| 1 | M | 37 | Very low | 40.4 | Very low | 238 Ų | 238 | 147.5 Ų | 147.5 | 100% | 1.172 | 77% | 0.766 | S | S | * | * | | | | 0 | 108.5 | 0 | -66 | -60.3 | -168.8 | 0 | 0 | 108 | | |
| 2 | P | 37.8 | Very low | 40.6 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | trans | -93.6 | 160.2 | 173.3 | 35.7 | -29.3 | 0 | 0 | 0 | 112.8 | | |
| 3 | Y | 35.9 | Very low | 40.7 | Very low | 220 Ų | 220 | 152.4 Ų | 152.4 | 86% | 0.863 | 77% | 0.773 | S | S | * | * | | | trans | 75.6 | 135 | 172.3 | -50.3 | -76.7 | 0 | 0 | 0 | 116 | | |
| 4 | E | 37.2 | Very low | 40.7 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | cis | -137.1 | 134.5 | 28.9 | -76 | 178.3 | 124.3 | 0 | 0 | 113.2 | | |
| 5 | V | 40.7 | Very low | 41.1 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -85.9 | 98.1 | 154.3 | 175.4 | 0 | 0 | 0 | 0 | 106.2 | N7 | V5-N7 HydrophobicContact CG1-CB 4.35Å; V5-N7 PolarHBondContact O-N 3.03Å |
| 6 | T | 43.3 | Very low | 40.7 | Very low | 99 Ų | 99 | 151.8 Ų | 151.8 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | | | trans | -78.6 | 77.6 | 162.5 | 39.1 | 0 | 0 | 0 | 0 | 108.3 | Q8 | T6-Q8 PolarHBondContact O-N 2.83Š|
| 7 | N | 39.7 | Very low | 40.5 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -58.5 | 95 | 152.9 | -91.5 | -43.4 | 0 | 0 | 0 | 106.5 | V5 P9 | V5-N7 HydrophobicContact CG1-CB 4.35Å; V5-N7 PolarHBondContact O-N 3.03Å; N7-P9 WeakPolarHBondContact O-CD 3.4Å |
| 8 | Q | 39.2 | Very low | 40.5 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | | | trans | -96.5 | 86.2 | 165 | -70.9 | -169.9 | 0.8 | 0 | 0 | 109 | T6 L10 | T6-Q8 PolarHBondContact O-N 2.83Å; Q8-L10 PolarHBondContact O-N 3.5Å |
| 9 | P | 46.3 | Very low | 40.5 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -75.7 | 73 | 158.3 | 33.7 | -32 | 0 | 0 | 0 | 107.9 | N7 | N7-P9 WeakPolarHBondContact O-CD 3.4Š|
| 10 | L | 45.5 | Very low | 40.3 | Very low | 125 Ų | 125 | 146 Ų | 146 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | | | trans | -119.9 | -5 | -179.1 | -84.5 | 171.8 | 0 | 0 | 0 | 115.5 | Q8 | Q8-L10 PolarHBondContact O-N 3.5Š|
| 11 | L | 41.9 | Very low | 40.2 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -103.5 | -15.9 | -176.6 | -125.6 | 84.6 | 0 | 0 | 0 | 116.9 | | |
| 12 | L | 43.1 | Very low | 40.5 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -92.7 | -8.2 | -178.2 | -78.7 | 163.5 | 0 | 0 | 0 | 114.7 | Y14 | L12-Y14 PolarHBondContact O-N 3.23Š|
| 13 | Y | 41.3 | Very low | 40.8 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -73.4 | -12.6 | 169.7 | -96 | -83.8 | 0 | 0 | 0 | 113.5 | | |
| 14 | Y | 40.9 | Very low | 40.8 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -82.2 | -16.8 | -171.7 | -136.4 | -91.6 | 0 | 0 | 0 | 115.1 | L12 | L12-Y14 PolarHBondContact O-N 3.23Š|
| 15 | V | 46.2 | Very low | 40.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -19.1 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | N17 | V15-N17 PolarHBondContact O-N 2.74Š|
| 16 | H | 35.9 | Very low | 41.2 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.8 | 180 | -137.9 | -74.5 | 0 | 0 | 0 | 114.4 | S20 | H16-S20 PolarHBondContact O-OG 3.36Š|
| 17 | N | 36 | Very low | 41 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 3.6 | -177 | -96.6 | -1.7 | 0 | 0 | 0 | 116 | V15 | V15-N17 PolarHBondContact O-N 2.74Š|
| 18 | V | 41.3 | Very low | 41 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -101.3 | -12.8 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 19 | L | 39.9 | Very low | 41.2 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -115.3 | -3.5 | 178.1 | -85.1 | 132.6 | 0 | 0 | 0 | 114.8 | R21 | L19-R21 PolarHBondContact O-N 2.9Š|
| 20 | S | 36.7 | Very low | 41.1 | Very low | 76 Ų | 76 | 144 Ų | 144 | 53% | 0.531 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -93.5 | 69.8 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | H16 | H16-S20 PolarHBondContact O-OG 3.36Š|
| 21 | R | 38.4 | Very low | 40.9 | Very low | 227 Ų | 227 | 145.2 Ų | 145.2 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | 69.8 | 165 | 149.3 | -74.5 | -176.9 | 176.5 | -175.3 | -1.8 | 119.2 | L19 | L19-R21 PolarHBondContact O-N 2.9Š|
| 22 | P | 43.3 | Very low | 40.8 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | | | cis | -127.9 | 163.5 | 2 | 24.4 | -2.3 | 0 | 0 | 0 | 114.4 | G24 | P22-G24 PolarHBondContact O-N 2.97Š|
| 23 | D | 43.9 | Very low | 40.6 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | 10.4 | 53.8 | 135.2 | -56.6 | -48.4 | 0 | 0 | 0 | 118.1 | K25 | D23-K25 PolarHBondContact O-N 3.07Š|
| 24 | G | 37.1 | Very low | 40.5 | Very low | 64 Ų | 64 | 138.7 Ų | 138.7 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | | | trans | -82.2 | 61.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | P22 L26 | P22-G24 PolarHBondContact O-N 2.97Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 2.87Å |
| 25 | K | 36.5 | Very low | 40.5 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | 1.7 | 80.8 | 142.3 | -140.7 | 173 | -170.5 | 177 | 0 | 113.7 | D23 | D23-K25 PolarHBondContact O-N 3.07Š|
| 26 | L | 48.5 | Very low | 40.3 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | | | trans | -110.9 | 46.5 | 154.5 | -67.4 | 179 | 0 | 0 | 0 | 107.7 | G24 G28 | G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 2.87Å; L26-G28 PolarHBondContact O-N 3.03Å |
| 27 | D | 39.8 | Very low | 40.5 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | | | trans | -69.5 | 103.6 | 156.8 | -85.5 | -42.2 | 0 | 0 | 0 | 107.3 | | |
| 28 | G | 40.5 | Very low | 40.8 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | | | trans | 99.3 | 79.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L26 | L26-G28 PolarHBondContact O-N 3.03Š|
