| 1 | M | 62.2 | Low | 65.5 | Low | 239 Ų | 239 | 181.5 Ų | 181.5 | 100% | 1.177 | 88% | 0.883 | S | S | * | * | | | | 0 | 123.8 | 0 | -73.5 | 164.3 | 152.4 | 0 | 0 | 108.1 | | |
| 2 | P | 66.7 | Low | 64.2 | Low | 117 Ų | 117 | 171.1 Ų | 171.1 | 76% | 0.76 | 86% | 0.859 | S | S | * | * | | | trans | -66.8 | 132.1 | 178.2 | -14.4 | 28.6 | 0 | 0 | 0 | 110.7 | F4 | P2-F4 WeakPolarHBondContact O-CE1 3.32Š|
| 3 | A | 64.9 | Low | 62.6 | Low | 96 Ų | 96 | 163.8 Ų | 163.8 | 79% | 0.793 | 85% | 0.853 | S | S | * | * | | | trans | -89.6 | 123.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | K5 | A3-K5 PolarHBondContact O-N 2.99Š|
| 4 | F | 74.8 | Confident | 61.6 | Low | 197 Ų | 197 | 168.4 Ų | 168.4 | 86% | 0.864 | 86% | 0.856 | S | S | * | * | | | trans | -82.6 | 113.3 | 177.3 | -8.8 | -85.5 | 0 | 0 | 0 | 109 | P2 | P2-F4 WeakPolarHBondContact O-CE1 3.32Š|
| 5 | K | 73.7 | Confident | 60.7 | Low | 198 Ų | 198 | 162.9 Ų | 162.9 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 120 | 170.1 | -71.8 | 179.6 | 179.8 | 179.6 | 0 | 108.8 | A3 R7 | A3-K5 PolarHBondContact O-N 2.99Å; K5-R7 PolarHBondContact O-N 3.42Å |
| 6 | Q | 71.9 | Confident | 60.2 | Low | 190 Ų | 190 | 159.3 Ų | 159.3 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.2 | 173.3 | -166 | 172.5 | 65.1 | 0 | 0 | 109 | Q8 | Q6-Q8 PolarHBondContact O-N 3.06Š|
| 7 | R | 68.7 | Low | 59.4 | Low | 239 Ų | 239 | 157.6 Ų | 157.6 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119.6 | 171.5 | -71.8 | -179.5 | 163.6 | -136.3 | -1.4 | 107.8 | K5 | K5-R7 PolarHBondContact O-N 3.42Š|
| 8 | Q | 70.6 | Confident | 58.6 | Low | 171 Ų | 171 | 152.6 Ų | 152.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 139.9 | 169.4 | -66.7 | -166.2 | -23.3 | 0 | 0 | 109 | Q6 D10 | Q6-Q8 PolarHBondContact O-N 3.06Å; Q8-D10 PolarHBondContact O-N 3.35Å |
| 9 | P | 69.6 | Low | 57.8 | Low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66 | 126.4 | 171.1 | 25.6 | -30.1 | 0 | 0 | 0 | 109.3 | R11 | P9-R11 PolarHBondContact O-N 3.4Š|
| 10 | D | 55.9 | Low | 57.4 | Low | 161 Ų | 161 | 154.4 Ų | 154.4 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 132.2 | 177.3 | -67.9 | -67.9 | 0 | 0 | 0 | 111.2 | Q8 G12 | Q8-D10 PolarHBondContact O-N 3.35Å; D10-G12 PolarHBondContact O-N 3.09Å; D10-G12 VanDerWaalsContact O-N 3.1Å |
| 11 | R | 41.6 | Very low | 57 | Low | 260 Ų | 260 | 154 Ų | 154 | 98% | 0.981 | 81% | 0.811 | S | S | * | * | | | trans | -42.3 | 102.4 | 173.5 | -165.8 | 178 | -167.2 | 174.6 | 2 | 112.5 | P9 | P9-R11 PolarHBondContact O-N 3.4Š|
| 12 | G | 49.5 | Very low | 56.1 | Low | 57 Ų | 57 | 146.4 Ų | 146.4 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | | | trans | -128.3 | 105.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D10 | D10-G12 PolarHBondContact O-N 3.09Å; D10-G12 VanDerWaalsContact O-N 3.1Å |
| 13 | G | 43.9 | Very low | 55.2 | Low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -75.3 | 141 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S15 | G13-S15 PolarHBondContact O-N 2.96Š|
| 14 | Y | 48.5 | Very low | 54.5 | Low | 228 Ų | 228 | 147.1 Ų | 147.1 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | | | trans | -84 | 95.2 | 166.9 | -31.3 | -76.5 | 0 | 0 | 0 | 107.4 | | |
| 15 | S | 47.5 | Very low | 53.2 | Low | 86 Ų | 86 | 142.4 Ų | 142.4 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | trans | -116.3 | 104.1 | 171.8 | -132.7 | 0 | 0 | 0 | 0 | 108 | G13 D17 | G13-S15 PolarHBondContact O-N 2.96Å; S15-D17 WeakPolarHBondContact CB-OD2 3.39Å; S15-D17 PolarHBondContact O-N 3.49Å; S15-D17 VanDerWaalsContact OG-CG 3.23Å; S15-D17 PolarHBondContact OG-OD1 2.75Å; S15-D17 PolarHBondContact OG-OD2 2.76Å |
| 16 | C | 53.7 | Low | 52.2 | Low | 105 Ų | 105 | 137 Ų | 137 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | trans | -88.8 | 67.2 | 172.3 | 30.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 17 | D | 45.6 | Very low | 50.9 | Low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -100.6 | 115.5 | 180 | -46.5 | -44.7 | 0 | 0 | 0 | 109.6 | S15 | S15-D17 WeakPolarHBondContact CB-OD2 3.39Å; S15-D17 PolarHBondContact O-N 3.49Å; S15-D17 VanDerWaalsContact OG-CG 3.23Å; S15-D17 PolarHBondContact OG-OD1 2.75Å; S15-D17 PolarHBondContact OG-OD2 2.76Å |
| 18 | G | 45.8 | Very low | 49.8 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | trans | 83.1 | 81.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 19 | S | 42.5 | Very low | 48.5 | Very low | 86 Ų | 86 | 122 Ų | 122 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | | | trans | -142.5 | 104.7 | 143.8 | -168.8 | 0 | 0 | 0 | 0 | 110.7 | N21 | S19-N21 PolarHBondContact O-N 3.26Š|
| 20 | W | 50.6 | Low | 47.3 | Very low | 255 Ų | 255 | 123.9 Ų | 123.9 | 97% | 0.966 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 25.5 | 174.5 | -72.6 | 75.3 | 0 | 0 | 0 | 113.3 | | |
| 21 | N | 49.8 | Very low | 47.1 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.8 | 73.6 | 175 | -99.9 | -50.1 | 0 | 0 | 0 | 109.4 | S19 G23 | S19-N21 PolarHBondContact O-N 3.26Å; N21-G23 PolarHBondContact O-N 2.72Å |
| 22 | G | 42.4 | Very low | 47 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.2 | 26.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118 | R24 | G22-R24 PolarHBondContact O-N 3.25Å; G22-R24 VanDerWaalsContact O-N 3.09Å |
| 23 | G | 46.8 | Very low | 47 | Very low | 51 Ų | 51 | 115.2 Ų | 115.2 | 53% | 0.526 | 71% | 0.706 | S | S | . | * | | | trans | -73.6 | 100 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N21 C25 | N21-G23 PolarHBondContact O-N 2.72Å; G23-C25 PolarHBondContact O-N 2.99Å; G23-C25 VanDerWaalsContact O-N 3.07Å |
| 24 | R | 51 | Low | 47 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 67% | 0.672 | 71% | 0.714 | S | S | * | * | | | trans | -46.1 | 110.5 | 179.2 | -56 | 173.1 | 176.3 | 177.7 | -2 | 111.9 | G22 V26 | G22-R24 PolarHBondContact O-N 3.25Å; G22-R24 VanDerWaalsContact O-N 3.09Å; R24-V26 HydrophobicContact CB-CG2 3.33Å; R24-V26 HydrophobicContact CG-CG2 4.29Å; R24-V26 PolarHBondContact O-N 3.43Å |
| 25 | C | 47.3 | Very low | 46.9 | Very low | 98 Ų | 98 | 115.5 Ų | 115.5 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | | | trans | -70.8 | 82.7 | 154 | -70.9 | 0 | 0 | 0 | 0 | 106.9 | G23 V27 | G23-C25 PolarHBondContact O-N 2.99Å; G23-C25 VanDerWaalsContact O-N 3.07Å; C25-V27 PolarHBondContact O-N 3.18Å |
| 26 | V | 52.3 | Low | 46.6 | Very low | 83 Ų | 83 | 118.8 Ų | 118.8 | 50% | 0.503 | 72% | 0.717 | S | S | . | * | | | trans | -78.1 | 75.5 | -179.1 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | R24 G28 | R24-V26 HydrophobicContact CB-CG2 3.33Å; R24-V26 HydrophobicContact CG-CG2 4.29Å; R24-V26 PolarHBondContact O-N 3.43Å; V26-G28 PolarHBondContact O-N 3.38Å |
| 27 | V | 45.1 | Very low | 45.9 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -80.7 | 99 | 149.8 | 179.8 | 0 | 0 | 0 | 0 | 105.3 | C25 | C25-V27 PolarHBondContact O-N 3.18Š|
| 28 | G | 44.9 | Very low | 45.6 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 74.6 | 40.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | V26 | V26-G28 PolarHBondContact O-N 3.38Š|
| 29 | S | 44.1 | Very low | 45.3 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 51% | 0.51 | 72% | 0.72 | S | S | . | * | | | trans | -113.9 | 98.7 | 175.5 | -125.8 | 0 | 0 | 0 | 0 | 112.5 | I31 | S29-I31 VanDerWaalsContact C-N 3.32Å; S29-I31 PolarHBondContact O-N 2.7Å |
| 30 | N | 44.4 | Very low | 45.1 | Very low | 167 Ų | 167 | 120.9 Ų | 120.9 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | | | trans | -63.6 | 86.7 | 168.1 | -62.4 | -73.8 | 0 | 0 | 0 | 109.6 | | |
| 31 | I | 52.4 | Low | 44.9 | Very low | 84 Ų | 84 | 113.7 Ų | 113.7 | 43% | 0.431 | 73% | 0.728 | S | S | . | * | | | trans | -104.6 | 101.7 | 175.6 | -59.9 | 173.7 | 0 | 0 | 0 | 108.5 | S29 S33 | S29-I31 VanDerWaalsContact C-N 3.32Å; S29-I31 PolarHBondContact O-N 2.7Å; I31-S33 PolarHBondContact O-N 2.93Å |
| 32 | S | 39.4 | Very low | 44.6 | Very low | 104 Ų | 104 | 115 Ų | 115 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -23.2 | 113.3 | 153.8 | 158.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 33 | S | 49.7 | Very low | 44.6 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | trans | -128.4 | 89.8 | 162.7 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | I31 G35 | I31-S33 PolarHBondContact O-N 2.93Å; S33-G35 PolarHBondContact O-N 3.49Å |
| 34 | R | 43.7 | Very low | 44.2 | Very low | 248 Ų | 248 | 129 Ų | 129 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | | | trans | -53.9 | 123.9 | 149.3 | -70.8 | 173.7 | 174.3 | 166.4 | -2.7 | 107.4 | | |
| 35 | G | 46.1 | Very low | 43.9 | Very low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | | | trans | 151 | 85 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S33 | S33-G35 PolarHBondContact O-N 3.49Š|
| 36 | V | 41.3 | Very low | 43.5 | Very low | 155 Ų | 155 | 128 Ų | 128 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | | | | 79.9 | 114.6 | 101.2 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 37 | G | 39.6 | Very low | 43.3 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | 100.2 | 114.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 38 | G | 38 | Very low | 43.4 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | cis | 108 | 97.5 | 37.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 39 | G | 39.7 | Very low | 43.3 | Very low | 48 Ų | 48 | 129.3 Ų | 129.3 | 50% | 0.495 | 76% | 0.76 | S | S | . | * | | | trans | 158.9 | 99 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 40 | Y | 39.5 | Very low | 43.4 | Very low | 224 Ų | 224 | 131.2 Ų | 131.2 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | | | trans | 39.2 | 80.8 | 144.1 | 47.5 | -93.9 | 0 | 0 | 0 | 118.7 | | |
| 41 | A | 46.1 | Very low | 43.4 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | | | trans | -145.3 | 72.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 42 | Q | 43.3 | Very low | 43.1 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -87.2 | 130.5 | 169.9 | -45.3 | -163.2 | 21.6 | 0 | 0 | 106.9 | | |
| 43 | M | 42 | Very low | 43.4 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | | | trans | 74.3 | 95.3 | 163.3 | -51.4 | -163.6 | 156.3 | 0 | 0 | 117.2 | | |
| 44 | Y | 38.2 | Very low | 43.1 | Very low | 248 Ų | 248 | 132.7 Ų | 132.7 | 97% | 0.973 | 77% | 0.772 | S | S | * | * | | | | -178.2 | 100.4 | 128.5 | -122.5 | -97.1 | 0 | 0 | 0 | 108.1 | | |
| 45 | G | 44.8 | Very low | 43.1 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | 160.2 | 76.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | T47 | G45-T47 PolarHBondContact O-N 3.49Š|
| 46 | Q | 39 | Very low | 43 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -35.8 | 113.1 | 159.8 | -172.7 | 174.3 | 34.1 | 0 | 0 | 109.5 | T48 | Q46-T48 PolarHBondContact O-N 3.49Š|
| 47 | T | 47.5 | Very low | 43.1 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -61.7 | 103.2 | 179 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | G45 | G45-T47 PolarHBondContact O-N 3.49Š|
