| 1 | M | 44.8 | Very low | 42.2 | Very low | 244 Ų | 244 | 159 Ų | 159 | 100% | 1.202 | 80% | 0.804 | S | S | * | * | | | | 0 | 121.1 | 0 | -151.6 | 170.5 | -159.5 | 0 | 0 | 106.6 | | |
| 2 | I | 39.5 | Very low | 42.1 | Very low | 136 Ų | 136 | 156.3 Ų | 156.3 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | | | trans | -81 | 122 | -166.6 | -62.3 | 171.6 | 0 | 0 | 0 | 109.2 | Y4 | I2-Y4 HydrophobicContact CB-CE2 4.44Å; I2-Y4 HydrophobicContact CG2-CE1 4.28Å; I2-Y4 HydrophobicContact CG2-CE2 4.27Å |
| 3 | N | 37 | Very low | 42.3 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -81.6 | 114 | 176.7 | -114 | -18.8 | 0 | 0 | 0 | 109.1 | T5 | N3-T5 PolarHBondContact O-N 2.95Š|
| 4 | Y | 46.7 | Very low | 42 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -92.4 | 85.7 | 171.3 | -60.2 | -85.5 | 0 | 0 | 0 | 108.8 | I2 A6 | I2-Y4 HydrophobicContact CB-CE2 4.44Å; I2-Y4 HydrophobicContact CG2-CE1 4.28Å; I2-Y4 HydrophobicContact CG2-CE2 4.27Å; Y4-A6 PolarHBondContact O-N 3.41Å |
| 5 | T | 43.3 | Very low | 42.2 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | -81.5 | 105.6 | 164 | -34.8 | 0 | 0 | 0 | 0 | 106.7 | N3 V7 | N3-T5 PolarHBondContact O-N 2.95Å; T5-V7 VanDerWaalsContact C-N 3.35Å; T5-V7 HydrophobicContact CG2-CG2 4.38Å; T5-V7 PolarHBondContact O-N 3.18Å |
| 6 | A | 45.3 | Very low | 42.5 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | -64.9 | 93.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y4 | Y4-A6 PolarHBondContact O-N 3.41Š|
| 7 | V | 38.6 | Very low | 42.5 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -107.8 | 87.5 | 169.8 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | T5 | T5-V7 VanDerWaalsContact C-N 3.35Å; T5-V7 HydrophobicContact CG2-CG2 4.38Å; T5-V7 PolarHBondContact O-N 3.18Å |
| 8 | Y | 47.4 | Very low | 42.6 | Very low | 225 Ų | 225 | 152.1 Ų | 152.1 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -128.2 | 80.4 | 160.9 | -82.3 | -74 | 0 | 0 | 0 | 109.3 | | |
| 9 | T | 35 | Very low | 42.7 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | | | trans | 23.6 | 116.2 | 133.3 | 52.1 | 0 | 0 | 0 | 0 | 118.5 | K11 | T9-K11 PolarHBondContact O-N 3.38Š|
| 10 | Q | 43.3 | Very low | 42.6 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | trans | -36.6 | 105.4 | 146.9 | -77.9 | 166.7 | -45.9 | 0 | 0 | 110.9 | | |
| 11 | K | 43.7 | Very low | 42.7 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -105 | 84.5 | 147.6 | -85.2 | -171.8 | 176.6 | -179.2 | 0 | 106.9 | T9 V13 | T9-K11 PolarHBondContact O-N 3.38Å; K11-V13 VanDerWaalsContact C-N 3.32Å; K11-V13 PolarHBondContact O-N 3.34Å; K11-V13 VanDerWaalsContact O-N 3.09Å |
| 12 | D | 40 | Very low | 42.7 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | | | trans | -57 | 101.4 | 147.2 | -73.9 | -49.6 | 0 | 0 | 0 | 107.8 | | |
| 13 | V | 45.6 | Very low | 42.9 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | | | trans | -135.4 | 82.9 | 156.6 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | K11 | K11-V13 VanDerWaalsContact C-N 3.32Å; K11-V13 PolarHBondContact O-N 3.34Å; K11-V13 VanDerWaalsContact O-N 3.09Å |
| 14 | H | 37.5 | Very low | 43.2 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | | | trans | 15.6 | 116.5 | 139.2 | -74.5 | -112.5 | 0 | 0 | 0 | 118 | | |
| 15 | H | 44.8 | Very low | 43 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | | | trans | 69.7 | 127.4 | 153.3 | -67 | 83.6 | 0 | 0 | 0 | 117.4 | | |
| 16 | P | 47.9 | Very low | 43.3 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | | -153.9 | 98.6 | 61.8 | 36.8 | -13.3 | 0 | 0 | 0 | 114.4 | | |
| 17 | H | 42.4 | Very low | 43.2 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -101.6 | 85.3 | 159 | -109.8 | -79.4 | 0 | 0 | 0 | 108.4 | I19 | H17-I19 VanDerWaalsContact C-N 3.3Å; H17-I19 PolarHBondContact O-N 3.22Å |
| 18 | F | 44.3 | Very low | 43.5 | Very low | 158 Ų | 158 | 141 Ų | 141 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | | | trans | 25.4 | 61.8 | 146.2 | -71.8 | -92.2 | 0 | 0 | 0 | 115.8 | N20 | F18-N20 PolarHBondContact O-N 3.47Š|
| 19 | I | 43.3 | Very low | 43.4 | Very low | 129 Ų | 129 | 135 Ų | 135 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | | | trans | -69.1 | 107.9 | 162.6 | -66.6 | 173.2 | 0 | 0 | 0 | 105.7 | H17 F21 | H17-I19 VanDerWaalsContact C-N 3.3Å; H17-I19 PolarHBondContact O-N 3.22Å; I19-F21 PolarHBondContact O-N 3.38Å |
| 20 | N | 41.4 | Very low | 44 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 49% | 0.492 | 71% | 0.713 | S | S | . | * | S | Bend | trans | 69.3 | 29 | 152 | -71 | -8.8 | 0 | 0 | 0 | 120.3 | F18 S23 | F18-N20 PolarHBondContact O-N 3.47Å; N20-S23 WeakPolarHBondContact OD1-CB 3.35Å; N20-S23 PolarHBondContact OD1-OG 3.3Å |
| 21 | F | 45.6 | Very low | 44 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 77% | 0.768 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -70.4 | -39.1 | 157.4 | -98.4 | -79 | 0 | 0 | 0 | 111.6 | I19 | I19-F21 PolarHBondContact O-N 3.38Š|
| 22 | F | 43.7 | Very low | 43.8 | Very low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -80.4 | -25.7 | 179.5 | -70 | -72 | 0 | 0 | 0 | 114.4 | K24 L25 | F22-K24 VanDerWaalsContact C-N 3.27Å; F22-K24 PolarHBondContact O-N 3.32Å; F22-L25 PolarHBondContact O-N 3.49Å |
| 23 | S | 44.2 | Very low | 44 | Very low | 59 Ų | 59 | 137.8 Ų | 137.8 | 41% | 0.413 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -74.7 | -14.3 | -179.5 | -39.2 | 0 | 0 | 0 | 0 | 113.7 | N20 L25 S26 | N20-S23 WeakPolarHBondContact OD1-CB 3.35Å; N20-S23 PolarHBondContact OD1-OG 3.3Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-S26 PolarHBondContact O-OG 2.71Å |
| 24 | K | 42.4 | Very low | 43.9 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -82.6 | -9.9 | 171.1 | -82.3 | -175.1 | 177 | -179.6 | 0 | 113.8 | F22 S26 | F22-K24 VanDerWaalsContact C-N 3.27Å; F22-K24 PolarHBondContact O-N 3.32Å; K24-S26 VanDerWaalsContact C-N 3.33Å |
| 25 | L | 43.8 | Very low | 44.4 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -85.4 | -6.8 | 169.1 | -85.5 | 158.4 | 0 | 0 | 0 | 112.6 | F22 S23 S27 | F22-L25 PolarHBondContact O-N 3.49Å; S23-L25 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.34Å |
| 26 | S | 48.3 | Very low | 44.6 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -85.9 | 17.1 | 176.8 | 78.1 | 0 | 0 | 0 | 0 | 114.2 | S23 K24 | S23-S26 PolarHBondContact O-OG 2.71Å; K24-S26 VanDerWaalsContact C-N 3.33Å |
| 27 | S | 44.8 | Very low | 44.5 | Very low | 83 Ų | 83 | 134 Ų | 134 | 58% | 0.58 | 70% | 0.698 | S | S | * | * | | | trans | -138 | 72.8 | 175.1 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | L25 | L25-S27 PolarHBondContact O-N 3.34Š|
| 28 | N | 43.8 | Very low | 44.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | S | Bend | | -152.2 | 131.5 | 128.9 | -100.1 | -19.2 | 0 | 0 | 0 | 110.3 | | |
| 29 | P | 44.9 | Very low | 44.8 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | | | trans | -67.6 | 145.1 | -159.5 | 27.6 | -34 | 0 | 0 | 0 | 110.9 | T31 | P29-T31 PolarHBondContact O-N 3.41Š|
| 30 | M | 47.3 | Very low | 44.8 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 97% | 0.97 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -55.4 | 65.8 | 163.3 | -159.9 | 167.5 | 169.5 | 0 | 0 | 110.7 | | |
| 31 | T | 44.7 | Very low | 45.2 | Very low | 102 Ų | 102 | 134 Ų | 134 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | | | trans | -154 | 74.7 | 175.2 | 38.5 | 0 | 0 | 0 | 0 | 108.4 | P29 | P29-T31 PolarHBondContact O-N 3.41Š|
| 32 | N | 39.6 | Very low | 45.2 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 90% | 0.904 | 70% | 0.704 | S | S | * | * | | | trans | -140.6 | 116.3 | 134.6 | -142.8 | -8.2 | 0 | 0 | 0 | 109.2 | | |
| 33 | K | 43.1 | Very low | 45.4 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | trans | -75.4 | 160 | -168.7 | -66.9 | 175.6 | 174.2 | 179.2 | 0 | 110.1 | | |
| 34 | S | 44.9 | Very low | 45.5 | Very low | 78 Ų | 78 | 141 Ų | 141 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | | | trans | 82 | 68.2 | 157.7 | -57.5 | 0 | 0 | 0 | 0 | 118.3 | T36 | S34-T36 PolarHBondContact O-N 3.07Š|
| 35 | K | 48 | Very low | 45.5 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -10.1 | 141.7 | -96.2 | -175.4 | 175.6 | -178.1 | 0 | 113.4 | | |
| 36 | T | 49.1 | Very low | 45.6 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 60% | 0.595 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -88.8 | -14.8 | -176.5 | -5.9 | 0 | 0 | 0 | 0 | 114.6 | S34 | S34-T36 PolarHBondContact O-N 3.07Å |
| 37 | S | 45 | Very low | 45.5 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 48% | 0.476 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -84.5 | -33.6 | -177.2 | -176.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 38 | E | 46.2 | Very low | 45.6 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -79.4 | -30.5 | -174.3 | -75.4 | -178.4 | 166 | 0 | 0 | 112.6 | L41 | E38-L41 PolarHBondContact O-N 3.42Å |
| 39 | M | 46.1 | Very low | 45.4 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -76.6 | -26 | 179.7 | -153.9 | 169.1 | 55.1 | 0 | 0 | 112.6 | | |
| 40 | D | 44.4 | Very low | 45.3 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -80 | -20.7 | 174 | -81.6 | -20.2 | 0 | 0 | 0 | 113.1 | | |
| 41 | L | 48.7 | Very low | 45.3 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -77.5 | -23.7 | 174.3 | -85.7 | 160 | 0 | 0 | 0 | 113.3 | E38 K43 Y44 | E38-L41 PolarHBondContact O-N 3.42Å; L41-K43 PolarHBondContact O-N 3.14Å; L41-K43 VanDerWaalsContact O-N 3.15Å; L41-Y44 PolarHBondContact O-N 3.34Å |
| 42 | L | 47.1 | Very low | 44.9 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -69.1 | -9.5 | 178.3 | -75.8 | 168.2 | 0 | 0 | 0 | 113.4 | | |
| 43 | K | 48.1 | Very low | 45.2 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -89.7 | 5.9 | -179.3 | -137.7 | 175.1 | -176.1 | 179.7 | 0 | 114.9 | L41 | L41-K43 PolarHBondContact O-N 3.14Å; L41-K43 VanDerWaalsContact O-N 3.15Å |
| 44 | Y | 45.1 | Very low | 45.2 | Very low | 215 Ų | 215 | 142.3 Ų | 142.3 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -134.3 | 33 | -178.1 | -124.3 | -85.8 | 0 | 0 | 0 | 116 | L41 | L41-Y44 PolarHBondContact O-N 3.34Š|
| 45 | N | 42.2 | Very low | 45.2 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | -126.8 | 58.6 | 166.3 | -106.5 | -1.8 | 0 | 0 | 0 | 111.7 | S47 | N45-S47 PolarHBondContact O-N 3.13Å; N45-S47 PolarHBondContact OD1-OG 3.41Å |
| 46 | E | 47 | Very low | 44.9 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 72% | 0.722 | S | S | * | * | | | trans | -84.6 | 27.6 | 156.8 | -76.1 | -172.3 | 160.3 | 0 | 0 | 111.6 | N48 | E46-N48 PolarHBondContact O-N 3.35Å; E46-N48 VanDerWaalsContact O-N 3.16Å |
| 47 | S | 45 | Very low | 44.9 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | | | trans | -87.3 | 84.9 | 175 | 53 | 0 | 0 | 0 | 0 | 110.7 | N45 H49 | N45-S47 PolarHBondContact O-N 3.13Å; N45-S47 PolarHBondContact OD1-OG 3.41Å; S47-H49 PolarHBondContact O-N 3.49Å |
| 48 | N | 46.6 | Very low | 45 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | | | trans | 22.1 | 83.4 | 142.8 | -74.7 | -31.4 | 0 | 0 | 0 | 117.1 | E46 | E46-N48 PolarHBondContact O-N 3.35Å; E46-N48 VanDerWaalsContact O-N 3.16Å |
| 49 | H | 40 | Very low | 45.2 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | -126.6 | 93 | 146.3 | -81.4 | -69.4 | 0 | 0 | 0 | 109.2 | S47 S51 | S47-H49 PolarHBondContact O-N 3.49Å; H49-S51 PolarHBondContact O-N 3.08Å |
| 50 | N | 42.7 | Very low | 45.3 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | | | trans | -55.5 | 69.3 | 152 | -177 | 30.4 | 0 | 0 | 0 | 109.4 | | |
| 51 | S | 47.2 | Very low | 45.5 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 49% | 0.49 | 71% | 0.712 | S | S | . | * | | | trans | -96.5 | 111.6 | 163.3 | 54.3 | 0 | 0 | 0 | 0 | 106.7 | H49 Y53 | H49-S51 PolarHBondContact O-N 3.08Å; S51-Y53 VanDerWaalsContact C-N 3.26Å; S51-Y53 PolarHBondContact O-N 3.37Å |
| 52 | N | 36.3 | Very low | 45.6 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | trans | -48.4 | 95.1 | 163.8 | -73.3 | -37.9 | 0 | 0 | 0 | 108.4 | V54 | N52-V54 PolarHBondContact O-N 3.42Š|
| 53 | Y | 45.8 | Very low | 45.9 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 82% | 0.82 | 71% | 0.707 | S | S | * | * | | | trans | -68.6 | 95.9 | 165.1 | -96.1 | -90.2 | 0 | 0 | 0 | 105.8 | S51 Y55 | S51-Y53 VanDerWaalsContact C-N 3.26Å; S51-Y53 PolarHBondContact O-N 3.37Å; Y53-Y55 PolarHBondContact O-N 3.1Å; Y53-Y55 VanDerWaalsContact O-N 3.16Å |
| 54 | V | 44 | Very low | 45.9 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | | | trans | -44.9 | 120.5 | 165.7 | 175.1 | 0 | 0 | 0 | 0 | 106.9 | N52 D56 | N52-V54 PolarHBondContact O-N 3.42Å; V54-D56 VanDerWaalsContact C-N 3.26Å; V54-D56 PolarHBondContact O-N 2.87Å |
| 55 | Y | 44.9 | Very low | 46.3 | Very low | 204 Ų | 204 | 136.6 Ų | 136.6 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | | | trans | -54.2 | 86.1 | 178.9 | -74.8 | -95.3 | 0 | 0 | 0 | 110.7 | Y53 H57 | Y53-Y55 PolarHBondContact O-N 3.1Å; Y53-Y55 VanDerWaalsContact O-N 3.16Å; Y55-H57 PolarHBondContact O-N 3.03Å |
| 56 | D | 42.2 | Very low | 46.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | | | trans | -81.9 | 77.2 | 169.6 | -158.3 | -2 | 0 | 0 | 0 | 108.3 | V54 Q58 | V54-D56 VanDerWaalsContact C-N 3.26Å; V54-D56 PolarHBondContact O-N 2.87Å; D56-Q58 PolarHBondContact O-N 3.23Å |
| 57 | H | 47.8 | Very low | 47 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 7.4 | 176.6 | -105.2 | -60.1 | 0 | 0 | 0 | 113.6 | Y55 | Y55-H57 PolarHBondContact O-N 3.03Š|
| 58 | Q | 46.8 | Very low | 47.5 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 72% | 0.715 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -22.2 | 178.8 | -69.1 | -167.2 | 7.3 | 0 | 0 | 114.3 | D56 T60 | D56-Q58 PolarHBondContact O-N 3.23Å; Q58-T60 VanDerWaalsContact C-N 3.29Å; Q58-T60 PolarHBondContact O-N 3.34Å |
| 59 | S | 50.7 | Low | 48.1 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 54% | 0.538 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -70.3 | -21.6 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 60 | T | 48 | Very low | 49.1 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 45% | 0.448 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -76.5 | -30.6 | -176.3 | -30.2 | 0 | 0 | 0 | 0 | 112.9 | Q58 Q63 H64 | Q58-T60 VanDerWaalsContact C-N 3.29Å; Q58-T60 PolarHBondContact O-N 3.34Å; T60-Q63 PolarHBondContact O-N 3.08Å; T60-H64 PolarHBondContact O-N 3.35Å |
| 61 | A | 50 | Low | 50.2 | Low | 73 Ų | 73 | 125.2 Ų | 125.2 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.6 | -33.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 62 | L | 51.1 | Low | 51.4 | Low | 138 Ų | 138 | 125 Ų | 125 | 72% | 0.723 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.7 | -32.1 | 178.6 | -86.6 | 158.5 | 0 | 0 | 0 | 112.5 | | |
| 63 | Q | 52.1 | Low | 53.2 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 62% | 0.621 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.3 | -35.2 | 178.4 | -70.3 | -173.9 | -1.3 | 0 | 0 | 112.7 | T60 K65 Q66 I67 | T60-Q63 PolarHBondContact O-N 3.08Å; Q63-K65 PolarHBondContact O-N 3.41Å; Q63-Q66 PolarHBondContact O-N 3.45Å; Q63-I67 WeakPolarHBondContact O-CG1 3.43Å |
| 64 | H | 48.8 | Very low | 54.7 | Low | 134 Ų | 134 | 120.1 Ų | 120.1 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.9 | -37.7 | -177.7 | -110.6 | 143.5 | 0 | 0 | 0 | 113.2 | T60 Q66 | T60-H64 PolarHBondContact O-N 3.35Å; H64-Q66 VanDerWaalsContact C-N 3.35Å; H64-Q66 PolarHBondContact O-N 3.24Å |
| 65 | K | 52.3 | Low | 56.3 | Low | 186 Ų | 186 | 118 Ų | 118 | 81% | 0.809 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.6 | -26.8 | -177.5 | -89.4 | -172.8 | 175 | -179.3 | 0 | 114.5 | Q63 | Q63-K65 PolarHBondContact O-N 3.41Å |
| 66 | Q | 52.6 | Low | 57.8 | Low | 158 Ų | 158 | 112.2 Ų | 112.2 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -87.7 | -21.1 | -173.4 | -155.6 | 173.2 | -3.2 | 0 | 0 | 113.1 | Q63 H64 | Q63-Q66 PolarHBondContact O-N 3.45Å; H64-Q66 VanDerWaalsContact C-N 3.35Å; H64-Q66 PolarHBondContact O-N 3.24Å |
| 67 | I | 53.1 | Low | 59.6 | Low | 99 Ų | 99 | 112.4 Ų | 112.4 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.9 | -30.6 | 179.9 | -65.3 | 169.4 | 0 | 0 | 0 | 111.5 | Q63 S70 K71 | Q63-I67 WeakPolarHBondContact O-CG1 3.43Å; I67-S70 PolarHBondContact O-OG 2.95Å; I67-K71 PolarHBondContact O-N 3.02Å |
| 68 | D | 55.3 | Low | 61 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.8 | -34 | -173.4 | -73 | -28.9 | 0 | 0 | 0 | 113.7 | S72 | D68-S72 WeakPolarHBondContact O-CB 3.19Å; D68-S72 PolarHBondContact O-N 3.33Å |
| 69 | A | 59 | Low | 62.5 | Low | 70 Ų | 70 | 109.5 Ų | 109.5 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.7 | -41.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S72 H73 | A69-S72 PolarHBondContact O-N 3.06Å; A69-H73 PolarHBondContact O-N 3Å |
| 70 | S | 60.4 | Low | 63.6 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.8 | -38.6 | -179.8 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | I67 H73 F74 | I67-S70 PolarHBondContact O-OG 2.95Å; S70-H73 PolarHBondContact O-N 3.39Å; S70-F74 PolarHBondContact O-N 3.48Å |
| 71 | K | 65.8 | Low | 64.8 | Low | 137 Ų | 137 | 116.1 Ų | 116.1 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.1 | -43.4 | 175.2 | -166 | 175.4 | -178 | -178.6 | 0 | 111.6 | I67 H73 F74 E75 | I67-K71 PolarHBondContact O-N 3.02Å; K71-H73 VanDerWaalsContact C-N 3.33Å; K71-H73 PolarHBondContact O-N 3.08Å; K71-F74 PolarHBondContact O-N 2.98Å; K71-E75 WeakPolarHBondContact O-CG 3.33Å; K71-E75 PolarHBondContact O-N 2.95Å |
| 72 | S | 71.9 | Confident | 65.7 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | D68 A69 N76 | D68-S72 WeakPolarHBondContact O-CB 3.19Å; D68-S72 PolarHBondContact O-N 3.33Å; A69-S72 PolarHBondContact O-N 3.06Å; S72-N76 WeakPolarHBondContact O-CB 3.43Å; S72-N76 PolarHBondContact O-N 3.45Å; S72-N76 VanDerWaalsContact O-N 3.08Å |
| 73 | H | 75.4 | Confident | 66.2 | Low | 136 Ų | 136 | 120 Ų | 120 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 178.2 | -174.7 | 14.7 | 0 | 0 | 0 | 111.6 | A69 S70 K71 N76 W77 | A69-H73 PolarHBondContact O-N 3Å; S70-H73 PolarHBondContact O-N 3.39Å; K71-H73 VanDerWaalsContact C-N 3.33Å; K71-H73 PolarHBondContact O-N 3.08Å; H73-N76 PolarHBondContact O-N 3.36Å; H73-W77 WeakPolarHBondContact O-CB 3.41Å; H73-W77 PolarHBondContact O-N 3.22Å |
| 74 | F | 76.5 | Confident | 66.5 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.4 | -43.4 | 178.4 | -176.7 | -104.6 | 0 | 0 | 0 | 112.4 | S70 K71 N76 W77 K78 | S70-F74 PolarHBondContact O-N 3.48Å; K71-F74 PolarHBondContact O-N 2.98Å; F74-N76 PolarHBondContact O-N 3.5Å; F74-W77 HydrophobicContact CD2-CE3 4.17Å; F74-W77 HydrophobicContact CE2-CE3 4.04Å; F74-W77 AromaticContact CE2-CZ3 3.94Å; F74-W77 HydrophobicContact CE2-CZ3 3.94Å; F74-W77 PolarHBondContact O-N 3.45Å; F74-K78 WeakPolarHBondContact O-CB 3.5Å; F74-K78 PolarHBondContact O-N 3.43Å |
| 75 | E | 77.6 | Confident | 67 | Low | 81 Ų | 81 | 117.5 Ų | 117.5 | 38% | 0.379 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -39.2 | 176.5 | -71.2 | -61.4 | 150.5 | 0 | 0 | 112.4 | K71 K78 K79 | K71-E75 WeakPolarHBondContact O-CG 3.33Å; K71-E75 PolarHBondContact O-N 2.95Å; E75-K78 PolarHBondContact O-N 3.42Å; E75-K79 WeakPolarHBondContact O-CG 3.38Å; E75-K79 PolarHBondContact O-N 3.47Å |
| 76 | N | 77.1 | Confident | 67.2 | Low | 83 Ų | 83 | 114.7 Ų | 114.7 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.7 | -73.5 | -11.5 | 0 | 0 | 0 | 111.8 | S72 H73 F74 K78 K79 E80 | S72-N76 WeakPolarHBondContact O-CB 3.43Å; S72-N76 PolarHBondContact O-N 3.45Å; S72-N76 VanDerWaalsContact O-N 3.08Å; H73-N76 PolarHBondContact O-N 3.36Å; F74-N76 PolarHBondContact O-N 3.5Å; N76-K78 VanDerWaalsContact C-N 3.26Å; N76-K78 PolarHBondContact O-N 3Å; N76-K79 PolarHBondContact O-N 3.49Å; N76-E80 PolarHBondContact O-N 3.09Å; N76-E80 VanDerWaalsContact O-N 3.08Å |
| 77 | W | 79.7 | Confident | 67.5 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 45% | 0.451 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 176 | 175.4 | 77.8 | 0 | 0 | 0 | 112.2 | H73 F74 R81 | H73-W77 WeakPolarHBondContact O-CB 3.41Å; H73-W77 PolarHBondContact O-N 3.22Å; F74-W77 HydrophobicContact CD2-CE3 4.17Å; F74-W77 HydrophobicContact CE2-CE3 4.04Å; F74-W77 AromaticContact CE2-CZ3 3.94Å; F74-W77 HydrophobicContact CE2-CZ3 3.94Å; F74-W77 PolarHBondContact O-N 3.45Å; W77-R81 PolarHBondContact O-N 3.49Å |
| 78 | K | 77.7 | Confident | 67.8 | Low | 91 Ų | 91 | 111.5 Ų | 111.5 | 40% | 0.396 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -51.3 | 175.8 | -165.7 | -179.7 | 175.6 | -174.4 | 0 | 110.8 | F74 E75 N76 E80 R81 F82 | F74-K78 WeakPolarHBondContact O-CB 3.5Å; F74-K78 PolarHBondContact O-N 3.43Å; E75-K78 PolarHBondContact O-N 3.42Å; N76-K78 VanDerWaalsContact C-N 3.26Å; N76-K78 PolarHBondContact O-N 3Å; K78-E80 PolarHBondContact O-N 2.63Å; K78-R81 PolarHBondContact O-N 3.31Å; K78-F82 HydrophobicContact CD-CE2 4.26Å; K78-F82 HydrophobicContact CG-CD2 3.62Å; K78-F82 HydrophobicContact CG-CE2 3.5Å; K78-F82 VanDerWaalsContact CG-CE2 3.5Å; K78-F82 WeakPolarHBondContact O-CD2 3.45Å; K78-F82 PolarHBondContact O-N 3.38Å; K78-F82 VanDerWaalsContact O-N 3.1Å |
| 79 | K | 77.7 | Confident | 67.9 | Low | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.8 | -44.9 | 179.8 | -75.7 | 177.1 | -178.4 | 178 | 0 | 113 | E75 N76 R81 F82 W83 | E75-K79 WeakPolarHBondContact O-CG 3.38Å; E75-K79 PolarHBondContact O-N 3.47Å; N76-K79 PolarHBondContact O-N 3.49Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 2.8Å; K79-F82 PolarHBondContact O-N 3.06Å; K79-W83 WeakPolarHBondContact O-CB 3.48Å; K79-W83 PolarHBondContact O-N 3.19Å; K79-W83 VanDerWaalsContact O-N 3.08Å |
| 80 | E | 74.3 | Confident | 67.8 | Low | 137 Ų | 137 | 113.5 Ų | 113.5 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.7 | -41.6 | 178.7 | -73.6 | 177.4 | 177.5 | 0 | 0 | 112.3 | N76 K78 | N76-E80 PolarHBondContact O-N 3.09Å; N76-E80 VanDerWaalsContact O-N 3.08Å; K78-E80 PolarHBondContact O-N 2.63Å |
| 81 | R | 72.7 | Confident | 67.4 | Low | 152 Ų | 152 | 115.5 Ų | 115.5 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.1 | -40.9 | -179.6 | -74.3 | -168.4 | 172.3 | -115.7 | -1.2 | 113.6 | W77 K78 K79 M84 | W77-R81 PolarHBondContact O-N 3.49Å; K78-R81 PolarHBondContact O-N 3.31Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 2.8Å; R81-M84 PolarHBondContact O-N 3.19Å |
| 82 | F | 68.1 | Low | 66.6 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.3 | -29.5 | -178.7 | -75.6 | -73.7 | 0 | 0 | 0 | 112.5 | K78 K79 M84 I85 E86 | K78-F82 HydrophobicContact CD-CE2 4.26Å; K78-F82 HydrophobicContact CG-CD2 3.62Å; K78-F82 HydrophobicContact CG-CE2 3.5Å; K78-F82 VanDerWaalsContact CG-CE2 3.5Å; K78-F82 WeakPolarHBondContact O-CD2 3.45Å; K78-F82 PolarHBondContact O-N 3.38Å; K78-F82 VanDerWaalsContact O-N 3.1Å; K79-F82 PolarHBondContact O-N 3.06Å; F82-M84 VanDerWaalsContact C-N 3.32Å; F82-M84 PolarHBondContact O-N 3.43Å; F82-I85 HydrophobicContact CD1-CD1 4.09Å; F82-I85 HydrophobicContact CE1-CD1 4.42Å; F82-I85 PolarHBondContact O-N 3.34Å; F82-I85 VanDerWaalsContact O-N 3.14Å; F82-E86 PolarHBondContact O-N 2.99Å |
| 83 | W | 61.5 | Low | 66.3 | Low | 176 Ų | 176 | 120.2 Ų | 120.2 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.3 | -33.7 | 175.3 | -160.1 | 65.2 | 0 | 0 | 0 | 113.1 | K79 I85 E86 T87 | K79-W83 WeakPolarHBondContact O-CB 3.48Å; K79-W83 PolarHBondContact O-N 3.19Å; K79-W83 VanDerWaalsContact O-N 3.08Å; W83-I85 VanDerWaalsContact C-N 3.28Å; W83-I85 PolarHBondContact O-N 3.33Å; W83-E86 PolarHBondContact O-N 2.97Å; W83-T87 HydrophobicContact CZ2-CG2 4.49Å; W83-T87 PolarHBondContact O-N 3.15Å; W83-T87 PolarHBondContact O-OG1 3Å; W83-T87 VanDerWaalsContact O-OG1 3.07Å |