| 29 | M | 42.5 | Very low | 40.4 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | | -135 | 93.3 | 125.8 | -69.4 | -162.8 | 77.8 | 0 | 0 | 107.4 | N31 | M29-N31 PolarHBondContact O-N 2.81Š|
| 30 | I | 44.4 | Very low | 40.7 | Very low | 150 Ų | 150 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -49.2 | 125.5 | 168.7 | -64.2 | 153.3 | 0 | 0 | 0 | 107 | D32 | I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 2.82Å |
| 31 | N | 41.7 | Very low | 40.8 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -59.3 | 97.3 | 169.7 | -75.7 | -40.5 | 0 | 0 | 0 | 108.4 | M29 S33 | M29-N31 PolarHBondContact O-N 2.81Å; N31-S33 PolarHBondContact O-N 2.84Å |
| 32 | D | 38.9 | Very low | 41.1 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -64.8 | 94 | 155.8 | -80.2 | -28.3 | 0 | 0 | 0 | 107.3 | I30 | I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 2.82Å |
| 33 | S | 39.5 | Very low | 41.1 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | -22.5 | 138.7 | 156.6 | -50.5 | 0 | 0 | 0 | 0 | 114.5 | N31 | N31-S33 PolarHBondContact O-N 2.84Š|
| 34 | S | 39.5 | Very low | 40.9 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | 88.3 | 137.4 | 151.5 | 79.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 35 | S | 40.6 | Very low | 40.9 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | 82.2 | 85.6 | 165.3 | -172.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 36 | L | 42.7 | Very low | 40.8 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | | -163.3 | 71.1 | 119.9 | -98.1 | 152.3 | 0 | 0 | 0 | 108.2 | | |
| 37 | A | 40.1 | Very low | 40.2 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | | | trans | -64.8 | 141.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 38 | N | 41.6 | Very low | 40.1 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | 98.2 | 111.4 | 173 | -54.1 | -23 | 0 | 0 | 0 | 115.9 | | |
| 39 | G | 33.2 | Very low | 40 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 133.6 | 77.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 40 | A | 44.7 | Very low | 39.9 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -171.5 | 77 | 138.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | M42 | A40-M42 PolarHBondContact O-N 3.28Å; A40-M42 VanDerWaalsContact O-N 3.16Å |
| 41 | M | 40.4 | Very low | 39.6 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 98% | 0.975 | 81% | 0.806 | S | S | * | * | | | trans | -65.7 | 102.3 | 152.6 | -65.8 | -170.9 | 179.7 | 0 | 0 | 106.2 | | |
| 42 | M | 43.5 | Very low | 39.5 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | | | trans | -103.5 | 90.9 | 161.8 | -77.8 | -166.1 | 77.2 | 0 | 0 | 108.3 | A40 | A40-M42 PolarHBondContact O-N 3.28Å; A40-M42 VanDerWaalsContact O-N 3.16Å |
| 43 | E | 44.6 | Very low | 39.7 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -15.5 | 121.7 | 152.8 | -155.4 | 166.9 | -166.9 | 0 | 0 | 116.2 | | |
| 44 | S | 38.9 | Very low | 39.6 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 58% | 0.58 | 82% | 0.815 | S | S | * | * | | | trans | 37.6 | 110 | 139.8 | -157 | 0 | 0 | 0 | 0 | 119.8 | E46 | S44-E46 PolarHBondContact O-N 3.02Å; S44-E46 VanDerWaalsContact O-N 3.15Å |
| 45 | C | 37.4 | Very low | 39.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | | | trans | -72.5 | 88.7 | 160.8 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 46 | E | 33.3 | Very low | 39.8 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -122.9 | 113.4 | 161.9 | -70.2 | -176.2 | -167.8 | 0 | 0 | 109.4 | S44 | S44-E46 PolarHBondContact O-N 3.02Å; S44-E46 VanDerWaalsContact O-N 3.15Å |
| 47 | S | 36.7 | Very low | 39.7 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | | 171.4 | 110.2 | 114.8 | -161.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 48 | L | 38.2 | Very low | 39.9 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | | | trans | -63 | 152.7 | 161.4 | -75.8 | 155.4 | 0 | 0 | 0 | 109.5 | | |
| 49 | E | 38.8 | Very low | 39.9 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | 66.2 | 105.7 | 160.6 | -67.6 | 172 | 145.8 | 0 | 0 | 118.1 | | |
| 50 | S | 38.5 | Very low | 40.5 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | | -168 | 119.1 | 117.2 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 51 | T | 38.6 | Very low | 40.5 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | trans | 55.5 | 102 | 138.4 | 49.9 | 0 | 0 | 0 | 0 | 120.3 | S53 | T51-S53 PolarHBondContact O-N 2.84Š|
| 52 | L | 40.5 | Very low | 40.6 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | | 36 | 86 | 112.2 | -152 | 97 | 0 | 0 | 0 | 116.1 | | |
| 53 | S | 43.1 | Very low | 40.9 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -129.6 | 127.2 | 152.7 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | T51 L55 | T51-S53 PolarHBondContact O-N 2.84Å; S53-L55 PolarHBondContact O-N 3.11Å |
| 54 | K | 37.2 | Very low | 41.4 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | | | trans | -67 | 114.8 | -179.9 | -68.3 | 166.3 | 174.5 | 175.6 | 0 | 109.3 | | |
| 55 | L | 45.7 | Very low | 42.4 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -127.7 | 118.5 | 156.1 | -93.6 | 156.1 | 0 | 0 | 0 | 107.6 | S53 N57 | S53-L55 PolarHBondContact O-N 3.11Å; L55-N57 PolarHBondContact O-N 3.48Å |
| 56 | P | 37.7 | Very low | 43.7 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -69.1 | 102.7 | 179.5 | 27.3 | -31.8 | 0 | 0 | 0 | 109.4 | K58 | P56-K58 PolarHBondContact O-N 2.86Š|
| 57 | N | 41.5 | Very low | 45.2 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -72.4 | 93.6 | 168.9 | -159.8 | -14.3 | 0 | 0 | 0 | 107.8 | L55 | L55-N57 PolarHBondContact O-N 3.48Š|
| 58 | K | 42.9 | Very low | 46.9 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | trans | -80.4 | 119.8 | 170 | -98 | -168.9 | 171.9 | -169.5 | 0 | 109.4 | P56 | P56-K58 PolarHBondContact O-N 2.86Š|
