| 1 | M | 49 | Very low | 49.8 | Very low | 226 Ų | 226 | 133.5 Ų | 133.5 | 100% | 1.113 | 80% | 0.798 | S | S | * | * | | | | 0 | 91.1 | 0 | -81 | 70 | 134.4 | 0 | 0 | 108.9 | C3 | M1-C3 PolarHBondContact O-N 2.9Š|
| 2 | S | 39.4 | Very low | 49 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -93.5 | 92.1 | 171.9 | -60.8 | 0 | 0 | 0 | 0 | 107.5 | F4 | S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 VanDerWaalsContact O-N 3.09Å; S2-F4 PolarHBondContact O-N 3Å |
| 3 | C | 53.8 | Low | 49.3 | Very low | 124 Ų | 124 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -76 | 91 | 169.1 | -64.6 | 0 | 0 | 0 | 0 | 107.5 | M1 G5 | M1-C3 PolarHBondContact O-N 2.9Å; C3-G5 PolarHBondContact O-N 3.24Å; C3-G5 VanDerWaalsContact O-N 3.11Å |
| 4 | F | 54 | Low | 48.6 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -74 | 97.5 | 165.3 | -90 | -84.9 | 0 | 0 | 0 | 108.1 | S2 | S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 VanDerWaalsContact O-N 3.09Å; S2-F4 PolarHBondContact O-N 3Å |
| 5 | G | 65.1 | Low | 49.2 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | trans | -82.5 | 117.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | C3 | C3-G5 PolarHBondContact O-N 3.24Å; C3-G5 VanDerWaalsContact O-N 3.11Å |
| 6 | N | 48.3 | Very low | 49.2 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -156.5 | 142.1 | 148.6 | -137.7 | -91 | 0 | 0 | 0 | 113.5 | | |
| 7 | V | 39.3 | Very low | 49.1 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | 78.4 | 96.1 | 157.5 | 143.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 8 | A | 40.7 | Very low | 49.3 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | | | | 63.9 | 149.3 | 127.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 9 | P | 56.2 | Low | 49.6 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | -86.1 | 175.4 | -160.1 | 37 | -31.2 | 0 | 0 | 0 | 110.7 | | |
| 10 | L | 47.5 | Very low | 49.8 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | 109.9 | 88.9 | 167.6 | -51.5 | -175.2 | 0 | 0 | 0 | 114 | | |
| 11 | V | 54.1 | Low | 50.2 | Low | 114 Ų | 114 | 138 Ų | 138 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | 50.2 | 98.1 | 134.9 | -170 | 0 | 0 | 0 | 0 | 115.6 | | |
| 12 | F | 41 | Very low | 50.1 | Low | 187 Ų | 187 | 138.9 Ų | 138.9 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | | | | -160.5 | 134.1 | 120.2 | -89.5 | -69.3 | 0 | 0 | 0 | 110 | F14 | F12-F14 PolarHBondContact O-N 3.29Š|
| 13 | P | 52.3 | Low | 50.9 | Low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | -83.5 | 97 | 178.7 | 32.9 | -28.1 | 0 | 0 | 0 | 108.6 | Y15 | P13-Y15 PolarHBondContact O-N 3Å; P13-Y15 VanDerWaalsContact O-N 3.14Å |
| 14 | F | 39.3 | Very low | 50.6 | Low | 202 Ų | 202 | 143 Ų | 143 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | | | trans | -79.1 | 100 | 169.9 | -115.6 | -98.6 | 0 | 0 | 0 | 108.6 | F12 C16 | F12-F14 PolarHBondContact O-N 3.29Å; F14-C16 PolarHBondContact O-N 2.8Å |
| 15 | Y | 57.4 | Low | 50.5 | Low | 186 Ų | 186 | 142 Ų | 142 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | trans | -41 | 104 | 161.2 | -113.6 | -99.8 | 0 | 0 | 0 | 110.2 | P13 D18 | P13-Y15 PolarHBondContact O-N 3Å; P13-Y15 VanDerWaalsContact O-N 3.14Å; Y15-D18 HydrophobicContact CD1-CB 4.35Å; Y15-D18 HydrophobicContact CE1-CB 3.81Å |
| 16 | C | 50.5 | Low | 50.2 | Low | 119 Ų | 119 | 144.3 Ų | 144.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -151.2 | 88 | 151.5 | -150.9 | 0 | 0 | 0 | 0 | 106.8 | F14 | F14-C16 PolarHBondContact O-N 2.8Š|
| 17 | Q | 46.6 | Very low | 51.2 | Low | 153 Ų | 153 | 144.1 Ų | 144.1 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 143.3 | 22.3 | 150.6 | -143.3 | 70.9 | 75.3 | 0 | 0 | 115 | T19 | Q17-T19 VanDerWaalsContact O-N 3.16Å; Q17-T19 PolarHBondContact O-N 2.93Å; Q17-T19 VanDerWaalsContact C-N 3.27Å |
| 18 | D | 52.8 | Low | 52.3 | Low | 113 Ų | 113 | 144.4 Ų | 144.4 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | | | trans | -85.3 | 37.6 | 178.9 | -110.5 | -43 | 0 | 0 | 0 | 115.2 | Y15 | Y15-D18 HydrophobicContact CD1-CB 4.35Å; Y15-D18 HydrophobicContact CE1-CB 3.81Å |
| 19 | T | 55.5 | Low | 53.2 | Low | 99 Ų | 99 | 149 Ų | 149 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | | | trans | -150.8 | 61.1 | 170.4 | 41.5 | 0 | 0 | 0 | 0 | 112.9 | Q17 | Q17-T19 VanDerWaalsContact O-N 3.16Å; Q17-T19 PolarHBondContact O-N 2.93Å; Q17-T19 VanDerWaalsContact C-N 3.27Å |
| 20 | E | 53.7 | Low | 53.3 | Low | 129 Ų | 129 | 148.9 Ų | 148.9 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | | | trans | -134.1 | 46.7 | 145.4 | -68.1 | -59.9 | 152.6 | 0 | 0 | 109.3 | W22 R23 | E20-W22 PolarHBondContact O-N 3.17Å; E20-R23 WeakPolarHBondContact OE2-CG 3.01Å |
| 21 | I | 57.3 | Low | 53.8 | Low | 130 Ų | 130 | 147 Ų | 147 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 107.7 | 153.5 | 33.3 | 172.6 | 0 | 0 | 0 | 107.6 | | |
| 22 | W | 47 | Very low | 54.1 | Low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.92 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.1 | 37.9 | 163.1 | -58.1 | 105.6 | 0 | 0 | 0 | 121.3 | E20 | E20-W22 PolarHBondContact O-N 3.17Š|
| 23 | R | 56.2 | Low | 55.3 | Low | 198 Ų | 198 | 147 Ų | 147 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | trans | -101 | 125.5 | 163.9 | -67.2 | -77.3 | 172.9 | 78.4 | -4.3 | 111.1 | E20 | E20-R23 WeakPolarHBondContact OE2-CG 3.01Š|
| 24 | V | 48.6 | Very low | 55.5 | Low | 121 Ų | 121 | 147.8 Ų | 147.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -27.9 | 146.8 | 171 | 173.5 | 0 | 0 | 0 | 0 | 113.2 | T26 | V24-T26 VanDerWaalsContact C-N 3.29Å; V24-T26 PolarHBondContact O-N 3.16Å; V24-T26 PolarHBondContact O-OG1 3.33Å |
| 25 | K | 51.8 | Low | 56.4 | Low | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -46.3 | 86.2 | 174.2 | -175.7 | -176.6 | 173.1 | 178.2 | 0 | 112.2 | | |
