondContact O-N 3.28Å |
| 128 | T | 71 | Confident | 74.8 | Confident | 43 Ų | 43 | 112.2 Ų | 112.2 | 26% | 0.264 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61.1 | -24.3 | -175.6 | 43.8 | 0 | 0 | 0 | 0 | 115.5 | R124 P125 A132 | R124-T128 WeakPolarHBondContact CG-OG1 3.36Å; R124-T128 PolarHBondContact NE-OG1 3.22Å; R124-T128 PolarHBondContact NH1-OG1 3.13Å; R124-T128 PolarHBondContact NH2-OG1 2.99Å; P125-T128 HydrophobicContact CB-CG2 3.71Å; P125-T128 HydrophobicContact CG-CG2 3.81Å; P125-T128 WeakPolarHBondContact O-CG2 3.24Å; P125-T128 PolarHBondContact O-N 3.06Å; P125-T128 PolarHBondContact O-OG1 3.12Å; T128-A132 WeakPolarHBondContact O-CB 3.21Å; T128-A132 PolarHBondContact O-N 3.38Å |
| 129 | T | 68.1 | Low | 74.7 | Confident | 50 Ų | 50 | 108.3 Ų | 108.3 | 31% | 0.307 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -72.4 | -46.2 | 175.7 | -48.4 | 0 | 0 | 0 | 0 | 112.2 | R124 G127 Y134 V136 | R124-T129 VanDerWaalsContact CZ-OG1 3.26Å; R124-T129 PolarHBondContact NH1-OG1 3.01Å; R124-T129 VanDerWaalsContact NH2-N 3.17Å; R124-T129 PolarHBondContact NH2-OG1 2.72Å; G127-T129 VanDerWaalsContact C-N 3.28Å; G127-T129 PolarHBondContact O-N 3.37Å; G127-T129 VanDerWaalsContact O-N 3.13Å; T129-Y134 PolarHBondContact O-N 3.19Å; T129-V136 HydrophobicContact CG2-CG1 4.3Å; T129-V136 HydrophobicContact CG2-CG2 4.23Å |
| 130 | K | 64.5 | Low | 74.5 | Confident | 172 Ų | 172 | 109.4 Ų | 109.4 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.4 | -36.2 | -178.1 | -170.1 | 177.7 | 179.5 | -177.3 | 0 | 110.8 | G127 G133 V136 | G127-K130 PolarHBondContact O-N 2.97Å; K130-G133 PolarHBondContact O-N 3.23Å; K130-V136 HydrophobicContact CB-CG2 4.2Å |
| 131 | A | 72.6 | Confident | 74.6 | Confident | 89 Ų | 89 | 109.9 Ų | 109.9 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.2 | -32.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | G127 G133 | G127-A131 WeakPolarHBondContact O-CB 3.34Å; G127-A131 PolarHBondContact O-N 3.28Å; A131-G133 PolarHBondContact O-N 3.26Å |
| 132 | A | 75.3 | Confident | 74.1 | Confident | 60 Ų | 60 | 111.1 Ų | 111.1 | 50% | 0.496 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | 13.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | T128 Y134 | T128-A132 WeakPolarHBondContact O-CB 3.21Å; T128-A132 PolarHBondContact O-N 3.38Å; A132-Y134 HydrophobicContact CB-CD2 3.72Å; A132-Y134 HydrophobicContact CB-CE2 3.78Å; A132-Y134 PolarHBondContact O-N 3.49Å |
| 133 | G | 76.8 | Confident | 73.2 | Confident | 65 Ų | 65 | 107.9 Ų | 107.9 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.9 | 4.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K130 A131 K135 | K130-G133 PolarHBondContact O-N 3.23Å; A131-G133 PolarHBondContact O-N 3.26Å; G133-K135 PolarHBondContact O-N 2.95Å |
