| 1 | N | 36.8 | Very low | 44.6 | Very low | 223 Ų | 223 | 147.7 Ų | 147.7 | 100% | 1.193 | 83% | 0.834 | S | S | * | * | | | | 0 | 104.2 | 0 | -79.1 | -42.8 | 0 | 0 | 0 | 108.1 | | |
| 2 | T | 35.8 | Very low | 44.8 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77 | 144.4 | -173.6 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 3 | A | 44.7 | Very low | 45.8 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 167.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 4 | A | 44.8 | Very low | 45.9 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 148.2 | -164 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 5 | S | 45.3 | Very low | 46.4 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | | | trans | 14 | 145.6 | 144.2 | -113.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 6 | L | 49.4 | Very low | 47.1 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 72% | 0.723 | 83% | 0.832 | S | S | * | * | | | trans | 80.9 | 92.6 | 145.1 | -66.3 | 161 | 0 | 0 | 0 | 119.1 | | |
| 7 | Q | 45.4 | Very low | 48.2 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | | | trans | -134.4 | 102.9 | 135.9 | -93.6 | -175 | -54.9 | 0 | 0 | 108.8 | N9 | Q7-N9 PolarHBondContact O-N 2.9Š|
| 8 | Q | 47.2 | Very low | 48.8 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | | | trans | -63.7 | 110.3 | 165 | -69 | 172.1 | -47.6 | 0 | 0 | 107.3 | E10 | Q8-E10 PolarHBondContact O-N 3.45Š|
| 9 | N | 43 | Very low | 49.4 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 65% | 0.652 | 83% | 0.829 | S | S | * | * | | | trans | -90.3 | 92.7 | 178.7 | 178.6 | 77.4 | 0 | 0 | 0 | 109.9 | Q7 N11 | Q7-N9 PolarHBondContact O-N 2.9Å; N9-N11 PolarHBondContact O-N 2.9Å; N9-N11 VanDerWaalsContact O-N 3.08Å; N9-N11 PolarHBondContact O-ND2 2.78Å |
| 10 | E | 46.3 | Very low | 50.3 | Low | 169 Ų | 169 | 145.1 Ų | 145.1 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | 13.9 | 79.7 | 135.3 | -61.5 | 172.9 | 106.2 | 0 | 0 | 116 | Q8 | Q8-E10 PolarHBondContact O-N 3.45Š|
| 11 | N | 52.5 | Low | 50.7 | Low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | trans | -126.7 | 19.6 | 161.1 | 63.3 | 90.6 | 0 | 0 | 0 | 112.8 | N9 | N9-N11 PolarHBondContact O-N 2.9Å; N9-N11 VanDerWaalsContact O-N 3.08Å; N9-N11 PolarHBondContact O-ND2 2.78Å |
| 12 | E | 46.2 | Very low | 51.4 | Low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -95.7 | 76.5 | 169.5 | 53.8 | -162.8 | 94.1 | 0 | 0 | 110.4 | | |
| 13 | S | 57.9 | Low | 52.1 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | 173.5 | 82.1 | 152.3 | -83.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 14 | Q | 47.9 | Very low | 52.7 | Low | 198 Ų | 198 | 145.5 Ų | 145.5 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -138.1 | 85.6 | 146.4 | -67.4 | -68.4 | -70.8 | 0 | 0 | 107 | | |
| 15 | V | 52.3 | Low | 53.4 | Low | 146 Ų | 146 | 145.6 Ų | 145.6 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -81.8 | 123.2 | 160 | -53.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 16 | S | 58.4 | Low | 53.9 | Low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -151.2 | 123.8 | 160.8 | -172.7 | 0 | 0 | 0 | 0 | 110 | | |
| 17 | T | 64.9 | Low | 54.1 | Low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | trans | -52.8 | 138.1 | 177.3 | -41.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 18 | D | 60.1 | Low | 54.5 | Low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | | | trans | -148.1 | 125 | 147 | -173.9 | -125.3 | 0 | 0 | 0 | 110 | S20 | D18-S20 PolarHBondContact O-N 2.89Š|
| 19 | E | 59.1 | Low | 54.8 | Low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -80.1 | 101.8 | 173.7 | -75.8 | -136.8 | 98.6 | 0 | 0 | 109.7 | | |
| 20 | S | 68.8 | Low | 55.6 | Low | 84 Ų | 84 | 140.9 Ų | 140.9 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | | | trans | -116.1 | 93.7 | 168.9 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | D18 | D18-S20 PolarHBondContact O-N 2.89Š|
| 21 | E | 58.4 | Low | 55.8 | Low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | 48.8 | 105.7 | 141.8 | 73.4 | -159.9 | 91.5 | 0 | 0 | 120.2 | | |
| 22 | N | 52.1 | Low | 56.1 | Low | 119 Ų | 119 | 139.8 Ų | 139.8 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -5.6 | 117.7 | 140.6 | 174.4 | 90.3 | 0 | 0 | 0 | 115.8 | R24 | N22-R24 VanDerWaalsContact C-N 3.3Å; N22-R24 WeakPolarHBondContact ND2-CB 3.37Å; N22-R24 PolarHBondContact ND2-N 3.48Å; N22-R24 PolarHBondContact O-N 3.39Å |
| 23 | P | 49.1 | Very low | 56.4 | Low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -71.7 | 90.9 | 163.8 | 29.3 | -30.8 | 0 | 0 | 0 | 108.5 | S25 | P23-S25 PolarHBondContact O-N 2.96Š|