| 59 | E | 43.3 | Very low | 48.3 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | 71.1 | 83.4 | 141.4 | -61.6 | 174.7 | -162.6 | 0 | 0 | 118.5 | | |
| 60 | R | 45.2 | Very low | 50 | Low | 245 Ų | 245 | 148.3 Ų | 148.3 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | | | | -130.6 | 86 | 129.9 | -86.5 | -169.6 | 179.1 | -174 | -0.4 | 109.1 | E62 | R60-E62 VanDerWaalsContact C-N 3.25Å; R60-E62 PolarHBondContact O-N 2.87Å; R60-E62 VanDerWaalsContact O-N 3.09Å |
| 61 | N | 43.9 | Very low | 51.6 | Low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | trans | -75.8 | 78 | 166.7 | -64.8 | -51.3 | 0 | 0 | 0 | 108.5 | | |
| 62 | E | 44 | Very low | 53.2 | Low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | -84.1 | 122.6 | 157.5 | -84.3 | -90.4 | 134.8 | 0 | 0 | 106.3 | R60 A64 | R60-E62 VanDerWaalsContact C-N 3.25Å; R60-E62 PolarHBondContact O-N 2.87Å; R60-E62 VanDerWaalsContact O-N 3.09Å; E62-A64 VanDerWaalsContact C-N 3.26Å; E62-A64 PolarHBondContact O-N 2.87Å |
| 63 | P | 48.2 | Very low | 54.6 | Low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | trans | -69.1 | 91.3 | 177.4 | 29.5 | -32.1 | 0 | 0 | 0 | 107.4 | G65 | P63-G65 PolarHBondContact O-N 2.92Š|
| 64 | A | 54.9 | Low | 55.7 | Low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -55.5 | 98.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | E62 H66 | E62-A64 VanDerWaalsContact C-N 3.26Å; E62-A64 PolarHBondContact O-N 2.87Å; A64-H66 PolarHBondContact O-N 3.08Å |
| 65 | G | 60.1 | Low | 56.9 | Low | 53 Ų | 53 | 145.7 Ų | 145.7 | 55% | 0.546 | 74% | 0.742 | S | S | . | * | | | trans | -47 | 112.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P63 F67 | P63-G65 PolarHBondContact O-N 2.92Å; G65-F67 PolarHBondContact O-N 3.1Å |
| 66 | H | 65.1 | Low | 57.6 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -64.8 | 90.6 | 177.4 | 179.7 | 74.5 | 0 | 0 | 0 | 107.2 | A64 D68 | A64-H66 PolarHBondContact O-N 3.08Å; H66-D68 VanDerWaalsContact C-N 3.26Å; H66-D68 PolarHBondContact O-N 3.17Å |
| 67 | F | 64.8 | Low | 58.7 | Low | 163 Ų | 163 | 143.8 Ų | 143.8 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | | | trans | -69.7 | 90.1 | 169.3 | -93.9 | -86.7 | 0 | 0 | 0 | 107.1 | G65 R69 F73 | G65-F67 PolarHBondContact O-N 3.1Å; F67-R69 PolarHBondContact O-N 3.12Å; F67-F73 HydrophobicContact CD1-CZ 4.25Å; F67-F73 AromaticContact CE1-CE1 3.98Å; F67-F73 HydrophobicContact CE1-CE1 3.98Å; F67-F73 AromaticContact CE1-CZ 3.83Å; F67-F73 HydrophobicContact CE1-CZ 3.83Å |
| 68 | D | 72.3 | Confident | 59.5 | Low | 44 Ų | 44 | 142.3 Ų | 142.3 | 24% | 0.235 | 74% | 0.736 | C | S | . | * | | | trans | -64.8 | 99.3 | 167.4 | -177 | -5.1 | 0 | 0 | 0 | 107.8 | H66 R70 K71 | H66-D68 VanDerWaalsContact C-N 3.26Å; H66-D68 PolarHBondContact O-N 3.17Å; D68-R70 PolarHBondContact O-N 2.9Å; D68-R70 WeakPolarHBondContact OD1-CB 3.29Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 3.04Å; D68-R70 IonicContact OD1-NE 3.88Å; D68-K71 HydrophobicContact CB-CD 4.17Å; D68-K71 HydrophobicContact CB-CG 4.08Å; D68-K71 PolarHBondContact O-N 2.9Å |
| 69 | R | 67.7 | Low | 60.3 | Low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -13.9 | 179.8 | -72.7 | -176.5 | 168.4 | 179.6 | -3.3 | 113.5 | F67 | F67-R69 PolarHBondContact O-N 3.12Š|
| 70 | R | 75.6 | Confident | 60.8 | Low | 219 Ų | 219 | 142.2 Ų | 142.2 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -16.4 | 175.7 | -48.8 | -172.1 | -42.8 | 168.8 | 15.8 | 112.7 | D68 S72 | D68-R70 PolarHBondContact O-N 2.9Å; D68-R70 WeakPolarHBondContact OD1-CB 3.29Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 3.04Å; D68-R70 IonicContact OD1-NE 3.88Å; R70-S72 PolarHBondContact O-N 2.8Å |
| 71 | K | 70.6 | Confident | 61.1 | Low | 155 Ų | 155 | 138 Ų | 138 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -82.1 | 96.9 | 173.5 | -67.3 | -174 | -177.4 | -174.2 | 0 | 108 | D68 F73 | D68-K71 HydrophobicContact CB-CD 4.17Å; D68-K71 HydrophobicContact CB-CG 4.08Å; D68-K71 PolarHBondContact O-N 2.9Å; K71-F73 PolarHBondContact O-N 2.97Å |
| 72 | S | 73.6 | Confident | 61.4 | Low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.9 | 170.2 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | R70 | R70-S72 PolarHBondContact O-N 2.8Š|
| 73 | F | 70.3 | Confident | 61.7 | Low | 155 Ų | 155 | 129.8 Ų | 129.8 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56 | 144.1 | 172.9 | -64.8 | -86.7 | 0 | 0 | 0 | 110.3 | F67 K71 S75 | F67-F73 HydrophobicContact CD1-CZ 4.25Å; F67-F73 AromaticContact CE1-CE1 3.98Å; F67-F73 HydrophobicContact CE1-CE1 3.98Å; F67-F73 AromaticContact CE1-CZ 3.83Å; F67-F73 HydrophobicContact CE1-CZ 3.83Å; K71-F73 PolarHBondContact O-N 2.97Å; F73-S75 PolarHBondContact O-N 2.95Å; F73-S75 VanDerWaalsContact O-N 3.14Å |
| 74 | P | 66.2 | Low | 62 | Low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125.3 | 171.9 | 23.1 | -31 | 0 | 0 | 0 | 108.4 | V76 | P74-V76 PolarHBondContact O-N 2.81Å; P74-V76 VanDerWaalsContact O-N 3.08Å |
| 75 | S | 61.9 | Low | 62.1 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 116.9 | -179.3 | -43.5 | 0 | 0 | 0 | 0 | 108.7 | F73 S77 | F73-S75 PolarHBondContact O-N 2.95Å; F73-S75 VanDerWaalsContact O-N 3.14Å; S75-S77 PolarHBondContact O-N 2.87Å |
| 76 | V | 60.6 | Low | 61.8 | Low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | | | trans | -63.2 | 111.7 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 107.1 | P74 T78 | P74-V76 PolarHBondContact O-N 2.81Å; P74-V76 VanDerWaalsContact O-N 3.08Å; V76-T78 PolarHBondContact O-N 2.96Å |
| 77 | S | 60.6 | Low | 61.3 | Low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | trans | -61 | 105.5 | 172.8 | 172.8 | 0 | 0 | 0 | 0 | 108.4 | S75 R79 | S75-S77 PolarHBondContact O-N 2.87Å; S77-R79 PolarHBondContact O-N 3.22Å |
| 78 | T | 57.3 | Low | 60.9 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | | | trans | -70 | 98.3 | 171.5 | 48.3 | 0 | 0 | 0 | 0 | 107.8 | V76 | V76-T78 PolarHBondContact O-N 2.96Š|
| 79 | R | 59.8 | Low | 59.8 | Low | 194 Ų | 194 | 139.3 Ų | 139.3 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | | | trans | -67.2 | 139.5 | 168.2 | -75.4 | -172.4 | 171.3 | -150.3 | -2.6 | 109.2 | S77 V81 | S77-R79 PolarHBondContact O-N 3.22Å; R79-V81 PolarHBondContact O-N 2.92Å |
| 80 | P | 54.2 | Low | 59.2 | Low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | | | trans | -62.6 | 132.5 | -178.7 | 24.2 | -32 | 0 | 0 | 0 | 110.7 | G82 | P80-G82 PolarHBondContact O-N 3.41Å; P80-G82 VanDerWaalsContact O-N 3.1Å |
| 81 | V | 51.8 | Low | 58.6 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 96% | 0.958 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 111.5 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | R79 | R79-V81 PolarHBondContact O-N 2.92Š|
| 82 | G | 49 | Very low | 58.1 | Low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.9 | -3.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P80 S84 | P80-G82 PolarHBondContact O-N 3.41Å; P80-G82 VanDerWaalsContact O-N 3.1Å; G82-S84 VanDerWaalsContact C-N 3.32Å; G82-S84 PolarHBondContact O-N 3.49Å |
| 83 | S | 50.7 | Low | 57 | Low | 74 Ų | 74 | 132.9 Ų | 132.9 | 52% | 0.517 | 73% | 0.732 | S | S | . | * | | | trans | -68.1 | 95 | 165.3 | 60 | 0 | 0 | 0 | 0 | 109 | | |
| 84 | S | 56 | Low | 55.9 | Low | 86 Ų | 86 | 130.4 Ų | 130.4 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | | | trans | -61 | 135.5 | 170.9 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | G82 V86 | G82-S84 VanDerWaalsContact C-N 3.32Å; G82-S84 PolarHBondContact O-N 3.49Å; S84-V86 PolarHBondContact O-N 3.06Å |
| 85 | W | 55.5 | Low | 55.4 | Low | 261 Ų | 261 | 133.2 Ų | 133.2 | 99% | 0.989 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -66.9 | 27.7 | 179.1 | -75 | 89.8 | 0 | 0 | 0 | 114.4 | | |
| 86 | V | 54.7 | Low | 55.2 | Low | 97 Ų | 97 | 134.2 Ų | 134.2 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -108.8 | 109.4 | -175.6 | -140.9 | 0 | 0 | 0 | 0 | 107.7 | S84 | S84-V86 PolarHBondContact O-N 3.06Š|
| 87 | D | 54.5 | Low | 54.7 | Low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | 75.8 | 45.8 | 156.3 | -52 | -25.9 | 0 | 0 | 0 | 119.3 | P89 | D87-P89 WeakPolarHBondContact O-CD 3.29Š|
| 88 | E | 56 | Low | 54.3 | Low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | | | trans | -87.4 | 103.1 | 136.1 | -160.9 | 169.9 | -165.2 | 0 | 0 | 106.2 | F90 | E88-F90 PolarHBondContact O-N 2.95Å; E88-F90 VanDerWaalsContact O-N 3.08Å |
| 89 | P | 50.5 | Low | 53.7 | Low | 82 Ų | 82 | 134.5 Ų | 134.5 | 53% | 0.532 | 72% | 0.715 | S | S | . | * | | | trans | -59.5 | 122.6 | 178.9 | 24.3 | -32 | 0 | 0 | 0 | 107.5 | D87 P91 | D87-P89 WeakPolarHBondContact O-CD 3.29Å; P89-P91 VanDerWaalsContact O-N 3.14Å |
| 90 | F | 53.5 | Low | 52.9 | Low | 157 Ų | 157 | 131.7 Ų | 131.7 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | | | trans | -50.7 | 126.3 | 168.2 | -92.8 | -92.4 | 0 | 0 | 0 | 107.4 | E88 F92 M93 | E88-F90 PolarHBondContact O-N 2.95Å; E88-F90 VanDerWaalsContact O-N 3.08Å; F90-F92 PolarHBondContact O-N 3.02Å; F90-M93 HydrophobicContact CB-CB 4.35Å; F90-M93 PolarHBondContact O-N 2.05Å |
| 91 | P | 63.9 | Low | 52.2 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -10 | -170.4 | 19 | -31.1 | 0 | 0 | 0 | 114.2 | P89 | P89-P91 VanDerWaalsContact O-N 3.14Š|
| 92 | F | 60.5 | Low | 51.7 | Low | 189 Ų | 189 | 132.3 Ų | 132.3 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 9.4 | -178.7 | -56 | -70.7 | 0 | 0 | 0 | 114.2 | F90 P94 | F90-F92 PolarHBondContact O-N 3.02Å; F92-P94 WeakPolarHBondContact O-CD 3.12Å |
| 93 | M | 49.3 | Very low | 51.2 | Low | 135 Ų | 135 | 138.5 Ų | 138.5 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -82.2 | 111.8 | 173.5 | -144.3 | 179.4 | 69.8 | 0 | 0 | 108.3 | F90 F95 | F90-M93 HydrophobicContact CB-CB 4.35Å; F90-M93 PolarHBondContact O-N 2.05Å; M93-F95 PolarHBondContact O-N 2.97Å |
| 94 | P | 47.8 | Very low | 50.9 | Low | 104 Ų | 104 | 146.3 Ų | 146.3 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | | | trans | -60.1 | 126.2 | 177.3 | 23.4 | -31 | 0 | 0 | 0 | 108.8 | F92 I96 | F92-P94 WeakPolarHBondContact O-CD 3.12Å; P94-I96 PolarHBondContact O-N 3.05Å |
| 95 | F | 56.1 | Low | 50.2 | Low | 175 Ų | 175 | 154 Ų | 154 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | | | trans | -59.6 | 99.6 | 171.4 | -77.7 | -91.3 | 0 | 0 | 0 | 108.2 | M93 M97 | M93-F95 PolarHBondContact O-N 2.97Å; F95-M97 HydrophobicContact CB-CG 4.49Å; F95-M97 PolarHBondContact O-N 3.39Å |
| 96 | I | 57.4 | Low | 49.5 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | | | trans | -73.5 | 87.5 | 163.8 | -54.3 | 177.5 | 0 | 0 | 0 | 105 | P94 S98 | P94-I96 PolarHBondContact O-N 3.05Å; I96-S98 PolarHBondContact O-N 2.9Å |
| 97 | M | 50.8 | Low | 48.8 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | -65.3 | 90.9 | 163.8 | -64.5 | -172.5 | 80.7 | 0 | 0 | 106.3 | F95 D99 | F95-M97 HydrophobicContact CB-CG 4.49Å; F95-M97 PolarHBondContact O-N 3.39Å; M97-D99 PolarHBondContact O-N 2.78Å |
| 98 | S | 51.6 | Low | 48.2 | Very low | 88 Ų | 88 | 150.1 Ų | 150.1 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | -72.3 | 86.2 | 164.5 | -71 | 0 | 0 | 0 | 0 | 107.8 | I96 N100 | I96-S98 PolarHBondContact O-N 2.9Å; S98-N100 PolarHBondContact O-N 3.1Å |
| 99 | D | 43.3 | Very low | 47.7 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | -67 | 65.1 | 163.3 | -78.5 | -30.1 | 0 | 0 | 0 | 109.7 | M97 S101 | M97-D99 PolarHBondContact O-N 2.78Å; D99-S101 PolarHBondContact O-N 2.93Å; D99-S101 VanDerWaalsContact O-N 3.08Å |
| 100 | N | 43.7 | Very low | 47.4 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | -86.2 | 67.1 | 169.2 | -85.1 | -10.6 | 0 | 0 | 0 | 109.3 | S98 H102 | S98-N100 PolarHBondContact O-N 3.1Å; N100-H102 PolarHBondContact O-N 2.87Å |