| 134 | Y | 77.9 | Confident | 72 | Confident | 162 Ų | 162 | 114.9 Ų | 114.9 | 64% | 0.635 | 66% | 0.663 | S | S | * | * | | | trans | -68.2 | 132.5 | 174.3 | -67.2 | -78.4 | 0 | 0 | 0 | 110.6 | T129 A132 V136 | T129-Y134 PolarHBondContact O-N 3.19Å; A132-Y134 HydrophobicContact CB-CD2 3.72Å; A132-Y134 HydrophobicContact CB-CE2 3.78Å; A132-Y134 PolarHBondContact O-N 3.49Å; Y134-V136 PolarHBondContact O-N 3.48Å |
| 135 | K | 77.8 | Confident | 71.3 | Confident | 212 Ų | 212 | 117.2 Ų | 117.2 | 92% | 0.922 | 68% | 0.677 | S | S | * | * | | | trans | -64.7 | 101.7 | 172.4 | -68.2 | -170.9 | -179.3 | -176.6 | 0 | 109.1 | G133 | G133-K135 PolarHBondContact O-N 2.95Š|
| 136 | V | 74.8 | Confident | 70 | Confident | 83 Ų | 83 | 122 Ų | 122 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | | | trans | -81.3 | 126.4 | 169.1 | -136.1 | 0 | 0 | 0 | 0 | 106.6 | T129 K130 Y134 | T129-V136 HydrophobicContact CG2-CG1 4.3Å; T129-V136 HydrophobicContact CG2-CG2 4.23Å; K130-V136 HydrophobicContact CB-CG2 4.2Å; Y134-V136 PolarHBondContact O-N 3.48Å |
| 137 | S | 76.6 | Confident | 68.7 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | | | trans | -53.3 | 134.4 | 171.2 | 48.6 | 0 | 0 | 0 | 0 | 108.3 | G139 | S137-G139 PolarHBondContact O-N 2.85Š|
| 138 | P | 75.2 | Confident | 67.8 | Low | 127 Ų | 127 | 123.3 Ų | 123.3 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | | | trans | -55.7 | 109.6 | 166.8 | -15.6 | 28 | 0 | 0 | 0 | 104.8 | | |
| 139 | G | 75.4 | Confident | 66.7 | Low | 56 Ų | 56 | 131.2 Ų | 131.2 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | | | trans | -53.3 | 163.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111 | S137 P141 | S137-G139 PolarHBondContact O-N 2.85Å; G139-P141 WeakPolarHBondContact O-CD 3.43Å |
| 140 | R | 75.3 | Confident | 65.8 | Low | 230 Ų | 230 | 139.2 Ų | 139.2 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | -44.5 | 118.7 | -179.9 | -166.8 | 176.8 | -151.1 | -108.8 | 4.2 | 110.1 | | |
| 141 | P | 73.8 | Confident | 64.6 | Low | 103 Ų | 103 | 136.8 Ų | 136.8 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | trans | -52.3 | 135 | -179.9 | -25.7 | 31.7 | 0 | 0 | 0 | 109.8 | G139 G143 | G139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-G143 PolarHBondContact O-N 3.09Å; P141-G143 VanDerWaalsContact O-N 3.14Å |
| 142 | P | 64.4 | Low | 63.5 | Low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | | | trans | -56.9 | 123.9 | 177.1 | 20.3 | -28.6 | 0 | 0 | 0 | 108.8 | K144 | P142-K144 PolarHBondContact O-N 3.14Å; P142-K144 VanDerWaalsContact O-N 3.09Å |
| 143 | G | 55.1 | Low | 62.3 | Low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -56.5 | 112.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P141 | P141-G143 PolarHBondContact O-N 3.09Å; P141-G143 VanDerWaalsContact O-N 3.14Å |
| 144 | K | 51.6 | Low | 60.8 | Low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -84.8 | 130.8 | 148.3 | -51 | -164.2 | -173.3 | -165.5 | 0 | 105.7 | P142 | P142-K144 PolarHBondContact O-N 3.14Å; P142-K144 VanDerWaalsContact O-N 3.09Å |