| 24 | R | 57.8 | Low | 56.3 | Low | 217 Ų | 217 | 141.2 Ų | 141.2 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | trans | -71.4 | 82.5 | 159.4 | 173.4 | 142.7 | -94.1 | 137.7 | -3.8 | 105.9 | N22 | N22-R24 VanDerWaalsContact C-N 3.3Å; N22-R24 WeakPolarHBondContact ND2-CB 3.37Å; N22-R24 PolarHBondContact ND2-N 3.48Å; N22-R24 PolarHBondContact O-N 3.39Å |
| 25 | S | 59.8 | Low | 56.7 | Low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -64.9 | 130.3 | 166.5 | -168.4 | 0 | 0 | 0 | 0 | 108 | P23 G27 | P23-S25 PolarHBondContact O-N 2.96Å; S25-G27 PolarHBondContact O-N 3.46Å |
| 26 | P | 55.2 | Low | 57.1 | Low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | trans | -61.1 | 127.4 | 178.2 | -14.7 | 27.7 | 0 | 0 | 0 | 108.4 | N28 | P26-N28 PolarHBondContact O-N 3.38Š|
| 27 | G | 52.9 | Low | 56.9 | Low | 88 Ų | 88 | 137.8 Ų | 137.8 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | | | trans | -57.6 | 108.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108.4 | S25 | S25-G27 PolarHBondContact O-N 3.46Š|
| 28 | N | 53.8 | Low | 56.6 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -112.1 | 127.3 | 159.6 | 68.4 | 5.4 | 0 | 0 | 0 | 109.2 | P26 | P26-N28 PolarHBondContact O-N 3.38Š|
| 29 | K | 53.8 | Low | 56.4 | Low | 196 Ų | 196 | 131.1 Ų | 131.1 | 85% | 0.852 | 73% | 0.728 | S | S | * | * | | | trans | -68.6 | 137.4 | 178.1 | -85.3 | 164.5 | 163.8 | 170.3 | 0 | 109.5 | | |
| 30 | S | 59.7 | Low | 56 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | trans | 24.5 | 107.3 | 149.1 | 63.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 31 | D | 51 | Low | 55.5 | Low | 147 Ų | 147 | 133.9 Ų | 133.9 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | | | trans | -118.3 | 112 | 139.2 | -75.8 | -57.8 | 0 | 0 | 0 | 107.7 | I33 | D31-I33 HydrophobicContact CB-CG1 4.47Å; D31-I33 PolarHBondContact O-N 3.32Å |
| 32 | N | 57.8 | Low | 55.7 | Low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | | | trans | -64.8 | 79.5 | 167.9 | -175.2 | -99.2 | 0 | 0 | 0 | 107.5 | K34 | N32-K34 PolarHBondContact O-N 3.42Š|
| 33 | I | 53.8 | Low | 56.4 | Low | 145 Ų | 145 | 133.2 Ų | 133.2 | 74% | 0.744 | 73% | 0.727 | S | S | * | * | | | trans | -73.4 | 81.2 | 162.3 | -51.4 | -178.4 | 0 | 0 | 0 | 104.9 | D31 P35 | D31-I33 HydrophobicContact CB-CG1 4.47Å; D31-I33 PolarHBondContact O-N 3.32Å; I33-P35 WeakPolarHBondContact O-CD 2.97Å |
| 34 | K | 54.8 | Low | 57.7 | Low | 158 Ų | 158 | 132.3 Ų | 132.3 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | | | trans | -51.3 | 112.9 | 160.4 | 178.3 | 167.6 | 168.9 | -177 | 0 | 105.2 | N32 K36 | N32-K34 PolarHBondContact O-N 3.42Å; K34-K36 PolarHBondContact O-N 2.97Å |
| 35 | P | 57 | Low | 58.4 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | | | trans | -57.2 | 114.2 | 167 | 23.9 | -29.8 | 0 | 0 | 0 | 104.2 | I33 S37 | I33-P35 WeakPolarHBondContact O-CD 2.97Å; P35-S37 PolarHBondContact O-N 2.99Å |
| 36 | K | 60.7 | Low | 59.1 | Low | 202 Ų | 202 | 127.6 Ų | 127.6 | 88% | 0.878 | 71% | 0.71 | S | S | * | * | | | trans | -63.2 | 85 | 169 | -178.3 | 172.8 | 167.6 | -172.4 | 0 | 103.9 | K34 A38 | K34-K36 PolarHBondContact O-N 2.97Å; K36-A38 PolarHBondContact O-N 3Å |
| 37 | S | 54.8 | Low | 59.9 | Low | 83 Ų | 83 | 128.2 Ų | 128.2 | 58% | 0.58 | 71% | 0.714 | S | S | * | * | | | trans | -60 | 97.9 | 171.4 | 44.9 | 0 | 0 | 0 | 0 | 104.5 | P35 P39 | P35-S37 PolarHBondContact O-N 2.99Å; S37-P39 VanDerWaalsContact C-N 3.26Å; S37-P39 WeakPolarHBondContact O-CD 3.26Å |
| 38 | A | 57.2 | Low | 61 | Low | 78 Ų | 78 | 129.3 Ų | 129.3 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | | | trans | -47.2 | 110.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 103.5 | K36 W40 | K36-A38 PolarHBondContact O-N 3Å; A38-W40 PolarHBondContact O-N 2.87Å |
| 39 | P | 55.8 | Low | 62 | Low | 57 Ų | 57 | 128.2 Ų | 128.2 | 37% | 0.37 | 71% | 0.706 | S | S | . | * | | | trans | -68.8 | 114.4 | -167.7 | -12.7 | 27.2 | 0 | 0 | 0 | 103.9 | S37 N41 S42 | S37-P39 VanDerWaalsContact C-N 3.26Å; S37-P39 WeakPolarHBondContact O-CD 3.26Å; P39-N41 HydrophobicContact CB-CB 3.68Å; P39-N41 PolarHBondContact O-N 2.87Å; P39-S42 WeakPolarHBondContact O-CB 3.3Å; P39-S42 PolarHBondContact O-N 3.07Å; P39-S42 PolarHBondContact O-OG 2.87Å |
| 40 | W | 51.3 | Low | 62.8 | Low | 218 Ų | 218 | 127.2 Ų | 127.2 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -49.5 | -17.5 | 157.6 | -67.2 | 82.2 | 0 | 0 | 0 | 110.6 | A38 S42 | A38-W40 PolarHBondContact O-N 2.87Å; W40-S42 VanDerWaalsContact C-N 3.3Å; W40-S42 PolarHBondContact O-N 3.29Å |
| 41 | N | 58.8 | Low | 62.9 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 57% | 0.567 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -65.5 | -11.2 | 166.9 | -49.6 | -61.9 | 0 | 0 | 0 | 116.5 | P39 F43 L44 | P39-N41 HydrophobicContact CB-CB 3.68Å; P39-N41 PolarHBondContact O-N 2.87Å; N41-F43 PolarHBondContact O-N 3.26Å; N41-L44 HydrophobicContact CB-CD1 4.17Å; N41-L44 WeakPolarHBondContact O-CB 3.32Å; N41-L44 PolarHBondContact O-N 2.91Å; N41-L44 VanDerWaalsContact O-N 3.14Å; N41-L44 WeakPolarHBondContact OD1-CD1 3.47Å |
| 42 | S | 62.9 | Low | 63.3 | Low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -73.3 | -18.5 | 175 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | P39 W40 L44 | P39-S42 WeakPolarHBondContact O-CB 3.3Å; P39-S42 PolarHBondContact O-N 3.07Å; P39-S42 PolarHBondContact O-OG 2.87Å; W40-S42 VanDerWaalsContact C-N 3.3Å; W40-S42 PolarHBondContact O-N 3.29Å; S42-L44 VanDerWaalsContact C-N 3.3Å |
| 43 | F | 66.3 | Low | 63.2 | Low | 175 Ų | 175 | 123 Ų | 123 | 77% | 0.768 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -83 | -10.4 | 169 | -60.6 | -73.1 | 0 | 0 | 0 | 112.7 | N41 | N41-F43 PolarHBondContact O-N 3.26Š|
| 44 | L | 75.6 | Confident | 62.9 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 55% | 0.55 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -85.9 | 136.6 | 177.8 | -57.2 | 178.4 | 0 | 0 | 0 | 108.9 | N41 S42 | N41-L44 HydrophobicContact CB-CD1 4.17Å; N41-L44 WeakPolarHBondContact O-CB 3.32Å; N41-L44 PolarHBondContact O-N 2.91Å; N41-L44 VanDerWaalsContact O-N 3.14Å; N41-L44 WeakPolarHBondContact OD1-CD1 3.47Å; S42-L44 VanDerWaalsContact C-N 3.3Å |
| 45 | P | 72.9 | Confident | 63 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.2 | 171.7 | 25.6 | -33.2 | 0 | 0 | 0 | 109.7 | | |
| 46 | P | 75.8 | Confident | 62.7 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 141.3 | 178.3 | 24 | -33.1 | 0 | 0 | 0 | 109.9 | | |
| 47 | P | 72.3 | Confident | 62.8 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 141.2 | 179.5 | 24.3 | -33 | 0 | 0 | 0 | 109.9 | | |
| 48 | P | 75.8 | Confident | 62.7 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148 | -179.9 | 25.1 | -33.4 | 0 | 0 | 0 | 110.5 | M50 | P48-M50 PolarHBondContact O-N 3.14Š|
| 49 | P | 75.1 | Confident | 62.8 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | trans | -59.8 | 113.7 | 176.3 | 23.2 | -30.9 | 0 | 0 | 0 | 109.2 | | |
| 50 | M | 68.8 | Low | 62.6 | Low | 175 Ų | 175 | 132.8 Ų | 132.8 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | | | trans | -59.3 | 131.3 | 173.2 | -117.6 | 128.6 | 65.2 | 0 | 0 | 108.5 | P48 G52 | P48-M50 PolarHBondContact O-N 3.14Å; M50-G52 PolarHBondContact O-N 3.47Å |
| 51 | P | 62.6 | Low | 62.7 | Low | 128 Ų | 128 | 126.1 Ų | 126.1 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | trans | -57.8 | 104.9 | 166.9 | -21.4 | 32.7 | 0 | 0 | 0 | 107.9 | | |
| 52 | G | 59.8 | Low | 62.7 | Low | 49 Ų | 49 | 129 Ų | 129 | 51% | 0.505 | 78% | 0.777 | S | S | . | * | | | trans | -57.9 | 157.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M50 R54 | M50-G52 PolarHBondContact O-N 3.47Å; G52-R54 VanDerWaalsContact C-N 3.34Å; G52-R54 PolarHBondContact O-N 2.76Å |
| 53 | P | 54.8 | Low | 62.5 | Low | 132 Ų | 132 | 133.5 Ų | 133.5 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -60.5 | 98.2 | 172.3 | -16.1 | 29 | 0 | 0 | 0 | 108.5 | L55 | P53-L55 VanDerWaalsContact C-N 3.25Å; P53-L55 PolarHBondContact O-N 3.39Å |
| 54 | R | 48.5 | Very low | 62.1 | Low | 242 Ų | 242 | 132.1 Ų | 132.1 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | | | trans | -69.6 | 92 | 168.5 | -80.6 | -171.5 | 176 | -97.2 | 2.7 | 106.9 | G52 G56 | G52-R54 VanDerWaalsContact C-N 3.34Å; G52-R54 PolarHBondContact O-N 2.76Å; R54-G56 PolarHBondContact O-N 2.86Å |
| 55 | L | 55.7 | Low | 61.5 | Low | 179 Ų | 179 | 134.9 Ų | 134.9 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | | | trans | -57.4 | 92.1 | 154.5 | -83.9 | 157.5 | 0 | 0 | 0 | 107.3 | P53 | P53-L55 VanDerWaalsContact C-N 3.25Å; P53-L55 PolarHBondContact O-N 3.39Å |
| 56 | G | 52.6 | Low | 61.4 | Low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | trans | -117.1 | 130.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | R54 G58 | R54-G56 PolarHBondContact O-N 2.86Å; G56-G58 PolarHBondContact O-N 2.9Å |
| 57 | P | 62.4 | Low | 61.5 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -80.7 | 120 | -177.3 | 28.2 | -26.7 | 0 | 0 | 0 | 111.6 | | |
| 58 | G | 51 | Low | 61.6 | Low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 80.1 | 109.7 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | G56 | G56-G58 PolarHBondContact O-N 2.9Š|
| 59 | K | 59.7 | Low | 61.8 | Low | 205 Ų | 205 | 130.5 Ų | 130.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | -146.1 | 127.4 | 135.1 | -72 | -165.9 | 166.8 | 178.2 | 0 | 110.4 | | |
| 60 | P | 52.8 | Low | 62 | Low | 140 Ų | 140 | 130 Ų | 130 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | -87.9 | 125.7 | 175.9 | 31.5 | -28.6 | 0 | 0 | 0 | 110.9 | | |
| 61 | G | 52.7 | Low | 62.6 | Low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 143.4 | 87.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 62 | L | 58 | Low | 63.5 | Low | 168 Ų | 168 | 126.4 Ų | 126.4 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | | | | 171.2 | 96.8 | 120.3 | -167.4 | 70.1 | 0 | 0 | 0 | 106 | F64 | L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 2.94Å |
| 63 | K | 60.3 | Low | 64.4 | Low | 189 Ų | 189 | 129.6 Ų | 129.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -61.7 | 89.1 | 176.8 | 36.4 | -177.7 | 168.5 | -177.5 | 0 | 110 | | |
| 64 | F | 57.9 | Low | 65.3 | Low | 146 Ų | 146 | 127.5 Ų | 127.5 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | | | trans | -88 | 97 | 158.8 | -171.4 | -100 | 0 | 0 | 0 | 106.9 | L62 G66 P67 | L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 2.94Å; F64-G66 VanDerWaalsContact CD1-O 3.32Å; F64-G66 WeakPolarHBondContact CD1-O 3.43Å; F64-G66 PolarHBondContact O-N 3.49Å; F64-P67 VanDerWaalsContact CE1-O 3.3Å; F64-P67 WeakPolarHBondContact CE1-O 3.41Å |
| 65 | N | 62.9 | Low | 66.7 | Low | 164 Ų | 164 | 118.6 Ų | 118.6 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | | | trans | -76.5 | 33.9 | 177 | -71.3 | -52.3 | 0 | 0 | 0 | 112.3 | | |
| 66 | G | 71.2 | Confident | 67.4 | Low | 28 Ų | 28 | 115.1 Ų | 115.1 | 29% | 0.289 | 72% | 0.717 | S | S | . | * | S | Bend | trans | -123.2 | 161.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F64 | F64-G66 VanDerWaalsContact CD1-O 3.32Å; F64-G66 WeakPolarHBondContact CD1-O 3.43Å; F64-G66 PolarHBondContact O-N 3.49Å |
| 67 | P | 76.6 | Confident | 67.6 | Low | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -53.6 | 138.8 | 172.4 | 23.6 | -32.3 | 0 | 0 | 0 | 109.3 | F64 | F64-P67 VanDerWaalsContact CE1-O 3.3Å; F64-P67 WeakPolarHBondContact CE1-O 3.41Å |
| 68 | P | 75.1 | Confident | 67.6 | Low | 112 Ų | 112 | 116 Ų | 116 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 141.3 | -175.6 | 22.6 | -33.9 | 0 | 0 | 0 | 110.5 | | |
| 69 | P | 78.7 | Confident | 68.1 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.3 | 174.7 | 24.3 | -33.3 | 0 | 0 | 0 | 109.1 | | |
| 70 | P | 79.7 | Confident | 67.9 | Low | 117 Ų | 117 | 112 Ų | 112 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 143.9 | 178.2 | 24.2 | -33 | 0 | 0 | 0 | 109.7 | | |
| 71 | P | 80.8 | Confident | 68.2 | Low | 114 Ų | 114 | 110.8 Ų | 110.8 | 74% | 0.74 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.2 | 176.7 | 25.1 | -33.3 | 0 | 0 | 0 | 110 | | |
| 72 | P | 81.6 | Confident | 68.6 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58 | 147.2 | 174.3 | 25.9 | -33.6 | 0 | 0 | 0 | 109.9 | | |
| 73 | P | 79 | Confident | 69.2 | Low | 115 Ų | 115 | 115.2 Ų | 115.2 | 75% | 0.747 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139.8 | 176.7 | 23.8 | -32.8 | 0 | 0 | 0 | 109.8 | | |
| 74 | P | 73.4 | Confident | 69.5 | Low | 88 Ų | 88 | 111.2 Ų | 111.2 | 57% | 0.571 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 136.6 | 176.7 | 23.7 | -32 | 0 | 0 | 0 | 108.9 | L78 | P74-L78 HydrophobicContact CB-CD1 3.88Š|
| 75 | P | 79.5 | Confident | 70.2 | Confident | 55 Ų | 55 | 110 Ų | 110 | 36% | 0.357 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 143.8 | 176.1 | -24.9 | 32.3 | 0 | 0 | 0 | 111.5 | H77 L78 | P75-H77 WeakPolarHBondContact CB-CE1 3.42Å; P75-H77 VanDerWaalsContact CB-ND1 3.26Å; P75-H77 WeakPolarHBondContact CB-ND1 3.47Å; P75-H77 WeakPolarHBondContact CB-NE2 3.33Å; P75-H77 PolarHBondContact O-N 3.3Å; P75-L78 PolarHBondContact O-N 3.01Å |
| 76 | P | 68.8 | Low | 70.2 | Confident | 107 Ų | 107 | 111.5 Ų | 111.5 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.8 | -20.5 | -177 | 22.3 | -33 | 0 | 0 | 0 | 113.3 | L78 L79 | P76-L78 VanDerWaalsContact C-N 3.35Å; P76-L78 PolarHBondContact O-N 3.42Å; P76-L79 PolarHBondContact O-N 3.16Å |
| 77 | H | 58.3 | Low | 69.7 | Low | 120 Ų | 120 | 115.1 Ų | 115.1 | 56% | 0.556 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.6 | -22.4 | 176.8 | 57.5 | -109.2 | 0 | 0 | 0 | 114.4 | P75 L79 S80 C81 | P75-H77 WeakPolarHBondContact CB-CE1 3.42Å; P75-H77 VanDerWaalsContact CB-ND1 3.26Å; P75-H77 WeakPolarHBondContact CB-ND1 3.47Å; P75-H77 WeakPolarHBondContact CB-NE2 3.33Å; P75-H77 PolarHBondContact O-N 3.3Å; H77-L79 PolarHBondContact O-N 3.12Å; H77-S80 PolarHBondContact O-N 3.12Å; H77-C81 PolarHBondContact O-N 2.81Å |
| 78 | L | 61.8 | Low | 68.7 | Low | 96 Ų | 96 | 116.2 Ų | 116.2 | 50% | 0.503 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.7 | -28.7 | 175.2 | -68.5 | 179.4 | 0 | 0 | 0 | 111.8 | P74 P75 P76 | P74-L78 HydrophobicContact CB-CD1 3.88Å; P75-L78 PolarHBondContact O-N 3.01Å; P76-L78 VanDerWaalsContact C-N 3.35Å; P76-L78 PolarHBondContact O-N 3.42Å |
| 79 | L | 61.1 | Low | 68.5 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -75.4 | -33.8 | 176.3 | -57 | 177 | 0 | 0 | 0 | 111.5 | P76 H77 C81 W82 L83 | P76-L79 PolarHBondContact O-N 3.16Å; H77-L79 PolarHBondContact O-N 3.12Å; L79-C81 VanDerWaalsContact C-N 3.33Å; L79-C81 PolarHBondContact O-N 2.69Å; L79-W82 PolarHBondContact O-N 3.18Å; L79-L83 PolarHBondContact O-N 3.36Å |
| 80 | S | 56.5 | Low | 68.1 | Low | 87 Ų | 87 | 113.7 Ų | 113.7 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.8 | -25.7 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | H77 W82 | H77-S80 PolarHBondContact O-N 3.12Å; S80-W82 VanDerWaalsContact C-N 3.33Å |
| 81 | C | 58.8 | Low | 67.3 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -20.7 | 174 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | H77 L79 | H77-C81 PolarHBondContact O-N 2.81Å; L79-C81 VanDerWaalsContact C-N 3.33Å; L79-C81 PolarHBondContact O-N 2.69Å |
| 82 | W | 60.7 | Low | 66.6 | Low | 211 Ų | 211 | 115.6 Ų | 115.6 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -22.5 | -179.4 | -157 | 0 | 0 | 0 | 0 | 112.7 | L79 S80 P84 | L79-W82 PolarHBondContact O-N 3.18Å; S80-W82 VanDerWaalsContact C-N 3.33Å; W82-P84 WeakPolarHBondContact O-CD 3.18Å |
| 83 | L | 70.2 | Confident | 65.9 | Low | 127 Ų | 127 | 116.9 Ų | 116.9 | 67% | 0.665 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -84.3 | 117.5 | 175.2 | -66.7 | 173.8 | 0 | 0 | 0 | 109.1 | L79 | L79-L83 PolarHBondContact O-N 3.36Š|
| 84 | P | 66.7 | Low | 65.2 | Low | 105 Ų | 105 | 116 Ų | 116 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.5 | 170.6 | 24.1 | -31.1 | 0 | 0 | 0 | 108.3 | W82 F86 | W82-P84 WeakPolarHBondContact O-CD 3.18Å; P84-F86 PolarHBondContact O-N 2.96Å |
| 85 | P | 73.4 | Confident | 64.9 | Low | 122 Ų | 122 | 117.3 Ų | 117.3 | 79% | 0.792 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 123.4 | 173.5 | -23.3 | 31.2 | 0 | 0 | 0 | 108.4 | P87 | P85-P87 WeakPolarHBondContact O-CD 3.42Å; P85-P87 VanDerWaalsContact O-N 3.1Å |
| 86 | F | 62.1 | Low | 64.4 | Low | 195 Ų | 195 | 119.7 Ų | 119.7 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 122.5 | 176.4 | -145.3 | -92.2 | 0 | 0 | 0 | 106.8 | P84 S88 | P84-F86 PolarHBondContact O-N 2.96Å; F86-S88 PolarHBondContact O-N 3.24Å |
| 87 | P | 61.4 | Low | 64.4 | Low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | | | trans | -62 | 108.4 | -178 | 23.5 | -31.2 | 0 | 0 | 0 | 107.6 | P85 G89 | P85-P87 WeakPolarHBondContact O-CD 3.42Å; P85-P87 VanDerWaalsContact O-N 3.1Å; P87-G89 PolarHBondContact O-N 3.19Å |
| 88 | S | 55.2 | Low | 65.2 | Low | 134 Ų | 134 | 120 Ų | 120 | 94% | 0.937 | 71% | 0.708 | S | S | * | * | | | trans | -75.6 | 40.1 | -179.1 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | F86 | F86-S88 PolarHBondContact O-N 3.24Š|
| 89 | G | 70.1 | Confident | 65.1 | Low | 43 Ų | 43 | 122.3 Ų | 122.3 | 44% | 0.443 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -134.6 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P87 | P87-G89 PolarHBondContact O-N 3.19Š|
| 90 | P | 70.7 | Confident | 64.9 | Low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -50.8 | 141.3 | 167.4 | 23.3 | -31.4 | 0 | 0 | 0 | 108.4 | I92 | P90-I92 PolarHBondContact O-N 3.42Š|
| 91 | P | 63.4 | Low | 65.1 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | | | trans | -52.3 | 114.2 | -179 | 21.7 | -32.4 | 0 | 0 | 0 | 108.5 | I93 | P91-I93 PolarHBondContact O-N 3.42Š|
| 92 | I | 66.2 | Low | 65 | Low | 161 Ų | 161 | 126.6 Ų | 126.6 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | | | trans | -72.6 | 88.1 | 172.5 | -64.7 | 171.4 | 0 | 0 | 0 | 104.7 | P90 P94 | P90-I92 PolarHBondContact O-N 3.42Å; I92-P94 WeakPolarHBondContact O-CD 3.48Å |
| 93 | I | 67.1 | Low | 64.9 | Low | 140 Ų | 140 | 118.8 Ų | 118.8 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | trans | -67.1 | 115.7 | 171.6 | -54.8 | 172.1 | 0 | 0 | 0 | 105 | P91 | P91-I93 PolarHBondContact O-N 3.42Š|
| 94 | P | 63.3 | Low | 64.4 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.1 | 175 | 25 | -33 | 0 | 0 | 0 | 108.5 | I92 | I92-P94 WeakPolarHBondContact O-CD 3.48Š|
| 95 | P | 67.8 | Low | 64.4 | Low | 116 Ų | 116 | 120.5 Ų | 120.5 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 135.8 | 178 | 24 | -33.4 | 0 | 0 | 0 | 109 | | |
| 96 | P | 69.1 | Low | 64.4 | Low | 105 Ų | 105 | 119.8 Ų | 119.8 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.7 | -178.9 | 21.9 | -31.3 | 0 | 0 | 0 | 109.4 | | |
| 97 | P | 69.2 | Low | 65.1 | Low | 104 Ų | 104 | 113.7 Ų | 113.7 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 151.2 | 172.2 | -16.5 | 26.6 | 0 | 0 | 0 | 109.7 | I99 | P97-I99 WeakPolarHBondContact O-CG1 3.24Å; P97-I99 PolarHBondContact O-N 3.2Å |
| 98 | P | 74.3 | Confident | 66.1 | Low | 129 Ų | 129 | 113.7 Ų | 113.7 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | | | trans | -55.4 | 106 | 169.1 | -16.8 | 28.9 | 0 | 0 | 0 | 108.1 | C100 | P98-C100 PolarHBondContact O-N 3.24Å; P98-C100 VanDerWaalsContact O-N 3.14Å |
| 99 | I | 60.8 | Low | 67.5 | Low | 145 Ų | 145 | 109.6 Ų | 109.6 | 74% | 0.744 | 67% | 0.666 | S | S | * | * | | | trans | -72.6 | 109.2 | -177.6 | -45.9 | 176 | 0 | 0 | 0 | 105.5 | P97 P101 | P97-I99 WeakPolarHBondContact O-CG1 3.24Å; P97-I99 PolarHBondContact O-N 3.2Å; I99-P101 VanDerWaalsContact O-CD 3.28Å; I99-P101 WeakPolarHBondContact O-CD 3.26Å |
| 100 | C | 55.1 | Low | 68.3 | Low | 111 Ų | 111 | 112.1 Ų | 112.1 | 75% | 0.75 | 67% | 0.669 | S | S | * | * | | | trans | -67.8 | 115.7 | 166.6 | -71.4 | 0 | 0 | 0 | 0 | 107.5 | P98 D102 | P98-C100 PolarHBondContact O-N 3.24Å; P98-C100 VanDerWaalsContact O-N 3.14Å; C100-D102 PolarHBondContact O-N 2.95Å; C100-D102 VanDerWaalsContact O-N 3.1Å |
| 101 | P | 62.7 | Low | 69.1 | Low | 120 Ų | 120 | 107.8 Ų | 107.8 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -85.3 | 82.1 | 179.1 | 34.1 | -29 | 0 | 0 | 0 | 108.5 | I99 | I99-P101 VanDerWaalsContact O-CD 3.28Å; I99-P101 WeakPolarHBondContact O-CD 3.26Å |
| 102 | D | 55.5 | Low | 70.2 | Confident | 164 Ų | 164 | 106 Ų | 106 | 88% | 0.877 | 64% | 0.636 | S | S | * | * | | | trans | -147.9 | 24.3 | 171.7 | -119.8 | -40.8 | 0 | 0 | 0 | 114.6 | C100 | C100-D102 PolarHBondContact O-N 2.95Å; C100-D102 VanDerWaalsContact O-N 3.1Å |
| 103 | S | 58.6 | Low | 71.4 | Confident | 47 Ų | 47 | 104 Ų | 104 | 33% | 0.329 | 63% | 0.625 | S | S | . | * | | | trans | -148.8 | 91 | 179.9 | 165.4 | 0 | 0 | 0 | 0 | 108.4 | D105 D106 | S103-D105 PolarHBondContact O-N 3.25Å; S103-D105 VanDerWaalsContact O-N 3.17Å; S103-D106 WeakPolarHBondContact CB-OD2 3.28Å; S103-D106 PolarHBondContact O-N 3.4Å; S103-D106 VanDerWaalsContact O-N 3.09Å; S103-D106 PolarHBondContact OG-N 2.83Å; S103-D106 PolarHBondContact OG-OD2 3.14Å |
| 104 | L | 60.3 | Low | 72.4 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.9 | -30.6 | 170.8 | -179 | 66.2 | 0 | 0 | 0 | 111.1 | A107 D108 | L104-A107 PolarHBondContact O-N 2.86Å; L104-D108 PolarHBondContact O-N 3.17Å |
| 105 | D | 66.9 | Low | 73.3 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.1 | -36.8 | 177.4 | -158.4 | -100 | 0 | 0 | 0 | 112.8 | S103 A107 D108 A109 | S103-D105 PolarHBondContact O-N 3.25Å; S103-D105 VanDerWaalsContact O-N 3.17Å; D105-A107 VanDerWaalsContact C-N 3.28Å; D105-A107 PolarHBondContact O-N 2.85Å; D105-D108 PolarHBondContact O-N 3.48Å; D105-A109 WeakPolarHBondContact O-CB 3.45Å; D105-A109 PolarHBondContact O-N 3.26Å |
| 106 | D | 72.2 | Confident | 74.2 | Confident | 108 Ų | 108 | 101 Ų | 101 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68 | -27.9 | 178.6 | -74.3 | -47.1 | 0 | 0 | 0 | 112.5 | S103 L110 | S103-D106 WeakPolarHBondContact CB-OD2 3.28Å; S103-D106 PolarHBondContact O-N 3.4Å; S103-D106 VanDerWaalsContact O-N 3.09Å; S103-D106 PolarHBondContact OG-N 2.83Å; S103-D106 PolarHBondContact OG-OD2 3.14Å; D106-L110 WeakPolarHBondContact O-CB 3.34Å; D106-L110 PolarHBondContact O-N 2.87Å |
| 107 | A | 78.4 | Confident | 75 | Confident | 66 Ų | 66 | 105.8 Ų | 105.8 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.9 | -39.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L104 D105 G111 | L104-A107 PolarHBondContact O-N 2.86Å; D105-A107 VanDerWaalsContact C-N 3.28Å; D105-A107 PolarHBondContact O-N 2.85Å; A107-G111 PolarHBondContact O-N 3.5Å |
| 108 | D | 81.2 | Confident | 75.6 | Confident | 105 Ų | 105 | 107 Ų | 107 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.1 | -37.2 | 174.8 | -78.8 | -36.3 | 0 | 0 | 0 | 112.1 | L104 D105 G111 S112 | L104-D108 PolarHBondContact O-N 3.17Å; D105-D108 PolarHBondContact O-N 3.48Å; D108-G111 PolarHBondContact O-N 2.94Å; D108-S112 WeakPolarHBondContact O-CB 3.43Å; D108-S112 PolarHBondContact O-N 2.9Å; D108-S112 PolarHBondContact O-OG 3Å |
| 109 | A | 84.9 | Confident | 75.9 | Confident | 47 Ų | 47 | 105.7 Ų | 105.7 | 39% | 0.388 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D105 S112 M113 | D105-A109 WeakPolarHBondContact O-CB 3.45Å; D105-A109 PolarHBondContact O-N 3.26Å; A109-S112 PolarHBondContact O-N 3.39Å; A109-M113 WeakPolarHBondContact O-CB 3.5Å; A109-M113 PolarHBondContact O-N 2.97Å |
| 110 | L | 86.9 | Confident | 76.5 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.4 | -43.5 | 174.8 | -178.1 | 61.7 | 0 | 0 | 0 | 111.6 | D106 M113 L114 | D106-L110 WeakPolarHBondContact O-CB 3.34Å; D106-L110 PolarHBondContact O-N 2.87Å; L110-M113 HydrophobicContact CD1-CE 4.18Å; L110-M113 PolarHBondContact O-N 3.07Å; L110-L114 HydrophobicContact CD1-CD1 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.5Å; L110-L114 PolarHBondContact O-N 2.8Å |
| 111 | G | 88.1 | Confident | 77.6 | Confident | 25 Ų | 25 | 100.2 Ų | 100.2 | 26% | 0.258 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.2 | -52.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A107 D108 M113 L114 I115 | A107-G111 PolarHBondContact O-N 3.5Å; D108-G111 PolarHBondContact O-N 2.94Å; G111-M113 VanDerWaalsContact C-N 3.28Å; G111-M113 PolarHBondContact O-N 3.01Å; G111-L114 WeakPolarHBondContact O-CB 3.28Å; G111-L114 PolarHBondContact O-N 2.68Å; G111-I115 WeakPolarHBondContact O-CD1 3.13Å; G111-I115 PolarHBondContact O-N 3.48Å |
| 112 | S | 86.9 | Confident | 77.8 | Confident | 72 Ų | 72 | 99.8 Ų | 99.8 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.2 | -39.9 | 179.7 | -63 | 0 | 0 | 0 | 0 | 112.6 | D108 A109 S116 | D108-S112 WeakPolarHBondContact O-CB 3.43Å; D108-S112 PolarHBondContact O-N 2.9Å; D108-S112 PolarHBondContact O-OG 3Å; A109-S112 PolarHBondContact O-N 3.39Å; S112-S116 VanDerWaalsContact O-CB 3.28Å; S112-S116 WeakPolarHBondContact O-CB 3.41Å; S112-S116 PolarHBondContact O-N 2.79Å; S112-S116 PolarHBondContact O-OG 2.96Å |
| 113 | M | 89.9 | Confident | 78 | Confident | 120 Ų | 120 | 99.1 Ų | 99.1 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 174.7 | -171.5 | -161.4 | -37.9 | 0 | 0 | 112.2 | A109 L110 G111 S116 W117 | A109-M113 WeakPolarHBondContact O-CB 3.5Å; A109-M113 PolarHBondContact O-N 2.97Å; L110-M113 HydrophobicContact CD1-CE 4.18Å; L110-M113 PolarHBondContact O-N 3.07Å; G111-M113 VanDerWaalsContact C-N 3.28Å; G111-M113 PolarHBondContact O-N 3.01Å; M113-S116 WeakPolarHBondContact O-CB 2.92Å; M113-S116 PolarHBondContact O-N 3.43Å; M113-W117 PolarHBondContact O-N 2.72Å |
| 114 | L | 88.4 | Confident | 78.1 | Confident | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.9 | -45.2 | 177.8 | -108.9 | 72.3 | 0 | 0 | 0 | 112 | L110 G111 S116 W117 Y118 | L110-L114 HydrophobicContact CD1-CD1 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.5Å; L110-L114 PolarHBondContact O-N 2.8Å; G111-L114 WeakPolarHBondContact O-CB 3.28Å; G111-L114 PolarHBondContact O-N 2.68Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 2.8Å; L114-W117 PolarHBondContact O-N 3.22Å; L114-Y118 VanDerWaalsContact O-CB 3.28Å; L114-Y118 WeakPolarHBondContact O-CB 3.28Å; L114-Y118 PolarHBondContact O-N 3.41Å |
| 115 | I | 83.3 | Confident | 78.2 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 54% | 0.544 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.2 | -79.4 | 91.9 | 0 | 0 | 0 | 110.2 | G111 W117 Y118 M119 | G111-I115 WeakPolarHBondContact O-CD1 3.13Å; G111-I115 PolarHBondContact O-N 3.48Å; I115-W117 PolarHBondContact O-N 3.1Å; I115-Y118 PolarHBondContact O-N 3.33Å; I115-M119 HydrophobicContact CG2-CG 4.47Å; I115-M119 WeakPolarHBondContact O-CG 3.18Å; I115-M119 PolarHBondContact O-N 2.66Å |
| 116 | S | 85.9 | Confident | 77.9 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.4 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | S112 M113 L114 S120 | S112-S116 VanDerWaalsContact O-CB 3.28Å; S112-S116 WeakPolarHBondContact O-CB 3.41Å; S112-S116 PolarHBondContact O-N 2.79Å; S112-S116 PolarHBondContact O-OG 2.96Å; M113-S116 WeakPolarHBondContact O-CB 2.92Å; M113-S116 PolarHBondContact O-N 3.43Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 2.8Å; S116-S120 PolarHBondContact O-N 3.35Å |
| 117 | W | 85.4 | Confident | 77.3 | Confident | 206 Ų | 206 | 102.1 Ų | 102.1 | 78% | 0.78 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -41.5 | 177.4 | -178.2 | 60 | 0 | 0 | 0 | 112.3 | M113 L114 I115 S120 G121 | M113-W117 PolarHBondContact O-N 2.72Å; L114-W117 PolarHBondContact O-N 3.22Å; I115-W117 PolarHBondContact O-N 3.1Å; W117-S120 WeakPolarHBondContact O-CB 3.43Å; W117-S120 PolarHBondContact O-N 3.17Å; W117-G121 PolarHBondContact O-N 3.18Å |
| 118 | Y | 81.9 | Confident | 76.5 | Confident | 130 Ų | 130 | 106.2 Ų | 106.2 | 51% | 0.51 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62 | -45.5 | 178.7 | 176.3 | -108.1 | 0 | 0 | 0 | 112.4 | L114 I115 S120 G121 Y122 | L114-Y118 VanDerWaalsContact O-CB 3.28Å; L114-Y118 WeakPolarHBondContact O-CB 3.28Å; L114-Y118 PolarHBondContact O-N 3.41Å; I115-Y118 PolarHBondContact O-N 3.33Å; Y118-S120 VanDerWaalsContact C-N 3.3Å; Y118-S120 PolarHBondContact O-N 3.09Å; Y118-G121 PolarHBondContact O-N 3.27Å; Y118-Y122 HydrophobicContact CE1-CD2 4.32Å; Y118-Y122 AromaticContact CE1-CE2 3.8Å; Y118-Y122 HydrophobicContact CE1-CE2 3.8Å; Y118-Y122 HydrophobicContact CE2-CD2 4.48Å; Y118-Y122 AromaticContact CE2-CE2 3.83Å; Y118-Y122 HydrophobicContact CE2-CE2 3.83Å; Y118-Y122 AromaticContact CZ-CE2 3.37Å; Y118-Y122 VanDerWaalsContact OH-CE2 3.26Å; Y118-Y122 WeakPolarHBondContact OH-CE2 3.33Å; Y118-Y122 PolarHBondContact OH-OH 3.03Å |
| 119 | M | 80.4 | Confident | 75.4 | Confident | 101 Ų | 101 | 108.6 Ų | 108.6 | 50% | 0.498 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66 | -32.6 | 176.5 | -70.8 | -68 | 103 | 0 | 0 | 112.4 | I115 G121 Y122 | I115-M119 HydrophobicContact CG2-CG 4.47Å; I115-M119 WeakPolarHBondContact O-CG 3.18Å; I115-M119 PolarHBondContact O-N 2.66Å; M119-G121 PolarHBondContact O-N 2.93Å; M119-Y122 HydrophobicContact CE-CD2 4.32Å |
| 120 | S | 74.4 | Confident | 74.1 | Confident | 96 Ų | 96 | 114.9 Ų | 114.9 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65 | -19.4 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 113.6 | S116 W117 Y118 | S116-S120 PolarHBondContact O-N 3.35Å; W117-S120 WeakPolarHBondContact O-CB 3.43Å; W117-S120 PolarHBondContact O-N 3.17Å; Y118-S120 VanDerWaalsContact C-N 3.3Å; Y118-S120 PolarHBondContact O-N 3.09Å |
| 121 | G | 76.8 | Confident | 72.8 | Confident | 45 Ų | 45 | 117.4 Ų | 117.4 | 46% | 0.464 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -94.8 | -14.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | W117 Y118 M119 H123 | W117-G121 PolarHBondContact O-N 3.18Å; Y118-G121 PolarHBondContact O-N 3.27Å; M119-G121 PolarHBondContact O-N 2.93Å; G121-H123 PolarHBondContact O-N 2.89Å |
| 122 | Y | 66.6 | Low | 71 | Confident | 111 Ų | 111 | 123.5 Ų | 123.5 | 44% | 0.435 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -19.7 | -171.4 | -114.4 | -100.6 | 0 | 0 | 0 | 114.5 | Y118 M119 Y126 | Y118-Y122 HydrophobicContact CE1-CD2 4.32Å; Y118-Y122 AromaticContact CE1-CE2 3.8Å; Y118-Y122 HydrophobicContact CE1-CE2 3.8Å; Y118-Y122 HydrophobicContact CE2-CD2 4.48Å; Y118-Y122 AromaticContact CE2-CE2 3.83Å; Y118-Y122 HydrophobicContact CE2-CE2 3.83Å; Y118-Y122 AromaticContact CZ-CE2 3.37Å; Y118-Y122 VanDerWaalsContact OH-CE2 3.26Å; Y118-Y122 WeakPolarHBondContact OH-CE2 3.33Å; Y118-Y122 PolarHBondContact OH-OH 3.03Å; M119-Y122 HydrophobicContact CE-CD2 4.32Å; Y122-Y126 HydrophobicContact CD1-CE2 4.18Å; Y122-Y126 VanDerWaalsContact O-CD2 3.24Å; Y122-Y126 WeakPolarHBondContact O-CD2 3.04Å; Y122-Y126 WeakPolarHBondContact O-CE2 3.22Å |
| 123 | H | 61.6 | Low | 70.2 | Confident | 150 Ų | 150 | 126.1 Ų | 126.1 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -19.2 | -173.6 | -80.5 | -73 | 0 | 0 | 0 | 114.8 | G121 | G121-H123 PolarHBondContact O-N 2.89Š|
| 124 | T | 60.5 | Low | 69.1 | Low | 107 Ų | 107 | 126.4 Ų | 126.4 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -19.2 | -175.3 | -49.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 125 | G | 60.6 | Low | 68.1 | Low | 35 Ų | 35 | 127.7 Ų | 127.7 | 36% | 0.361 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -28.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y127 M128 E129 | G125-Y127 PolarHBondContact O-N 2.85Å; G125-Y127 VanDerWaalsContact O-N 3.12Å; G125-M128 PolarHBondContact O-N 3.43Å; G125-E129 PolarHBondContact O-N 3.26Å; G125-E129 VanDerWaalsContact O-N 3.12Å |
| 126 | Y | 60.6 | Low | 67.2 | Low | 147 Ų | 147 | 128.9 Ų | 128.9 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -58.7 | -31.3 | -172.8 | -86 | -77.6 | 0 | 0 | 0 | 114.2 | Y122 M130 | Y122-Y126 HydrophobicContact CD1-CE2 4.18Å; Y122-Y126 VanDerWaalsContact O-CD2 3.24Å; Y122-Y126 WeakPolarHBondContact O-CD2 3.04Å; Y122-Y126 WeakPolarHBondContact O-CE2 3.22Å; Y126-M130 WeakPolarHBondContact O-CB 3.42Å; Y126-M130 PolarHBondContact O-N 3.02Å |
| 127 | Y | 60.2 | Low | 66 | Low | 198 Ų | 198 | 132.1 Ų | 132.1 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -82.7 | -18.3 | 179.7 | -66 | -76.5 | 0 | 0 | 0 | 114 | G125 | G125-Y127 PolarHBondContact O-N 2.85Å; G125-Y127 VanDerWaalsContact O-N 3.12Å |
| 128 | M | 62.8 | Low | 64.7 | Low | 152 Ų | 152 | 127.2 Ų | 127.2 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.6 | -32.9 | 174.9 | -61.2 | -170 | -171.7 | 0 | 0 | 111.4 | G125 | G125-M128 PolarHBondContact O-N 3.43Å |
| 129 | E | 56.8 | Low | 63.5 | Low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -82 | -31 | -179 | -167.6 | 174.9 | 169.6 | 0 | 0 | 113.7 | G125 L131 A132 | G125-E129 PolarHBondContact O-N 3.26Å; G125-E129 VanDerWaalsContact O-N 3.12Å; E129-L131 PolarHBondContact O-N 3.08Å; E129-L131 VanDerWaalsContact O-N 3.16Å; E129-A132 PolarHBondContact O-N 3.36Å |
| 130 | M | 58.5 | Low | 62.2 | Low | 178 Ų | 178 | 129 Ų | 129 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -6.3 | 175.5 | -164.1 | -174.5 | -108.9 | 0 | 0 | 113.4 | Y126 | Y126-M130 WeakPolarHBondContact O-CB 3.42Å; Y126-M130 PolarHBondContact O-N 3.02Å |
| 131 | L | 58.3 | Low | 61.2 | Low | 151 Ų | 151 | 131.8 Ų | 131.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 11.2 | -178.6 | -130.2 | 160.5 | 0 | 0 | 0 | 113.2 | E129 | E129-L131 PolarHBondContact O-N 3.08Å; E129-L131 VanDerWaalsContact O-N 3.16Å |
| 132 | A | 50.6 | Low | 59.7 | Low | 152 Ų | 152 | 139.6 Ų | 139.6 | 100% | 1.256 | 72% | 0.718 | S | S | * | * | | | trans | -88.6 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E129 | E129-A132 PolarHBondContact O-N 3.36Š|