| 101 | S | 40.5 | Very low | 47.1 | Very low | 107 Ų | 107 | 153 Ų | 153 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -75.1 | 69.2 | 160.1 | 61 | 0 | 0 | 0 | 0 | 109.9 | D99 | D99-S101 PolarHBondContact O-N 2.93Å; D99-S101 VanDerWaalsContact O-N 3.08Å |
| 102 | H | 41 | Very low | 46.3 | Very low | 169 Ų | 169 | 157.5 Ų | 157.5 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | | | trans | -110.7 | 81.4 | 166 | -76.9 | -49.1 | 0 | 0 | 0 | 110.4 | N100 | N100-H102 PolarHBondContact O-N 2.87Š|
| 103 | K | 38.6 | Very low | 45.7 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | trans | -61.2 | 147 | 149.3 | -79.1 | -179.5 | 173 | 176.6 | 0 | 109 | | |
| 104 | R | 44 | Very low | 45.4 | Very low | 239 Ų | 239 | 151 Ų | 151 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | 95.8 | 98.3 | 172 | -56 | -176.2 | -177.9 | -176 | 1.9 | 112.9 | | |
| 105 | R | 41.6 | Very low | 45.2 | Very low | 248 Ų | 248 | 155 Ų | 155 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | | | | 64.7 | 98.9 | 78.6 | -164.3 | -177.1 | -160.1 | 176.6 | 7 | 111.2 | | |
| 106 | G | 39.5 | Very low | 44.8 | Very low | 68 Ų | 68 | 153.7 Ų | 153.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | 169.2 | 77.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 107 | E | 40.8 | Very low | 44.4 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | | 47.8 | 114 | 96.2 | -98 | 178.3 | 137.1 | 0 | 0 | 113.4 | | |
| 108 | E | 42.1 | Very low | 44.3 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | 63.2 | 87.6 | 151.8 | -57.3 | -168.7 | 155.7 | 0 | 0 | 118.8 | | |
| 109 | A | 45.5 | Very low | 44.2 | Very low | 94 Ų | 94 | 157.6 Ų | 157.6 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -138.4 | 70.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | M111 | A109-M111 PolarHBondContact O-N 3.18Š|
| 110 | F | 44.2 | Very low | 44.9 | Very low | 203 Ų | 203 | 155 Ų | 155 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -66.8 | 68 | 159.3 | -95.8 | -91.6 | 0 | 0 | 0 | 109.3 | K112 | F110-K112 PolarHBondContact O-N 2.77Š|
| 111 | M | 46.5 | Very low | 46 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -89.3 | 89.7 | 164.7 | -78.3 | -115.1 | 153.2 | 0 | 0 | 108.3 | A109 S113 | A109-M111 PolarHBondContact O-N 3.18Å; M111-S113 PolarHBondContact O-N 2.87Å |
| 112 | K | 47.7 | Very low | 47.1 | Very low | 207 Ų | 207 | 147.8 Ų | 147.8 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | | | trans | -32 | 92.8 | 156.5 | -70.8 | 169.5 | 171.9 | 176.5 | 0 | 111.2 | F110 | F110-K112 PolarHBondContact O-N 2.77Š|
| 113 | S | 47.1 | Very low | 48.6 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -106 | 97.7 | 148.7 | 73.4 | 0 | 0 | 0 | 0 | 106 | M111 K115 | M111-S113 PolarHBondContact O-N 2.87Å; S113-K115 PolarHBondContact O-N 3.08Å |
| 114 | G | 42.9 | Very low | 49.8 | Very low | 83 Ų | 83 | 144.3 Ų | 144.3 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | | | trans | -70.9 | 63.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 115 | K | 45.3 | Very low | 50.9 | Low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -109.8 | 69.9 | 161 | -69.3 | -179.5 | 178.7 | 179.4 | 0 | 106.2 | S113 S117 | S113-K115 PolarHBondContact O-N 3.08Å; K115-S117 PolarHBondContact O-N 2.81Å |
| 116 | Q | 47.9 | Very low | 51.9 | Low | 149 Ų | 149 | 134.3 Ų | 134.3 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | | | trans | -66.2 | 94.1 | 168.3 | -155.7 | 173.7 | 2.6 | 0 | 0 | 104.8 | F118 | Q116-F118 PolarHBondContact O-N 2.98Š|
| 117 | S | 47.7 | Very low | 53 | Low | 92 Ų | 92 | 131.9 Ų | 131.9 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | | | trans | -64.5 | 108.5 | 176.5 | 49.7 | 0 | 0 | 0 | 0 | 106.5 | K115 Q119 | K115-S117 PolarHBondContact O-N 2.81Å; S117-Q119 PolarHBondContact O-N 3.2Å |
| 118 | F | 48.6 | Very low | 54.1 | Low | 193 Ų | 193 | 132.1 Ų | 132.1 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | | | trans | -55.3 | 103.7 | 169.9 | -65.4 | -88.8 | 0 | 0 | 0 | 107.6 | Q116 S120 | Q116-F118 PolarHBondContact O-N 2.98Å; F118-S120 PolarHBondContact O-N 3.17Å; F118-S120 VanDerWaalsContact O-N 3.12Å |
| 119 | Q | 50.1 | Low | 55.4 | Low | 176 Ų | 176 | 128.7 Ų | 128.7 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | | | trans | -83.1 | 76.9 | 169.9 | -72.5 | -169.6 | 0.9 | 0 | 0 | 107.1 | S117 G121 | S117-Q119 PolarHBondContact O-N 3.2Å; Q119-G121 PolarHBondContact O-N 2.86Å; Q119-G121 VanDerWaalsContact O-N 3.1Å |
| 120 | S | 57.6 | Low | 56.3 | Low | 76 Ų | 76 | 127 Ų | 127 | 53% | 0.531 | 66% | 0.658 | S | S | . | * | | | trans | -68.4 | 104.7 | 161.4 | 54.1 | 0 | 0 | 0 | 0 | 107.2 | F118 C122 | F118-S120 PolarHBondContact O-N 3.17Å; F118-S120 VanDerWaalsContact O-N 3.12Å; S120-C122 VanDerWaalsContact C-N 3.3Å; S120-C122 PolarHBondContact O-N 3.22Å |
| 121 | G | 67.7 | Low | 57 | Low | 47 Ų | 47 | 122 Ų | 122 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 80.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q119 | Q119-G121 PolarHBondContact O-N 2.86Å; Q119-G121 VanDerWaalsContact O-N 3.1Å |
| 122 | C | 63 | Low | 58 | Low | 44 Ų | 44 | 120.6 Ų | 120.6 | 30% | 0.297 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 128.9 | 174.3 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | S120 E137 E138 C139 | S120-C122 VanDerWaalsContact C-N 3.3Å; S120-C122 PolarHBondContact O-N 3.22Å; C122-E137 HydrophobicContact CB-CG 3.75Å; C122-E137 VanDerWaalsContact CB-OE1 3.29Å; C122-E137 WeakPolarHBondContact CB-OE1 3.11Å; C122-E138 WeakPolarHBondContact CA-O 2.96Å; C122-C139 HydrophobicContact CB-CB 4.16Å; C122-C139 WeakPolarHBondContact CB-SG 3.33Å; C122-C139 WeakPolarHBondContact SG-CB 3.46Å; C122-C139 CovalentContact SG-SG 2.05Å; C122-C139 PolarHBondContact SG-SG 3.2Å |
| 123 | R | 71.6 | Confident | 58.9 | Low | 176 Ų | 176 | 113.1 Ų | 113.1 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.2 | 174.4 | -71.7 | -177.6 | 173 | 168.1 | -0.1 | 108.8 | R125 E138 | R123-R125 PolarHBondContact O-N 2.88Å; R123-E138 PolarHBondContact N-O 2.64Å; R123-E138 PolarHBondContact O-N 3.39Å |
| 124 | L | 64.2 | Low | 59.8 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.3 | 172.2 | -68.4 | 170.5 | 0 | 0 | 0 | 108.8 | F135 E136 E137 | L124-F135 HydrophobicContact CB-CB 4.15Å; L124-F135 HydrophobicContact CB-CD1 4.04Å; L124-F135 HydrophobicContact CB-CG 4.28Å; L124-F135 HydrophobicContact CD2-CB 4.07Å; L124-E136 WeakPolarHBondContact CA-O 3.24Å; L124-E137 HydrophobicContact CD2-CB 4.09Å; L124-E137 HydrophobicContact CD2-CG 4.46Å |
| 125 | R | 66.8 | Low | 60.9 | Low | 150 Ų | 150 | 115.5 Ų | 115.5 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.9 | 171.8 | -60.4 | -169 | 104.4 | 129.2 | 3.2 | 109.2 | R123 P127 F135 E136 E138 | R123-R125 PolarHBondContact O-N 2.88Å; R125-P127 VanDerWaalsContact O-CD 3.3Å; R125-P127 WeakPolarHBondContact O-CD 3.34Å; R125-F135 CarbonylContact O-C 3.59Å; R125-F135 WeakPolarHBondContact O-CA 3.48Å; R125-E136 PolarHBondContact N-O 2.92Å; R125-E136 PolarHBondContact O-N 2.88Å; R125-E138 VanDerWaalsContact CD-OE2 3.29Å; R125-E138 WeakPolarHBondContact CD-OE2 3.3Å |
| 126 | R | 63.5 | Low | 62 | Low | 128 Ų | 128 | 111.7 Ų | 111.7 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | | | trans | -75.7 | 117.4 | 171.3 | -174.1 | 166.5 | -173.8 | 165.4 | 1.4 | 108.8 | L128 P131 L134 F135 | R126-L128 PolarHBondContact O-N 2.9Å; R126-P131 PolarHBondContact NH2-O 3.27Å; R126-L134 WeakPolarHBondContact CB-O 3.49Å; R126-L134 VanDerWaalsContact CG-O 3.24Å; R126-L134 WeakPolarHBondContact CG-O 3.21Å; R126-F135 HydrophobicContact CB-CD1 4.41Å; R126-F135 HydrophobicContact CB-CE1 4.45Å |
| 127 | P | 62.1 | Low | 63 | Low | 16 Ų | 16 | 111 Ų | 111 | 10% | 0.104 | 57% | 0.574 | C | S | . | * | | | trans | -64.3 | 121.7 | 173.2 | 27.4 | -34.8 | 0 | 0 | 0 | 109 | R125 S129 V133 E136 | R125-P127 VanDerWaalsContact O-CD 3.3Å; R125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-S129 PolarHBondContact O-N 2.98Å; P127-V133 HydrophobicContact CG-CB 3.85Å; P127-V133 HydrophobicContact CG-CG1 3.6Å; P127-E136 HydrophobicContact CB-CG 4.37Å; P127-E136 HydrophobicContact CG-CG 3.78Å |
| 128 | L | 64.8 | Low | 64 | Low | 180 Ų | 180 | 111.5 Ų | 111.5 | 94% | 0.942 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -14.4 | -178.6 | -63.4 | 176 | 0 | 0 | 0 | 113 | R126 | R126-L128 PolarHBondContact O-N 2.9Š|
| 129 | S | 68.2 | Low | 64.7 | Low | 102 Ų | 102 | 105.3 Ų | 105.3 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -18.7 | -174.7 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | P127 | P127-S129 PolarHBondContact O-N 2.98Š|
| 130 | V | 63.9 | Low | 65.3 | Low | 58 Ų | 58 | 103.2 Ų | 103.2 | 35% | 0.352 | 54% | 0.537 | S | S | . | . | | | trans | -129.2 | 105.4 | -175.1 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | D132 V133 | V130-D132 PolarHBondContact O-N 3.02Å; V130-V133 HydrophobicContact CB-CB 4.11Å; V130-V133 HydrophobicContact CB-CG2 3.89Å; V130-V133 HydrophobicContact CG1-CB 4.2Å; V130-V133 HydrophobicContact CG1-CG2 3.56Å; V130-V133 PolarHBondContact O-N 3.04Å |
| 131 | P | 60.8 | Low | 65.4 | Low | 97 Ų | 97 | 107.1 Ų | 107.1 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.6 | -174 | 21.2 | -30.7 | 0 | 0 | 0 | 113 | R126 | R126-P131 PolarHBondContact NH2-O 3.27Š|
| 132 | D | 66.1 | Low | 64.9 | Low | 149 Ų | 149 | 113.6 Ų | 113.6 | 80% | 0.797 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -4.7 | -175.1 | -58.9 | -33 | 0 | 0 | 0 | 114.1 | V130 | V130-D132 PolarHBondContact O-N 3.02Š|
| 133 | V | 66.3 | Low | 64.4 | Low | 50 Ų | 50 | 115.7 Ų | 115.7 | 30% | 0.303 | 58% | 0.581 | S | S | . | * | | | trans | -93.9 | 112.9 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | P127 V130 E136 | P127-V133 HydrophobicContact CG-CB 3.85Å; P127-V133 HydrophobicContact CG-CG1 3.6Å; V130-V133 HydrophobicContact CB-CB 4.11Å; V130-V133 HydrophobicContact CB-CG2 3.89Å; V130-V133 HydrophobicContact CG1-CB 4.2Å; V130-V133 HydrophobicContact CG1-CG2 3.56Å; V130-V133 PolarHBondContact O-N 3.04Å; V133-E136 HydrophobicContact CG1-CG 4.09Å |
| 134 | L | 66.1 | Low | 63.3 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 59% | 0.586 | 59% | 0.586 | S | S | * | * | | | trans | -71.1 | -41.6 | -175.6 | -69.4 | 173.3 | 0 | 0 | 0 | 111.5 | R126 | R126-L134 WeakPolarHBondContact CB-O 3.49Å; R126-L134 VanDerWaalsContact CG-O 3.24Å; R126-L134 WeakPolarHBondContact CG-O 3.21Å |
| 135 | F | 66.5 | Low | 62.5 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | | | trans | -157.3 | 137.5 | -179.2 | -61 | -81.3 | 0 | 0 | 0 | 111.1 | L124 R125 R126 | L124-F135 HydrophobicContact CB-CB 4.15Å; L124-F135 HydrophobicContact CB-CD1 4.04Å; L124-F135 HydrophobicContact CB-CG 4.28Å; L124-F135 HydrophobicContact CD2-CB 4.07Å; R125-F135 CarbonylContact O-C 3.59Å; R125-F135 WeakPolarHBondContact O-CA 3.48Å; R126-F135 HydrophobicContact CB-CD1 4.41Å; R126-F135 HydrophobicContact CB-CE1 4.45Å |
| 136 | E | 68.5 | Low | 61.6 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.9 | 161.7 | -75.1 | 175.7 | -176.1 | 0 | 0 | 108.4 | L124 R125 P127 V133 E138 | L124-E136 WeakPolarHBondContact CA-O 3.24Å; R125-E136 PolarHBondContact N-O 2.92Å; R125-E136 PolarHBondContact O-N 2.88Å; P127-E136 HydrophobicContact CB-CG 4.37Å; P127-E136 HydrophobicContact CG-CG 3.78Å; V133-E136 HydrophobicContact CG1-CG 4.09Å; E136-E138 PolarHBondContact O-N 3.21Å |