| 145 | K | 64.8 | Low | 59 | Low | 199 Ų | 199 | 145.9 Ų | 145.9 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -59.5 | 142.4 | 169.6 | -64.5 | 175.3 | -174 | 174.4 | 0 | 107.1 | | |
| 146 | Q | 50.8 | Low | 58 | Low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | 81.4 | 132.3 | -176.5 | -51.7 | 154.7 | 4.7 | 0 | 0 | 112.2 | | |
| 147 | Q | 46 | Very low | 57.1 | Low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | | | cis | -151.6 | 154.3 | 27.3 | -168.9 | 171 | 26.8 | 0 | 0 | 107.4 | F149 | Q147-F149 PolarHBondContact O-N 3.14Å; Q147-F149 VanDerWaalsContact O-N 3.14Å |
| 148 | A | 57 | Low | 56.1 | Low | 84 Ų | 84 | 148.4 Ų | 148.4 | 69% | 0.694 | 84% | 0.838 | S | S | * | * | | | trans | -53.1 | 116.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R150 | A148-R150 VanDerWaalsContact C-N 3.31Å; A148-R150 PolarHBondContact O-N 3.42Å; A148-R150 VanDerWaalsContact O-N 3.07Å |
| 149 | F | 47.9 | Very low | 54.9 | Low | 209 Ų | 209 | 149.6 Ų | 149.6 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | | | trans | -74.4 | 93.8 | 158.5 | -86.7 | -88.7 | 0 | 0 | 0 | 106.8 | Q147 C151 | Q147-F149 PolarHBondContact O-N 3.14Å; Q147-F149 VanDerWaalsContact O-N 3.14Å; F149-C151 PolarHBondContact O-N 3.07Å |
| 150 | R | 48.2 | Very low | 53.7 | Low | 217 Ų | 217 | 155.5 Ų | 155.5 | 82% | 0.819 | 86% | 0.855 | S | S | * | * | | | trans | -61.9 | 123.1 | 158.2 | -70.6 | -83.7 | 174.4 | 166.5 | -3.2 | 106 | A148 S152 | A148-R150 VanDerWaalsContact C-N 3.31Å; A148-R150 PolarHBondContact O-N 3.42Å; A148-R150 VanDerWaalsContact O-N 3.07Å; R150-S152 PolarHBondContact O-N 3.3Å; R150-S152 VanDerWaalsContact O-N 3.11Å |
| 151 | C | 39.9 | Very low | 52.2 | Low | 121 Ų | 121 | 150.5 Ų | 150.5 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | | | trans | -63.4 | 109.5 | 165.4 | -61.2 | 0 | 0 | 0 | 0 | 107.1 | F149 S153 | F149-C151 PolarHBondContact O-N 3.07Å; C151-S153 PolarHBondContact O-N 3.11Å |
| 152 | S | 49.6 | Very low | 50.7 | Low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 87% | 0.868 | S | S | * | * | | | trans | -78 | 99.2 | 159.7 | -63 | 0 | 0 | 0 | 0 | 106.6 | R150 | R150-S152 PolarHBondContact O-N 3.3Å; R150-S152 VanDerWaalsContact O-N 3.11Å |
| 153 | S | 49.4 | Very low | 49.6 | Very low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 87% | 0.873 | S | S | * | * | | | trans | -84.9 | 96.3 | 159.1 | -66.2 | 0 | 0 | 0 | 0 | 106.8 | C151 | C151-S153 PolarHBondContact O-N 3.11Š|
| 154 | D | 45.6 | Very low | 49.2 | Very low | 162 Ų | 162 | 163.3 Ų | 163.3 | 87% | 0.866 | 88% | 0.883 | S | S | * | * | | | trans | -131.4 | 103.9 | 157.5 | -90.7 | -50.1 | 0 | 0 | 0 | 106.9 | | |
| 155 | A | 39.3 | Very low | 49 | Very low | 179 Ų | 179 | 160.4 Ų | 160.4 | 100% | 1.479 | 89% | 0.887 | S | S | * | * | | | trans | -155.2 | 0 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |