| 1 | M | 43.7 | Very low | 42.5 | Very low | 237 Ų | 237 | 154.9 Ų | 154.9 | 100% | 1.167 | 85% | 0.851 | S | S | * | * | | | | 0 | 144.9 | 0 | -86.5 | 170.6 | 166.6 | 0 | 0 | 107 | | |
| 2 | E | 45.3 | Very low | 41.8 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | | | trans | 74.8 | 96.7 | -163.4 | -58.5 | -175.1 | 127 | 0 | 0 | 112.2 | | |
| 3 | M | 36.9 | Very low | 41.7 | Very low | 180 Ų | 180 | 151.6 Ų | 151.6 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | | | | 56.3 | 95.3 | 52.2 | -64.5 | -158.4 | -152.6 | 0 | 0 | 114.8 | | |
| 4 | S | 53.1 | Low | 41.2 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | | | trans | -155.7 | 116.6 | 135.5 | -108.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 5 | H | 42.5 | Very low | 41.4 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 78% | 0.782 | 84% | 0.841 | S | S | * | * | | | trans | -56.2 | 146 | 164.7 | -77.5 | -109.3 | 0 | 0 | 0 | 111.3 | | |
| 6 | H | 49.2 | Very low | 41 | Very low | 146 Ų | 146 | 155.3 Ų | 155.3 | 68% | 0.676 | 83% | 0.834 | S | S | * | * | | | | -173.7 | 118.9 | 117.8 | -110.7 | -136.1 | 0 | 0 | 0 | 113.5 | | |
| 7 | R | 47 | Very low | 41.1 | Very low | 208 Ų | 208 | 152.3 Ų | 152.3 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | | | trans | 74.2 | 103.1 | 135.2 | -63.2 | -173.8 | -169.1 | -149.9 | 5 | 120.2 | | |
| 8 | S | 37.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -37.7 | 139.4 | 141.3 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 9 | C | 41.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | | | trans | -142.2 | 112.2 | 138.8 | -133.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 10 | G | 33.7 | Very low | 41.1 | Very low | 71 Ų | 71 | 153.9 Ų | 153.9 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | trans | -79.2 | 138.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 11 | C | 38.2 | Very low | 41 | Very low | 127 Ų | 127 | 155.8 Ų | 155.8 | 86% | 0.858 | 83% | 0.825 | S | S | * | * | | | trans | -127 | 97.1 | 157.7 | -82.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 12 | S | 34.1 | Very low | 41 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -69.6 | 116 | 161.6 | -139.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 13 | L | 40.2 | Very low | 41 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -125.5 | 89.2 | 160.4 | -79.2 | 173 | 0 | 0 | 0 | 108.2 | | |
| 14 | R | 35 | Very low | 41.5 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -65.6 | 126.6 | 153.6 | -78.5 | 178.3 | 170.2 | 151.1 | -4.1 | 107.6 | | |
| 15 | L | 43.8 | Very low | 41.1 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -128.7 | 94.1 | 157 | -88.3 | 164.5 | 0 | 0 | 0 | 107.4 | A17 | L15-A17 PolarHBondContact O-N 2.88Š|
| 16 | D | 34.9 | Very low | 41.2 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -60.6 | 108.6 | 161.9 | -78.3 | -60 | 0 | 0 | 0 | 108.7 | | |
| 17 | A | 43.4 | Very low | 41.2 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | | | trans | -114.7 | 58 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | L15 | L15-A17 PolarHBondContact O-N 2.88Š|
| 18 | T | 40 | Very low | 41.1 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 61% | 0.613 | 77% | 0.772 | S | S | * | * | | | trans | -106.7 | 150.5 | 159.1 | -22.3 | 0 | 0 | 0 | 0 | 105.4 | | |
| 19 | Y | 36 | Very low | 41.3 | Very low | 216 Ų | 216 | 138.9 Ų | 138.9 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | trans | 84.9 | 90.9 | 179.6 | -54.5 | -83.8 | 0 | 0 | 0 | 116.5 | | |
| 20 | H | 45.7 | Very low | 41.5 | Very low | 173 Ų | 173 | 141 Ų | 141 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | | -170 | 2.7 | 128.2 | -112.2 | -65 | 0 | 0 | 0 | 116.8 | D22 | H20-D22 PolarHBondContact O-N 2.76Š|
| 21 | F | 39.5 | Very low | 42.3 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 11.9 | -172.8 | -118.7 | -84.8 | 0 | 0 | 0 | 117 | | |
| 22 | D | 44.4 | Very low | 43.4 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 66% | 0.658 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 3.7 | -170.4 | -134.6 | -6.1 | 0 | 0 | 0 | 114.7 | H20 | H20-D22 PolarHBondContact O-N 2.76Š|
| 23 | A | 45.1 | Very low | 44.4 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -100.3 | -19.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 24 | T | 46.9 | Very low | 45 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -92.1 | -6.3 | -177.1 | 20.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 25 | L | 44.7 | Very low | 46.2 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97 | -1.8 | 178.9 | -84.1 | 163.2 | 0 | 0 | 0 | 114.7 | | |
| 26 | R | 45.2 | Very low | 47.1 | Very low | 205 Ų | 205 | 145.5 Ų | 145.5 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -94.5 | -2.2 | 178.7 | -77.6 | -172.1 | -162.2 | -174.5 | 5.5 | 115.6 | | |
| 27 | A | 49.2 | Very low | 48.2 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -95.5 | 2.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 28 | H | 44 | Very low | 49 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | | | trans | -115.9 | 34.5 | -179.6 | -73.1 | -71.2 | 0 | 0 | 0 | 114.1 | H30 | H28-H30 PolarHBondContact O-N 3.09Š|
| 29 | S | 41.1 | Very low | 49.7 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | | | trans | -78.5 | 30.6 | 177.8 | 55 | 0 | 0 | 0 | 0 | 114.7 | I31 | S29-I31 VanDerWaalsContact C-N 3.35Å; S29-I31 PolarHBondContact O-N 2.97Å |
| 30 | H | 46 | Very low | 50.7 | Low | 175 Ų | 175 | 145.4 Ų | 145.4 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | | | trans | -90.6 | 72.8 | 172.4 | -146.7 | -42.3 | 0 | 0 | 0 | 110.2 | H28 P32 | H28-H30 PolarHBondContact O-N 3.09Å; H30-P32 VanDerWaalsContact O-CD 3.3Å; H30-P32 WeakPolarHBondContact O-CD 3.43Å |
| 31 | I | 51.8 | Low | 51.4 | Low | 144 Ų | 144 | 144.5 Ų | 144.5 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | | | trans | -79.5 | 114.8 | 170.8 | -60.8 | 171 | 0 | 0 | 0 | 107.5 | S29 K33 | S29-I31 VanDerWaalsContact C-N 3.35Å; S29-I31 PolarHBondContact O-N 2.97Å; I31-K33 PolarHBondContact O-N 3.35Å |
| 32 | P | 59.7 | Low | 52.2 | Low | 92 Ų | 92 | 145 Ų | 145 | 60% | 0.597 | 72% | 0.717 | S | S | * | * | | | trans | -64 | 123.8 | 171.6 | 24.3 | -29.1 | 0 | 0 | 0 | 108.8 | H30 F34 | H30-P32 VanDerWaalsContact O-CD 3.3Å; H30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-F34 PolarHBondContact O-N 3.42Å |
| 33 | K | 55 | Low | 52.6 | Low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | | | trans | -61.2 | 99.1 | 172.7 | -75.8 | 176.9 | 177.8 | 172.9 | 0 | 108.5 | I31 Q35 | I31-K33 PolarHBondContact O-N 3.35Å; K33-Q35 PolarHBondContact O-N 3.5Å |
| 34 | F | 54.2 | Low | 53.2 | Low | 156 Ų | 156 | 145.3 Ų | 145.3 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | | | trans | -64.3 | 118.4 | 167.8 | -109.9 | -94.4 | 0 | 0 | 0 | 108.6 | P32 K36 | P32-F34 PolarHBondContact O-N 3.42Å; F34-K36 PolarHBondContact O-N 3.25Å |
| 35 | Q | 59.8 | Low | 53.1 | Low | 148 Ų | 148 | 143.4 Ų | 143.4 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | | | trans | -66.1 | 123.6 | 171.4 | -67.2 | -162.1 | 28.8 | 0 | 0 | 108.3 | K33 D37 E38 | K33-Q35 PolarHBondContact O-N 3.5Å; Q35-D37 PolarHBondContact O-N 3.37Å; Q35-E38 PolarHBondContact O-N 2.82Å |
| 36 | K | 62.1 | Low | 53.3 | Low | 191 Ų | 191 | 144 Ų | 144 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -9.5 | -175.5 | -90.6 | 179.4 | 174.1 | 176.7 | 0 | 114.2 | F34 | F34-K36 PolarHBondContact O-N 3.25Š|
| 37 | D | 59.1 | Low | 53.4 | Low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -19 | -175 | -61.4 | -40 | 0 | 0 | 0 | 113.4 | Q35 | Q35-D37 PolarHBondContact O-N 3.37Š|
| 38 | E | 58.6 | Low | 53.6 | Low | 128 Ų | 128 | 139.5 Ų | 139.5 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -18 | -179.6 | -152.2 | 170.6 | -171.2 | 0 | 0 | 112.8 | Q35 | Q35-E38 PolarHBondContact O-N 2.82Š|
| 39 | F | 55.5 | Low | 53.9 | Low | 126 Ų | 126 | 139.1 Ų | 139.1 | 55% | 0.553 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -79.9 | -16 | -180 | -133.4 | -91.6 | 0 | 0 | 0 | 113.6 | L43 | F39-L43 HydrophobicContact CD1-CD1 4.15Å; F39-L43 HydrophobicContact CD1-CG 4.49Å |
| 40 | K | 56.6 | Low | 54.6 | Low | 169 Ų | 169 | 142.8 Ų | 142.8 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -75.9 | -27.4 | 176.9 | -100.8 | -176.2 | 175.8 | 179.2 | 0 | 112.7 | S44 | K40-S44 WeakPolarHBondContact O-CB 3.37Å; K40-S44 PolarHBondContact O-N 3.25Å; K40-S44 PolarHBondContact O-OG 3.47Å |
| 41 | E | 60.9 | Low | 54.9 | Low | 154 Ų | 154 | 144.9 Ų | 144.9 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -75.6 | -34.6 | 177.9 | -161.7 | 169.6 | 173.8 | 0 | 0 | 111.8 | L43 S44 | E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.24Å; E41-S44 WeakPolarHBondContact CA-OG 2.91Å; E41-S44 PolarHBondContact O-N 3.35Å; E41-S44 PolarHBondContact O-OG 2.81Å |
| 42 | Y | 55.6 | Low | 55.5 | Low | 205 Ų | 205 | 147 Ų | 147 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -70.1 | -21.6 | 176.4 | -96.1 | -87.4 | 0 | 0 | 0 | 114.7 | | |
| 43 | L | 53.8 | Low | 55.7 | Low | 138 Ų | 138 | 148.8 Ų | 148.8 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -98.3 | -11.1 | 178 | -67.6 | 174.7 | 0 | 0 | 0 | 113.5 | F39 E41 | F39-L43 HydrophobicContact CD1-CD1 4.15Å; F39-L43 HydrophobicContact CD1-CG 4.49Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.24Å |
| 44 | S | 57.4 | Low | 55.9 | Low | 66 Ų | 66 | 149.8 Ų | 149.8 | 46% | 0.462 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -93.2 | 13.9 | -175.2 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | K40 E41 N46 | K40-S44 WeakPolarHBondContact O-CB 3.37Å; K40-S44 PolarHBondContact O-N 3.25Å; K40-S44 PolarHBondContact O-OG 3.47Å; E41-S44 WeakPolarHBondContact CA-OG 2.91Å; E41-S44 PolarHBondContact O-N 3.35Å; E41-S44 PolarHBondContact O-OG 2.81Å; S44-N46 PolarHBondContact O-N 3Å |
| 45 | G | 44.8 | Very low | 56.7 | Low | 72 Ų | 72 | 152.9 Ų | 152.9 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | 63 | 8.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 46 | N | 49.9 | Very low | 56.7 | Low | 157 Ų | 157 | 154.5 Ų | 154.5 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -105.3 | 10.1 | -171.3 | -80 | -12.7 | 0 | 0 | 0 | 114.8 | S44 A48 | S44-N46 PolarHBondContact O-N 3Å; N46-A48 PolarHBondContact O-N 3.23Å |
| 47 | A | 46.4 | Very low | 56.3 | Low | 99 Ų | 99 | 148.9 Ų | 148.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -79 | 109.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E49 | A47-E49 PolarHBondContact O-N 3.4Š|
| 48 | A | 54 | Low | 55.7 | Low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -35.7 | 125.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N46 Q50 | N46-A48 PolarHBondContact O-N 3.23Å; A48-Q50 VanDerWaalsContact C-N 3.3Å; A48-Q50 PolarHBondContact O-N 3.19Å |
| 49 | E | 50.3 | Low | 55.7 | Low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -56.5 | 86.7 | 176.8 | -167 | -179.2 | 178.8 | 0 | 0 | 110.4 | A47 R51 | A47-E49 PolarHBondContact O-N 3.4Å; E49-R51 VanDerWaalsContact C-N 3.25Å; E49-R51 PolarHBondContact O-N 2.86Å |
| 50 | Q | 54.7 | Low | 55.2 | Low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -67 | 93.5 | 163.3 | -76.9 | -158.2 | -6.5 | 0 | 0 | 107.3 | A48 K52 | A48-Q50 VanDerWaalsContact C-N 3.3Å; A48-Q50 PolarHBondContact O-N 3.19Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 3.19Å |
| 51 | R | 53.2 | Low | 55.2 | Low | 219 Ų | 219 | 142 Ų | 142 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | | | trans | -51.8 | 96.3 | 166.4 | -84.3 | -177.3 | 166.4 | 159.9 | -3 | 108.9 | E49 | E49-R51 VanDerWaalsContact C-N 3.25Å; E49-R51 PolarHBondContact O-N 2.86Å |
| 52 | K | 63.5 | Low | 55 | Low | 187 Ų | 187 | 141.8 Ų | 141.8 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.4 | 166.1 | -71.6 | 177.3 | -179 | 176.9 | 0 | 107.7 | Q50 R54 | Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 3.19Å; K52-R54 PolarHBondContact O-N 2.68Å; K52-R54 VanDerWaalsContact O-N 3.09Å |
| 53 | P | 65.2 | Low | 55.1 | Low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 119.5 | 178 | -23.4 | 31.6 | 0 | 0 | 0 | 110.1 | R55 | P53-R55 PolarHBondContact O-N 3.4Š|
| 54 | R | 58.9 | Low | 55.3 | Low | 225 Ų | 225 | 139.2 Ų | 139.2 | 85% | 0.849 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.3 | 174.2 | -165 | 176.1 | -178.1 | 108.5 | -3.1 | 106.5 | K52 E56 | K52-R54 PolarHBondContact O-N 2.68Å; K52-R54 VanDerWaalsContact O-N 3.09Å; R54-E56 WeakPolarHBondContact O-CG 2.96Å; R54-E56 PolarHBondContact O-N 3.35Å |
| 55 | R | 69.5 | Low | 55.6 | Low | 221 Ų | 221 | 143.2 Ų | 143.2 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | trans | -69.1 | 97.9 | -178.3 | -166 | 177.4 | -173.3 | -133 | 1.1 | 109.3 | P53 S57 | P53-R55 PolarHBondContact O-N 3.4Å; R55-S57 PolarHBondContact O-N 3.35Å |
| 56 | E | 60.7 | Low | 56.4 | Low | 181 Ų | 181 | 149.4 Ų | 149.4 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | trans | -84 | 83.4 | 174.6 | -50.6 | -160.4 | -174.2 | 0 | 0 | 109.4 | R54 | R54-E56 WeakPolarHBondContact O-CG 2.96Å; R54-E56 PolarHBondContact O-N 3.35Å |
| 57 | S | 53.4 | Low | 56.7 | Low | 74 Ų | 74 | 148.4 Ų | 148.4 | 52% | 0.517 | 74% | 0.743 | S | S | . | * | | | trans | -156.4 | 40.6 | 170.9 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | R55 | R55-S57 PolarHBondContact O-N 3.35Š|
| 58 | A | 47.2 | Very low | 57.3 | Low | 112 Ų | 112 | 147 Ų | 147 | 93% | 0.926 | 73% | 0.731 | S | S | * | * | | | trans | -108.6 | 55.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 59 | S | 58.2 | Low | 57.4 | Low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -105.2 | 129.6 | 165.1 | 60.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 60 | H | 45.6 | Very low | 57.6 | Low | 92 Ų | 92 | 149.7 Ų | 149.7 | 43% | 0.426 | 73% | 0.733 | S | S | . | * | | | trans | 84.5 | 70 | 159.7 | -128.7 | 89.6 | 0 | 0 | 0 | 118.7 | E63 | H60-E63 WeakPolarHBondContact CD2-CB 3.39Å; H60-E63 PolarHBondContact CD2-N 3.4Å; H60-E63 IonicContact CD2-OE2 3Å; H60-E63 PolarHBondContact CD2-OE2 3.03Å; H60-E63 WeakPolarHBondContact CE1-CG 3.25Å; H60-E63 IonicContact CE1-OE1 3.42Å; H60-E63 PolarHBondContact CE1-OE1 3.45Å; H60-E63 IonicContact CE1-OE2 3.35Å; H60-E63 PolarHBondContact CE1-OE2 3.41Å; H60-E63 IonicContact CG-OE2 3.57Å; H60-E63 IonicContact ND1-OE1 3.52Å; H60-E63 IonicContact ND1-OE2 3.63Å; H60-E63 WeakPolarHBondContact NE2-CA 3.36Å; H60-E63 WeakPolarHBondContact NE2-CB 3.35Å; H60-E63 WeakPolarHBondContact NE2-CG 3.49Å; H60-E63 PolarHBondContact NE2-N 3.34Å; H60-E63 IonicContact NE2-OE1 3.69Å; H60-E63 IonicContact NE2-OE2 3.35Å; H60-E63 PolarHBondContact NE2-OE2 3.01Å |
| 61 | V | 56.6 | Low | 57.6 | Low | 104 Ų | 104 | 146.6 Ų | 146.6 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -98.2 | -23 | 159.4 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | F65 | V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.22Å |
| 62 | E | 56.9 | Low | 57.5 | Low | 148 Ų | 148 | 147.9 Ų | 147.9 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -72.3 | -30.4 | -176.8 | -107 | 74.2 | -160.3 | 0 | 0 | 116.4 | F64 F65 R66 | E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 3.07Å; E62-F65 PolarHBondContact O-N 3.27Å; E62-R66 PolarHBondContact O-N 3.34Å |
| 63 | E | 57.9 | Low | 56.9 | Low | 115 Ų | 115 | 145.4 Ų | 145.4 | 54% | 0.537 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -72.2 | -24.3 | 176.7 | -83.5 | 154.1 | -164.1 | 0 | 0 | 112.6 | H60 F65 R66 | H60-E63 WeakPolarHBondContact CD2-CB 3.39Å; H60-E63 PolarHBondContact CD2-N 3.4Å; H60-E63 IonicContact CD2-OE2 3Å; H60-E63 PolarHBondContact CD2-OE2 3.03Å; H60-E63 WeakPolarHBondContact CE1-CG 3.25Å; H60-E63 IonicContact CE1-OE1 3.42Å; H60-E63 PolarHBondContact CE1-OE1 3.45Å; H60-E63 IonicContact CE1-OE2 3.35Å; H60-E63 PolarHBondContact CE1-OE2 3.41Å; H60-E63 IonicContact CG-OE2 3.57Å; H60-E63 IonicContact ND1-OE1 3.52Å; H60-E63 IonicContact ND1-OE2 3.63Å; H60-E63 WeakPolarHBondContact NE2-CA 3.36Å; H60-E63 WeakPolarHBondContact NE2-CB 3.35Å; H60-E63 WeakPolarHBondContact NE2-CG 3.49Å; H60-E63 PolarHBondContact NE2-N 3.34Å; H60-E63 IonicContact NE2-OE1 3.69Å; H60-E63 IonicContact NE2-OE2 3.35Å; H60-E63 PolarHBondContact NE2-OE2 3.01Å; E63-F65 PolarHBondContact O-N 3.26Å; E63-R66 PolarHBondContact O-N 3.28Å |
| 64 | F | 57.8 | Low | 55.7 | Low | 175 Ų | 175 | 144.1 Ų | 144.1 | 77% | 0.768 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -62.8 | -26.4 | 176.7 | -102.2 | -82 | 0 | 0 | 0 | 112.1 | E62 | E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 3.07Å |
| 65 | F | 63.5 | Low | 54.9 | Low | 149 Ų | 149 | 136.5 Ų | 136.5 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -95.4 | -21.4 | 178.4 | -64.6 | -75.8 | 0 | 0 | 0 | 113.7 | V61 E62 E63 N67 A68 | V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.22Å; E62-F65 PolarHBondContact O-N 3.27Å; E63-F65 PolarHBondContact O-N 3.26Å; F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 2.91Å; F65-A68 PolarHBondContact O-N 3.25Å |
| 66 | R | 60.8 | Low | 53.5 | Low | 203 Ų | 203 | 138.2 Ų | 138.2 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -71.4 | -21.7 | 176.5 | -74.6 | -151 | 179.1 | -162.9 | 2 | 114.2 | E62 E63 | E62-R66 PolarHBondContact O-N 3.34Å; E63-R66 PolarHBondContact O-N 3.28Å |
| 67 | N | 56.3 | Low | 52.7 | Low | 136 Ų | 136 | 138.7 Ų | 138.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 0.2 | 176.9 | -66.5 | -26.1 | 0 | 0 | 0 | 113.6 | F65 D69 | F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 2.91Å; N67-D69 VanDerWaalsContact C-N 3.34Å |
| 68 | A | 58.3 | Low | 52 | Low | 69 Ų | 69 | 141.1 Ų | 141.1 | 57% | 0.57 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -4.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F65 Q70 | F65-A68 PolarHBondContact O-N 3.25Å; A68-Q70 PolarHBondContact O-N 3.05Å |
| 69 | D | 55.9 | Low | 52 | Low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 14.5 | -179.2 | -76.1 | -27.2 | 0 | 0 | 0 | 114.6 | N67 P71 | N67-D69 VanDerWaalsContact C-N 3.34Å; D69-P71 VanDerWaalsContact O-CD 3.22Å; D69-P71 WeakPolarHBondContact O-CD 3.3Å |
| 70 | Q | 55.1 | Low | 51.3 | Low | 171 Ų | 171 | 141.7 Ų | 141.7 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | trans | -84.9 | 112.6 | 167.9 | -98.3 | -173.3 | 3.1 | 0 | 0 | 110.8 | A68 R72 | A68-Q70 PolarHBondContact O-N 3.05Å; Q70-R72 PolarHBondContact O-N 3.01Å |
| 71 | P | 55.9 | Low | 51.1 | Low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | -65.5 | 110.1 | 172.1 | 26.7 | -32 | 0 | 0 | 0 | 108.8 | D69 V73 | D69-P71 VanDerWaalsContact O-CD 3.22Å; D69-P71 WeakPolarHBondContact O-CD 3.3Å; P71-V73 PolarHBondContact O-N 2.91Å |
| 72 | R | 50.7 | Low | 50.3 | Low | 246 Ų | 246 | 141.5 Ų | 141.5 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | | | trans | -65.4 | 104.8 | 166.9 | -71.9 | -169.6 | -176.4 | 126.6 | 1.1 | 108.3 | Q70 | Q70-R72 PolarHBondContact O-N 3.01Š|
| 73 | V | 49.8 | Very low | 49.7 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -61.6 | 135.4 | 167.9 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | P71 | P71-V73 PolarHBondContact O-N 2.91Š|
| 74 | A | 41.6 | Very low | 49.2 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 72.4 | 86.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 75 | G | 41 | Very low | 48.3 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -178.2 | 94.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F77 | G75-F77 PolarHBondContact O-N 3.19Š|
| 76 | R | 39.8 | Very low | 47 | Very low | 258 Ų | 258 | 134.3 Ų | 134.3 | 97% | 0.974 | 78% | 0.777 | S | S | * | * | | | trans | -57.5 | 97.6 | 177.4 | -67.1 | 175.6 | 170.1 | -174.3 | -3.5 | 110.2 | | |
| 77 | F | 44.1 | Very low | 45.8 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | trans | -111.4 | 95.5 | 162.2 | -99 | -87 | 0 | 0 | 0 | 108.9 | G75 S79 | G75-F77 PolarHBondContact O-N 3.19Å; F77-S79 PolarHBondContact O-N 3.2Å |
| 78 | S | 38.4 | Very low | 45 | Very low | 125 Ų | 125 | 134 Ų | 134 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -76.5 | 87.8 | 165.2 | 174.4 | 0 | 0 | 0 | 0 | 108 | | |
| 79 | S | 48.7 | Very low | 44.3 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 58% | 0.58 | 79% | 0.793 | S | S | * | * | | | trans | -146.6 | 78.4 | 164.9 | 62.4 | 0 | 0 | 0 | 0 | 109.1 | F77 S81 | F77-S79 PolarHBondContact O-N 3.2Å; S79-S81 PolarHBondContact O-N 3.05Å |
| 80 | V | 42.3 | Very low | 43.4 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -77.7 | 77.8 | 164.4 | -175.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 81 | S | 42.2 | Very low | 42.6 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | -93 | 102.9 | 164.4 | -69.1 | 0 | 0 | 0 | 0 | 106.7 | S79 I83 | S79-S81 PolarHBondContact O-N 3.05Å; S81-I83 VanDerWaalsContact C-N 3.29Å; S81-I83 PolarHBondContact O-N 3.05Å |
| 82 | A | 39.3 | Very low | 41.8 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -61.8 | 90.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 83 | I | 45.3 | Very low | 41.4 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | | | trans | -92.9 | 116.8 | 165.9 | -57.6 | 172.6 | 0 | 0 | 0 | 105.3 | S81 | S81-I83 VanDerWaalsContact C-N 3.29Å; S81-I83 PolarHBondContact O-N 3.05Å |
| 84 | C | 46.8 | Very low | 40.7 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 71.3 | 64.9 | 174.2 | -119.3 | 0 | 0 | 0 | 0 | 116.5 | S86 | C84-S86 PolarHBondContact O-N 3.38Å; C84-S86 PolarHBondContact O-OG 2.97Å |
| 85 | G | 38.1 | Very low | 40.5 | Very low | 90 Ų | 90 | 126 Ų | 126 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 53 | 13.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 86 | S | 37.2 | Very low | 40.2 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 56% | 0.559 | 79% | 0.786 | S | S | * | * | | | trans | -142.8 | 86.6 | -175.3 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | C84 W88 | C84-S86 PolarHBondContact O-N 3.38Å; C84-S86 PolarHBondContact O-OG 2.97Å; S86-W88 PolarHBondContact O-N 3.01Å |
| 87 | S | 35.5 | Very low | 40 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -73.8 | 103.9 | 163.3 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | V89 | S87-V89 PolarHBondContact O-N 3.16Š|
| 88 | W | 39.7 | Very low | 39.7 | Very low | 224 Ų | 224 | 117.8 Ų | 117.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | -80.7 | 95.2 | 165.3 | -65 | 84.4 | 0 | 0 | 0 | 107 | S86 S90 | S86-W88 PolarHBondContact O-N 3.01Å; W88-S90 PolarHBondContact O-N 3.33Å |
| 89 | V | 42.9 | Very low | 39.6 | Very low | 129 Ų | 129 | 121 Ų | 121 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | -73.2 | 105.8 | 161.1 | 177.8 | 0 | 0 | 0 | 0 | 106 | S87 A91 | S87-V89 PolarHBondContact O-N 3.16Å; V89-A91 PolarHBondContact O-N 3.19Å |
| 90 | S | 36.5 | Very low | 38.7 | Very low | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 129.6 | 171.9 | -71.4 | 0 | 0 | 0 | 0 | 110.5 | W88 T92 | W88-S90 PolarHBondContact O-N 3.33Å; S90-T92 PolarHBondContact O-N 3.31Å |
| 91 | A | 39 | Very low | 38.5 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | V89 | V89-A91 PolarHBondContact O-N 3.19Š|
| 92 | T | 39 | Very low | 38.1 | Very low | 126 Ų | 126 | 123 Ų | 123 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 134.4 | 164.8 | 33.8 | 0 | 0 | 0 | 0 | 108.9 | S90 V94 | S90-T92 PolarHBondContact O-N 3.31Å; T92-V94 PolarHBondContact O-N 3.2Å |
| 93 | P | 42.6 | Very low | 38.1 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.6 | -178.5 | 26.5 | -31.8 | 0 | 0 | 0 | 110 | S95 | P93-S95 PolarHBondContact O-N 3.07Å; P93-S95 VanDerWaalsContact O-N 3.16Å |
| 94 | V | 34.7 | Very low | 37.6 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -60.5 | 111.5 | 163.5 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | T92 | T92-V94 PolarHBondContact O-N 3.2Š|
| 95 | S | 37.6 | Very low | 37.1 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -113 | 113.8 | 160.9 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | P93 | P93-S95 PolarHBondContact O-N 3.07Å; P93-S95 VanDerWaalsContact O-N 3.16Å |
| 96 | N | 34.1 | Very low | 36.8 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -75.5 | 118.7 | 162.4 | -72.6 | -30.1 | 0 | 0 | 0 | 107.2 | | |
| 97 | A | 36.1 | Very low | 36.8 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | | | trans | -159.6 | 134.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 98 | A | 37 | Very low | 36.6 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | trans | -64.8 | 171 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 99 | E | 36.5 | Very low | 36.2 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | | | trans | 74.8 | 110.2 | 167.6 | -54.1 | -178.7 | 156.9 | 0 | 0 | 113.7 | | |
| 100 | G | 30.7 | Very low | 35.6 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | | | | 93.6 | 71.6 | 54.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 101 | A | 37.9 | Very low | 35.4 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -166.5 | 117.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 102 | Q | 33.8 | Very low | 35 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -47.2 | 131 | 159.7 | -68 | 169.9 | -20.7 | 0 | 0 | 110.9 | | |
| 103 | L | 39.1 | Very low | 34.9 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | | | trans | -142.8 | 103.6 | 139.4 | -78.4 | -176.8 | 0 | 0 | 0 | 109.5 | | |
| 104 | S | 36 | Very low | 34.4 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | trans | -61.1 | 139.5 | 165.1 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 105 | G | 35.1 | Very low | 34.5 | Very low | 68 Ų | 68 | 133.1 Ų | 133.1 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 169.8 | 73.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 106 | R | 32.1 | Very low | 34.6 | Very low | 238 Ų | 238 | 133.1 Ų | 133.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | 22.8 | 116.4 | 144.8 | -76.5 | 177.7 | 163.3 | 172.7 | -4.5 | 117.6 | | |
| 107 | L | 36.6 | Very low | 34.9 | Very low | 172 Ų | 172 | 130 Ų | 130 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | | -150.9 | 98.2 | 129.9 | -100 | 167.8 | 0 | 0 | 0 | 108.4 | | |
| 108 | L | 30.8 | Very low | 35.1 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | -79.6 | 119.1 | 165.3 | -73.9 | 162.6 | 0 | 0 | 0 | 107.6 | | |
| 109 | S | 32.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -149.3 | 86.7 | 156 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | I111 | S109-I111 PolarHBondContact O-N 3.27Š|
| 110 | S | 29.6 | Very low | 35.5 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -60.4 | 112.1 | 162.1 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 111 | I | 33 | Very low | 36.2 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | trans | -88.1 | 108.3 | 163.6 | -63.3 | 171.1 | 0 | 0 | 0 | 105.6 | S109 V113 | S109-I111 PolarHBondContact O-N 3.27Å; I111-V113 PolarHBondContact O-N 2.98Å |
| 112 | S | 29.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | -71.5 | 118.5 | 169.5 | 60.4 | 0 | 0 | 0 | 0 | 108.6 | A114 | S112-A114 PolarHBondContact O-N 3.38Š|
| 113 | V | 36.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -83.5 | 73.9 | 170.8 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | I111 V116 | I111-V113 PolarHBondContact O-N 2.98Å; V113-V116 HydrophobicContact CG1-CG2 3.66Å |
| 114 | A | 32.8 | Very low | 36.9 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | trans | -122.1 | 55 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | S112 | S112-A114 PolarHBondContact O-N 3.38Š|
| 115 | N | 37 | Very low | 37.2 | Very low | 164 Ų | 164 | 129 Ų | 129 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | | | trans | -177.1 | 49.9 | 168.4 | -111.1 | -12.8 | 0 | 0 | 0 | 112.9 | P117 | N115-P117 WeakPolarHBondContact O-CD 3.43Š|
| 116 | V | 38.7 | Very low | 37.6 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | | | trans | -95.5 | 112.1 | 166.5 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | V113 D118 | V113-V116 HydrophobicContact CG1-CG2 3.66Å; V116-D118 PolarHBondContact O-N 3.22Å |
| 117 | P | 41.7 | Very low | 37.7 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 58% | 0.584 | 70% | 0.7 | S | S | * | * | | | trans | -64.9 | 128.6 | 178.5 | 26.8 | -30.5 | 0 | 0 | 0 | 108.2 | N115 V119 | N115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-V119 PolarHBondContact O-N 3.14Å |
| 118 | D | 40.8 | Very low | 37.7 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | | | trans | -54.2 | 112 | 176.6 | -169.1 | -1.9 | 0 | 0 | 0 | 109.2 | V116 Y120 S121 | V116-D118 PolarHBondContact O-N 3.22Å; D118-Y120 PolarHBondContact O-N 3.38Å; D118-Y120 PolarHBondContact OD1-N 3.23Å; D118-S121 WeakPolarHBondContact O-CB 3.05Å; D118-S121 PolarHBondContact O-N 3.26Å |
| 119 | V | 43.2 | Very low | 37.7 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 60% | 0.6 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -15.4 | -178.5 | 179 | 0 | 0 | 0 | 0 | 110.8 | P117 | P117-V119 PolarHBondContact O-N 3.14Š|
| 120 | Y | 38.5 | Very low | 37.7 | Very low | 185 Ų | 185 | 122.3 Ų | 122.3 | 73% | 0.725 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -19.9 | 171.9 | -77.6 | -85.3 | 0 | 0 | 0 | 114.9 | D118 | D118-Y120 PolarHBondContact O-N 3.38Å; D118-Y120 PolarHBondContact OD1-N 3.23Å |
| 121 | S | 44.8 | Very low | 37.9 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 50% | 0.503 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -32.1 | 176.4 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | D118 L123 R124 | D118-S121 WeakPolarHBondContact O-CB 3.05Å; D118-S121 PolarHBondContact O-N 3.26Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 2.85Å; S121-R124 PolarHBondContact O-N 3.02Å |
| 122 | L | 42.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 61% | 0.613 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -22.6 | 175.8 | -89.2 | 154.2 | 0 | 0 | 0 | 113.7 | T126 | L122-T126 PolarHBondContact O-OG1 3.25Š|
| 123 | L | 42.2 | Very low | 38.1 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 51% | 0.508 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -15.7 | 178.1 | -88.6 | 155.2 | 0 | 0 | 0 | 113.6 | S121 F127 | S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 2.85Å; L123-F127 HydrophobicContact CD2-CE2 4.07Å; L123-F127 WeakPolarHBondContact O-CD2 3.17Å |
| 124 | R | 41.4 | Very low | 38.1 | Very low | 218 Ų | 218 | 130 Ų | 130 | 82% | 0.823 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -25 | 177.1 | -80.9 | -162.3 | 176.2 | -169.3 | 1.1 | 113.6 | S121 | S121-R124 PolarHBondContact O-N 3.02Š|
| 125 | D | 42.4 | Very low | 38.1 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.3 | -1.1 | -176.5 | -71.6 | -18 | 0 | 0 | 0 | 114.2 | | |
| 126 | T | 42.3 | Very low | 38.1 | Very low | 103 Ų | 103 | 135 Ų | 135 | 63% | 0.632 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -107.5 | 4.8 | -175.7 | -3.8 | 0 | 0 | 0 | 0 | 115.7 | L122 | L122-T126 PolarHBondContact O-OG1 3.25Š|
| 127 | F | 35.8 | Very low | 37.8 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | trans | -123 | 61.6 | -177.5 | -70.3 | -80.4 | 0 | 0 | 0 | 112.8 | L123 | L123-F127 HydrophobicContact CD2-CE2 4.07Å; L123-F127 WeakPolarHBondContact O-CD2 3.17Å |
| 128 | T | 35.3 | Very low | 37.5 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | | | trans | -91.2 | 98.8 | 163.7 | -48.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 129 | C | 30.7 | Very low | 37.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | trans | -65.6 | 124.8 | 175.9 | -155.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 130 | P | 34.2 | Very low | 37.1 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -69.3 | 150.2 | 164.9 | 33.2 | -30.5 | 0 | 0 | 0 | 106.7 | | |
| 131 | Y | 33.1 | Very low | 37.1 | Very low | 224 Ų | 224 | 136.4 Ų | 136.4 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | | | trans | 88.2 | 57 | -177.1 | -60.6 | -90.9 | 0 | 0 | 0 | 117.4 | | |
| 132 | V | 33.5 | Very low | 36.9 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -154.3 | 85.2 | 136.2 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 133 | L | 31.9 | Very low | 36.7 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | | | trans | -122.5 | 87 | 162.6 | -84.6 | 170 | 0 | 0 | 0 | 107.4 | | |
| 134 | T | 37.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -105.7 | 99.8 | 164.4 | 21.5 | 0 | 0 | 0 | 0 | 108 | | |
| 135 | E | 33.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -5.9 | 113.1 | 156.1 | -65.9 | -82.4 | 147.5 | 0 | 0 | 116.2 | | |
| 136 | L | 36.1 | Very low | 36.2 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | | | trans | -126.2 | 93.5 | 157.8 | -100.3 | 158.9 | 0 | 0 | 0 | 108.3 | | |
| 137 | K | 33.8 | Very low | 36.1 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -77.8 | 126.9 | 175.6 | -161.6 | 97.4 | 172.1 | -174 | 0 | 109.6 | | |
| 138 | S | 34.3 | Very low | 36 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -139.7 | 134.4 | 165.1 | 152.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 139 | P | 35.4 | Very low | 36.3 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -100 | 170.7 | -174.1 | 37.3 | -29.3 | 0 | 0 | 0 | 113.7 | | |
| 140 | V | 41.4 | Very low | 36.6 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | 87.2 | 124.3 | 165.3 | -164.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 141 | G | 36.6 | Very low | 36.8 | Very low | 62 Ų | 62 | 137.6 Ų | 137.6 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | cis | 124.1 | 110.3 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 142 | V | 41.1 | Very low | 37.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | trans | 99.7 | 94.9 | 154.2 | -162.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 143 | A | 38.6 | Very low | 37.6 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | | 47.3 | 136.1 | 127.6 | 0 | 0 | 0 | 0 | 0 | 125.5 | | |
| 144 | P | 38.2 | Very low | 37.8 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -116.4 | 164.7 | -179.4 | 42.6 | -31.9 | 0 | 0 | 0 | 115.9 | | |
| 145 | L | 36.2 | Very low | 37.6 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | | | trans | 168.4 | 138.4 | 156.9 | -95.7 | 146.2 | 0 | 0 | 0 | 107 | | |
| 146 | T | 40.1 | Very low | 37.8 | Very low | 111 Ų | 111 | 134 Ų | 134 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | | | cis | -170.4 | 140.1 | 35.7 | 14.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 147 | K | 40.2 | Very low | 37.8 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | 37.5 | 139.4 | 134.4 | -77.4 | -178.1 | -179.3 | 179.1 | 0 | 120.9 | | |
| 148 | C | 35.2 | Very low | 37.8 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | cis | -165.4 | -158.1 | 18.8 | -87.6 | 0 | 0 | 0 | 0 | 108 | | |
| 149 | P | 40.7 | Very low | 37.8 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | | -121.5 | 179.4 | -80.7 | 38.8 | -21.4 | 0 | 0 | 0 | 113.3 | | |
| 150 | N | 38.2 | Very low | 37.9 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | 77.7 | 117.8 | 168.7 | -61.6 | -10.7 | 0 | 0 | 0 | 117.8 | | |
| 151 | G | 37.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 145.7 | 74.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 152 | I | 42 | Very low | 37.6 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | | | trans | 26.8 | 125.2 | 140.2 | -27.6 | 177.9 | 0 | 0 | 0 | 117.8 | | |
| 153 | K | 40.7 | Very low | 37.4 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | | | trans | 103.4 | 121.3 | 155.3 | -55.6 | -176.5 | -177.3 | 177.1 | 0 | 116.5 | | |
| 154 | G | 36.9 | Very low | 37.1 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | 123.8 | 73 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K156 | G154-K156 PolarHBondContact O-N 3.01Š|
| 155 | A | 32.6 | Very low | 37.2 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -71.2 | 108.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 156 | K | 38.5 | Very low | 37.2 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -143.2 | 128.7 | 155.7 | -78.4 | -169.7 | 178.8 | 175.8 | 0 | 110.9 | G154 | G154-K156 PolarHBondContact O-N 3.01Š|
| 157 | S | 36.6 | Very low | 37.3 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | 62.6 | 111.4 | 157.6 | 57.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 158 | V | 33.2 | Very low | 37.4 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -87.3 | 125.6 | 159.2 | 171.4 | 0 | 0 | 0 | 0 | 108.1 | V160 | V158-V160 HydrophobicContact CG1-CG2 3.97Š|
| 159 | S | 33.7 | Very low | 37.4 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -102.6 | 135.9 | 160.4 | 56.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 160 | V | 38.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | | | trans | -110.7 | 140.4 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | V158 | V158-V160 HydrophobicContact CG1-CG2 3.97Š|
| 161 | S | 36.4 | Very low | 37.2 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 66% | 0.657 | 82% | 0.818 | S | S | * | * | | | trans | -70.9 | 166.1 | -161.9 | -55.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 162 | D | 34.8 | Very low | 37.5 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | trans | -53.2 | 143.7 | 176.8 | -55.6 | -70.1 | 0 | 0 | 0 | 116.4 | | |
| 163 | Y | 38 | Very low | 37.2 | Very low | 212 Ų | 212 | 144.6 Ų | 144.6 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | | | trans | -133.5 | 116 | 154.9 | 15.1 | -91.1 | 0 | 0 | 0 | 108.9 | | |
| 164 | S | 31.5 | Very low | 37.2 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -101.3 | 121.2 | 167.5 | -74.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 165 | V | 39.9 | Very low | 36.9 | Very low | 130 Ų | 130 | 147 Ų | 147 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | | | trans | -111 | 118.1 | 166.9 | 175.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 166 | K | 36.9 | Very low | 37.5 | Very low | 206 Ų | 206 | 149.5 Ų | 149.5 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | -75.8 | 131.8 | 168.8 | -82.7 | 175.6 | 170.1 | 180 | 0 | 109.2 | | |
| 167 | T | 41.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -127.2 | 115 | 159.9 | 34.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 168 | E | 42.1 | Very low | 37.8 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -70.5 | 146.1 | 165.5 | -100.8 | -117.3 | 126.2 | 0 | 0 | 111.1 | | |
| 169 | P | 36 | Very low | 38 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | trans | -104.1 | 125.8 | 163.6 | 34.1 | -21.6 | 0 | 0 | 0 | 110.4 | | |
| 170 | Q | 37.9 | Very low | 38 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | | | trans | -119.6 | 121.3 | 166.2 | -148.8 | -168.4 | 11.5 | 0 | 0 | 111.2 | | |
| 171 | E | 35.8 | Very low | 38 | Very low | 181 Ų | 181 | 153.5 Ų | 153.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -62.9 | 143.4 | 170.6 | -69.2 | 171.6 | 98.2 | 0 | 0 | 112.5 | | |
| 172 | S | 44.7 | Very low | 38.2 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -175 | 119.8 | 131.1 | 36.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 173 | S | 35.2 | Very low | 38.3 | Very low | 113 Ų | 113 | 158.3 Ų | 158.3 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -72 | 174.9 | 162.9 | -119.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 174 | P | 41 | Very low | 38.3 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | | | cis | -148.6 | 148.5 | 40.4 | 36.3 | -12.8 | 0 | 0 | 0 | 119.5 | | |
| 175 | R | 30.3 | Very low | 38.7 | Very low | 225 Ų | 225 | 152.7 Ų | 152.7 | 85% | 0.849 | 82% | 0.818 | S | S | * | * | | | | 22 | 116.8 | 126.1 | -128.4 | 174.1 | -160.4 | 155.5 | 4.5 | 119 | | |
| 176 | I | 44.5 | Very low | 38.8 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | | | trans | -116.8 | 119.1 | 152.8 | -57.2 | 174.5 | 0 | 0 | 0 | 108 | | |
| 177 | K | 37.1 | Very low | 39 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | | | trans | -84.1 | 140.1 | 163.8 | -81.8 | 176.4 | 170.1 | -176.9 | 0 | 108.1 | | |