| 137 | E | 69.4 | Low | 60.6 | Low | 134 Ų | 134 | 112.6 Ų | 112.6 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 109.1 | 174.7 | -171.7 | 176.6 | -166.5 | 0 | 0 | 108.7 | C122 L124 | C122-E137 HydrophobicContact CB-CG 3.75Å; C122-E137 VanDerWaalsContact CB-OE1 3.29Å; C122-E137 WeakPolarHBondContact CB-OE1 3.11Å; L124-E137 HydrophobicContact CD2-CB 4.09Å; L124-E137 HydrophobicContact CD2-CG 4.46Å |
| 138 | E | 67.5 | Low | 59.6 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 108 | 172.6 | -167.8 | 172.6 | -156.4 | 0 | 0 | 107.6 | C122 R123 R125 E136 | C122-E138 WeakPolarHBondContact CA-O 2.96Å; R123-E138 PolarHBondContact N-O 2.64Å; R123-E138 PolarHBondContact O-N 3.39Å; R125-E138 VanDerWaalsContact CD-OE2 3.29Å; R125-E138 WeakPolarHBondContact CD-OE2 3.3Å; E136-E138 PolarHBondContact O-N 3.21Å |
| 139 | C | 63.2 | Low | 58.5 | Low | 63 Ų | 63 | 117.6 Ų | 117.6 | 43% | 0.426 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.3 | 175.9 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | C122 M141 | C122-C139 HydrophobicContact CB-CB 4.16Å; C122-C139 WeakPolarHBondContact CB-SG 3.33Å; C122-C139 WeakPolarHBondContact SG-CB 3.46Å; C122-C139 CovalentContact SG-SG 2.05Å; C122-C139 PolarHBondContact SG-SG 3.2Å; C139-M141 PolarHBondContact O-N 2.96Å; C139-M141 VanDerWaalsContact O-N 3.17Å |
| 140 | E | 63 | Low | 57.2 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 62% | 0.617 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.5 | 103.7 | 164.3 | -69.3 | 177.2 | -178.1 | 0 | 0 | 107.3 | E142 | E140-E142 PolarHBondContact O-N 3.08Å |
| 141 | M | 60.1 | Low | 56.3 | Low | 158 Ų | 158 | 122.1 Ų | 122.1 | 78% | 0.778 | 67% | 0.668 | S | S | * | * | | | trans | -85.8 | 105.3 | 169 | -166.8 | -179.7 | -49 | 0 | 0 | 106.8 | C139 S143 | C139-M141 PolarHBondContact O-N 2.96Å; C139-M141 VanDerWaalsContact O-N 3.17Å; M141-S143 PolarHBondContact O-N 3.02Å |
| 142 | E | 57.6 | Low | 55.6 | Low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | | | trans | -66 | 88.5 | 163.3 | -70 | -169.3 | 151.8 | 0 | 0 | 107.3 | E140 E144 | E140-E142 PolarHBondContact O-N 3.08Å; E142-E144 PolarHBondContact O-N 3.4Å; E142-E144 VanDerWaalsContact O-N 3.11Å |
| 143 | S | 51.3 | Low | 54.4 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | | | trans | -70 | 102.1 | 161.8 | 53 | 0 | 0 | 0 | 0 | 106.2 | M141 D145 | M141-S143 PolarHBondContact O-N 3.02Å; S143-D145 PolarHBondContact O-N 3.23Å |
| 144 | E | 49 | Very low | 53.1 | Low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | | | trans | -57.9 | 97.3 | 154.6 | -71.7 | -173.8 | 149.3 | 0 | 0 | 105.7 | E142 A146 | E142-E144 PolarHBondContact O-N 3.4Å; E142-E144 VanDerWaalsContact O-N 3.11Å; E144-A146 VanDerWaalsContact C-N 3.25Å; E144-A146 PolarHBondContact O-N 3.2Å |
| 145 | D | 47.7 | Very low | 52.1 | Low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | | | trans | -53.8 | 104.6 | 161.5 | -94.4 | -30.2 | 0 | 0 | 0 | 105.2 | S143 S147 | S143-D145 PolarHBondContact O-N 3.23Å; D145-S147 PolarHBondContact O-N 3.38Å |
| 146 | A | 48.1 | Very low | 51.1 | Low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | 108.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | E144 | E144-A146 VanDerWaalsContact C-N 3.25Å; E144-A146 PolarHBondContact O-N 3.2Å |
| 147 | S | 42.2 | Very low | 50 | Low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 73.5 | 156.2 | 168.4 | 0 | 0 | 0 | 0 | 114.8 | D145 | D145-S147 PolarHBondContact O-N 3.38Š|
| 148 | A | 41.8 | Very low | 49.2 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | trans | -107.6 | 88.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | A150 | A148-A150 PolarHBondContact O-N 2.84Š|
| 149 | Y | 40.5 | Very low | 48.1 | Very low | 209 Ų | 209 | 131.8 Ų | 131.8 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | | | trans | -44.1 | 112.1 | 154.3 | -85.4 | -95.5 | 0 | 0 | 0 | 106.6 | L151 | Y149-L151 PolarHBondContact O-N 2.88Š|
| 150 | A | 42.1 | Very low | 47.6 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -62.6 | 92.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107 | A148 R152 | A148-A150 PolarHBondContact O-N 2.84Å; A150-R152 PolarHBondContact O-N 2.88Å |
| 151 | L | 45 | Very low | 47 | Very low | 161 Ų | 161 | 136 Ų | 136 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -60.8 | 98.1 | 158.2 | -74.5 | 176.4 | 0 | 0 | 0 | 105 | Y149 G153 | Y149-L151 PolarHBondContact O-N 2.88Å; L151-G153 PolarHBondContact O-N 3.31Å |
| 152 | R | 45.7 | Very low | 46.2 | Very low | 253 Ų | 253 | 137.3 Ų | 137.3 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -28.4 | 109.6 | 169.2 | -115.2 | 179.2 | 167.4 | -173.3 | -2.8 | 110 | A150 | A150-R152 PolarHBondContact O-N 2.88Š|
| 153 | G | 41.3 | Very low | 45.9 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.2 | 10.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | L151 | L151-G153 PolarHBondContact O-N 3.31Š|
| 154 | H | 39.2 | Very low | 45.6 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -111.7 | 126.4 | 169.9 | -87 | -59.9 | 0 | 0 | 0 | 113.3 | V156 | H154-V156 PolarHBondContact O-N 2.93Š|
| 155 | P | 43.8 | Very low | 45.9 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 132.6 | -176.8 | 26.4 | -32.5 | 0 | 0 | 0 | 111.7 | S157 | P155-S157 PolarHBondContact O-N 3.14Š|
| 156 | V | 47 | Very low | 46 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -60.6 | 109.9 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | H154 T158 | H154-V156 PolarHBondContact O-N 2.93Å; V156-T158 HydrophobicContact CG1-CG2 3.62Å; V156-T158 PolarHBondContact O-N 3Å |
| 157 | S | 45 | Very low | 46 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -84.7 | 95 | 163.3 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | P155 S159 | P155-S157 PolarHBondContact O-N 3.14Å; S157-S159 VanDerWaalsContact C-N 3.33Å; S157-S159 PolarHBondContact O-N 2.99Å |