| 26 | T | 58.9 | Low | 56.4 | Low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | -117.5 | 100.9 | 164.2 | 52.1 | 0 | 0 | 0 | 0 | 105.3 | V24 | V24-T26 VanDerWaalsContact C-N 3.29Å; V24-T26 PolarHBondContact O-N 3.16Å; V24-T26 PolarHBondContact O-OG1 3.33Å |
| 27 | E | 69.3 | Low | 56.9 | Low | 149 Ų | 149 | 140.1 Ų | 140.1 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | | | trans | -52.2 | 134.8 | 170.6 | -65.4 | 172.8 | 178.9 | 0 | 0 | 108.1 | M29 | E27-M29 PolarHBondContact O-N 3.25Š|
| 28 | P | 62.4 | Low | 57.4 | Low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -61.9 | 117.3 | 179.4 | 24.2 | -31.4 | 0 | 0 | 0 | 108.4 | S30 | P28-S30 PolarHBondContact O-N 3.07Š|
| 29 | M | 59.2 | Low | 57.8 | Low | 185 Ų | 185 | 138.5 Ų | 138.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -60.7 | 107 | 166.6 | -79.4 | -176.5 | -69.7 | 0 | 0 | 107.1 | E27 S31 | E27-M29 PolarHBondContact O-N 3.25Å; M29-S31 PolarHBondContact O-N 2.77Å; M29-S31 VanDerWaalsContact O-N 3.09Å |
| 30 | S | 58.1 | Low | 57.8 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -51.4 | 115.7 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | P28 S32 | P28-S30 PolarHBondContact O-N 3.07Å; S30-S32 PolarHBondContact O-N 3.21Å |
| 31 | S | 58 | Low | 58 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -64.7 | 98.3 | 169.9 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | M29 E33 | M29-S31 PolarHBondContact O-N 2.77Å; M29-S31 VanDerWaalsContact O-N 3.09Å; S31-E33 PolarHBondContact O-N 3.16Å |
| 32 | S | 60.9 | Low | 58.3 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -84.6 | 99.8 | 170.9 | -135.1 | 0 | 0 | 0 | 0 | 108.6 | S30 | S30-S32 PolarHBondContact O-N 3.21Š|
| 33 | E | 65.1 | Low | 58.9 | Low | 196 Ų | 196 | 132 Ų | 132 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -74 | 121.4 | 153.3 | -88.4 | -171.3 | 93.8 | 0 | 0 | 107.6 | S31 | S31-E33 PolarHBondContact O-N 3.16Š|
| 34 | T | 57.5 | Low | 59.1 | Low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | | | trans | -136 | 130.1 | 164.4 | 8.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 35 | A | 58 | Low | 59.8 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -51.5 | 151.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T37 | A35-T37 PolarHBondContact O-N 3.25Š|
| 36 | S | 56.3 | Low | 60.1 | Low | 128 Ų | 128 | 130.4 Ų | 130.4 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | -55.2 | 108.3 | 165.5 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 37 | T | 62.4 | Low | 60.4 | Low | 131 Ų | 131 | 130.5 Ų | 130.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -105.7 | 114 | 161.3 | 38.6 | 0 | 0 | 0 | 0 | 108.8 | A35 A39 | A35-T37 PolarHBondContact O-N 3.25Å; T37-A39 PolarHBondContact O-N 3.27Å |