| 178 | L | 44.8 | Very low | 38.7 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -144.3 | 128.1 | 151.9 | -108 | 153.4 | 0 | 0 | 0 | 109 | | |
| 179 | E | 38.2 | Very low | 38.6 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -83.3 | 145.4 | -169.8 | -70.5 | 168.8 | 116.9 | 0 | 0 | 113 | | |
| 180 | T | 33.4 | Very low | 39.1 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | | | trans | 0.4 | 126 | 141.6 | -15.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 181 | T | 38.6 | Very low | 39.2 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | | | trans | -166.2 | 110.6 | 138 | -21.7 | 0 | 0 | 0 | 0 | 109 | | |
| 182 | E | 40.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | | 77.5 | 97.6 | 112 | -155.1 | 178 | 148.9 | 0 | 0 | 114.5 | | |
| 183 | E | 35.5 | Very low | 39.5 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | | | | 65 | 96.4 | 101.1 | -154 | -172.4 | 146 | 0 | 0 | 114.8 | | |
| 184 | A | 39.1 | Very low | 39.8 | Very low | 103 Ų | 103 | 153.4 Ų | 153.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -157.2 | 125.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 185 | S | 39.2 | Very low | 39.7 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 146.8 | -175.6 | -178.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 186 | P | 42.2 | Very low | 41 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 117.7 | 176 | 31.8 | -29.9 | 0 | 0 | 0 | 111.9 | A188 | P186-A188 PolarHBondContact O-N 2.76Š|
| 187 | Q | 41.5 | Very low | 40.6 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 128.2 | 169.2 | -97.9 | -175.8 | -17 | 0 | 0 | 111.6 | | |
| 188 | A | 35.8 | Very low | 40.7 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P186 | P186-A188 PolarHBondContact O-N 2.76Š|
| 189 | W | 39.4 | Very low | 40.6 | Very low | 245 Ų | 245 | 150.7 Ų | 150.7 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | | | trans | -86.5 | 115.2 | 168 | -72.8 | 52.7 | 0 | 0 | 0 | 108.9 | | |
| 190 | K | 45.8 | Very low | 40.4 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 124.1 | 171.6 | -70.7 | -176.3 | 175.8 | -175.1 | 0 | 109.5 | | |
| 191 | F | 39.9 | Very low | 40.7 | Very low | 198 Ų | 198 | 148.8 Ų | 148.8 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 144.7 | 161.1 | -86.4 | -88.8 | 0 | 0 | 0 | 110 | | |
| 192 | P | 51.8 | Low | 40.6 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 141.3 | 173.9 | 10.9 | 5.5 | 0 | 0 | 0 | 112.1 | | |
| 193 | S | 34.7 | Very low | 40.2 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.7 | 169.3 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 194 | A | 42.4 | Very low | 40.5 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | | | trans | -116.9 | 111.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 195 | D | 39.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | | | trans | -76.4 | 129.9 | 168.2 | -65.3 | -43.7 | 0 | 0 | 0 | 109.5 | | |
| 196 | W | 56.2 | Low | 40.6 | Very low | 221 Ų | 221 | 150.2 Ų | 150.2 | 84% | 0.837 | 83% | 0.828 | S | S | * | * | | | trans | -137 | 110.2 | 162.3 | 57 | -83.7 | 0 | 0 | 0 | 109.6 | | |
| 197 | T | 37.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | | | trans | -103.6 | 117 | 169.2 | -16.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 198 | L | 40 | Very low | 40.3 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | | | trans | -135.2 | 100.7 | 166.6 | -81 | 176.2 | 0 | 0 | 0 | 110.8 | | |
| 199 | T | 41.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | 1.2 | 124.4 | 142 | -43.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 200 | A | 33.8 | Very low | 39.8 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -75.3 | 126.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 201 | L | 40.4 | Very low | 39.5 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -108.4 | 138.5 | 167.5 | -90.3 | 159 | 0 | 0 | 0 | 109.9 | | |
| 202 | S | 37.6 | Very low | 39.2 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | | | trans | -64.7 | 154.2 | -170.2 | 44 | 0 | 0 | 0 | 0 | 116.4 | | |
| 203 | S | 31 | Very low | 38.5 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -49.9 | 167.1 | 170.6 | -51.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 204 | P | 42.4 | Very low | 38.7 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | | | | -145.5 | 149.3 | 99.5 | 33.2 | -14.6 | 0 | 0 | 0 | 117.1 | | |
| 205 | Q | 36.3 | Very low | 38.4 | Very low | 190 Ų | 190 | 153.4 Ų | 153.4 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | | | trans | -1 | 131.6 | 155.3 | -65.2 | 175.5 | -35.5 | 0 | 0 | 120.7 | | |
| 206 | M | 44.5 | Very low | 38.9 | Very low | 191 Ų | 191 | 153 Ų | 153 | 94% | 0.941 | 83% | 0.825 | S | S | * | * | | | trans | -130.6 | 133.5 | 149.8 | -88 | -86.4 | -68.2 | 0 | 0 | 108.7 | | |
| 207 | A | 39.2 | Very low | 38 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | -84.7 | 159.2 | -165 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 208 | N | 37 | Very low | 38.6 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | trans | 50 | 112.3 | 148.1 | -82.1 | -13.3 | 0 | 0 | 0 | 119.9 | | |
| 209 | C | 33 | Very low | 38.9 | Very low | 129 Ų | 129 | 154.2 Ų | 154.2 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | | 179.7 | 118.1 | 121.1 | -90.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 210 | Q | 32.8 | Very low | 38.9 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -126.5 | 129.3 | 167.1 | -87.5 | -88.8 | -28.2 | 0 | 0 | 107.8 | | |
| 211 | P | 39.1 | Very low | 39.4 | Very low | 126 Ų | 126 | 157.6 Ų | 157.6 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | | | trans | -109.3 | 117.2 | 158.2 | 11.8 | 8.2 | 0 | 0 | 0 | 110.6 | | |
| 212 | R | 33 | Very low | 39.3 | Very low | 220 Ų | 220 | 159.8 Ų | 159.8 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | | | trans | -86 | 121.2 | 171.7 | -178.6 | -175 | -172.7 | 176.6 | 2.2 | 109.2 | | |
| 213 | R | 38.4 | Very low | 39.4 | Very low | 250 Ų | 250 | 158.4 Ų | 158.4 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | | | trans | -146.1 | 140.3 | 155.1 | -82 | -161.7 | 172.4 | 164.6 | -1.8 | 111.7 | | |
| 214 | Q | 37.9 | Very low | 39.8 | Very low | 162 Ų | 162 | 157.4 Ų | 157.4 | 76% | 0.757 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 167 | -165.4 | -73.4 | 174 | -29.7 | 0 | 0 | 113.7 | | |
| 215 | P | 35.7 | Very low | 40.2 | Very low | 128 Ų | 128 | 160.5 Ų | 160.5 | 83% | 0.831 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 148 | -178.5 | 27 | -18.1 | 0 | 0 | 0 | 112.5 | | |
| 216 | I | 50 | Low | 40.4 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 128.1 | 175.7 | -64.2 | 170.4 | 0 | 0 | 0 | 108.7 | F218 | I216-F218 HydrophobicContact CG2-CD2 3.62Å; I216-F218 HydrophobicContact CG2-CE2 3.84Å |
| 217 | E | 38.5 | Very low | 40.8 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 135.9 | 170.4 | -171.5 | 173.5 | -154.5 | 0 | 0 | 108.2 | | |
| 218 | F | 49.6 | Very low | 40.9 | Very low | 197 Ų | 197 | 163 Ų | 163 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | | | trans | -135.6 | 122.5 | 168 | -99.8 | -82.1 | 0 | 0 | 0 | 109.4 | I216 | I216-F218 HydrophobicContact CG2-CD2 3.62Å; I216-F218 HydrophobicContact CG2-CE2 3.84Å |
| 219 | D | 45.6 | Very low | 41.2 | Very low | 154 Ų | 154 | 161.9 Ų | 161.9 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | | | trans | -85.6 | 150.5 | 178.7 | -140.3 | -2.8 | 0 | 0 | 0 | 110.4 | | |
| 220 | P | 40.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 162.1 Ų | 162.1 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | | | trans | -97.9 | 133.9 | -172.5 | 34.8 | -25.8 | 0 | 0 | 0 | 113 | | |
| 221 | L | 45.1 | Very low | 42 | Very low | 180 Ų | 180 | 157.2 Ų | 157.2 | 94% | 0.942 | 83% | 0.831 | S | S | * | * | | | trans | -111.4 | 107.4 | 172.1 | -90.2 | 164.1 | 0 | 0 | 0 | 112.9 | | |
| 222 | K | 38.7 | Very low | 42 | Very low | 210 Ų | 210 | 160.1 Ų | 160.1 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | | | trans | -13.8 | 138.3 | 146.9 | -141.9 | 173.7 | -174.7 | -179.8 | 0 | 117.3 | | |
| 223 | G | 39.9 | Very low | 42.4 | Very low | 79 Ų | 79 | 154.8 Ų | 154.8 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | -176.2 | 95.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 224 | A | 38.5 | Very low | 42.4 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | | | trans | -80.8 | 149.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 225 | M | 50.3 | Low | 42.7 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -156.2 | 120.8 | 151.6 | -93.8 | -105.3 | 115.2 | 0 | 0 | 109.7 | | |
| 226 | D | 41.6 | Very low | 42.9 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | | | trans | -62.9 | 142.5 | 174.4 | -60.8 | -74.3 | 0 | 0 | 0 | 113.2 | | |
| 227 | K | 53 | Low | 42.1 | Very low | 212 Ų | 212 | 149.1 Ų | 149.1 | 92% | 0.922 | 82% | 0.824 | S | S | * | * | | | trans | -141.9 | 113.9 | 141.9 | -78.5 | -163.6 | 178.8 | 173.9 | 0 | 110.8 | | |
| 228 | K | 40.9 | Very low | 42.3 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | trans | -87.7 | 131.6 | 173.8 | -172 | 179.6 | -176.4 | -173.1 | 0 | 108.4 | D230 | K228-D230 VanDerWaalsContact CE-OD1 3.31Å; K228-D230 WeakPolarHBondContact CE-OD1 3.47Å; K228-D230 WeakPolarHBondContact CE-OD2 3.5Å |
| 229 | C | 43.7 | Very low | 41.5 | Very low | 134 Ų | 134 | 147 Ų | 147 | 91% | 0.905 | 82% | 0.816 | S | S | * | * | | | trans | -130.9 | 109 | 158.3 | -81.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 230 | D | 42.1 | Very low | 40.9 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | | | trans | -72.5 | 146.1 | 170.4 | -59.4 | -65 | 0 | 0 | 0 | 110.1 | K228 | K228-D230 VanDerWaalsContact CE-OD1 3.31Å; K228-D230 WeakPolarHBondContact CE-OD1 3.47Å; K228-D230 WeakPolarHBondContact CE-OD2 3.5Å |
| 231 | G | 40 | Very low | 40.6 | Very low | 81 Ų | 81 | 151 Ų | 151 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | -178 | 90.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 232 | E | 40 | Very low | 40.1 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -53.8 | 163.6 | -175.2 | -85.5 | -83.8 | 118.8 | 0 | 0 | 117.2 | | |
| 233 | P | 41.5 | Very low | 39.6 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | | | trans | -97.4 | 162.6 | -168 | 38.7 | -30.1 | 0 | 0 | 0 | 113.4 | | |
| 234 | S | 37.6 | Very low | 39.4 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -150 | 141.3 | 157.9 | -157.9 | 0 | 0 | 0 | 0 | 112 | | |
| 235 | P | 43.5 | Very low | 39.2 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 68% | 0.682 | 82% | 0.821 | S | S | * | * | | | trans | -102.8 | 138.5 | -164.6 | 36.5 | -25.2 | 0 | 0 | 0 | 111.9 | | |
| 236 | D | 40.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -144.3 | 101.3 | 160.9 | -82.4 | -46.8 | 0 | 0 | 0 | 109.9 | | |
| 237 | H | 33.9 | Very low | 38.2 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | trans | -66 | 140.9 | 156.5 | -99 | -67.8 | 0 | 0 | 0 | 108.7 | | |
| 238 | P | 41.6 | Very low | 37.8 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | | -133.8 | 125.9 | 126.4 | 26.9 | -11.1 | 0 | 0 | 0 | 112.8 | | |
| 239 | R | 34.3 | Very low | 37.7 | Very low | 226 Ų | 226 | 143.5 Ų | 143.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | 50.2 | 117 | 132.1 | -72.3 | -175 | 164.6 | -178.1 | -4.2 | 119.3 | Q241 | R239-Q241 PolarHBondContact O-N 2.96Å; R239-Q241 VanDerWaalsContact O-N 3.09Å |
| 240 | L | 31.4 | Very low | 37.6 | Very low | 187 Ų | 187 | 143 Ų | 143 | 98% | 0.979 | 80% | 0.795 | S | S | * | * | | | trans | -23 | 106.4 | 140.8 | -70 | 162.8 | 0 | 0 | 0 | 112.2 | | |
| 241 | Q | 34.9 | Very low | 37.5 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -144.7 | 109 | 163.5 | -152.4 | 165.4 | 11.1 | 0 | 0 | 109.2 | R239 | R239-Q241 PolarHBondContact O-N 2.96Å; R239-Q241 VanDerWaalsContact O-N 3.09Å |
| 242 | E | 35.2 | Very low | 37.6 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | 31.8 | 105.8 | 153.8 | -74.8 | 164.4 | 132.6 | 0 | 0 | 117.9 | A244 | E242-A244 PolarHBondContact O-N 3.27Š|
| 243 | C | 28.4 | Very low | 38 | Very low | 137 Ų | 137 | 145 Ų | 145 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | -62 | 81.1 | 154.5 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | L245 | C243-L245 PolarHBondContact O-N 2.78Š|
| 244 | A | 34.3 | Very low | 38.6 | Very low | 89 Ų | 89 | 150 Ų | 150 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -75.9 | 108.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | E242 A246 | E242-A244 PolarHBondContact O-N 3.27Å; A244-A246 PolarHBondContact O-N 2.67Å |
| 245 | L | 34.7 | Very low | 39 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | | | trans | -49.8 | 101.8 | 169.4 | -85.8 | 150 | 0 | 0 | 0 | 110.2 | C243 T247 | C243-L245 PolarHBondContact O-N 2.78Å; L245-T247 PolarHBondContact O-N 3.03Å |
| 246 | A | 35.2 | Very low | 39.1 | Very low | 83 Ų | 83 | 151 Ų | 151 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | -74.2 | 109.2 | 162 | 0 | 0 | 0 | 0 | 0 | 107.9 | A244 H248 | A244-A246 PolarHBondContact O-N 2.67Å; A246-H248 PolarHBondContact O-N 2.95Å |
| 247 | T | 36.2 | Very low | 39.3 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -59.7 | 87.2 | 163.6 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | L245 E249 | L245-T247 PolarHBondContact O-N 3.03Å; T247-E249 PolarHBondContact O-N 2.74Å |
| 248 | H | 45.5 | Very low | 39.6 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -86.5 | 101.1 | 170.2 | -133.6 | -83.4 | 0 | 0 | 0 | 108.2 | A246 L250 | A246-H248 PolarHBondContact O-N 2.95Å; H248-L250 PolarHBondContact O-N 3.12Å; H248-L250 VanDerWaalsContact O-N 3.07Å |
| 249 | E | 37.7 | Very low | 39.7 | Very low | 160 Ų | 160 | 151 Ų | 151 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -46.1 | 109.6 | 164.2 | -72.1 | -94.5 | 124.6 | 0 | 0 | 109.3 | T247 K251 | T247-E249 PolarHBondContact O-N 2.74Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.15Å |
| 250 | L | 40.9 | Very low | 40 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | | | trans | -78.6 | 83.7 | -176 | -136.8 | 102 | 0 | 0 | 0 | 109.7 | H248 D252 F256 | H248-L250 PolarHBondContact O-N 3.12Å; H248-L250 VanDerWaalsContact O-N 3.07Å; L250-D252 VanDerWaalsContact C-N 3.27Å; L250-D252 PolarHBondContact O-N 3.35Å; L250-D252 VanDerWaalsContact O-N 3.16Å; L250-F256 HydrophobicContact CD2-CD2 4.17Å; L250-F256 HydrophobicContact CD2-CE2 3.91Å |
| 251 | K | 41.6 | Very low | 40.8 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | | | trans | -78.9 | 74.2 | 164.1 | -89.1 | 161.6 | 174.9 | 162.1 | 0 | 109.6 | E249 | E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.15Å |
| 252 | D | 41.2 | Very low | 41.3 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 52% | 0.519 | 73% | 0.73 | S | S | . | * | | | trans | 171.6 | 119.4 | 140.9 | -115.6 | -44.5 | 0 | 0 | 0 | 110.1 | L250 R254 | L250-D252 VanDerWaalsContact C-N 3.27Å; L250-D252 PolarHBondContact O-N 3.35Å; L250-D252 VanDerWaalsContact O-N 3.16Å; D252-R254 PolarHBondContact O-N 3.1Å; D252-R254 VanDerWaalsContact O-N 3.14Å |
| 253 | L | 49.4 | Very low | 41.6 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 8.1 | 177.7 | -91.5 | 111.3 | 0 | 0 | 0 | 113.7 | | |
| 254 | R | 53.3 | Low | 42.5 | Very low | 212 Ų | 212 | 136.4 Ų | 136.4 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -13.9 | -179.4 | -63.2 | -171 | -150.3 | -153.8 | 4.1 | 114.3 | D252 F256 | D252-R254 PolarHBondContact O-N 3.1Å; D252-R254 VanDerWaalsContact O-N 3.14Å; R254-F256 VanDerWaalsContact C-N 3.35Å |
| 255 | D | 45.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -88.3 | -2.5 | 179.3 | -67.3 | -31 | 0 | 0 | 0 | 113.6 | H257 | D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-N 3.4Å |
| 256 | F | 45.3 | Very low | 44.3 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 52% | 0.518 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -76.1 | -9.1 | -179.4 | -110.1 | -87.1 | 0 | 0 | 0 | 115 | L250 R254 W259 | L250-F256 HydrophobicContact CD2-CD2 4.17Å; L250-F256 HydrophobicContact CD2-CE2 3.91Å; R254-F256 VanDerWaalsContact C-N 3.35Å; F256-W259 HydrophobicContact CD1-CZ2 4.49Å; F256-W259 AromaticContact CD1-NE1 3.57Å; F256-W259 AromaticContact CE1-CE2 3.92Å; F256-W259 AromaticContact CE1-CZ2 3.78Å; F256-W259 HydrophobicContact CE1-CZ2 3.78Å; F256-W259 AromaticContact CE1-NE1 3.72Å; F256-W259 HydrophobicContact CZ-CZ2 4.2Å; F256-W259 VanDerWaalsContact O-CD1 3.26Å |
| 257 | H | 44.6 | Very low | 45.3 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -91.9 | 2.4 | 177.5 | -84.4 | -72.8 | 0 | 0 | 0 | 114.5 | D255 | D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-N 3.4Å |
| 258 | A | 41 | Very low | 46 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | | | trans | -104.9 | 38.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S260 | A258-S260 PolarHBondContact O-N 3.31Š|
| 259 | W | 42.9 | Very low | 46.7 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | | | trans | -79.6 | 74.1 | 170.6 | -76.4 | 57.4 | 0 | 0 | 0 | 110 | F256 | F256-W259 HydrophobicContact CD1-CZ2 4.49Å; F256-W259 AromaticContact CD1-NE1 3.57Å; F256-W259 AromaticContact CE1-CE2 3.92Å; F256-W259 AromaticContact CE1-CZ2 3.78Å; F256-W259 HydrophobicContact CE1-CZ2 3.78Å; F256-W259 AromaticContact CE1-NE1 3.72Å; F256-W259 HydrophobicContact CZ-CZ2 4.2Å; F256-W259 VanDerWaalsContact O-CD1 3.26Å |
| 260 | S | 40.1 | Very low | 47.7 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 48% | 0.483 | 68% | 0.68 | S | S | . | * | | | trans | -68.6 | 122.2 | 155.6 | 168.8 | 0 | 0 | 0 | 0 | 107.1 | A258 L262 | A258-S260 PolarHBondContact O-N 3.31Å; S260-L262 PolarHBondContact O-N 3.23Å |
| 261 | P | 48.2 | Very low | 48.9 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 67% | 0.669 | S | S | * | * | | | trans | -66.3 | 100.2 | 174.7 | 26.2 | -29.4 | 0 | 0 | 0 | 108 | | |
| 262 | L | 45.6 | Very low | 50.3 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 64% | 0.639 | 65% | 0.654 | S | S | * | * | | | trans | -57.2 | 130.6 | 165.4 | -80 | 144.9 | 0 | 0 | 0 | 107.5 | S260 N264 T265 | S260-L262 PolarHBondContact O-N 3.23Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-T265 HydrophobicContact CB-CG2 3.96Å |
| 263 | P | 41.4 | Very low | 51.8 | Low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 133.4 | 170.7 | 29.1 | -30.1 | 0 | 0 | 0 | 107 | | |
| 264 | N | 47.6 | Very low | 53 | Low | 159 Ų | 159 | 118.4 Ų | 118.4 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | 20.1 | -179.8 | -50.3 | -25.7 | 0 | 0 | 0 | 118.1 | L262 | L262-N264 PolarHBondContact O-N 3.49Š|
| 265 | T | 52.4 | Low | 53.8 | Low | 64 Ų | 64 | 111.3 Ų | 111.3 | 39% | 0.393 | 65% | 0.651 | S | S | . | * | | | trans | -76.5 | 141.6 | 169.8 | 60.7 | 0 | 0 | 0 | 0 | 111.8 | L262 L267 M268 | L262-T265 HydrophobicContact CB-CG2 3.96Å; T265-L267 PolarHBondContact O-N 3.43Å; T265-M268 PolarHBondContact O-N 2.83Å; T265-M268 VanDerWaalsContact O-N 3.12Å |
| 266 | T | 55.5 | Low | 54.7 | Low | 123 Ų | 123 | 109.7 Ų | 109.7 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -47.2 | -13.6 | -171.7 | -39 | 0 | 0 | 0 | 0 | 116.1 | M268 A269 | T266-M268 PolarHBondContact O-N 2.86Å; T266-A269 PolarHBondContact O-N 3.05Å |
| 267 | L | 54.5 | Low | 55.5 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -64.9 | -21.9 | 174 | -68.9 | 173 | 0 | 0 | 0 | 113.7 | T265 A269 | T265-L267 PolarHBondContact O-N 3.43Å; L267-A269 VanDerWaalsContact C-N 3.28Å; L267-A269 PolarHBondContact O-N 2.92Å |
| 268 | M | 52.5 | Low | 56.4 | Low | 115 Ų | 115 | 111.4 Ų | 111.4 | 57% | 0.567 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -75.8 | -13.2 | 177.1 | -64.6 | -64 | 100.8 | 0 | 0 | 113.9 | T265 T266 F281 | T265-M268 PolarHBondContact O-N 2.83Å; T265-M268 VanDerWaalsContact O-N 3.12Å; T266-M268 PolarHBondContact O-N 2.86Å; M268-F281 HydrophobicContact CE-CZ 4.1Å |
| 269 | A | 60 | Low | 57.6 | Low | 86 Ų | 86 | 112.7 Ų | 112.7 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -88.8 | -5.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T266 L267 | T266-A269 PolarHBondContact O-N 3.05Å; L267-A269 VanDerWaalsContact C-N 3.28Å; L267-A269 PolarHBondContact O-N 2.92Å |
| 270 | C | 59.2 | Low | 58.4 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -98.1 | 9.3 | -175.2 | -59.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 271 | L | 66.1 | Low | 59.4 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 41% | 0.408 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -89.9 | 126.8 | 178.2 | -69.4 | 174.3 | 0 | 0 | 0 | 111.2 | | |
| 272 | P | 69.9 | Low | 60.4 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 51% | 0.506 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -51 | 145.2 | 172.5 | -27.1 | 30.3 | 0 | 0 | 0 | 113.1 | G274 I275 | P272-G274 PolarHBondContact O-N 3.43Å; P272-I275 HydrophobicContact CB-CD1 4.11Å; P272-I275 HydrophobicContact CG-CD1 3.92Å |
| 273 | P | 73.5 | Confident | 61.2 | Low | 140 Ų | 140 | 107.6 Ų | 107.6 | 91% | 0.909 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 128.2 | 169.9 | -18.9 | 29.7 | 0 | 0 | 0 | 110.3 | | |
| 274 | G | 74.2 | Confident | 62.3 | Low | 84 Ų | 84 | 107.2 Ų | 107.2 | 87% | 0.866 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.8 | -1.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | P272 | P272-G274 PolarHBondContact O-N 3.43Š|
| 275 | I | 69.2 | Low | 62.9 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 32% | 0.318 | 60% | 0.6 | S | S | . | * | | | trans | -85.9 | 118 | 174.5 | -60.2 | 177.4 | 0 | 0 | 0 | 110 | P272 R277 F280 | P272-I275 HydrophobicContact CB-CD1 4.11Å; P272-I275 HydrophobicContact CG-CD1 3.92Å; I275-R277 PolarHBondContact O-N 2.92Å; I275-F280 HydrophobicContact CG2-CD2 3.64Å; I275-F280 HydrophobicContact CG2-CE2 3.66Å |
| 276 | D | 65.7 | Low | 63.1 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | | | trans | -66.4 | 115.4 | 173 | -172 | -4.5 | 0 | 0 | 0 | 109.8 | K278 V279 | D276-K278 PolarHBondContact O-N 3.06Å; D276-K278 WeakPolarHBondContact OD1-CB 3.44Å; D276-K278 WeakPolarHBondContact OD1-CG 3.48Å; D276-K278 PolarHBondContact OD1-N 2.93Å; D276-V279 HydrophobicContact CB-CG2 4.14Å; D276-V279 PolarHBondContact O-N 3.34Å |
| 277 | R | 62.2 | Low | 63 | Low | 197 Ų | 197 | 107.6 Ų | 107.6 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -13.3 | 177.9 | -61 | 175.7 | -178.4 | 151.9 | -0.3 | 112.6 | I275 | I275-R277 PolarHBondContact O-N 2.92Š|
| 278 | K | 63.3 | Low | 62.5 | Low | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -18.2 | 177.7 | -64.7 | 176.5 | -177.5 | 177.9 | 0 | 114.6 | D276 W286 | D276-K278 PolarHBondContact O-N 3.06Å; D276-K278 WeakPolarHBondContact OD1-CB 3.44Å; D276-K278 WeakPolarHBondContact OD1-CG 3.48Å; D276-K278 PolarHBondContact OD1-N 2.93Å; K278-W286 HydrophobicContact CB-CH2 4Å; K278-W286 HydrophobicContact CB-CZ2 4.16Å; K278-W286 HydrophobicContact CG-CH2 3.97Å; K278-W286 HydrophobicContact CG-CZ2 4.18Å |
| 279 | V | 65.6 | Low | 62 | Low | 112 Ų | 112 | 110.2 Ų | 110.2 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -22.9 | -173 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | D276 | D276-V279 HydrophobicContact CB-CG2 4.14Å; D276-V279 PolarHBondContact O-N 3.34Å |
| 280 | F | 60.8 | Low | 61.4 | Low | 137 Ų | 137 | 115 Ų | 115 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -103.3 | -7.9 | -169.8 | -86.3 | -84.9 | 0 | 0 | 0 | 116 | I275 | I275-F280 HydrophobicContact CG2-CD2 3.64Å; I275-F280 HydrophobicContact CG2-CE2 3.66Å |
| 281 | F | 60 | Low | 60.7 | Low | 81 Ų | 81 | 115.2 Ų | 115.2 | 36% | 0.355 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -125 | 129.2 | -176.8 | -67.5 | -79.3 | 0 | 0 | 0 | 111.6 | M268 A285 | M268-F281 HydrophobicContact CE-CZ 4.1Å; F281-A285 HydrophobicContact CB-CB 4.13Å; F281-A285 HydrophobicContact CD1-CB 4.36Å |
| 282 | P | 68.4 | Low | 59.7 | Low | 78 Ų | 78 | 115 Ų | 115 | 51% | 0.506 | 66% | 0.655 | S | S | . | * | | | trans | -59.6 | 148.9 | 172 | 25.4 | -32.4 | 0 | 0 | 0 | 109.6 | S284 A285 | P282-S284 PolarHBondContact O-N 3.01Å; P282-A285 PolarHBondContact O-N 3.03Å |
| 283 | P | 63.9 | Low | 58.4 | Low | 95 Ų | 95 | 116 Ų | 116 | 62% | 0.617 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -54 | -15.8 | -178.5 | -27 | 33.8 | 0 | 0 | 0 | 115.1 | A285 W286 | P283-A285 VanDerWaalsContact C-N 3.26Å; P283-A285 PolarHBondContact O-N 3.14Å; P283-W286 PolarHBondContact O-N 3.29Å |
| 284 | S | 62.8 | Low | 57.2 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -67.1 | -19.4 | 173.7 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | P282 | P282-S284 PolarHBondContact O-N 3.01Š|
| 285 | A | 60.2 | Low | 56 | Low | 61 Ų | 61 | 121.6 Ų | 121.6 | 50% | 0.504 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -89.6 | -2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F281 P282 P283 | F281-A285 HydrophobicContact CB-CB 4.13Å; F281-A285 HydrophobicContact CD1-CB 4.36Å; P282-A285 PolarHBondContact O-N 3.03Å; P283-A285 VanDerWaalsContact C-N 3.26Å; P283-A285 PolarHBondContact O-N 3.14Å |
| 286 | W | 57.2 | Low | 55.1 | Low | 132 Ų | 132 | 123.4 Ų | 123.4 | 50% | 0.5 | 69% | 0.685 | S | S | . | * | | | trans | -97 | 9.6 | -172.3 | -68.8 | -6.1 | 0 | 0 | 0 | 115.6 | K278 P283 | K278-W286 HydrophobicContact CB-CH2 4Å; K278-W286 HydrophobicContact CB-CZ2 4.16Å; K278-W286 HydrophobicContact CG-CH2 3.97Å; K278-W286 HydrophobicContact CG-CZ2 4.18Å; P283-W286 PolarHBondContact O-N 3.29Å |
| 287 | H | 54.2 | Low | 54.5 | Low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.745 | 70% | 0.702 | S | S | * | * | | | trans | -111.4 | 90.8 | -179 | -63.5 | 81.6 | 0 | 0 | 0 | 110 | R289 | H287-R289 PolarHBondContact O-N 3.4Š|
| 288 | G | 43.7 | Very low | 54.2 | Low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | | | trans | -52.2 | 130.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | E290 | G288-E290 PolarHBondContact O-N 3.4Š|
| 289 | R | 42.1 | Very low | 54 | Low | 226 Ų | 226 | 134.6 Ų | 134.6 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | | | trans | -63.1 | 97 | 178.5 | -87.7 | -154.4 | -93.8 | -111.5 | 1.4 | 110.1 | H287 | H287-R289 PolarHBondContact O-N 3.4Š|
| 290 | E | 46.9 | Very low | 53.8 | Low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | -103.8 | 98 | 152.3 | -60.3 | -159.9 | -150.6 | 0 | 0 | 107.5 | G288 G292 | G288-E290 PolarHBondContact O-N 3.4Å; E290-G292 PolarHBondContact O-N 3.32Å |
| 291 | A | 45.4 | Very low | 53.8 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 90% | 0.901 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 112.5 | 171 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 292 | G | 44.5 | Very low | 54.2 | Low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.7 | -9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | E290 T294 | E290-G292 PolarHBondContact O-N 3.32Å; G292-T294 PolarHBondContact O-N 2.85Å; G292-T294 VanDerWaalsContact O-N 3.12Å |
| 293 | A | 43.6 | Very low | 53.7 | Low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -85.2 | 96.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 294 | T | 47.7 | Very low | 53.4 | Low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | trans | -24.9 | 130.1 | 166.9 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | G292 S296 | G292-T294 PolarHBondContact O-N 2.85Å; G292-T294 VanDerWaalsContact O-N 3.12Å; T294-S296 PolarHBondContact O-N 2.99Å |
| 295 | K | 49.3 | Very low | 53.3 | Low | 220 Ų | 220 | 138 Ų | 138 | 96% | 0.957 | 73% | 0.733 | S | S | * | * | | | trans | -55.5 | 80.4 | 167.5 | -64.7 | 173.7 | 178.1 | 176.5 | 0 | 110.7 | | |
| 296 | S | 49.4 | Very low | 53.5 | Low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | -83.2 | 122.5 | 169.6 | 65.3 | 0 | 0 | 0 | 0 | 108.6 | T294 R298 | T294-S296 PolarHBondContact O-N 2.99Å; S296-R298 PolarHBondContact O-N 3.2Å |
| 297 | K | 52.9 | Low | 53.9 | Low | 190 Ų | 190 | 146.7 Ų | 146.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -39.2 | 109.9 | 172.3 | -89.4 | 166.3 | 165.2 | 166.9 | 0 | 110.2 | R299 | K297-R299 PolarHBondContact O-N 2.97Š|
| 298 | R | 57 | Low | 54.4 | Low | 253 Ų | 253 | 148.6 Ų | 148.6 | 96% | 0.955 | 76% | 0.758 | S | S | * | * | | | trans | -65.1 | 78.9 | 158.6 | -77.4 | -174.2 | 170.4 | -170.8 | -2.2 | 107.6 | S296 S300 | S296-R298 PolarHBondContact O-N 3.2Å; R298-S300 PolarHBondContact O-N 2.84Å |
| 299 | R | 58.6 | Low | 55.7 | Low | 220 Ų | 220 | 150.9 Ų | 150.9 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | trans | -54.7 | 126.8 | 163.2 | -78.4 | -177.5 | 172.5 | -172.5 | -1.7 | 106.1 | K297 N301 | K297-R299 PolarHBondContact O-N 2.97Å; R299-N301 PolarHBondContact O-N 3.28Å |
| 300 | S | 61.8 | Low | 56.8 | Low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -48.8 | 129.2 | 171.2 | 55.8 | 0 | 0 | 0 | 0 | 108.3 | R298 P302 | R298-S300 PolarHBondContact O-N 2.84Å; S300-P302 WeakPolarHBondContact O-CD 3.34Å |
| 301 | N | 60.9 | Low | 57 | Low | 82 Ų | 82 | 147.4 Ų | 147.4 | 44% | 0.439 | 74% | 0.744 | S | S | . | * | | | trans | -88.4 | 100.1 | 173.5 | -177.9 | -7.4 | 0 | 0 | 0 | 107.1 | R299 E303 L304 | R299-N301 PolarHBondContact O-N 3.28Å; N301-E303 PolarHBondContact O-N 3.16Å; N301-E303 WeakPolarHBondContact OD1-CB 3.31Å; N301-E303 PolarHBondContact OD1-N 3.37Å; N301-L304 HydrophobicContact CB-CB 4.5Å; N301-L304 HydrophobicContact CB-CD1 4.11Å; N301-L304 WeakPolarHBondContact ND2-CD1 3.33Å; N301-L304 PolarHBondContact O-N 2.96Å |
| 302 | P | 67.6 | Low | 57.6 | Low | 97 Ų | 97 | 147.7 Ų | 147.7 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -10.7 | 179.4 | 27.8 | -36.1 | 0 | 0 | 0 | 113.1 | S300 | S300-P302 WeakPolarHBondContact O-CD 3.34Š|