| 84 | M | 59.3 | Low | 65.8 | Low | 123 Ų | 123 | 119.4 Ų | 119.4 | 61% | 0.606 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.7 | -29.5 | 173.6 | -67.2 | -174.3 | 98.6 | 0 | 0 | 112.9 | R81 F82 T87 M88 | R81-M84 PolarHBondContact O-N 3.19Å; F82-M84 VanDerWaalsContact C-N 3.32Å; F82-M84 PolarHBondContact O-N 3.43Å; M84-T87 PolarHBondContact O-OG1 2.69Å; M84-T87 VanDerWaalsContact O-OG1 3.13Å; M84-M88 WeakPolarHBondContact O-CG 3.18Å; M84-M88 PolarHBondContact O-N 3.16Å |
| 85 | I | 58.5 | Low | 65.2 | Low | 90 Ų | 90 | 119.7 Ų | 119.7 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.1 | -40.8 | 179.6 | -60.9 | 172.1 | 0 | 0 | 0 | 110.8 | F82 W83 N89 | F82-I85 HydrophobicContact CD1-CD1 4.09Å; F82-I85 HydrophobicContact CE1-CD1 4.42Å; F82-I85 PolarHBondContact O-N 3.34Å; F82-I85 VanDerWaalsContact O-N 3.14Å; W83-I85 VanDerWaalsContact C-N 3.28Å; W83-I85 PolarHBondContact O-N 3.33Å; I85-N89 PolarHBondContact O-N 2.9Å |
| 86 | E | 58 | Low | 64.5 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.6 | -38.5 | 179.7 | -73.1 | -176.4 | 167.4 | 0 | 0 | 112.9 | F82 W83 N89 S90 | F82-E86 PolarHBondContact O-N 2.99Å; W83-E86 PolarHBondContact O-N 2.97Å; E86-N89 PolarHBondContact O-N 2.73Å; E86-S90 PolarHBondContact O-N 3.48Å; E86-S90 PolarHBondContact O-OG 3.18Å |
| 87 | T | 58.6 | Low | 63.7 | Low | 56 Ų | 56 | 124.4 Ų | 124.4 | 34% | 0.344 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.6 | -39.8 | 178 | 47 | 0 | 0 | 0 | 0 | 111.9 | W83 M84 N89 S90 T91 | W83-T87 HydrophobicContact CZ2-CG2 4.49Å; W83-T87 PolarHBondContact O-N 3.15Å; W83-T87 PolarHBondContact O-OG1 3Å; W83-T87 VanDerWaalsContact O-OG1 3.07Å; M84-T87 PolarHBondContact O-OG1 2.69Å; M84-T87 VanDerWaalsContact O-OG1 3.13Å; T87-N89 VanDerWaalsContact C-N 3.31Å; T87-N89 PolarHBondContact O-N 2.76Å; T87-S90 PolarHBondContact O-N 2.78Å; T87-T91 PolarHBondContact O-N 3.2Å; T87-T91 PolarHBondContact O-OG1 3.45Å |
| 88 | M | 58.1 | Low | 62.7 | Low | 134 Ų | 134 | 124.7 Ų | 124.7 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.5 | -40.6 | 174.5 | -75.8 | -177.8 | 166.4 | 0 | 0 | 112.4 | M84 S90 T92 | M84-M88 WeakPolarHBondContact O-CG 3.18Å; M84-M88 PolarHBondContact O-N 3.16Å; M88-S90 VanDerWaalsContact C-N 3.34Å; M88-S90 PolarHBondContact O-N 3.16Å; M88-T92 PolarHBondContact O-OG1 3.46Å |
| 89 | N | 58.3 | Low | 61.6 | Low | 119 Ų | 119 | 127.1 Ų | 127.1 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.3 | -22.3 | 179.7 | -69.4 | -17.4 | 0 | 0 | 0 | 113.9 | I85 E86 T87 | I85-N89 PolarHBondContact O-N 2.9Å; E86-N89 PolarHBondContact O-N 2.73Å; T87-N89 VanDerWaalsContact C-N 3.31Å; T87-N89 PolarHBondContact O-N 2.76Å |
| 90 | S | 57.2 | Low | 60.3 | Low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -87.6 | -11.6 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | E86 T87 M88 | E86-S90 PolarHBondContact O-N 3.48Å; E86-S90 PolarHBondContact O-OG 3.18Å; T87-S90 PolarHBondContact O-N 2.78Å; M88-S90 VanDerWaalsContact C-N 3.34Å; M88-S90 PolarHBondContact O-N 3.16Å |
| 91 | T | 51.7 | Low | 59.2 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 64% | 0.635 | S | S | * | * | | | trans | -101.3 | 12.3 | -177.3 | -23.8 | 0 | 0 | 0 | 0 | 113.1 | T87 | T87-T91 PolarHBondContact O-N 3.2Å; T87-T91 PolarHBondContact O-OG1 3.45Å |
| 92 | T | 48.3 | Very low | 57.9 | Low | 180 Ų | 180 | 122.4 Ų | 122.4 | 100% | 1.104 | 64% | 0.64 | S | S | * | * | | | trans | -111 | 0 | 173.4 | -25.7 | 0 | 0 | 0 | 0 | 109 | M88 | M88-T92 PolarHBondContact O-OG1 3.46Š|