| 38 | T | 55.8 | Low | 59.7 | Low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -49.2 | 123.9 | 171.8 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | D40 | T38-D40 WeakPolarHBondContact CG2-OD1 3.22Š|
| 39 | A | 61.3 | Low | 59.8 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | | | trans | -96.5 | 95.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109 | T37 | T37-A39 PolarHBondContact O-N 3.27Š|
| 40 | D | 55.9 | Low | 59.6 | Low | 136 Ų | 136 | 121.4 Ų | 121.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -148.9 | 113.3 | 164.6 | 65.6 | -43.8 | 0 | 0 | 0 | 111 | T38 | T38-D40 WeakPolarHBondContact CG2-OD1 3.22Š|
| 41 | G | 58.2 | Low | 59.7 | Low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 137 | 78.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 42 | S | 63.5 | Low | 59.6 | Low | 94 Ų | 94 | 121.1 Ų | 121.1 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | 60.4 | 95.4 | 142.8 | -150.2 | 0 | 0 | 0 | 0 | 119 | N44 | S42-N44 VanDerWaalsContact C-N 3.33Å; S42-N44 PolarHBondContact O-N 3.47Å; S42-N44 PolarHBondContact OG-ND2 2.77Å |
| 43 | L | 59.2 | Low | 59.6 | Low | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -63.4 | 88.6 | 154.5 | 178.1 | 70.5 | 0 | 0 | 0 | 109.7 | | |
| 44 | N | 59.5 | Low | 59.3 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | | | trans | -152.3 | 72.3 | 174.5 | -85 | -40 | 0 | 0 | 0 | 110.8 | S42 | S42-N44 VanDerWaalsContact C-N 3.33Å; S42-N44 PolarHBondContact O-N 3.47Å; S42-N44 PolarHBondContact OG-ND2 2.77Å |
| 45 | N | 63.7 | Low | 59.8 | Low | 141 Ų | 141 | 116.6 Ų | 116.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 179.8 | 39.4 | 149.4 | -110.6 | -74.1 | 0 | 0 | 0 | 116.7 | S47 | N45-S47 PolarHBondContact O-N 2.79Å; N45-S47 VanDerWaalsContact O-N 3.17Å |
| 46 | F | 58.8 | Low | 60.3 | Low | 200 Ų | 200 | 118.9 Ų | 118.9 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 58.1 | 164.7 | -74.9 | -79.6 | 0 | 0 | 0 | 111.2 | | |
| 47 | S | 64.4 | Low | 60.9 | Low | 117 Ų | 117 | 117.6 Ų | 117.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 25.2 | 155.8 | -81.1 | 0 | 0 | 0 | 0 | 110.5 | N45 | N45-S47 PolarHBondContact O-N 2.79Å; N45-S47 VanDerWaalsContact O-N 3.17Å |
| 48 | G | 56.2 | Low | 61.4 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -88.2 | 108.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A50 | G48-A50 VanDerWaalsContact C-N 3.33Å; G48-A50 PolarHBondContact O-N 2.79Å |
| 49 | S | 64.1 | Low | 62.3 | Low | 118 Ų | 118 | 120.3 Ų | 120.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -42.8 | 92.3 | 166 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | I51 | S49-I51 VanDerWaalsContact C-N 3.28Š|
| 50 | A | 55.5 | Low | 63 | Low | 95 Ų | 95 | 121.1 Ų | 121.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -104 | 35.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G48 G52 | G48-A50 VanDerWaalsContact C-N 3.33Å; G48-A50 PolarHBondContact O-N 2.79Å; A50-G52 PolarHBondContact O-N 2.92Å |
| 51 | I | 58.4 | Low | 63.7 | Low | 162 Ų | 162 | 121 Ų | 121 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | trans | -76.2 | 62.9 | 160.1 | -51.7 | -64.2 | 0 | 0 | 0 | 106.2 | S49 S53 | S49-I51 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 3.11Å |
| 52 | G | 56.3 | Low | 64.4 | Low | 57 Ų | 57 | 124.7 Ų | 124.7 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | | | trans | -82.2 | 88.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A50 S54 | A50-G52 PolarHBondContact O-N 2.92Å; G52-S54 VanDerWaalsContact C-N 3.3Å; G52-S54 PolarHBondContact O-N 3.03Å |
| 53 | S | 61.3 | Low | 64.8 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 27.8 | 58.9 | 138.6 | 63.6 | 0 | 0 | 0 | 0 | 116.4 | I51 S55 | I51-S53 PolarHBondContact O-N 3.11Å; S53-S55 VanDerWaalsContact C-N 3.29Å; S53-S55 PolarHBondContact O-N 3.01Å |
| 54 | S | 59.8 | Low | 65.2 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -74.2 | 97.6 | 161.5 | -176.2 | 0 | 0 | 0 | 0 | 105.5 | G52 F56 | G52-S54 VanDerWaalsContact C-N 3.3Å; G52-S54 PolarHBondContact O-N 3.03Å; S54-F56 PolarHBondContact O-N 3.24Å; S54-F56 VanDerWaalsContact OG-CB 3.25Å; S54-F56 WeakPolarHBondContact OG-CB 3.25Å |
| 55 | S | 68.1 | Low | 65.8 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | -69.1 | 48.9 | 163.9 | 51 | 0 | 0 | 0 | 0 | 109.7 | S53 S57 | S53-S55 VanDerWaalsContact C-N 3.29Å; S53-S55 PolarHBondContact O-N 3.01Å; S55-S57 PolarHBondContact O-N 2.81Å |
| 56 | F | 67.2 | Low | 66.4 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 60% | 0.596 | 74% | 0.737 | S | S | * | * | | | trans | -86.8 | 92.6 | 171.9 | -171.4 | -105 | 0 | 0 | 0 | 106.9 | S54 P58 | S54-F56 PolarHBondContact O-N 3.24Å; S54-F56 VanDerWaalsContact OG-CB 3.25Å; S54-F56 WeakPolarHBondContact OG-CB 3.25Å; F56-P58 HydrophobicContact CE1-CB 4.4Å; F56-P58 VanDerWaalsContact O-N 3.17Å; F56-P58 VanDerWaalsContact O-CD 3.25Å; F56-P58 WeakPolarHBondContact O-CD 3.25Å |
| 57 | S | 69.8 | Low | 67 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 116 | 156.8 | -67.2 | 0 | 0 | 0 | 0 | 106.2 | S55 R59 | S55-S57 PolarHBondContact O-N 2.81Å; S57-R59 PolarHBondContact O-N 2.8Å |
| 58 | P | 72.1 | Confident | 67.3 | Low | 105 Ų | 105 | 121.3 Ų | 121.3 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.5 | 176.5 | 22 | -30.1 | 0 | 0 | 0 | 107.2 | F56 | F56-P58 HydrophobicContact CE1-CB 4.4Å; F56-P58 VanDerWaalsContact O-N 3.17Å; F56-P58 VanDerWaalsContact O-CD 3.25Å; F56-P58 WeakPolarHBondContact O-CD 3.25Å |
| 59 | R | 75.9 | Confident | 68.1 | Low | 210 Ų | 210 | 125 Ų | 125 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.5 | 174.7 | -73.4 | -180 | 171.4 | -121.8 | -0.4 | 107.2 | S57 T61 | S57-R59 PolarHBondContact O-N 2.8Å; R59-T61 PolarHBondContact O-N 3.17Å; R59-T61 VanDerWaalsContact O-N 3.11Å |
| 60 | P | 75.2 | Confident | 68 | Low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 126.3 | 174.2 | -24.4 | 31.8 | 0 | 0 | 0 | 108.6 | H62 | P60-H62 PolarHBondContact O-N 2.97Š|
| 61 | T | 70.9 | Confident | 68.6 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | | | trans | -63.1 | 106 | 169.8 | 44.8 | 0 | 0 | 0 | 0 | 105.6 | R59 Q63 | R59-T61 PolarHBondContact O-N 3.17Å; R59-T61 VanDerWaalsContact O-N 3.11Å; T61-Q63 VanDerWaalsContact C-N 3.28Å; T61-Q63 PolarHBondContact O-N 3.42Å |
| 62 | H | 72.9 | Confident | 69.1 | Low | 153 Ų | 153 | 124.7 Ų | 124.7 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | | | trans | -61 | 100.4 | 173.1 | 180 | -84.4 | 0 | 0 | 0 | 105.8 | P60 F64 | P60-H62 PolarHBondContact O-N 2.97Å; H62-F64 VanDerWaalsContact C-N 3.26Å; H62-F64 AromaticContact ND1-CD2 3.84Å; H62-F64 PolarHBondContact O-N 3.17Å |
| 63 | Q | 72.6 | Confident | 69.8 | Low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | trans | -62.5 | 99.8 | 175.9 | -158.8 | 176.1 | 1.9 | 0 | 0 | 104.8 | T61 S65 | T61-Q63 VanDerWaalsContact C-N 3.28Å; T61-Q63 PolarHBondContact O-N 3.42Å; Q63-S65 PolarHBondContact O-N 2.67Å |
| 64 | F | 67 | Low | 70 | Confident | 154 Ų | 154 | 132.2 Ų | 132.2 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | | | trans | -75 | 78.2 | -176 | -161.2 | -89.9 | 0 | 0 | 0 | 106.6 | H62 P66 | H62-F64 VanDerWaalsContact C-N 3.26Å; H62-F64 AromaticContact ND1-CD2 3.84Å; H62-F64 PolarHBondContact O-N 3.17Å; F64-P66 VanDerWaalsContact O-CD 3.22Å; F64-P66 VanDerWaalsContact O-N 3.17Å; F64-P66 WeakPolarHBondContact O-CD 3.21Å |
| 65 | S | 72.3 | Confident | 70.7 | Confident | 90 Ų | 90 | 132.8 Ų | 132.8 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | | | trans | -60.5 | 113.2 | 157.8 | -58.3 | 0 | 0 | 0 | 0 | 104.8 | Q63 P67 | Q63-S65 PolarHBondContact O-N 2.67Å; S65-P67 VanDerWaalsContact O-N 3.16Å |
| 66 | P | 75.2 | Confident | 70.4 | Confident | 97 Ų | 97 | 137.3 Ų | 137.3 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | | | trans | -54.9 | 129.3 | 179.1 | 20.1 | -29.5 | 0 | 0 | 0 | 107.2 | F64 Q68 | F64-P66 VanDerWaalsContact O-CD 3.22Å; F64-P66 VanDerWaalsContact O-N 3.17Å; F64-P66 WeakPolarHBondContact O-CD 3.21Å; P66-Q68 PolarHBondContact O-N 3.16Å |
| 67 | P | 71.4 | Confident | 70.7 | Confident | 82 Ų | 82 | 135.7 Ų | 135.7 | 53% | 0.532 | 71% | 0.711 | S | S | . | * | | | trans | -53.9 | 124.7 | 175 | 20.1 | -29.3 | 0 | 0 | 0 | 106.7 | S65 I69 | S65-P67 VanDerWaalsContact O-N 3.16Å; P67-I69 HydrophobicContact CB-CG1 4.12Å; P67-I69 HydrophobicContact CG-CD1 3.98Å; P67-I69 HydrophobicContact CG-CG1 4.06Å; P67-I69 WeakPolarHBondContact O-CG1 3.34Å; P67-I69 PolarHBondContact O-N 2.94Å |
| 68 | Q | 71.8 | Confident | 70.6 | Confident | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | | | trans | -70.9 | 82.5 | 175.1 | -75 | -164.2 | 41.5 | 0 | 0 | 107.6 | P66 Y70 | P66-Q68 PolarHBondContact O-N 3.16Å; Q68-Y70 PolarHBondContact O-N 3.09Å |