| 158 | T | 52.9 | Low | 46.5 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | | | trans | -71.9 | 84.2 | 173.4 | 54.8 | 0 | 0 | 0 | 0 | 110 | V156 Q160 | V156-T158 HydrophobicContact CG1-CG2 3.62Å; V156-T158 PolarHBondContact O-N 3Å; T158-Q160 PolarHBondContact O-N 3.21Å; T158-Q160 VanDerWaalsContact O-N 3.07Å |
| 159 | S | 44.4 | Very low | 46.6 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -72.5 | 97.3 | 162.7 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | S157 P161 | S157-S159 VanDerWaalsContact C-N 3.33Å; S157-S159 PolarHBondContact O-N 2.99Å; S159-P161 WeakPolarHBondContact O-CD 3.32Å |
| 160 | Q | 52.9 | Low | 47 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -60 | 123.8 | 170.7 | -68.7 | -165.4 | -19.4 | 0 | 0 | 109.2 | T158 M162 | T158-Q160 PolarHBondContact O-N 3.21Å; T158-Q160 VanDerWaalsContact O-N 3.07Å; Q160-M162 PolarHBondContact O-N 3.02Å |
| 161 | P | 49.5 | Very low | 47.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -68.8 | 106 | 165 | 27.3 | -29.3 | 0 | 0 | 0 | 107.2 | S159 A163 | S159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-A163 VanDerWaalsContact C-N 3.31Å; P161-A163 PolarHBondContact O-N 3.41Å |
| 162 | M | 43.4 | Very low | 47.4 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -56.2 | 97.4 | 167.9 | -86.7 | -165.2 | 156.5 | 0 | 0 | 108.4 | Q160 K164 | Q160-M162 PolarHBondContact O-N 3.02Å; M162-K164 PolarHBondContact O-N 2.94Å |
| 163 | A | 50.2 | Low | 47.6 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -60.8 | 103 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P161 R165 | P161-A163 VanDerWaalsContact C-N 3.31Å; P161-A163 PolarHBondContact O-N 3.41Å; A163-R165 VanDerWaalsContact C-N 3.32Å; A163-R165 PolarHBondContact O-N 3.01Å |
| 164 | K | 45.6 | Very low | 47.8 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -65.2 | 91.6 | 179.2 | -160.9 | 168.3 | -173.8 | 175.4 | 0 | 107.9 | M162 H166 | M162-K164 PolarHBondContact O-N 2.94Å; K164-H166 PolarHBondContact O-N 2.94Å |
| 165 | R | 55.2 | Low | 48.5 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -63.6 | 101.2 | 173.3 | -72.2 | -177.3 | 168.9 | -177.2 | -4.2 | 107.9 | A163 S167 | A163-R165 VanDerWaalsContact C-N 3.32Å; A163-R165 PolarHBondContact O-N 3.01Å; R165-S167 PolarHBondContact O-N 2.95Å |
| 166 | H | 50.8 | Low | 48.8 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -69.1 | 90.3 | 161.5 | -71.1 | -76.9 | 0 | 0 | 0 | 107.2 | K164 V168 | K164-H166 PolarHBondContact O-N 2.94Å; H166-V168 PolarHBondContact O-N 2.91Å |
| 167 | S | 47.4 | Very low | 48.9 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -64.9 | 102.1 | 164.8 | 53 | 0 | 0 | 0 | 0 | 107.2 | R165 N169 | R165-S167 PolarHBondContact O-N 2.95Å; S167-N169 VanDerWaalsContact C-N 3.29Å; S167-N169 PolarHBondContact O-N 2.74Å |
| 168 | V | 53.1 | Low | 48.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -68.5 | 97.7 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 105.5 | H166 L170 | H166-V168 PolarHBondContact O-N 2.91Å; V168-L170 VanDerWaalsContact C-N 3.26Å; V168-L170 PolarHBondContact O-N 2.76Å |
| 169 | N | 43.8 | Very low | 48.7 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -62.8 | 94.3 | 168.1 | -82.1 | -13.8 | 0 | 0 | 0 | 107 | S167 T171 | S167-N169 VanDerWaalsContact C-N 3.29Å; S167-N169 PolarHBondContact O-N 2.74Å; N169-T171 PolarHBondContact O-N 2.79Å |
| 170 | L | 49.5 | Very low | 48.6 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -63.5 | 95 | 161.3 | -76.3 | 157.8 | 0 | 0 | 0 | 105.9 | V168 S172 | V168-L170 VanDerWaalsContact C-N 3.26Å; V168-L170 PolarHBondContact O-N 2.76Å; L170-S172 PolarHBondContact O-N 3.09Å |
| 171 | T | 48.4 | Very low | 48.4 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -55.5 | 107.6 | 167.3 | 41.7 | 0 | 0 | 0 | 0 | 106.8 | N169 A173 | N169-T171 PolarHBondContact O-N 2.79Å; T171-A173 PolarHBondContact O-N 3.16Å |
| 172 | S | 45.5 | Very low | 48.3 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -49.2 | 104.8 | 171 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | L170 R174 | L170-S172 PolarHBondContact O-N 3.09Å; S172-R174 VanDerWaalsContact C-N 3.31Å; S172-R174 PolarHBondContact O-N 3.15Å |
| 173 | A | 51.4 | Low | 48.6 | Very low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -63.4 | 100.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | T171 L175 | T171-A173 PolarHBondContact O-N 3.16Å; A173-L175 PolarHBondContact O-N 3.07Å |
| 174 | R | 44.8 | Very low | 48.5 | Very low | 228 Ų | 228 | 150.2 Ų | 150.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -50.4 | 107.7 | 177.1 | -175.2 | 177.9 | -176.8 | 175.8 | 0 | 108.6 | S172 | S172-R174 VanDerWaalsContact C-N 3.31Å; S172-R174 PolarHBondContact O-N 3.15Å |
| 175 | L | 53.2 | Low | 48.7 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134 | 169.2 | -68.6 | 167.4 | 0 | 0 | 0 | 108 | A173 S177 | A173-L175 PolarHBondContact O-N 3.07Å; L175-S177 PolarHBondContact O-N 3.41Å |
| 176 | P | 51.1 | Low | 48.2 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 124 | 177 | 23.5 | -30.6 | 0 | 0 | 0 | 109.2 | I178 | P176-I178 PolarHBondContact O-N 2.99Š|
| 177 | S | 47.8 | Very low | 48 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 123 | 173 | 53.7 | 0 | 0 | 0 | 0 | 109 | L175 T179 | L175-S177 PolarHBondContact O-N 3.41Å; S177-T179 PolarHBondContact O-N 3.37Å |
| 178 | I | 45.9 | Very low | 48.1 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | | | trans | -68.6 | 110.8 | 171.2 | -58.4 | 164.3 | 0 | 0 | 0 | 106.9 | P176 | P176-I178 PolarHBondContact O-N 2.99Š|
| 179 | T | 49.4 | Very low | 47.7 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | trans | -113.5 | 117.8 | 164.1 | 41.6 | 0 | 0 | 0 | 0 | 108.3 | S177 | S177-T179 PolarHBondContact O-N 3.37Š|
| 180 | E | 41.3 | Very low | 48 | Very low | 266 Ų | 266 | 149 Ų | 149 | 100% | 1.243 | 83% | 0.826 | S | S | * | * | | | trans | 42.1 | 0 | 163.7 | -65.6 | -176.5 | 162.8 | 0 | 0 | 119.4 | | |