| 1 | R | 48.6 | Very low | 48.6 | Very low | 300 Ų | 300 | 164.7 Ų | 164.7 | 100% | 1.132 | 81% | 0.806 | S | S | * | * | | | | 0 | 76.9 | 0 | -65.5 | 179.3 | 178.7 | -166.6 | -1 | 106.3 | | |
| 2 | S | 44.1 | Very low | 48.1 | Very low | 88 Ų | 88 | 159.9 Ų | 159.9 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | | 40.5 | 108.5 | 75.8 | -155.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 3 | L | 51.4 | Low | 47.5 | Very low | 163 Ų | 163 | 160.2 Ų | 160.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 174.7 | 99.2 | 154.1 | -107.5 | 117.9 | 0 | 0 | 0 | 102.7 | | |
| 4 | R | 51.3 | Low | 47.1 | Very low | 208 Ų | 208 | 156.3 Ų | 156.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 48 | 93.4 | 52.4 | -88.4 | -160.8 | -84.2 | -135.3 | 1.2 | 113.2 | | |
| 5 | D | 51.3 | Low | 46.7 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -163.8 | 111.9 | 133.6 | -89.6 | -25.8 | 0 | 0 | 0 | 106.1 | | |
| 6 | S | 50.2 | Low | 46.7 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | | 59.9 | 91.7 | 56 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 7 | R | 50.7 | Low | 46.3 | Very low | 248 Ų | 248 | 155.3 Ų | 155.3 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | | | trans | -162.4 | 102.9 | 135.3 | -109.6 | 166.5 | 175.6 | -170.6 | -2 | 111.4 | | |
| 8 | A | 50 | Low | 46.3 | Very low | 91 Ų | 91 | 154.8 Ų | 154.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -74.2 | 138.3 | 158 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 9 | T | 52.4 | Low | 45.8 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | -131.7 | 101 | 155.1 | -53.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 10 | V | 39.7 | Very low | 45.5 | Very low | 113 Ų | 113 | 153 Ų | 153 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | -82.1 | 129.6 | 166.3 | 165.6 | 0 | 0 | 0 | 0 | 107.3 | V12 | V10-V12 HydrophobicContact CG1-CG2 3.71Š|
| 11 | W | 45 | Very low | 45.2 | Very low | 235 Ų | 235 | 151.2 Ų | 151.2 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | trans | -118.8 | 107.4 | 156.5 | -79.1 | 96.6 | 0 | 0 | 0 | 108.5 | | |
| 12 | V | 42.7 | Very low | 44.6 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | | | trans | -76.9 | 117 | 164.9 | 159.8 | 0 | 0 | 0 | 0 | 105.8 | V10 | V10-V12 HydrophobicContact CG1-CG2 3.71Š|
| 13 | Q | 40.8 | Very low | 44.2 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | | 99 | 150 | 86.3 | -155.5 | -179.8 | -76.2 | 0 | 0 | 112.7 | | |
| 14 | V | 40.9 | Very low | 43.7 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | | | trans | 77.8 | 110.6 | 160.1 | -166.2 | 0 | 0 | 0 | 0 | 115 | | |
| 15 | N | 41.9 | Very low | 42.9 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | | -159.2 | 129.7 | 93.3 | -142.6 | -4.3 | 0 | 0 | 0 | 114.6 | | |
| 16 | Q | 45.8 | Very low | 42.4 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -88.4 | 124.9 | 176.9 | -158.1 | -178.7 | 80.6 | 0 | 0 | 105.8 | | |
| 17 | N | 40.4 | Very low | 41.9 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -126.9 | 92.5 | 162.6 | -93.5 | -12.2 | 0 | 0 | 0 | 108.2 | | |
| 18 | Q | 46.8 | Very low | 41.6 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | trans | -81.8 | 154.8 | 154.7 | -67.7 | -145 | 50.9 | 0 | 0 | 109.4 | | |
| 19 | N | 36.5 | Very low | 41.3 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | | | trans | 103.5 | 119.9 | 136.8 | -82.6 | -28.5 | 0 | 0 | 0 | 121.2 | | |
| 20 | L | 39.7 | Very low | 41 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | | 95.3 | 111.3 | 127.4 | -68.4 | 162 | 0 | 0 | 0 | 119.5 | | |
| 21 | S | 38.7 | Very low | 41.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | 58.8 | 116.5 | 119.8 | 175.5 | 0 | 0 | 0 | 0 | 119 | | |
| 22 | G | 35.4 | Very low | 41.9 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | trans | -171.4 | 83.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 23 | N | 36.6 | Very low | 42.5 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -62.7 | 129.6 | 158.8 | -76.4 | -30.9 | 0 | 0 | 0 | 109.1 | | |
| 24 | T | 40.5 | Very low | 43.1 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | | -177.8 | 130.2 | 116.4 | 22.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 25 | E | 35.8 | Very low | 43.7 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | 82.8 | 138.8 | 138.2 | -131.6 | 173.3 | 179.4 | 0 | 0 | 122.9 | | |
| 26 | A | 39.8 | Very low | 44.5 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | trans | 80 | 86.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 27 | G | 39.6 | Very low | 44.9 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | | 89.4 | 92.6 | 122.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 28 | K | 45.3 | Very low | 45.4 | Very low | 207 Ų | 207 | 145.2 Ų | 145.2 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | | | | 173.9 | 127.9 | 125.8 | -93.3 | 160.1 | -172.3 | -176.9 | 0 | 110.6 | G30 | K28-G30 PolarHBondContact O-N 3.45Š|
| 29 | P | 43.9 | Very low | 46 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -81.6 | 108.4 | 178 | 31.6 | -30.4 | 0 | 0 | 0 | 110.3 | | |
| 30 | G | 44.6 | Very low | 46.5 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | -115.9 | 106.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K28 | K28-G30 PolarHBondContact O-N 3.45Š|
| 31 | S | 53.5 | Low | 47 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | 62.1 | 81 | 161.9 | -166 | 0 | 0 | 0 | 0 | 117 | R33 | S31-R33 PolarHBondContact O-N 3.35Š|
| 32 | Q | 51.5 | Low | 47.5 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -40.5 | 118.1 | 157.9 | -163.3 | 170.5 | 3.3 | 0 | 0 | 112 | R34 | Q32-R34 HydrophobicContact CB-CG 4.48Å; Q32-R34 HydrophobicContact CG-CG 4.22Å; Q32-R34 PolarHBondContact O-N 3.46Å |
| 33 | R | 54.9 | Low | 48.2 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | -43.2 | 100.5 | 156.2 | -85.2 | 174.8 | 144.3 | -145.7 | -0.1 | 109.2 | S31 | S31-R33 PolarHBondContact O-N 3.35Š|
| 34 | R | 52.3 | Low | 48.5 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -108.1 | 87.3 | 165.8 | -65.2 | -170.8 | 93.1 | -150.4 | 7.8 | 108 | Q32 S36 | Q32-R34 HydrophobicContact CB-CG 4.48Å; Q32-R34 HydrophobicContact CG-CG 4.22Å; Q32-R34 PolarHBondContact O-N 3.46Å; R34-S36 PolarHBondContact O-N 3.27Å |
| 35 | R | 54 | Low | 49.1 | Very low | 224 Ų | 224 | 143.2 Ų | 143.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -43.4 | 120.5 | 145.2 | -71 | 178.2 | 160.5 | -166.9 | -5.9 | 106.3 | | |
| 36 | S | 59.9 | Low | 49.6 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 134.6 | 177.1 | 44.6 | 0 | 0 | 0 | 0 | 109.1 | R34 R38 | R34-S36 PolarHBondContact O-N 3.27Å; S36-R38 PolarHBondContact O-N 2.86Å; S36-R38 VanDerWaalsContact O-N 3.12Å |
| 37 | P | 53.3 | Low | 50.3 | Low | 107 Ų | 107 | 148.9 Ų | 148.9 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 116.8 | 174.6 | -20.7 | 31.8 | 0 | 0 | 0 | 109.3 | F39 | P37-F39 PolarHBondContact O-N 3.12Š|
| 38 | R | 51.8 | Low | 50.9 | Low | 231 Ų | 231 | 150.6 Ų | 150.6 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123.1 | 160.2 | -73.2 | 178.6 | 174.3 | 173.3 | -3.4 | 106.9 | S36 S40 | S36-R38 PolarHBondContact O-N 2.86Å; S36-R38 VanDerWaalsContact O-N 3.12Å; R38-S40 PolarHBondContact O-N 3.23Å |
| 39 | F | 58.7 | Low | 51 | Low | 212 Ų | 212 | 149.7 Ų | 149.7 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | 7.6 | 95.6 | 162.5 | -68.4 | -84.5 | 0 | 0 | 0 | 115.3 | P37 | P37-F39 PolarHBondContact O-N 3.12Š|
| 40 | S | 46.5 | Very low | 51.3 | Low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -112.9 | 108 | 157.5 | -60.7 | 0 | 0 | 0 | 0 | 107 | R38 | R38-S40 PolarHBondContact O-N 3.23Š|
| 41 | S | 50.1 | Low | 51.6 | Low | 118 Ų | 118 | 154.6 Ų | 154.6 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -57.9 | 150.1 | 160.2 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 42 | P | 49 | Very low | 51.2 | Low | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | -148.7 | 152.9 | 98.6 | 34.2 | -16.3 | 0 | 0 | 0 | 114.2 | | |
| 43 | G | 50.3 | Low | 51.3 | Low | 82 Ų | 82 | 154.2 Ų | 154.2 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -63.8 | 135.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 44 | A | 43.3 | Very low | 51.4 | Low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | -157.7 | 105.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | R46 | A44-R46 PolarHBondContact O-N 3.34Š|
| 45 | L | 52.3 | Low | 51.6 | Low | 131 Ų | 131 | 143.7 Ų | 143.7 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | | | trans | -10 | 114.2 | 153.9 | -178.2 | 72.8 | 0 | 0 | 0 | 115.5 | E47 | L45-E47 HydrophobicContact CD1-CG 4.49Š|
| 46 | R | 46.4 | Very low | 51.9 | Low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | | | trans | -143.8 | 115.3 | 149.3 | -76.2 | -62.7 | 107 | 159.1 | 2.3 | 108.2 | A44 S48 | A44-R46 PolarHBondContact O-N 3.34Å; R46-S48 PolarHBondContact O-N 3.18Å |
| 47 | E | 55.8 | Low | 52.2 | Low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -73.9 | 114.9 | 170 | -67.3 | 168.7 | 179.2 | 0 | 0 | 108.2 | L45 | L45-E47 HydrophobicContact CD1-CG 4.49Š|
| 48 | S | 50.8 | Low | 53.1 | Low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -152.3 | 114.5 | 156.4 | 60.1 | 0 | 0 | 0 | 0 | 107.8 | R46 T50 | R46-S48 PolarHBondContact O-N 3.18Å; S48-T50 PolarHBondContact O-N 3.21Å |
| 49 | E | 48.1 | Very low | 53.7 | Low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -48.5 | 114 | 173.4 | -64.9 | 171.1 | 130.4 | 0 | 0 | 110.8 | | |
| 50 | T | 50.3 | Low | 54.5 | Low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | | 179.8 | 128.3 | 126.3 | 14.7 | 0 | 0 | 0 | 0 | 110.3 | S48 | S48-T50 PolarHBondContact O-N 3.21Š|
| 51 | K | 51.4 | Low | 55.8 | Low | 189 Ų | 189 | 141.2 Ų | 141.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 69.7 | 83.4 | 154.3 | -59 | 175.6 | -177.6 | -178.7 | 0 | 116.2 | A53 | K51-A53 PolarHBondContact O-N 3.48Š|
| 52 | M | 43.7 | Very low | 57.1 | Low | 165 Ų | 165 | 142.1 Ų | 142.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 35.1 | 88.4 | 139.7 | -61 | -77.8 | -126.3 | 0 | 0 | 115.7 | L54 | M52-L54 HydrophobicContact CB-CG 4.29Å; M52-L54 PolarHBondContact O-N 2.84Å |
| 53 | A | 55 | Low | 58.6 | Low | 107 Ų | 107 | 147.3 Ų | 147.3 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | trans | -68.6 | 80.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | K51 G55 | K51-A53 PolarHBondContact O-N 3.48Å; A53-G55 PolarHBondContact O-N 3.38Å; A53-G55 VanDerWaalsContact O-N 3.08Å |
| 54 | L | 55.5 | Low | 59.9 | Low | 145 Ų | 145 | 153.3 Ų | 153.3 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | -59.6 | 113.7 | 169 | -67.7 | 175.2 | 0 | 0 | 0 | 107.2 | M52 V56 | M52-L54 HydrophobicContact CB-CG 4.29Å; M52-L54 PolarHBondContact O-N 2.84Å; L54-V56 PolarHBondContact O-N 3.08Å |
| 55 | G | 56.8 | Low | 61.4 | Low | 63 Ų | 63 | 156.5 Ų | 156.5 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | | | trans | -45.5 | 133.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A53 K57 | A53-G55 PolarHBondContact O-N 3.38Å; A53-G55 VanDerWaalsContact O-N 3.08Å; G55-K57 PolarHBondContact O-N 3.04Å |
| 56 | V | 60.2 | Low | 62.6 | Low | 127 Ų | 127 | 153.7 Ų | 153.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -57.2 | 94.9 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | L54 R58 | L54-V56 PolarHBondContact O-N 3.08Å; V56-R58 HydrophobicContact CG1-CG 3.92Å; V56-R58 PolarHBondContact O-N 2.81Å |
| 57 | K | 67.1 | Low | 63.9 | Low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -72.5 | 91.5 | 168.2 | -70 | -179.4 | 176 | -179.4 | 0 | 107.7 | G55 S59 | G55-K57 PolarHBondContact O-N 3.04Å; K57-S59 PolarHBondContact O-N 3.27Å |
| 58 | R | 71.8 | Confident | 64.5 | Low | 220 Ų | 220 | 151.3 Ų | 151.3 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -68.8 | 113.2 | 168.8 | -55.3 | -178 | -148.1 | 141 | 5.7 | 107 | V56 I60 | V56-R58 HydrophobicContact CG1-CG 3.92Å; V56-R58 PolarHBondContact O-N 2.81Å; R58-I60 PolarHBondContact O-N 3.2Å |
| 59 | S | 64.5 | Low | 65.3 | Low | 109 Ų | 109 | 155.4 Ų | 155.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -66.3 | 118.5 | 173.7 | 46.4 | 0 | 0 | 0 | 0 | 109 | K57 T61 | K57-S59 PolarHBondContact O-N 3.27Å; S59-T61 PolarHBondContact O-N 3.5Å |
| 60 | I | 74.6 | Confident | 65.8 | Low | 156 Ų | 156 | 153.2 Ų | 153.2 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -83.4 | 112.2 | 168.6 | -62.7 | 172.1 | 0 | 0 | 0 | 106.1 | R58 | R58-I60 PolarHBondContact O-N 3.2Š|
| 61 | T | 74.8 | Confident | 66.2 | Low | 122 Ų | 122 | 153.5 Ų | 153.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 118 | 169.1 | 50 | 0 | 0 | 0 | 0 | 109.3 | S59 | S59-T61 PolarHBondContact O-N 3.5Š|
| 62 | V | 77.8 | Confident | 66.3 | Low | 136 Ų | 136 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 125 | 173 | -150.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 63 | R | 80.2 | Confident | 66.7 | Low | 227 Ų | 227 | 148.8 Ų | 148.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 131.4 | 169.4 | -63.5 | -170.1 | -149 | 128.1 | 4.3 | 108.8 | I65 | R63-I65 PolarHBondContact O-N 3.22Š|
| 64 | K | 77.4 | Confident | 66.6 | Low | 208 Ų | 208 | 148.7 Ų | 148.7 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 117.8 | 172.8 | -172.2 | 166 | 178.6 | 175.2 | 0 | 109 | A66 | K64-A66 PolarHBondContact O-N 3.33Š|
| 65 | I | 74.7 | Confident | 65.9 | Low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -79.4 | 109.3 | 174 | -58.5 | 172.3 | 0 | 0 | 0 | 106.6 | R63 | R63-I65 PolarHBondContact O-N 3.22Š|
| 66 | A | 77.5 | Confident | 65.5 | Low | 71 Ų | 71 | 149.5 Ų | 149.5 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | | | trans | -70.1 | 145.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | K64 R68 | K64-A66 PolarHBondContact O-N 3.33Å; A66-R68 PolarHBondContact O-N 3.03Å |
| 67 | P | 74.1 | Confident | 64.9 | Low | 128 Ų | 128 | 150.1 Ų | 150.1 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -58.6 | 105.7 | 172.9 | -17.8 | 29.4 | 0 | 0 | 0 | 109 | K69 | P67-K69 PolarHBondContact O-N 3.41Š|
| 68 | R | 68.9 | Low | 64.4 | Low | 228 Ų | 228 | 148.8 Ų | 148.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -68.1 | 120.5 | 169 | -70.2 | -177.2 | 173.1 | -172.5 | -3.3 | 106.3 | A66 T70 | A66-R68 PolarHBondContact O-N 3.03Å; R68-T70 PolarHBondContact O-N 2.88Å |
| 69 | K | 66.6 | Low | 63.5 | Low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -57.1 | 113.7 | 165.4 | -68.5 | -78.4 | 169.5 | 174.1 | 0 | 106.2 | P67 T71 | P67-K69 PolarHBondContact O-N 3.41Å; K69-T71 PolarHBondContact O-N 3.09Å |
| 70 | T | 58.9 | Low | 62.6 | Low | 141 Ų | 141 | 147.7 Ų | 147.7 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -66.6 | 88 | 170.4 | 44.6 | 0 | 0 | 0 | 0 | 107.6 | R68 A72 | R68-T70 PolarHBondContact O-N 2.88Å; T70-A72 PolarHBondContact O-N 3.39Å |
| 71 | T | 58 | Low | 61.6 | Low | 130 Ų | 130 | 145.1 Ų | 145.1 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -75 | 111.8 | 159.2 | -26.1 | 0 | 0 | 0 | 0 | 105.5 | K69 L73 | K69-T71 PolarHBondContact O-N 3.09Å; T71-L73 PolarHBondContact O-N 2.81Å; T71-L73 VanDerWaalsContact O-N 3.09Å |
| 72 | A | 54.7 | Low | 60.2 | Low | 99 Ų | 99 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -54.4 | 114.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.2 | T70 T74 | T70-A72 PolarHBondContact O-N 3.39Å; A72-T74 PolarHBondContact O-N 3.24Å |
| 73 | L | 52.6 | Low | 58.4 | Low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | -80.3 | 111.7 | 167.2 | -151.8 | 86.1 | 0 | 0 | 0 | 107.2 | T71 | T71-L73 PolarHBondContact O-N 2.81Å; T71-L73 VanDerWaalsContact O-N 3.09Å |
| 74 | T | 51.8 | Low | 57.2 | Low | 105 Ų | 105 | 150.3 Ų | 150.3 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | | | trans | 46 | 108 | 137 | 70.5 | 0 | 0 | 0 | 0 | 117.7 | A72 | A72-T74 PolarHBondContact O-N 3.24Š|
| 75 | G | 40.3 | Very low | 55.8 | Low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | -128.3 | 106.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 76 | N | 48.9 | Very low | 54.3 | Low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -58.9 | 131.9 | -177.4 | -60.3 | -0.2 | 0 | 0 | 0 | 112.5 | | |
| 77 | N | 47.8 | Very low | 52.5 | Low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -159.4 | 107.6 | 144 | -128.3 | -81.9 | 0 | 0 | 0 | 112.8 | | |
| 78 | K | 55.9 | Low | 51.1 | Low | 175 Ų | 175 | 149.9 Ų | 149.9 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | 55.9 | 111.2 | 147.9 | -63.2 | 179.4 | 179.8 | -178.1 | 0 | 119.9 | | |
| 79 | E | 52.8 | Low | 49.8 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | 61.6 | 108.9 | 122.7 | -159.3 | 172.7 | -179.2 | 0 | 0 | 116.7 | | |
| 80 | N | 45.6 | Very low | 48.7 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | | 179.5 | 126.1 | 78.3 | -174.3 | -45.1 | 0 | 0 | 0 | 109.7 | | |
| 81 | T | 54 | Low | 47.8 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 63% | 0.632 | 78% | 0.784 | S | S | * | * | | | trans | 16.1 | 128.4 | 149.8 | -20.4 | 0 | 0 | 0 | 0 | 120.8 | R83 | T81-R83 PolarHBondContact O-N 3.06Å; T81-R83 VanDerWaalsContact O-N 3.14Å |
| 82 | P | 45.4 | Very low | 46.8 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | -79.8 | 93.6 | 159.3 | 31.7 | -29.8 | 0 | 0 | 0 | 109.7 | R84 | P82-R84 PolarHBondContact O-N 3.09Å; P82-R84 VanDerWaalsContact O-N 3.12Å |
| 83 | R | 40.9 | Very low | 45.6 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -73.5 | 102.7 | 166.8 | -102.8 | -169.6 | 178 | -158.5 | 1.5 | 109.8 | T81 S85 | T81-R83 PolarHBondContact O-N 3.06Å; T81-R83 VanDerWaalsContact O-N 3.14Å; R83-S85 PolarHBondContact O-N 2.94Å |
| 84 | R | 54.3 | Low | 44.9 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -30 | 121.4 | 143.8 | 178.2 | 179.9 | -173.7 | 167.9 | 1.8 | 112 | P82 | P82-R84 PolarHBondContact O-N 3.09Å; P82-R84 VanDerWaalsContact O-N 3.12Å |
| 85 | S | 47.4 | Very low | 44.2 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -157 | 113.7 | 151.1 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | R83 | R83-S85 PolarHBondContact O-N 2.94Š|
| 86 | Q | 44.3 | Very low | 44.7 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -73.9 | 155.4 | 154.3 | -81.7 | 174.8 | -49.7 | 0 | 0 | 110.2 | | |
| 87 | N | 39.5 | Very low | 44.1 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | 119.5 | 113.3 | 142.5 | -63.2 | -35 | 0 | 0 | 0 | 118.2 | | |
| 88 | L | 45.6 | Very low | 44.1 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | | 45.9 | 114.2 | 125.3 | -70.5 | 136.4 | 0 | 0 | 0 | 119.6 | | |
| 89 | K | 40.6 | Very low | 43.4 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | | 171.8 | 130 | 106.8 | -95.1 | 174.7 | 178.5 | -177.6 | 0 | 113.5 | | |
| 90 | E | 44.3 | Very low | 42.7 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 8.8 | 134.3 | 147.3 | -57 | 173.8 | 150.6 | 0 | 0 | 121.2 | | |
| 91 | T | 39.1 | Very low | 42.6 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | | -163.6 | 114.6 | 123.2 | 23 | 0 | 0 | 0 | 0 | 113.3 | | |
| 92 | K | 37.5 | Very low | 42 | Very low | 213 Ų | 213 | 154.6 Ų | 154.6 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | trans | 15.2 | 136 | 144.1 | -65.8 | 175.8 | 175.2 | 178.9 | 0 | 123.4 | | |
| 93 | G | 30.5 | Very low | 42 | Very low | 78 Ų | 78 | 155.4 Ų | 155.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 118.2 | 128.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 94 | S | 36.8 | Very low | 42.7 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | cis | -164.8 | 147.2 | 5.9 | 47 | 0 | 0 | 0 | 0 | 108.8 | | |
| 95 | N | 36.1 | Very low | 42.7 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -71.3 | 164.5 | 173.3 | -152.3 | 16.7 | 0 | 0 | 0 | 111.3 | E97 | N95-E97 PolarHBondContact OD1-N 2.89Š|
| 96 | P | 52.6 | Low | 42.9 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | | -131.9 | 161.3 | 59.5 | 24.9 | -1.7 | 0 | 0 | 0 | 116.9 | | |
| 97 | E | 34.5 | Very low | 43.2 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | | | trans | -51.2 | 162 | 176.8 | -135 | -165.6 | 165.2 | 0 | 0 | 116.1 | N95 V99 | N95-E97 PolarHBondContact OD1-N 2.89Å; E97-V99 WeakPolarHBondContact OE1-CG2 3.43Å; E97-V99 PolarHBondContact OE1-N 3.27Å |
| 98 | P | 48.6 | Very low | 44.1 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | -139.3 | 146 | 90.2 | 35 | -19.8 | 0 | 0 | 0 | 116.5 | | |
| 99 | V | 41.2 | Very low | 44.6 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | | | trans | -25.4 | 129.7 | 160.7 | 176.7 | 0 | 0 | 0 | 0 | 115.5 | E97 | E97-V99 WeakPolarHBondContact OE1-CG2 3.43Å; E97-V99 PolarHBondContact OE1-N 3.27Å |
| 100 | G | 38.8 | Very low | 45.4 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | 179.8 | 95.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 101 | R | 42.8 | Very low | 46.2 | Very low | 236 Ų | 236 | 137.9 Ų | 137.9 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -61.5 | 138.2 | -178.6 | -60.6 | 173.9 | -179.6 | -146.9 | -0.1 | 113.2 | | |
| 102 | R | 41.9 | Very low | 47.4 | Very low | 228 Ų | 228 | 136.9 Ų | 136.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 179.3 | 102.8 | 131.2 | -98.6 | 167.8 | -173.7 | -157.3 | 1.9 | 110 | Q104 | R102-Q104 PolarHBondContact O-N 3.25Š|
| 103 | T | 43.9 | Very low | 48.2 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -72.2 | 107.1 | 168.9 | -11.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 104 | Q | 57.4 | Low | 50 | Low | 153 Ų | 153 | 138.1 Ų | 138.1 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | | | trans | -85.6 | 134.7 | 164.3 | -67.6 | -70.7 | 6 | 0 | 0 | 108.3 | R102 Q106 | R102-Q104 PolarHBondContact O-N 3.25Å; Q104-Q106 PolarHBondContact O-N 3.14Å; Q104-Q106 VanDerWaalsContact O-N 3.17Å |
| 105 | P | 53.8 | Low | 50.8 | Low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -69 | 111.7 | 169.8 | 26.8 | -29.1 | 0 | 0 | 0 | 109.1 | | |
| 106 | Q | 50.7 | Low | 51.7 | Low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -64.1 | 131.3 | 166 | -77 | -96.6 | -17.6 | 0 | 0 | 108.7 | Q104 | Q104-Q106 PolarHBondContact O-N 3.14Å; Q104-Q106 VanDerWaalsContact O-N 3.17Å |
| 107 | P | 51.7 | Low | 52 | Low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -63.7 | 142.4 | 169.6 | 26.7 | -31.8 | 0 | 0 | 0 | 109.5 | I109 | P107-I109 PolarHBondContact O-N 3.02Š|
| 108 | P | 57.3 | Low | 53.2 | Low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -62.3 | 112.5 | 179.4 | 24.3 | -31.1 | 0 | 0 | 0 | 109.4 | P110 | P108-P110 VanDerWaalsContact O-CD 3.31Å; P108-P110 WeakPolarHBondContact O-CD 3.32Å |
| 109 | I | 56.7 | Low | 53.4 | Low | 143 Ų | 143 | 133.8 Ų | 133.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.6 | 172.4 | -55.6 | 167.2 | 0 | 0 | 0 | 106.6 | P107 S111 | P107-I109 PolarHBondContact O-N 3.02Å; I109-S111 PolarHBondContact O-N 3.08Å |
| 110 | P | 58 | Low | 53.6 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133.8 | 177.2 | 26.6 | -32.2 | 0 | 0 | 0 | 109.1 | P108 | P108-P110 VanDerWaalsContact O-CD 3.31Å; P108-P110 WeakPolarHBondContact O-CD 3.32Å |
| 111 | S | 61.1 | Low | 54.4 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 145.2 | 177.6 | -32.7 | 0 | 0 | 0 | 0 | 110.7 | I109 I113 | I109-S111 PolarHBondContact O-N 3.08Å; S111-I113 PolarHBondContact O-N 3.22Å |
| 112 | P | 62.9 | Low | 55.1 | Low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -59.3 | 115.5 | 171 | -17.3 | 28.9 | 0 | 0 | 0 | 109.3 | L114 | P112-L114 PolarHBondContact O-N 2.8Š|
| 113 | I | 54.8 | Low | 55.8 | Low | 166 Ų | 166 | 124.5 Ų | 124.5 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | -65.5 | 106 | 175.7 | -58.1 | 171.5 | 0 | 0 | 0 | 106.9 | S111 | S111-I113 PolarHBondContact O-N 3.22Š|
| 114 | L | 68.3 | Low | 56.3 | Low | 150 Ų | 150 | 123.1 Ų | 123.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.7 | 167.3 | -67.3 | 171.4 | 0 | 0 | 0 | 107.9 | P112 S116 | P112-L114 PolarHBondContact O-N 2.8Å; L114-S116 PolarHBondContact O-N 3.29Å |
| 115 | P | 54.8 | Low | 56.6 | Low | 122 Ų | 122 | 119.8 Ų | 119.8 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.3 | 169.5 | 24.7 | -31.4 | 0 | 0 | 0 | 108.1 | S117 | P115-S117 PolarHBondContact O-N 3.31Š|
| 116 | S | 54.7 | Low | 56.9 | Low | 116 Ų | 116 | 118.1 Ų | 118.1 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 125.3 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L114 | L114-S116 PolarHBondContact O-N 3.29Š|
| 117 | S | 58.1 | Low | 57.6 | Low | 94 Ų | 94 | 115.2 Ų | 115.2 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | | | trans | -45.8 | 140.5 | 170.2 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | P115 | P115-S117 PolarHBondContact O-N 3.31Š|
| 118 | P | 60.4 | Low | 58 | Low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137.8 | 171.2 | 25.2 | -32 | 0 | 0 | 0 | 108.7 | A120 | P118-A120 PolarHBondContact O-N 3.24Š|
| 119 | P | 51.5 | Low | 58.3 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.9 | 174 | 25.5 | -31.2 | 0 | 0 | 0 | 108.1 | A121 | P119-A121 PolarHBondContact O-N 3.35Š|
| 120 | A | 45.3 | Very low | 58.7 | Low | 83 Ų | 83 | 112.6 Ų | 112.6 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 132.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | P118 S122 | P118-A120 PolarHBondContact O-N 3.24Å; A120-S122 VanDerWaalsContact C-N 3.32Å; A120-S122 PolarHBondContact O-N 3.13Å |
| 121 | A | 56.1 | Low | 58.9 | Low | 106 Ų | 106 | 111.5 Ų | 111.5 | 88% | 0.876 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -57.9 | 92.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P119 | P119-A121 PolarHBondContact O-N 3.35Š|
| 122 | S | 57.7 | Low | 58.9 | Low | 97 Ų | 97 | 114.4 Ų | 114.4 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | | | trans | 163 | 72.7 | 158.8 | 56.7 | 0 | 0 | 0 | 0 | 109 | A120 | A120-S122 VanDerWaalsContact C-N 3.32Å; A120-S122 PolarHBondContact O-N 3.13Å |
| 123 | Q | 56.7 | Low | 59 | Low | 171 Ų | 171 | 113.5 Ų | 113.5 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | | | trans | -108.1 | 116.8 | 155.3 | -70.1 | -71.5 | -37.7 | 0 | 0 | 105.5 | A125 | Q123-A125 PolarHBondContact O-N 3.25Š|
| 124 | P | 54.9 | Low | 59.4 | Low | 119 Ų | 119 | 113.2 Ų | 113.2 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 125.7 | 171.2 | 25 | -29.6 | 0 | 0 | 0 | 107.1 | D126 | P124-D126 PolarHBondContact O-N 3.12Š|
| 125 | A | 62.3 | Low | 59.2 | Low | 82 Ų | 82 | 114.7 Ų | 114.7 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 131.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q123 | Q123-A125 PolarHBondContact O-N 3.25Š|
| 126 | D | 62.1 | Low | 59.7 | Low | 85 Ų | 85 | 112.6 Ų | 112.6 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 124.9 | 179.1 | -175.5 | -19.4 | 0 | 0 | 0 | 107.8 | P124 R128 D129 | P124-D126 PolarHBondContact O-N 3.12Å; D126-R128 PolarHBondContact O-N 3.21Å; D126-R128 WeakPolarHBondContact OD1-CB 3.24Å; D126-R128 PolarHBondContact OD1-N 3.43Å; D126-D129 WeakPolarHBondContact O-CB 3.25Å; D126-D129 PolarHBondContact O-N 3.4Å |
| 127 | P | 65.3 | Low | 60.2 | Low | 101 Ų | 101 | 117 Ų | 117 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -55 | -19.3 | -179.8 | 18 | -30.4 | 0 | 0 | 0 | 113.2 | | |
| 128 | R | 59.9 | Low | 60.6 | Low | 170 Ų | 170 | 123.8 Ų | 123.8 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.9 | -35.1 | 172.8 | -67.1 | -114 | -81.4 | -155.3 | -7.1 | 113.4 | D126 S130 V131 W132 | D126-R128 PolarHBondContact O-N 3.21Å; D126-R128 WeakPolarHBondContact OD1-CB 3.24Å; D126-R128 PolarHBondContact OD1-N 3.43Å; R128-S130 VanDerWaalsContact C-N 3.34Å; R128-V131 PolarHBondContact O-N 3.45Å; R128-W132 PolarHBondContact O-N 3Å |
| 129 | D | 62.9 | Low | 60.7 | Low | 77 Ų | 77 | 121.7 Ų | 121.7 | 41% | 0.412 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.9 | -30.8 | 178.5 | -67.5 | -26.4 | 0 | 0 | 0 | 111.9 | D126 V131 W132 T133 | D126-D129 WeakPolarHBondContact O-CB 3.25Å; D126-D129 PolarHBondContact O-N 3.4Å; D129-V131 VanDerWaalsContact C-N 3.31Å; D129-V131 PolarHBondContact O-N 2.99Å; D129-W132 PolarHBondContact O-N 3.28Å; D129-W132 VanDerWaalsContact OD1-CE3 3.29Å; D129-W132 VanDerWaalsContact OD1-CZ3 3.29Å; D129-W132 WeakPolarHBondContact OD1-CZ3 3.42Å; D129-T133 WeakPolarHBondContact O-CG2 3.48Å; D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 3.1Å; D129-T133 VanDerWaalsContact O-OG1 3.12Å |
| 130 | S | 65.4 | Low | 60.9 | Low | 67 Ų | 67 | 125.3 Ų | 125.3 | 47% | 0.469 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.9 | -30.6 | 177.4 | -156.7 | 0 | 0 | 0 | 0 | 112.6 | R128 T133 Q134 | R128-S130 VanDerWaalsContact C-N 3.34Å; S130-T133 WeakPolarHBondContact CA-OG1 3.47Å; S130-T133 PolarHBondContact O-OG1 3.48Å; S130-Q134 PolarHBondContact O-N 3.36Å |
| 131 | V | 62.9 | Low | 61.6 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.7 | -37.1 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 111 | R128 D129 Q134 K135 | R128-V131 PolarHBondContact O-N 3.45Å; D129-V131 VanDerWaalsContact C-N 3.31Å; D129-V131 PolarHBondContact O-N 2.99Å; V131-Q134 PolarHBondContact O-N 2.62Å; V131-K135 WeakPolarHBondContact O-CB 3.45Å; V131-K135 PolarHBondContact O-N 2.93Å; V131-K135 VanDerWaalsContact O-N 3.1Å |
| 132 | W | 60.9 | Low | 61.8 | Low | 161 Ų | 161 | 129 Ų | 129 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.9 | -37.9 | 178.5 | -65.7 | -27.2 | 0 | 0 | 0 | 112.6 | R128 D129 Q134 K135 | R128-W132 PolarHBondContact O-N 3Å; D129-W132 PolarHBondContact O-N 3.28Å; D129-W132 VanDerWaalsContact OD1-CE3 3.29Å; D129-W132 VanDerWaalsContact OD1-CZ3 3.29Å; D129-W132 WeakPolarHBondContact OD1-CZ3 3.42Å; W132-Q134 VanDerWaalsContact C-N 3.31Å; W132-Q134 PolarHBondContact O-N 3.41Å; W132-K135 PolarHBondContact O-N 2.88Å |
| 133 | T | 64.2 | Low | 61.8 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 63% | 0.632 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68 | -28.5 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | D129 S130 | D129-T133 WeakPolarHBondContact O-CG2 3.48Å; D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 3.1Å; D129-T133 VanDerWaalsContact O-OG1 3.12Å; S130-T133 WeakPolarHBondContact CA-OG1 3.47Å; S130-T133 PolarHBondContact O-OG1 3.48Å |
| 134 | Q | 64.1 | Low | 61.8 | Low | 160 Ų | 160 | 127.7 Ų | 127.7 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.9 | -29.2 | 178.4 | -164.9 | 119.7 | 18.6 | 0 | 0 | 113.6 | S130 V131 W132 V136 | S130-Q134 PolarHBondContact O-N 3.36Å; V131-Q134 PolarHBondContact O-N 2.62Å; W132-Q134 VanDerWaalsContact C-N 3.31Å; W132-Q134 PolarHBondContact O-N 3.41Å; Q134-V136 VanDerWaalsContact C-N 3.31Å |
| 135 | K | 63.4 | Low | 61.7 | Low | 181 Ų | 181 | 130.1 Ų | 130.1 | 79% | 0.787 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -84.7 | -5.1 | -178.8 | -156.6 | 169.5 | 174.5 | -177.4 | 0 | 113.2 | V131 W132 R137 | V131-K135 WeakPolarHBondContact O-CB 3.45Å; V131-K135 PolarHBondContact O-N 2.93Å; V131-K135 VanDerWaalsContact O-N 3.1Å; W132-K135 PolarHBondContact O-N 2.88Å; K135-R137 PolarHBondContact O-N 3.27Å |
| 136 | V | 65.3 | Low | 61.6 | Low | 78 Ų | 78 | 131.1 Ų | 131.1 | 47% | 0.473 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -66.2 | 102.2 | 160.3 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | Q134 R138 Y140 | Q134-V136 VanDerWaalsContact C-N 3.31Å; V136-R138 PolarHBondContact O-N 3.12Å; V136-Y140 HydrophobicContact CG1-CD2 3.73Å |
| 137 | R | 64.8 | Low | 61 | Low | 208 Ų | 208 | 132.4 Ų | 132.4 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | | | trans | -33.9 | 126.9 | 172.7 | -176.3 | 174.9 | 170.2 | 115.7 | -4.9 | 108.5 | K135 S139 | K135-R137 PolarHBondContact O-N 3.27Å; R137-S139 PolarHBondContact O-N 3.02Å; R137-S139 PolarHBondContact O-OG 2.91Å |
| 138 | R | 67.6 | Low | 60.7 | Low | 236 Ų | 236 | 136.5 Ų | 136.5 | 89% | 0.891 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 17.5 | -177.4 | -85.3 | 173.4 | 155.5 | -140.2 | -1.1 | 116 | V136 | V136-R138 PolarHBondContact O-N 3.12Š|
| 139 | S | 61.7 | Low | 60.4 | Low | 65 Ų | 65 | 135.5 Ų | 135.5 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -17.1 | 176 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | R137 | R137-S139 PolarHBondContact O-N 3.02Å; R137-S139 PolarHBondContact O-OG 2.91Å |
| 140 | Y | 56 | Low | 60 | Low | 190 Ų | 190 | 136.9 Ų | 136.9 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -93.1 | -6.9 | 173.8 | -64.3 | -75.1 | 0 | 0 | 0 | 113.8 | V136 K142 | V136-Y140 HydrophobicContact CG1-CD2 3.73Å; Y140-K142 PolarHBondContact O-N 3.26Å |
| 141 | S | 59.9 | Low | 59.6 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -81.5 | 45.2 | 168.6 | -175 | 0 | 0 | 0 | 0 | 111.8 | | |
| 142 | K | 60.6 | Low | 59.2 | Low | 159 Ų | 159 | 139.3 Ų | 139.3 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | -139 | 45.1 | 177.4 | -75 | -110.8 | 178.8 | 174.9 | 0 | 111.3 | Y140 S144 | Y140-K142 PolarHBondContact O-N 3.26Å; K142-S144 PolarHBondContact O-N 2.84Å |
| 143 | L | 56.3 | Low | 59.1 | Low | 170 Ų | 170 | 138.5 Ų | 138.5 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -83.7 | 54.1 | 150.7 | -66.2 | 180 | 0 | 0 | 0 | 109.4 | | |
| 144 | S | 57.8 | Low | 58.8 | Low | 71 Ų | 71 | 144 Ų | 144 | 50% | 0.497 | 75% | 0.745 | S | S | . | * | | | trans | -102.2 | 109.4 | 161.4 | 55.5 | 0 | 0 | 0 | 0 | 106.1 | K142 S146 | K142-S144 PolarHBondContact O-N 2.84Å; S144-S146 PolarHBondContact O-N 2.92Å |
| 145 | D | 53 | Low | 58.8 | Low | 170 Ų | 170 | 143.4 Ų | 143.4 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | | | trans | -68.2 | 68.7 | -176 | -74.8 | -34.3 | 0 | 0 | 0 | 113.1 | | |
| 146 | S | 60 | Low | 58.9 | Low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | trans | -144.4 | 92.6 | 169.8 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | S144 | S144-S146 PolarHBondContact O-N 2.92Š|
| 147 | S | 49.8 | Very low | 59 | Low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -136.2 | 110.6 | 161.7 | 178.5 | 0 | 0 | 0 | 0 | 110 | H149 | S147-H149 VanDerWaalsContact C-N 3.32Å; S147-H149 PolarHBondContact O-N 3Å |
| 148 | L | 57.8 | Low | 59.2 | Low | 186 Ų | 186 | 140.7 Ų | 140.7 | 97% | 0.974 | 74% | 0.743 | S | S | * | * | | | trans | -76.1 | 70.7 | 178.2 | -64.5 | 165.3 | 0 | 0 | 0 | 111.2 | | |
| 149 | H | 54.9 | Low | 59.4 | Low | 150 Ų | 150 | 131.4 Ų | 131.4 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | | | trans | -141.7 | 106.6 | 166 | -166.9 | 65.6 | 0 | 0 | 0 | 109.5 | S147 | S147-H149 VanDerWaalsContact C-N 3.32Å; S147-H149 PolarHBondContact O-N 3Å |
| 150 | S | 54.5 | Low | 59.8 | Low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | | | trans | -57.8 | 132.2 | -178.7 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | G152 | S150-G152 PolarHBondContact O-N 2.87Å; S150-G152 VanDerWaalsContact O-N 3.08Å |
| 151 | P | 56.4 | Low | 60.5 | Low | 139 Ų | 139 | 132.6 Ų | 132.6 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 88.7 | 173.4 | 31.1 | -29.2 | 0 | 0 | 0 | 108.5 | | |
| 152 | G | 55.1 | Low | 61 | Low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.9 | -4.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 118 | S150 | S150-G152 PolarHBondContact O-N 2.87Å; S150-G152 VanDerWaalsContact O-N 3.08Å |
| 153 | H | 57.3 | Low | 61.5 | Low | 143 Ų | 143 | 134.2 Ų | 134.2 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | | | trans | -150.3 | 72.6 | 178.9 | -160.6 | -87.9 | 0 | 0 | 0 | 111 | E155 | H153-E155 IonicContact CE1-OE1 3.55Å; H153-E155 PolarHBondContact CE1-OE1 3.21Å |
| 154 | R | 58.7 | Low | 61.9 | Low | 220 Ų | 220 | 134.6 Ų | 134.6 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | | | trans | -100.3 | 101.2 | 162.2 | -73.8 | -174.2 | 164.4 | -159.5 | -5.9 | 106.3 | T156 | R154-T156 PolarHBondContact O-N 2.73Š|
| 155 | E | 63.4 | Low | 62.4 | Low | 147 Ų | 147 | 135.6 Ų | 135.6 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | trans | -51.5 | 106 | 165.7 | -66.1 | 171.8 | -166.2 | 0 | 0 | 107.1 | H153 L157 | H153-E155 IonicContact CE1-OE1 3.55Å; H153-E155 PolarHBondContact CE1-OE1 3.21Å; E155-L157 PolarHBondContact O-N 3.04Å; E155-L157 VanDerWaalsContact O-N 3.08Å |
| 156 | T | 66.8 | Low | 63 | Low | 68 Ų | 68 | 132.8 Ų | 132.8 | 42% | 0.417 | 72% | 0.72 | S | S | . | * | | | trans | -69 | 111.8 | -179.5 | 62.5 | 0 | 0 | 0 | 0 | 107 | R154 F158 G159 | R154-T156 PolarHBondContact O-N 2.73Å; T156-F158 PolarHBondContact O-N 3.43Å; T156-G159 PolarHBondContact O-N 3.46Å |
| 157 | L | 65.8 | Low | 63 | Low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -3.6 | -179.8 | -72.1 | 168.3 | 0 | 0 | 0 | 114.1 | E155 | E155-L157 PolarHBondContact O-N 3.04Å; E155-L157 VanDerWaalsContact O-N 3.08Å |
| 158 | F | 70.3 | Confident | 63.6 | Low | 170 Ų | 170 | 136 Ų | 136 | 75% | 0.746 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 2.4 | -180 | -59.6 | -80.2 | 0 | 0 | 0 | 113.6 | T156 F160 | T156-F158 PolarHBondContact O-N 3.43Å; F158-F160 VanDerWaalsContact C-N 3.29Å; F158-F160 HydrophobicContact CB-CD2 3.5Å; F158-F160 HydrophobicContact CB-CE2 3.3Å; F158-F160 HydrophobicContact CB-CZ 4.38Å; F158-F160 HydrophobicContact CG-CE2 4.14Å; F158-F160 PolarHBondContact O-N 3.06Å |
| 159 | G | 70.6 | Confident | 63.4 | Low | 41 Ų | 41 | 132.3 Ų | 132.3 | 42% | 0.423 | 70% | 0.703 | S | S | . | * | | | trans | 69.9 | 15.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | T156 E161 K162 | T156-G159 PolarHBondContact O-N 3.46Å; G159-E161 PolarHBondContact O-N 3Å; G159-E161 VanDerWaalsContact O-N 3.09Å; G159-K162 PolarHBondContact O-N 3.19Å |
| 160 | F | 71.2 | Confident | 63.4 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -63.9 | -13.3 | -178.9 | -72.2 | -73.7 | 0 | 0 | 0 | 114.3 | F158 K162 L163 | F158-F160 VanDerWaalsContact C-N 3.29Å; F158-F160 HydrophobicContact CB-CD2 3.5Å; F158-F160 HydrophobicContact CB-CE2 3.3Å; F158-F160 HydrophobicContact CB-CZ 4.38Å; F158-F160 HydrophobicContact CG-CE2 4.14Å; F158-F160 PolarHBondContact O-N 3.06Å; F160-K162 PolarHBondContact O-N 3.41Å; F160-L163 HydrophobicContact CD1-CD1 4.03Å; F160-L163 HydrophobicContact CE1-CD1 4.5Å; F160-L163 PolarHBondContact O-N 3.14Å |
| 161 | E | 70.9 | Confident | 62.9 | Low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -66.6 | -20.3 | 176.2 | -170.6 | 153.8 | -176.8 | 0 | 0 | 113.7 | G159 | G159-E161 PolarHBondContact O-N 3Å; G159-E161 VanDerWaalsContact O-N 3.09Å |
| 162 | K | 69.9 | Low | 63 | Low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -88.2 | -4.8 | 176.3 | -63.6 | -175.6 | -179.6 | -177.5 | 0 | 113.8 | G159 F160 | G159-K162 PolarHBondContact O-N 3.19Å; F160-K162 PolarHBondContact O-N 3.41Å |
| 163 | L | 71.1 | Confident | 62.3 | Low | 104 Ų | 104 | 142 Ų | 142 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -99.2 | 127.6 | 176.1 | -66.8 | 172.1 | 0 | 0 | 0 | 108.4 | F160 T165 | F160-L163 HydrophobicContact CD1-CD1 4.03Å; F160-L163 HydrophobicContact CE1-CD1 4.5Å; F160-L163 PolarHBondContact O-N 3.14Å; L163-T165 HydrophobicContact CB-CG2 4.21Å; L163-T165 PolarHBondContact O-N 3.41Å |
| 164 | N | 64.1 | Low | 61.9 | Low | 178 Ų | 178 | 143.8 Ų | 143.8 | 95% | 0.952 | 71% | 0.711 | S | S | * | * | | | trans | -70.2 | 64.7 | 171.2 | -77.3 | -24.2 | 0 | 0 | 0 | 110.1 | | |
| 165 | T | 69.5 | Low | 61.3 | Low | 92 Ų | 92 | 141.4 Ų | 141.4 | 56% | 0.564 | 71% | 0.714 | S | S | * | * | | | trans | -80.2 | 129.1 | 168.4 | 49.4 | 0 | 0 | 0 | 0 | 107.7 | L163 E167 | L163-T165 HydrophobicContact CB-CG2 4.21Å; L163-T165 PolarHBondContact O-N 3.41Å; T165-E167 PolarHBondContact O-N 3.3Å |
| 166 | P | 65.5 | Low | 60.5 | Low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | trans | -57.9 | 129.1 | 175.1 | 23 | -31.3 | 0 | 0 | 0 | 108.5 | V168 | P166-V168 PolarHBondContact O-N 3.06Š|
| 167 | E | 60.3 | Low | 59.7 | Low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | -59.7 | 96.2 | 179.3 | -173.8 | -179.9 | 174.5 | 0 | 0 | 109.3 | T165 V169 | T165-E167 PolarHBondContact O-N 3.3Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 HydrophobicContact CG-CG2 4.37Å; E167-V169 PolarHBondContact O-N 3.08Å |
| 168 | V | 61.2 | Low | 58.7 | Low | 108 Ų | 108 | 144.8 Ų | 144.8 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | | | trans | -76.2 | 95.7 | 168.2 | -180 | 0 | 0 | 0 | 0 | 105.8 | P166 R170 | P166-V168 PolarHBondContact O-N 3.06Å; V168-R170 PolarHBondContact O-N 2.98Å |
| 169 | V | 54.7 | Low | 57.1 | Low | 109 Ų | 109 | 142 Ų | 142 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | | | trans | -56.8 | 92.7 | 168.3 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | E167 S171 | E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 HydrophobicContact CG-CG2 4.37Å; E167-V169 PolarHBondContact O-N 3.08Å; V169-S171 PolarHBondContact O-N 2.8Å |
| 170 | R | 53.8 | Low | 56.4 | Low | 224 Ų | 224 | 147.7 Ų | 147.7 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | -70.1 | 82.6 | 160.5 | -70.7 | -171.3 | 177 | 94.4 | -2.8 | 106 | V168 R172 | V168-R170 PolarHBondContact O-N 2.98Å; R170-R172 PolarHBondContact O-N 3.09Å |
| 171 | S | 44.8 | Very low | 55.5 | Low | 89 Ų | 89 | 149.6 Ų | 149.6 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | | | trans | -60.6 | 107.8 | 166.1 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | V169 V173 | V169-S171 PolarHBondContact O-N 2.8Å; S171-V173 PolarHBondContact O-N 3.22Å |
| 172 | R | 57.6 | Low | 54.2 | Low | 248 Ų | 248 | 147.4 Ų | 147.4 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | | | trans | -65.3 | 90.3 | 162.3 | -106 | -172.1 | 176.7 | -139.4 | 2.1 | 107.2 | R170 | R170-R172 PolarHBondContact O-N 3.09Š|
| 173 | V | 40.8 | Very low | 53.4 | Low | 107 Ų | 107 | 143.6 Ų | 143.6 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | | | trans | -118.3 | 95 | 147.4 | 175.5 | 0 | 0 | 0 | 0 | 105.4 | S171 L175 | S171-V173 PolarHBondContact O-N 3.22Å; V173-L175 VanDerWaalsContact C-N 3.34Å; V173-L175 PolarHBondContact O-N 3.32Å |
| 174 | E | 49.7 | Very low | 51.9 | Low | 180 Ų | 180 | 142.4 Ų | 142.4 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | 11.3 | 71.1 | 141.4 | -152.3 | 163.3 | -152.6 | 0 | 0 | 116.2 | S176 | E174-S176 PolarHBondContact O-N 3.25Š|
| 175 | L | 44.8 | Very low | 51.7 | Low | 171 Ų | 171 | 138.8 Ų | 138.8 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -83.6 | 94.5 | 163.5 | -85.2 | 158.3 | 0 | 0 | 0 | 107.6 | V173 R177 | V173-L175 VanDerWaalsContact C-N 3.34Å; V173-L175 PolarHBondContact O-N 3.32Å; L175-R177 PolarHBondContact O-N 2.72Å |
| 176 | S | 46.6 | Very low | 50.5 | Low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -59 | 105 | 162.1 | -64 | 0 | 0 | 0 | 0 | 108.9 | E174 | E174-S176 PolarHBondContact O-N 3.25Š|
| 177 | R | 50.8 | Low | 49.4 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 41.1 | 97.6 | 148.1 | -64.6 | -179.8 | 142.2 | 141.9 | -3.6 | 117.4 | L175 | L175-R177 PolarHBondContact O-N 2.72Š|
| 178 | S | 43.9 | Very low | 48.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | | 161.9 | 143.6 | 119.8 | 61.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 179 | S | 38.5 | Very low | 48.1 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 91 | 85.2 | 172.2 | -143.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 180 | L | 55.3 | Low | 47.9 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -94.1 | 98.8 | 161.8 | -169.4 | 138.6 | 0 | 0 | 0 | 106 | | |
| 181 | E | 50.9 | Low | 47.1 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -120.5 | 96.6 | 170.8 | -78.6 | -77.7 | 145.3 | 0 | 0 | 107.4 | | |
| 182 | V | 43.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | | | trans | 24.4 | 105.7 | 138 | -172.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 183 | S | 54.7 | Low | 47 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | | 28.7 | 101.3 | 122.6 | -160.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 184 | G | 39.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | | | trans | -144.2 | 91.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 185 | S | 59.3 | Low | 47.4 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | trans | -124.6 | 79.6 | -176.2 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 186 | F | 45.1 | Very low | 47.8 | Very low | 188 Ų | 188 | 124.2 Ų | 124.2 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | | | trans | -177.3 | 30 | 160.6 | 45.4 | -104.3 | 0 | 0 | 0 | 115.4 | S188 | F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 WeakPolarHBondContact O-CB 3.49Å; F186-S188 PolarHBondContact O-N 3.05Å |
| 187 | A | 41.5 | Very low | 48.5 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | | | trans | -90.9 | 65.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 188 | S | 45.1 | Very low | 48.9 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | | 48.3 | 82.1 | 84.6 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | F186 L190 | F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 WeakPolarHBondContact O-CB 3.49Å; F186-S188 PolarHBondContact O-N 3.05Å; S188-L190 PolarHBondContact O-N 2.81Å |
| 189 | M | 49.9 | Very low | 49.9 | Very low | 183 Ų | 183 | 119.4 Ų | 119.4 | 90% | 0.901 | 72% | 0.717 | S | S | * | * | S | Bend | | 71.7 | -6.4 | 98.2 | -92.1 | -173.6 | 57.2 | 0 | 0 | 116.6 | | |
| 190 | L | 49.5 | Very low | 51.6 | Low | 153 Ų | 153 | 117.7 Ų | 117.7 | 80% | 0.801 | 70% | 0.699 | S | S | * | * | | | trans | -139.7 | 83.3 | 178.2 | -73.9 | 170.1 | 0 | 0 | 0 | 111.5 | S188 | S188-L190 PolarHBondContact O-N 2.81Š|
| 191 | E | 36.4 | Very low | 52.4 | Low | 166 Ų | 166 | 114.7 Ų | 114.7 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | | | | -140.3 | 100.2 | 129.5 | -132.6 | -172.6 | 167.2 | 0 | 0 | 107.9 | D193 | E191-D193 PolarHBondContact O-N 3.23Å; E191-D193 VanDerWaalsContact O-N 3.12Å |
| 192 | A | 52.6 | Low | 53.6 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | | | trans | -51 | 113.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 193 | D | 48.3 | Very low | 55.1 | Low | 104 Ų | 104 | 112.2 Ų | 112.2 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | | | | 172.8 | 131.9 | 106.3 | -166.9 | 33.5 | 0 | 0 | 0 | 107.1 | E191 R216 | E191-D193 PolarHBondContact O-N 3.23Å; E191-D193 VanDerWaalsContact O-N 3.12Å; D193-R216 PolarHBondContact O-NH1 3.02Å; D193-R216 PolarHBondContact O-NH2 3.05Å; D193-R216 IonicContact OD2-NH2 3.41Å |
| 194 | E | 52.5 | Low | 56 | Low | 75 Ų | 75 | 112.8 Ų | 112.8 | 35% | 0.35 | 68% | 0.678 | S | S | . | * | | | trans | 54.2 | 71 | 142.7 | -154.9 | 160.8 | -133.3 | 0 | 0 | 122.6 | R213 | E194-R213 PolarHBondContact O-NE 3.01Å; E194-R213 PolarHBondContact O-NH2 3.39Å |
| 195 | C | 45.4 | Very low | 57.3 | Low | 100 Ų | 100 | 113 Ų | 113 | 68% | 0.676 | 68% | 0.68 | S | S | * | * | | | trans | -164.8 | 68.4 | 142.5 | -149.2 | 0 | 0 | 0 | 0 | 114.8 | R213 | C195-R213 VanDerWaalsContact CA-CZ 3.49Å; C195-R213 VanDerWaalsContact SG-CZ 3.52Å; C195-R213 PolarHBondContact SG-NH1 3.16Å |
| 196 | G | 54.2 | Low | 57.5 | Low | 48 Ų | 48 | 111.3 Ų | 111.3 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | | | trans | -71.9 | 161 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 197 | P | 60.3 | Low | 58.4 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | | | trans | -56 | 144.3 | 171 | 24.8 | -32.5 | 0 | 0 | 0 | 110.5 | | |
| 198 | E | 60.6 | Low | 59.4 | Low | 180 Ų | 180 | 105.1 Ų | 105.1 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | | | trans | -45.9 | 118.3 | 177.8 | -175.3 | 173.9 | 177.7 | 0 | 0 | 110.2 | D200 | E198-D200 PolarHBondContact O-N 3.24Š|
| 199 | P | 64.9 | Low | 60.3 | Low | 50 Ų | 50 | 107.1 Ų | 107.1 | 33% | 0.325 | 65% | 0.649 | S | S | . | * | | | trans | -67.3 | 130.5 | -173.9 | 0.9 | 5.5 | 0 | 0 | 0 | 110.2 | P201 V206 V208 | P199-P201 VanDerWaalsContact O-CD 3.32Å; P199-P201 WeakPolarHBondContact O-CD 3.31Å; P199-V206 HydrophobicContact CB-CG1 3.39Å; P199-V206 HydrophobicContact CG-CG1 4.35Å; P199-V208 HydrophobicContact CB-CG2 3.89Å; P199-V208 HydrophobicContact CG-CB 4.16Å; P199-V208 HydrophobicContact CG-CG1 3.65Å; P199-V208 HydrophobicContact CG-CG2 3.82Å; P199-V208 VanDerWaalsContact O-CG2 3.24Å; P199-V208 WeakPolarHBondContact O-CG2 3.29Å |
| 200 | D | 72.7 | Confident | 61 | Low | 74 Ų | 74 | 108.1 Ų | 108.1 | 40% | 0.396 | 65% | 0.649 | S | S | . | * | | | trans | -65 | 116.3 | 179.3 | 176.1 | 7.2 | 0 | 0 | 0 | 110.3 | E198 N202 I203 | E198-D200 PolarHBondContact O-N 3.24Å; D200-N202 PolarHBondContact O-N 3.12Å; D200-N202 WeakPolarHBondContact OD1-CB 3.04Å; D200-N202 PolarHBondContact OD1-N 3.45Å; D200-N202 PolarHBondContact OD1-ND2 3.38Å; D200-N202 VanDerWaalsContact OD1-ND2 3.09Å; D200-I203 HydrophobicContact CB-CD1 3.76Å; D200-I203 HydrophobicContact CB-CG1 3.87Å; D200-I203 PolarHBondContact O-N 3.22Å |
| 201 | P | 73.2 | Confident | 61.7 | Low | 98 Ų | 98 | 106.7 Ų | 106.7 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -9.2 | -177 | 30.8 | -35.7 | 0 | 0 | 0 | 113.3 | P199 I203 | P199-P201 VanDerWaalsContact O-CD 3.32Å; P199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-I203 VanDerWaalsContact C-N 3.31Å |
| 202 | N | 76 | Confident | 63 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -2.8 | 175 | -55.8 | -72.6 | 0 | 0 | 0 | 112.7 | D200 P204 | D200-N202 PolarHBondContact O-N 3.12Å; D200-N202 WeakPolarHBondContact OD1-CB 3.04Å; D200-N202 PolarHBondContact OD1-N 3.45Å; D200-N202 PolarHBondContact OD1-ND2 3.38Å; D200-N202 VanDerWaalsContact OD1-ND2 3.09Å; N202-P204 VanDerWaalsContact O-CD 3.25Å; N202-P204 WeakPolarHBondContact O-CD 3.45Å |
| 203 | I | 75.1 | Confident | 63.7 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 45% | 0.446 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -85.1 | 108.8 | 172.2 | -57.5 | 177.8 | 0 | 0 | 0 | 107.9 | D200 P201 G205 V206 | D200-I203 HydrophobicContact CB-CD1 3.76Å; D200-I203 HydrophobicContact CB-CG1 3.87Å; D200-I203 PolarHBondContact O-N 3.22Å; P201-I203 VanDerWaalsContact C-N 3.31Å; I203-G205 PolarHBondContact O-N 2.71Å; I203-G205 VanDerWaalsContact O-N 3.13Å; I203-V206 HydrophobicContact CB-CG2 4.24Å; I203-V206 HydrophobicContact CG2-CG2 3.95Å; I203-V206 PolarHBondContact O-N 3.03Å |
| 204 | P | 74.2 | Confident | 65 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 83% | 0.831 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 121.8 | 178.5 | 23.6 | -31.5 | 0 | 0 | 0 | 109.7 | N202 | N202-P204 VanDerWaalsContact O-CD 3.25Å; N202-P204 WeakPolarHBondContact O-CD 3.45Å |
| 205 | G | 66.6 | Low | 66 | Low | 83 Ų | 83 | 120.1 Ų | 120.1 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.4 | -4.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I203 | I203-G205 PolarHBondContact O-N 2.71Å; I203-G205 VanDerWaalsContact O-N 3.13Å |
| 206 | V | 64.1 | Low | 67.4 | Low | 66 Ų | 66 | 122.7 Ų | 122.7 | 40% | 0.4 | 66% | 0.661 | S | S | . | * | | | trans | -112.3 | 100.1 | 177.8 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | P199 I203 | P199-V206 HydrophobicContact CB-CG1 3.39Å; P199-V206 HydrophobicContact CG-CG1 4.35Å; I203-V206 HydrophobicContact CB-CG2 4.24Å; I203-V206 HydrophobicContact CG2-CG2 3.95Å; I203-V206 PolarHBondContact O-N 3.03Å |
| 207 | A | 62.4 | Low | 68.3 | Low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 68% | 0.677 | S | S | * | * | | | trans | -88.9 | 119.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | V209 | A207-V209 PolarHBondContact O-N 2.66Š|
| 208 | V | 62.8 | Low | 69.3 | Low | 72 Ų | 72 | 129.9 Ų | 129.9 | 44% | 0.436 | 68% | 0.676 | S | S | . | * | | | trans | -89.5 | 96.4 | 177.7 | -157.2 | 0 | 0 | 0 | 0 | 109.8 | P199 | P199-V208 HydrophobicContact CB-CG2 3.89Å; P199-V208 HydrophobicContact CG-CB 4.16Å; P199-V208 HydrophobicContact CG-CG1 3.65Å; P199-V208 HydrophobicContact CG-CG2 3.82Å; P199-V208 VanDerWaalsContact O-CG2 3.24Å; P199-V208 WeakPolarHBondContact O-CG2 3.29Å |
| 209 | V | 64.6 | Low | 70.3 | Confident | 128 Ų | 128 | 128.3 Ų | 128.3 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | | | trans | -77.9 | 127.6 | 168.8 | 172.4 | 0 | 0 | 0 | 0 | 108.8 | A207 E211 | A207-V209 PolarHBondContact O-N 2.66Å; V209-E211 PolarHBondContact O-N 3.12Å |
| 210 | K | 65 | Low | 71.1 | Confident | 205 Ų | 205 | 134.4 Ų | 134.4 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | | | trans | -70.6 | 93.7 | -178.3 | -176.8 | -177.8 | 177.8 | 177.2 | 0 | 110.9 | | |
| 211 | E | 63.8 | Low | 71.6 | Confident | 122 Ų | 122 | 135.6 Ų | 135.6 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | | | trans | -93.9 | 128.8 | 172.7 | -176.5 | 145.4 | -169.5 | 0 | 0 | 112.7 | V209 R213 | V209-E211 PolarHBondContact O-N 3.12Å; E211-R213 PolarHBondContact O-N 3.31Å; E211-R213 VanDerWaalsContact O-N 3.14Å |
| 212 | K | 64.3 | Low | 72.5 | Confident | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | | | trans | -79.2 | 83.9 | 177 | 48.9 | -163.4 | 165.6 | -175.6 | 0 | 110.3 | K214 | K212-K214 PolarHBondContact O-N 3.38Š|
| 213 | R | 67.6 | Low | 73.3 | Confident | 131 Ų | 131 | 133.7 Ų | 133.7 | 49% | 0.494 | 69% | 0.687 | S | S | . | * | | | trans | -61.3 | 115.1 | 178.3 | -72.4 | -172.9 | 157.5 | 128.8 | 15.1 | 111.9 | E194 C195 E211 | E194-R213 PolarHBondContact O-NE 3.01Å; E194-R213 PolarHBondContact O-NH2 3.39Å; C195-R213 VanDerWaalsContact CA-CZ 3.49Å; C195-R213 VanDerWaalsContact SG-CZ 3.52Å; C195-R213 PolarHBondContact SG-NH1 3.16Å; E211-R213 PolarHBondContact O-N 3.31Å; E211-R213 VanDerWaalsContact O-N 3.14Å |
| 214 | K | 73.8 | Confident | 74.3 | Confident | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 149 | 172.6 | -66.1 | 175.1 | -179.3 | 171.6 | 0 | 109.7 | K212 R216 | K212-K214 PolarHBondContact O-N 3.38Å; K214-R216 PolarHBondContact O-N 2.97Å; K214-R216 VanDerWaalsContact O-N 3.12Å |
| 215 | K | 74.4 | Confident | 75.2 | Confident | 215 Ų | 215 | 135.5 Ų | 135.5 | 94% | 0.935 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.8 | 176.5 | -66.2 | 179.7 | -179 | 177.9 | 0 | 109.3 | K217 | K215-K217 PolarHBondContact O-N 2.96Š|
| 216 | R | 74.6 | Confident | 76.6 | Confident | 153 Ų | 153 | 135.8 Ų | 135.8 | 58% | 0.577 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.8 | 175.2 | -70.5 | -175.7 | 158.8 | -172.6 | -8.5 | 109.3 | D193 K214 V218 | D193-R216 PolarHBondContact O-NH1 3.02Å; D193-R216 PolarHBondContact O-NH2 3.05Å; D193-R216 IonicContact OD2-NH2 3.41Å; K214-R216 PolarHBondContact O-N 2.97Å; K214-R216 VanDerWaalsContact O-N 3.12Å; R216-V218 PolarHBondContact O-N 3.27Å |
| 217 | K | 73.9 | Confident | 78.2 | Confident | 193 Ų | 193 | 139.2 Ų | 139.2 | 84% | 0.839 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.7 | 172.1 | -164.1 | 168.7 | -180 | -174.8 | 0 | 106.4 | K215 Q219 | K215-K217 PolarHBondContact O-N 2.96Å; K217-Q219 PolarHBondContact O-N 3.02Å |
| 218 | V | 79.8 | Confident | 79.8 | Confident | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.4 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | R216 Q220 | R216-V218 PolarHBondContact O-N 3.27Å; V218-Q220 PolarHBondContact O-N 3.45Å; V218-Q220 VanDerWaalsContact O-N 3.16Å |
| 219 | Q | 82.1 | Confident | 81.4 | Confident | 148 Ų | 148 | 140.3 Ų | 140.3 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120.2 | 176.6 | -61.4 | -164.6 | 50 | 0 | 0 | 107.6 | K217 I221 | K217-Q219 PolarHBondContact O-N 3.02Å; Q219-I221 PolarHBondContact O-N 3.23Å |
| 220 | Q | 82.3 | Confident | 83 | Confident | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | | | trans | -78.6 | 109.4 | 178.7 | -176.2 | 173.7 | -11.2 | 0 | 0 | 107 | V218 | V218-Q220 PolarHBondContact O-N 3.45Å; V218-Q220 VanDerWaalsContact O-N 3.16Å |
| 221 | I | 83.8 | Confident | 84.5 | Confident | 99 Ų | 99 | 129.3 Ų | 129.3 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | | | trans | -70.7 | 138.2 | 176.3 | -55.4 | 172.8 | 0 | 0 | 0 | 108 | Q219 E225 L226 | Q219-I221 PolarHBondContact O-N 3.23Å; I221-E225 HydrophobicContact CG2-CB 4.15Å; I221-L226 HydrophobicContact CB-CG 4.49Å; I221-L226 HydrophobicContact CG2-CD2 4.08Å; I221-L226 HydrophobicContact CG2-CG 3.92Å |
| 222 | N | 91.2 | Very high | 86.1 | Confident | 95 Ų | 95 | 129.5 Ų | 129.5 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | | | trans | -66.5 | 141.2 | 177.7 | -63.4 | -47.9 | 0 | 0 | 0 | 109.8 | E224 E225 L226 | N222-E224 VanDerWaalsContact C-N 3.25Å; N222-E224 PolarHBondContact O-N 3.47Å; N222-E225 HydrophobicContact CB-CB 4.41Å; N222-E225 HydrophobicContact CB-CG 4.04Å; N222-E225 PolarHBondContact ND2-OE1 3.32Å; N222-E225 WeakPolarHBondContact O-CB 3.39Å; N222-E225 PolarHBondContact O-N 3.26Å; N222-L226 PolarHBondContact O-N 3.49Å |
| 223 | T | 93.4 | Very high | 87.7 | Confident | 101 Ų | 101 | 126.3 Ų | 126.3 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.7 | -36 | -178.6 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | E225 L226 E227 | T223-E225 VanDerWaalsContact C-N 3.35Å; T223-E225 PolarHBondContact O-N 3.24Å; T223-L226 WeakPolarHBondContact O-CB 3.45Å; T223-L226 PolarHBondContact O-N 3.19Å; T223-E227 WeakPolarHBondContact O-CG 3.48Å; T223-E227 PolarHBondContact O-N 3.39Å |
| 224 | E | 95.3 | Very high | 89.1 | Confident | 147 Ų | 147 | 124.5 Ų | 124.5 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.4 | -39.2 | 177.7 | -62.3 | 174.6 | -171.4 | 0 | 0 | 111.7 | N222 L226 E227 V228 | N222-E224 VanDerWaalsContact C-N 3.25Å; N222-E224 PolarHBondContact O-N 3.47Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3Å; E224-E227 PolarHBondContact O-N 3.36Å; E224-V228 WeakPolarHBondContact O-CG2 3.45Å; E224-V228 PolarHBondContact O-N 3.43Å |
| 225 | E | 94.4 | Very high | 90.1 | Very high | 105 Ų | 105 | 117.9 Ų | 117.9 | 49% | 0.491 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.5 | -38.9 | 175.9 | -68.9 | 168.7 | -161.6 | 0 | 0 | 111.5 | I221 N222 T223 E227 V228 L229 | I221-E225 HydrophobicContact CG2-CB 4.15Å; N222-E225 HydrophobicContact CB-CB 4.41Å; N222-E225 HydrophobicContact CB-CG 4.04Å; N222-E225 PolarHBondContact ND2-OE1 3.32Å; N222-E225 WeakPolarHBondContact O-CB 3.39Å; N222-E225 PolarHBondContact O-N 3.26Å; T223-E225 VanDerWaalsContact C-N 3.35Å; T223-E225 PolarHBondContact O-N 3.24Å; E225-E227 VanDerWaalsContact C-N 3.35Å; E225-V228 PolarHBondContact O-N 3.08Å; E225-L229 WeakPolarHBondContact O-CB 3.5Å; E225-L229 PolarHBondContact O-N 2.98Å |
| 226 | L | 95.3 | Very high | 91 | Very high | 89 Ų | 89 | 113.9 Ų | 113.9 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.2 | -40.6 | 174.1 | -70.8 | 172.7 | 0 | 0 | 0 | 111.8 | I221 N222 T223 E224 L229 A230 | I221-L226 HydrophobicContact CB-CG 4.49Å; I221-L226 HydrophobicContact CG2-CD2 4.08Å; I221-L226 HydrophobicContact CG2-CG 3.92Å; N222-L226 PolarHBondContact O-N 3.49Å; T223-L226 WeakPolarHBondContact O-CB 3.45Å; T223-L226 PolarHBondContact O-N 3.19Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3Å; L226-L229 PolarHBondContact O-N 3.35Å; L226-A230 WeakPolarHBondContact O-CB 3.2Å; L226-A230 PolarHBondContact O-N 3.06Å |
| 227 | E | 96.9 | Very high | 92 | Very high | 138 Ų | 138 | 113.6 Ų | 113.6 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66 | -41.4 | 177.9 | -73.5 | 178 | -172.2 | 0 | 0 | 112.1 | T223 E224 E225 A230 A231 | T223-E227 WeakPolarHBondContact O-CG 3.48Å; T223-E227 PolarHBondContact O-N 3.39Å; E224-E227 PolarHBondContact O-N 3.36Å; E225-E227 VanDerWaalsContact C-N 3.35Å; E227-A230 PolarHBondContact O-N 3.46Å; E227-A231 WeakPolarHBondContact O-CB 2.98Å; E227-A231 PolarHBondContact O-N 2.94Å |
| 228 | V | 97 | Very high | 93 | Very high | 98 Ų | 98 | 111.8 Ų | 111.8 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.1 | -45.7 | 175 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | E224 E225 A230 A231 Q232 | E224-V228 WeakPolarHBondContact O-CG2 3.45Å; E224-V228 PolarHBondContact O-N 3.43Å; E225-V228 PolarHBondContact O-N 3.08Å; V228-A230 VanDerWaalsContact C-N 3.34Å; V228-A230 PolarHBondContact O-N 3.38Å; V228-A231 WeakPolarHBondContact O-CB 3.34Å; V228-A231 PolarHBondContact O-N 3.28Å; V228-Q232 PolarHBondContact O-N 3.49Å |
| 229 | L | 96.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 112.6 Ų | 112.6 | 48% | 0.482 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.3 | -43.1 | 178.3 | -176.6 | 63.6 | 0 | 0 | 0 | 111.5 | E225 L226 A231 Q232 M233 | E225-L229 WeakPolarHBondContact O-CB 3.5Å; E225-L229 PolarHBondContact O-N 2.98Å; L226-L229 PolarHBondContact O-N 3.35Å; L229-A231 VanDerWaalsContact C-N 3.34Å; L229-A231 PolarHBondContact O-N 3.47Å; L229-Q232 PolarHBondContact O-N 3.02Å; L229-M233 WeakPolarHBondContact O-CG 3.43Å; L229-M233 PolarHBondContact O-N 3.17Å |