| 69 | I | 71.7 | Confident | 70.4 | Confident | 132 Ų | 132 | 140.7 Ų | 140.7 | 68% | 0.677 | 72% | 0.717 | S | S | * | * | | | trans | -73.5 | -8.5 | -176.7 | -30.8 | -161.9 | 0 | 0 | 0 | 111 | P67 | P67-I69 HydrophobicContact CB-CG1 4.12Å; P67-I69 HydrophobicContact CG-CD1 3.98Å; P67-I69 HydrophobicContact CG-CG1 4.06Å; P67-I69 WeakPolarHBondContact O-CG1 3.34Å; P67-I69 PolarHBondContact O-N 2.94Å |
| 70 | Y | 62.5 | Low | 70.1 | Confident | 191 Ų | 191 | 137.1 Ų | 137.1 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -118.7 | 123.9 | 173.1 | -62.4 | -72.3 | 0 | 0 | 0 | 109.7 | Q68 S72 | Q68-Y70 PolarHBondContact O-N 3.09Å; Y70-S72 PolarHBondContact O-N 3.06Å |
| 71 | P | 67.9 | Low | 69.7 | Low | 70 Ų | 70 | 137 Ų | 137 | 46% | 0.455 | 71% | 0.712 | S | S | . | * | | | trans | -57.4 | 128 | 164.2 | -20.3 | 31.4 | 0 | 0 | 0 | 108.8 | N73 R74 | P71-N73 PolarHBondContact O-N 2.77Å; P71-R74 HydrophobicContact CB-CG 4.23Å; P71-R74 HydrophobicContact CG-CG 4.26Å; P71-R74 PolarHBondContact O-N 3.11Å |
| 72 | S | 70.4 | Confident | 69.8 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -18.4 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | Y70 | Y70-S72 PolarHBondContact O-N 3.06Š|
| 73 | N | 69.6 | Low | 69.7 | Low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 6.2 | -177.6 | -64.2 | 80.2 | 0 | 0 | 0 | 114.1 | P71 | P71-N73 PolarHBondContact O-N 2.77Š|
| 74 | R | 66.8 | Low | 69.7 | Low | 175 Ų | 175 | 132 Ų | 132 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -79.8 | 125.6 | 169.9 | -69.6 | -173.2 | -174.1 | -107.3 | -1.3 | 108.9 | P71 Y76 | P71-R74 HydrophobicContact CB-CG 4.23Å; P71-R74 HydrophobicContact CG-CG 4.26Å; P71-R74 PolarHBondContact O-N 3.11Å; R74-Y76 PolarHBondContact O-N 3.43Å |
| 75 | P | 72.9 | Confident | 70 | Confident | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.5 | 170 | -20.5 | 30.9 | 0 | 0 | 0 | 108.9 | | |
| 76 | Y | 62.8 | Low | 70.1 | Confident | 214 Ų | 214 | 134.7 Ų | 134.7 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -49 | 143.9 | 166.6 | -96.2 | -95.3 | 0 | 0 | 0 | 108.7 | R74 H78 | R74-Y76 PolarHBondContact O-N 3.43Å; Y76-H78 PolarHBondContact O-N 3.25Å |
| 77 | P | 73.6 | Confident | 69.8 | Low | 101 Ų | 101 | 136.6 Ų | 136.6 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 120.9 | 176.5 | 23.6 | -32.8 | 0 | 0 | 0 | 108 | I79 | P77-I79 PolarHBondContact O-N 3.09Š|
| 78 | H | 66.6 | Low | 69.6 | Low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | -69.8 | 84.4 | 174.6 | 45.9 | -88.7 | 0 | 0 | 0 | 106.8 | Y76 L80 | Y76-H78 PolarHBondContact O-N 3.25Å; H78-L80 VanDerWaalsContact C-N 3.32Å; H78-L80 PolarHBondContact O-N 2.97Å |
| 79 | I | 68.3 | Low | 69.4 | Low | 150 Ų | 150 | 137.7 Ų | 137.7 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -62.2 | 105.1 | 165.6 | -56.3 | 171.9 | 0 | 0 | 0 | 103.7 | P77 | P77-I79 PolarHBondContact O-N 3.09Š|