| 303 | E | 58.7 | Low | 58.1 | Low | 129 Ų | 129 | 151.1 Ų | 151.1 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -25.3 | 178.3 | -140.6 | -160.5 | -169.1 | 0 | 0 | 113.2 | N301 | N301-E303 PolarHBondContact O-N 3.16Å; N301-E303 WeakPolarHBondContact OD1-CB 3.31Å; N301-E303 PolarHBondContact OD1-N 3.37Å |
| 304 | L | 57.6 | Low | 58.2 | Low | 115 Ų | 115 | 155.5 Ų | 155.5 | 60% | 0.602 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -22.1 | 179.2 | -82 | 165.3 | 0 | 0 | 0 | 113.4 | N301 K306 | N301-L304 HydrophobicContact CB-CB 4.5Å; N301-L304 HydrophobicContact CB-CD1 4.11Å; N301-L304 WeakPolarHBondContact ND2-CD1 3.33Å; N301-L304 PolarHBondContact O-N 2.96Å; L304-K306 VanDerWaalsContact C-N 3.31Å |
| 305 | E | 60 | Low | 58.6 | Low | 146 Ų | 146 | 155.5 Ų | 155.5 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -72.2 | -25.8 | 175.2 | -150.9 | 80.6 | -142.8 | 0 | 0 | 111.9 | R307 | E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 2.77Å |
| 306 | K | 64.3 | Low | 58.6 | Low | 181 Ų | 181 | 148.1 Ų | 148.1 | 79% | 0.787 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -74.5 | -15 | -177.9 | -72.1 | -176.9 | 178.7 | 179.3 | 0 | 114.5 | L304 | L304-K306 VanDerWaalsContact C-N 3.31Š|
| 307 | R | 65 | Low | 58.3 | Low | 194 Ų | 194 | 150.4 Ų | 150.4 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -97.5 | 7 | -178.2 | -63.3 | -170.9 | -173.6 | -157.7 | 2.5 | 114.5 | E305 | E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 2.77Å |
| 308 | R | 64.9 | Low | 57.6 | Low | 200 Ų | 200 | 148.4 Ų | 148.4 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -104.7 | 4 | -172.1 | -82.4 | -175.5 | 162.9 | -146 | -5.7 | 116.1 | | |
| 309 | I | 71.7 | Confident | 57 | Low | 118 Ų | 118 | 144.5 Ų | 144.5 | 61% | 0.605 | 72% | 0.724 | S | S | * | * | | | trans | -119 | 82.9 | -179.3 | -43.4 | 177.1 | 0 | 0 | 0 | 109.1 | F311 | I309-F311 HydrophobicContact CB-CE2 4.38Å; I309-F311 HydrophobicContact CG2-CD2 3.85Å; I309-F311 HydrophobicContact CG2-CE1 4.22Å; I309-F311 HydrophobicContact CG2-CE2 3.44Å; I309-F311 VanDerWaalsContact CG2-CE2 3.44Å; I309-F311 HydrophobicContact CG2-CG 4.4Å; I309-F311 HydrophobicContact CG2-CZ 3.65Å |
| 310 | H | 64.8 | Low | 56.2 | Low | 178 Ų | 178 | 145.8 Ų | 145.8 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | | | trans | -82.7 | 108.2 | 158.1 | -75.1 | -82.3 | 0 | 0 | 0 | 107.1 | C312 | H310-C312 PolarHBondContact O-N 3.12Š|
| 311 | F | 51.5 | Low | 55.5 | Low | 161 Ų | 161 | 146.4 Ų | 146.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | -66.9 | 113.2 | 167 | -70.2 | -87.3 | 0 | 0 | 0 | 107.6 | I309 D313 | I309-F311 HydrophobicContact CB-CE2 4.38Å; I309-F311 HydrophobicContact CG2-CD2 3.85Å; I309-F311 HydrophobicContact CG2-CE1 4.22Å; I309-F311 HydrophobicContact CG2-CE2 3.44Å; I309-F311 VanDerWaalsContact CG2-CE2 3.44Å; I309-F311 HydrophobicContact CG2-CG 4.4Å; I309-F311 HydrophobicContact CG2-CZ 3.65Å; F311-D313 VanDerWaalsContact C-N 3.33Å; F311-D313 PolarHBondContact O-N 3.07Å |
| 312 | C | 58.5 | Low | 54.6 | Low | 115 Ų | 115 | 151.5 Ų | 151.5 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | | | trans | -79.7 | 90.8 | 165.5 | -165.2 | 0 | 0 | 0 | 0 | 106.4 | H310 Y314 | H310-C312 PolarHBondContact O-N 3.12Å; C312-Y314 PolarHBondContact O-N 3.31Å |
| 313 | D | 54.3 | Low | 53.5 | Low | 144 Ų | 144 | 156.3 Ų | 156.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | -75.7 | 77.9 | 171.7 | -71.3 | -32.9 | 0 | 0 | 0 | 108.6 | F311 P315 | F311-D313 VanDerWaalsContact C-N 3.33Å; F311-D313 PolarHBondContact O-N 3.07Å; D313-P315 WeakPolarHBondContact O-CD 3.34Å |
| 314 | Y | 44.9 | Very low | 52.8 | Low | 192 Ų | 192 | 157.7 Ų | 157.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -87.4 | 114.1 | 167.9 | -149.4 | -89.3 | 0 | 0 | 0 | 108.2 | C312 G316 | C312-Y314 PolarHBondContact O-N 3.31Å; Y314-G316 PolarHBondContact O-N 3.38Å |
| 315 | P | 56 | Low | 52 | Low | 122 Ų | 122 | 161.2 Ų | 161.2 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 103.3 | 176.6 | 28.7 | -31.4 | 0 | 0 | 0 | 108.1 | D313 | D313-P315 WeakPolarHBondContact O-CD 3.34Š|
| 316 | G | 49.8 | Very low | 51.4 | Low | 65 Ų | 65 | 159.9 Ų | 159.9 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.9 | -1.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | Y314 | Y314-G316 PolarHBondContact O-N 3.38Š|
| 317 | N | 42.9 | Very low | 50 | Low | 147 Ų | 147 | 156.8 Ų | 156.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -142.1 | 95.3 | 174.4 | -94.8 | -32.4 | 0 | 0 | 0 | 112.3 | Q319 | N317-Q319 PolarHBondContact O-N 3.45Š|
| 318 | T | 39.3 | Very low | 49 | Very low | 149 Ų | 149 | 156 Ų | 156 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | -78.1 | 59.3 | 172 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 319 | Q | 45 | Very low | 47.7 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -137.3 | 122.3 | 163.7 | -72.6 | -168.7 | 12.4 | 0 | 0 | 110.8 | N317 I321 | N317-Q319 PolarHBondContact O-N 3.45Å; Q319-I321 PolarHBondContact O-N 3.27Å |
| 320 | R | 39.8 | Very low | 46 | Very low | 247 Ų | 247 | 152.2 Ų | 152.2 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -54.7 | 105.9 | -179.6 | -70.1 | 177 | 178.9 | -178.5 | 0.5 | 110.8 | | |
| 321 | I | 48.9 | Very low | 44.7 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | | | trans | -111.8 | 89.4 | 162.3 | -59.9 | 179.8 | 0 | 0 | 0 | 107.5 | Q319 R323 | Q319-I321 PolarHBondContact O-N 3.27Å; I321-R323 HydrophobicContact CG2-CB 3.93Å; I321-R323 HydrophobicContact CG2-CG 3.47Å; I321-R323 VanDerWaalsContact CG2-CG 3.47Å; I321-R323 PolarHBondContact O-N 2.86Å |
| 322 | Q | 40.9 | Very low | 44.3 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -73.1 | 83 | 158.5 | -74.5 | -177 | -22.1 | 0 | 0 | 107.4 | L324 | Q322-L324 PolarHBondContact O-N 3.29Š|
| 323 | R | 45.7 | Very low | 43.4 | Very low | 198 Ų | 198 | 151 Ų | 151 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | | | trans | -84.5 | 103.7 | 170 | -99.8 | 173.4 | -171 | -175.2 | 3.4 | 108.7 | I321 F325 | I321-R323 HydrophobicContact CG2-CB 3.93Å; I321-R323 HydrophobicContact CG2-CG 3.47Å; I321-R323 VanDerWaalsContact CG2-CG 3.47Å; I321-R323 PolarHBondContact O-N 2.86Å; R323-F325 PolarHBondContact O-N 3.3Å; R323-F325 VanDerWaalsContact O-N 3.14Å |
| 324 | L | 42.7 | Very low | 42.5 | Very low | 157 Ų | 157 | 155 Ų | 155 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -51.9 | 112.2 | 159.5 | -84.4 | 119.2 | 0 | 0 | 0 | 108.8 | Q322 V326 | Q322-L324 PolarHBondContact O-N 3.29Å; L324-V326 VanDerWaalsContact C-N 3.27Å; L324-V326 PolarHBondContact O-N 2.95Å |
| 325 | F | 42 | Very low | 42.6 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -72.4 | 85.9 | 166.6 | -101 | -96.5 | 0 | 0 | 0 | 108.8 | R323 | R323-F325 PolarHBondContact O-N 3.3Å; R323-F325 VanDerWaalsContact O-N 3.14Å |
| 326 | V | 46 | Very low | 41.7 | Very low | 119 Ų | 119 | 161.2 Ų | 161.2 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | | | trans | -89.3 | 129 | 151.9 | 177.6 | 0 | 0 | 0 | 0 | 106.1 | L324 Q328 | L324-V326 VanDerWaalsContact C-N 3.27Å; L324-V326 PolarHBondContact O-N 2.95Å; V326-Q328 PolarHBondContact O-N 3.37Å |
| 327 | S | 36.2 | Very low | 41.3 | Very low | 116 Ų | 116 | 166.1 Ų | 166.1 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -42.7 | 102.2 | -178 | -169.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 328 | Q | 42.1 | Very low | 41.2 | Very low | 176 Ų | 176 | 167.1 Ų | 167.1 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | trans | -147 | 118.8 | 158.9 | -142.1 | 158.3 | 9.1 | 0 | 0 | 108 | V326 C330 | V326-Q328 PolarHBondContact O-N 3.37Å; Q328-C330 PolarHBondContact O-N 2.8Å |
| 329 | V | 38.5 | Very low | 41.3 | Very low | 120 Ų | 120 | 168.1 Ų | 168.1 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | -53.9 | 103.5 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | Y331 | V329-Y331 VanDerWaalsContact C-N 3.32Å; V329-Y331 HydrophobicContact CG1-CD2 3.6Å; V329-Y331 HydrophobicContact CG1-CE2 4.35Å; V329-Y331 PolarHBondContact O-N 3.24Å; V329-Y331 VanDerWaalsContact O-N 3.1Å |
| 330 | C | 36.4 | Very low | 41.1 | Very low | 120 Ų | 120 | 167.9 Ų | 167.9 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | | | trans | -79.9 | 83 | 167.2 | -87.2 | 0 | 0 | 0 | 0 | 109.3 | Q328 A332 | Q328-C330 PolarHBondContact O-N 2.8Å; C330-A332 VanDerWaalsContact C-N 3.27Å; C330-A332 PolarHBondContact O-N 3.09Å; C330-A332 VanDerWaalsContact O-N 3.15Å |
| 331 | Y | 37.3 | Very low | 41.2 | Very low | 208 Ų | 208 | 163 Ų | 163 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | | | trans | -74.9 | 81.4 | 157.7 | -113.9 | -100.6 | 0 | 0 | 0 | 107.9 | V329 | V329-Y331 VanDerWaalsContact C-N 3.32Å; V329-Y331 HydrophobicContact CG1-CD2 3.6Å; V329-Y331 HydrophobicContact CG1-CE2 4.35Å; V329-Y331 PolarHBondContact O-N 3.24Å; V329-Y331 VanDerWaalsContact O-N 3.1Å |
| 332 | A | 43.1 | Very low | 40.7 | Very low | 85 Ų | 85 | 165.7 Ų | 165.7 | 70% | 0.702 | 83% | 0.834 | S | S | * | * | | | trans | -153.2 | 17.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | C330 | C330-A332 VanDerWaalsContact C-N 3.27Å; C330-A332 PolarHBondContact O-N 3.09Å; C330-A332 VanDerWaalsContact O-N 3.15Å |
| 333 | C | 39.1 | Very low | 40.7 | Very low | 134 Ų | 134 | 164 Ų | 164 | 91% | 0.905 | 83% | 0.83 | S | S | * | * | | | trans | -123.8 | 75.7 | 170.2 | -70.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 334 | R | 37 | Very low | 40.3 | Very low | 230 Ų | 230 | 161.4 Ų | 161.4 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | | | trans | -130.7 | 76 | 165.3 | -151.6 | 175.8 | -167.7 | 172.2 | 2.8 | 107.1 | | |
| 335 | V | 46.3 | Very low | 40.1 | Very low | 141 Ų | 141 | 161.8 Ų | 161.8 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | | | trans | -119.6 | 104.8 | 164.9 | 179.3 | 0 | 0 | 0 | 0 | 105 | | |
| 336 | Y | 36.9 | Very low | 39.9 | Very low | 303 Ų | 303 | 159.3 Ų | 159.3 | 100% | 1.188 | 84% | 0.839 | S | S | * | * | | | trans | -125.9 | 0 | 157.5 | -100.9 | -74.8 | 0 | 0 | 0 | 106.2 | | |