| 230 | A | 96.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 108.4 Ų | 108.4 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L226 E227 V228 Q232 M233 N234 | L226-A230 WeakPolarHBondContact O-CB 3.2Å; L226-A230 PolarHBondContact O-N 3.06Å; E227-A230 PolarHBondContact O-N 3.46Å; V228-A230 VanDerWaalsContact C-N 3.34Å; V228-A230 PolarHBondContact O-N 3.38Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.09Å; A230-M233 PolarHBondContact O-N 3.48Å; A230-N234 VanDerWaalsContact O-CB 3.27Å; A230-N234 WeakPolarHBondContact O-CB 3.39Å; A230-N234 PolarHBondContact O-N 3.38Å; A230-N234 PolarHBondContact O-ND2 2.96Å; A230-N234 VanDerWaalsContact O-ND2 3.08Å |
| 231 | A | 97.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 106.8 Ų | 106.8 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E227 V228 L229 N234 A235 | E227-A231 WeakPolarHBondContact O-CB 2.98Å; E227-A231 PolarHBondContact O-N 2.94Å; V228-A231 WeakPolarHBondContact O-CB 3.34Å; V228-A231 PolarHBondContact O-N 3.28Å; L229-A231 VanDerWaalsContact C-N 3.34Å; L229-A231 PolarHBondContact O-N 3.47Å; A231-N234 PolarHBondContact O-N 3.46Å; A231-A235 WeakPolarHBondContact O-CB 3.37Å; A231-A235 PolarHBondContact O-N 2.79Å |
| 232 | Q | 97.4 | Very high | 94 | Very high | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.9 | -50.7 | 177.1 | -176.6 | 178.6 | -5.1 | 0 | 0 | 112 | V228 L229 A230 N234 A235 E236 | V228-Q232 PolarHBondContact O-N 3.49Å; L229-Q232 PolarHBondContact O-N 3.02Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.09Å; Q232-N234 VanDerWaalsContact C-N 3.3Å; Q232-N234 PolarHBondContact O-N 3.04Å; Q232-A235 WeakPolarHBondContact O-CB 3.27Å; Q232-A235 PolarHBondContact O-N 3.49Å; Q232-A235 VanDerWaalsContact O-N 3.09Å; Q232-E236 PolarHBondContact O-N 3.2Å; Q232-E236 VanDerWaalsContact O-N 3.09Å |
| 233 | M | 97.7 | Very high | 93.7 | Very high | 123 Ų | 123 | 112.1 Ų | 112.1 | 61% | 0.606 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61 | -40.4 | 178 | -67.8 | -177.2 | 70.5 | 0 | 0 | 112 | L229 A230 A235 E236 F237 | L229-M233 WeakPolarHBondContact O-CG 3.43Å; L229-M233 PolarHBondContact O-N 3.17Å; A230-M233 PolarHBondContact O-N 3.48Å; M233-A235 VanDerWaalsContact C-N 3.28Å; M233-A235 PolarHBondContact O-N 2.89Å; M233-E236 PolarHBondContact O-N 3.23Å; M233-F237 PolarHBondContact O-N 3.34Å |
| 234 | N | 95.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 115.7 Ų | 115.7 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -29.7 | 176.9 | -72.7 | -26.7 | 0 | 0 | 0 | 112.5 | A230 A231 Q232 R238 | A230-N234 VanDerWaalsContact O-CB 3.27Å; A230-N234 WeakPolarHBondContact O-CB 3.39Å; A230-N234 PolarHBondContact O-N 3.38Å; A230-N234 PolarHBondContact O-ND2 2.96Å; A230-N234 VanDerWaalsContact O-ND2 3.08Å; A231-N234 PolarHBondContact O-N 3.46Å; Q232-N234 VanDerWaalsContact C-N 3.3Å; Q232-N234 PolarHBondContact O-N 3.04Å; N234-R238 WeakPolarHBondContact O-CG 3.5Å; N234-R238 PolarHBondContact O-N 3.47Å |
| 235 | A | 96.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 114.9 Ų | 114.9 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A231 Q232 M233 F237 R238 E239 | A231-A235 WeakPolarHBondContact O-CB 3.37Å; A231-A235 PolarHBondContact O-N 2.79Å; Q232-A235 WeakPolarHBondContact O-CB 3.27Å; Q232-A235 PolarHBondContact O-N 3.49Å; Q232-A235 VanDerWaalsContact O-N 3.09Å; M233-A235 VanDerWaalsContact C-N 3.28Å; M233-A235 PolarHBondContact O-N 2.89Å; A235-F237 VanDerWaalsContact C-N 3.3Å; A235-F237 PolarHBondContact O-N 3.5Å; A235-R238 PolarHBondContact O-N 3.23Å; A235-R238 VanDerWaalsContact O-N 3.16Å; A235-E239 PolarHBondContact O-N 3Å |
| 236 | E | 93.4 | Very high | 92.2 | Very high | 131 Ų | 131 | 115.2 Ų | 115.2 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.6 | -42.1 | 176.5 | -175.2 | 177.6 | 176.4 | 0 | 0 | 111.6 | Q232 M233 R238 E239 A240 | Q232-E236 PolarHBondContact O-N 3.2Å; Q232-E236 VanDerWaalsContact O-N 3.09Å; M233-E236 PolarHBondContact O-N 3.23Å; E236-R238 VanDerWaalsContact C-N 3.33Å; E236-R238 PolarHBondContact O-N 3.06Å; E236-E239 PolarHBondContact O-N 3.23Å; E236-A240 PolarHBondContact O-N 3.21Å |
| 237 | F | 95.8 | Very high | 91.5 | Very high | 147 Ų | 147 | 116.6 Ų | 116.6 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.3 | -38.2 | 177.6 | -170.2 | -93.5 | 0 | 0 | 0 | 113 | M233 A235 E239 A240 E241 | M233-F237 PolarHBondContact O-N 3.34Å; A235-F237 VanDerWaalsContact C-N 3.3Å; A235-F237 PolarHBondContact O-N 3.5Å; F237-E239 VanDerWaalsContact C-N 3.33Å; F237-A240 CarbonylContact O-C 3.56Å; F237-A240 PolarHBondContact O-N 3.01Å; F237-E241 PolarHBondContact O-N 3.34Å |
| 238 | R | 93 | Very high | 90.2 | Very high | 155 Ų | 155 | 122.4 Ų | 122.4 | 59% | 0.585 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.7 | -36.5 | 177.5 | -71.3 | 176.8 | -146.1 | 163.3 | 4.5 | 112.1 | N234 A235 E236 E241 Q242 | N234-R238 WeakPolarHBondContact O-CG 3.5Å; N234-R238 PolarHBondContact O-N 3.47Å; A235-R238 PolarHBondContact O-N 3.23Å; A235-R238 VanDerWaalsContact O-N 3.16Å; E236-R238 VanDerWaalsContact C-N 3.33Å; E236-R238 PolarHBondContact O-N 3.06Å; R238-E241 PolarHBondContact O-N 3.38Å; R238-Q242 WeakPolarHBondContact O-CG 3.4Å; R238-Q242 PolarHBondContact O-N 3.09Å |
| 239 | E | 89.3 | Confident | 89.9 | Confident | 149 Ų | 149 | 123.7 Ų | 123.7 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.5 | -45.3 | 174.9 | -175.5 | 179.2 | 172.8 | 0 | 0 | 110.4 | A235 E236 F237 E241 Q242 | A235-E239 PolarHBondContact O-N 3Å; E236-E239 PolarHBondContact O-N 3.23Å; F237-E239 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 3.16Å; E239-Q242 PolarHBondContact O-N 2.96Å |
| 240 | A | 87.5 | Confident | 89.5 | Confident | 60 Ų | 60 | 125.3 Ų | 125.3 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.8 | -11 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E236 F237 F243 | E236-A240 PolarHBondContact O-N 3.21Å; F237-A240 CarbonylContact O-C 3.56Å; F237-A240 PolarHBondContact O-N 3.01Å; A240-F243 WeakPolarHBondContact O-CD1 3.44Å; A240-F243 WeakPolarHBondContact O-CE1 3.07Å |
| 241 | E | 86.3 | Confident | 89.1 | Confident | 142 Ų | 142 | 129.8 Ų | 129.8 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.5 | -21.2 | 170 | -169.7 | 174.6 | -170.1 | 0 | 0 | 111.7 | F237 R238 E239 | F237-E241 PolarHBondContact O-N 3.34Å; R238-E241 PolarHBondContact O-N 3.38Å; E239-E241 PolarHBondContact O-N 3.16Å |
| 242 | Q | 87.5 | Confident | 88.6 | Confident | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | | | trans | -91 | 9 | -173.8 | -70.4 | 176.6 | 7.1 | 0 | 0 | 114.3 | R238 E239 E244 | R238-Q242 WeakPolarHBondContact O-CG 3.4Å; R238-Q242 PolarHBondContact O-N 3.09Å; E239-Q242 PolarHBondContact O-N 2.96Å; Q242-E244 PolarHBondContact O-N 3.28Å |
| 243 | F | 84.4 | Confident | 88.1 | Confident | 145 Ų | 145 | 134.6 Ų | 134.6 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | | | trans | -68.4 | 132.1 | 177.2 | 69.9 | -93.7 | 0 | 0 | 0 | 111.1 | A240 L245 | A240-F243 WeakPolarHBondContact O-CD1 3.44Å; A240-F243 WeakPolarHBondContact O-CE1 3.07Å; F243-L245 HydrophobicContact CD2-CB 4.44Å; F243-L245 HydrophobicContact CE2-CB 4.21Å; F243-L245 HydrophobicContact CE2-CD1 4.44Å; F243-L245 PolarHBondContact O-N 3.38Å |
| 244 | E | 82.6 | Confident | 87.4 | Confident | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | | | trans | -78.7 | 108.9 | 172.2 | -173.3 | 173 | -171.3 | 0 | 0 | 108.8 | Q242 V246 | Q242-E244 PolarHBondContact O-N 3.28Å; E244-V246 HydrophobicContact CG-CG2 4.43Å; E244-V246 PolarHBondContact O-N 3.39Å |
| 245 | L | 83.9 | Confident | 86.8 | Confident | 130 Ų | 130 | 138.4 Ų | 138.4 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | | | trans | -74.1 | 97.1 | 175.2 | -177.3 | 66 | 0 | 0 | 0 | 109.6 | F243 V247 | F243-L245 HydrophobicContact CD2-CB 4.44Å; F243-L245 HydrophobicContact CE2-CB 4.21Å; F243-L245 HydrophobicContact CE2-CD1 4.44Å; F243-L245 PolarHBondContact O-N 3.38Å; L245-V247 HydrophobicContact CD2-CG2 4.36Å; L245-V247 HydrophobicContact CG-CG2 4.14Å |
| 246 | V | 83.9 | Confident | 86.1 | Confident | 112 Ų | 112 | 145.2 Ų | 145.2 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | | | trans | -80.9 | 123 | 169.4 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | E244 | E244-V246 HydrophobicContact CG-CG2 4.43Å; E244-V246 PolarHBondContact O-N 3.39Å |
| 247 | V | 81.1 | Confident | 85.5 | Confident | 118 Ų | 118 | 146.3 Ų | 146.3 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | | | trans | -107.9 | 120.1 | 173.3 | -177 | 0 | 0 | 0 | 0 | 107.6 | L245 | L245-V247 HydrophobicContact CD2-CG2 4.36Å; L245-V247 HydrophobicContact CG-CG2 4.14Å |
| 248 | E | 70.3 | Confident | 84.5 | Confident | 260 Ų | 260 | 146.3 Ų | 146.3 | 100% | 1.215 | 72% | 0.722 | S | S | * | * | | | trans | -74.5 | 0 | 175 | -65.3 | -178 | 173.5 | 0 | 0 | 112.8 | | |