| 80 | L | 69.4 | Low | 68.9 | Low | 135 Ų | 135 | 139.6 Ų | 139.6 | 71% | 0.707 | 79% | 0.791 | S | S | * | * | | | trans | -53.5 | 136.2 | 174.4 | -74.6 | 104 | 0 | 0 | 0 | 107.1 | H78 T82 | H78-L80 VanDerWaalsContact C-N 3.32Å; H78-L80 PolarHBondContact O-N 2.97Å; L80-T82 VanDerWaalsContact O-N 3.17Å; L80-T82 PolarHBondContact O-N 3.14Å |
| 81 | P | 67.2 | Low | 69.2 | Low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -48.1 | 129.9 | 175.9 | -23.7 | 31.2 | 0 | 0 | 0 | 108.7 | P83 | P81-P83 VanDerWaalsContact O-N 3.11Š|
| 82 | T | 73.7 | Confident | 69.3 | Low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -45.7 | 123 | 176.3 | -44.8 | 0 | 0 | 0 | 0 | 108.1 | L80 S84 | L80-T82 VanDerWaalsContact O-N 3.17Å; L80-T82 PolarHBondContact O-N 3.14Å; T82-S84 PolarHBondContact O-N 3.38Å |
| 83 | P | 70.4 | Confident | 69.2 | Low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 137.2 | 178.5 | 23.2 | -32 | 0 | 0 | 0 | 108.4 | P81 S85 | P81-P83 VanDerWaalsContact O-N 3.11Å; P83-S85 PolarHBondContact O-N 3.01Å; P83-S85 VanDerWaalsContact O-N 3.16Å |
| 84 | S | 71.3 | Confident | 69.2 | Low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 124.7 | -178.1 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | T82 Q86 | T82-S84 PolarHBondContact O-N 3.38Å; S84-Q86 PolarHBondContact O-N 3.17Å; S84-Q86 VanDerWaalsContact O-N 3.16Å |
| 85 | S | 74.8 | Confident | 69.3 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.3 | 176.6 | -160.6 | 0 | 0 | 0 | 0 | 108.4 | P83 T87 | P83-S85 PolarHBondContact O-N 3.01Å; P83-S85 VanDerWaalsContact O-N 3.16Å; S85-T87 PolarHBondContact O-N 2.97Å |
| 86 | Q | 73.1 | Confident | 69.1 | Low | 183 Ų | 183 | 141.3 Ų | 141.3 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 119.2 | -179.1 | -60.1 | -177.4 | 33.2 | 0 | 0 | 108.3 | S84 M88 | S84-Q86 PolarHBondContact O-N 3.17Å; S84-Q86 VanDerWaalsContact O-N 3.16Å; Q86-M88 PolarHBondContact O-N 3.06Å |
| 87 | T | 70.1 | Confident | 69.5 | Low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | | | trans | -65.1 | 115.4 | 172.2 | -61 | 0 | 0 | 0 | 0 | 108.8 | S85 A89 | S85-T87 PolarHBondContact O-N 2.97Å; T87-A89 PolarHBondContact O-N 3.32Å |
| 88 | M | 67.8 | Low | 69.2 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | | | trans | -61.3 | 120.2 | 163 | -81.8 | -111.8 | -70.1 | 0 | 0 | 108.4 | Q86 A90 | Q86-M88 PolarHBondContact O-N 3.06Å; M88-A90 PolarHBondContact O-N 2.95Å |
| 89 | A | 66.2 | Low | 69.4 | Low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 85% | 0.849 | S | S | * | * | | | trans | -64.9 | 130.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | T87 | T87-A89 PolarHBondContact O-N 3.32Š|
| 90 | A | 61.1 | Low | 69.5 | Low | 173 Ų | 173 | 135.8 Ų | 135.8 | 100% | 1.43 | 86% | 0.856 | S | S | * | * | | | trans | -86.4 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M88 | M88-A90 PolarHBondContact O-N 2.95Š|