| 48 | T | 48.3 | Very low | 43.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | -54.1 | 135.6 | 169.5 | 39.4 | 0 | 0 | 0 | 0 | 109.8 | Q46 Y50 | Q46-T48 PolarHBondContact O-N 3.49Å; T48-Y50 PolarHBondContact O-N 2.92Å |
| 49 | P | 43.2 | Very low | 44.1 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 60% | 0.597 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -75.1 | 73.8 | 177.3 | 32 | -33.2 | 0 | 0 | 0 | 109.6 | | |
| 50 | Y | 44.4 | Very low | 44.3 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 45% | 0.447 | 76% | 0.764 | S | S | . | * | | | trans | -136 | 50 | 167.2 | -94.1 | -79.4 | 0 | 0 | 0 | 109.6 | T48 S52 I73 | T48-Y50 PolarHBondContact O-N 2.92Å; Y50-S52 PolarHBondContact O-N 3.03Å; Y50-I73 HydrophobicContact CE2-CD1 4.06Å; Y50-I73 HydrophobicContact CE2-CG1 4Å; Y50-I73 WeakPolarHBondContact OH-CD1 3.43Å; Y50-I73 WeakPolarHBondContact OH-CG1 3.26Å |
| 51 | M | 45.7 | Very low | 44.8 | Very low | 173 Ų | 173 | 130 Ų | 130 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | | | trans | -74.4 | 83.7 | 153.1 | -62.4 | -172.7 | -175.2 | 0 | 0 | 106.6 | N53 | M51-N53 PolarHBondContact O-N 3.07Š|
| 52 | S | 46.6 | Very low | 45.3 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 57% | 0.573 | 76% | 0.755 | S | S | * | * | | | trans | -45.1 | 124.6 | 161.4 | 174 | 0 | 0 | 0 | 0 | 107.8 | Y50 G54 | Y50-S52 PolarHBondContact O-N 3.03Å; S52-G54 PolarHBondContact O-N 3.45Å |
| 53 | N | 43.7 | Very low | 45.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -40.5 | 93.7 | -178 | -72.8 | -56.4 | 0 | 0 | 0 | 112.5 | M51 R55 | M51-N53 PolarHBondContact O-N 3.07Å; N53-R55 PolarHBondContact O-N 2.97Å |
| 54 | G | 45.4 | Very low | 46.8 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 88% | 0.876 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 47.4 | 9.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | S52 | S52-G54 PolarHBondContact O-N 3.45Š|
| 55 | R | 43.8 | Very low | 48 | Very low | 215 Ų | 215 | 118.4 Ų | 118.4 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -136.7 | 91.7 | -178.5 | -79.2 | -174.7 | 170.8 | -170.9 | -2.3 | 107.6 | N53 V57 | N53-R55 PolarHBondContact O-N 2.97Å; R55-V57 VanDerWaalsContact C-N 3.29Å; R55-V57 PolarHBondContact O-N 3.03Å |
| 56 | G | 43.1 | Very low | 49 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 92% | 0.918 | 70% | 0.7 | S | S | * | * | | | trans | -63.3 | 75.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 57 | V | 43.6 | Very low | 50.3 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | | | trans | -83.4 | 109.8 | 158.8 | -176.8 | 0 | 0 | 0 | 0 | 106.6 | R55 L59 | R55-V57 VanDerWaalsContact C-N 3.29Å; R55-V57 PolarHBondContact O-N 3.03Å; V57-L59 HydrophobicContact CG1-CD2 4.41Å; V57-L59 PolarHBondContact O-N 3.32Å |
| 58 | A | 47.1 | Very low | 51.2 | Low | 96 Ų | 96 | 115.1 Ų | 115.1 | 79% | 0.793 | 68% | 0.681 | S | S | * | * | | | trans | -63.4 | 99.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | G60 | A58-G60 PolarHBondContact O-N 3.33Š|
| 59 | L | 50.6 | Low | 52.1 | Low | 135 Ų | 135 | 113.7 Ų | 113.7 | 71% | 0.707 | 67% | 0.667 | S | S | * | * | | | trans | -72.6 | 86.2 | 169 | -66.4 | 173.6 | 0 | 0 | 0 | 107.1 | V57 | V57-L59 HydrophobicContact CG1-CD2 4.41Å; V57-L59 PolarHBondContact O-N 3.32Å |
| 60 | G | 44.9 | Very low | 53.1 | Low | 60 Ų | 60 | 114.4 Ų | 114.4 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -52.4 | 136.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | A58 | A58-G60 PolarHBondContact O-N 3.33Š|
| 61 | D | 49.2 | Very low | 54.1 | Low | 138 Ų | 138 | 110.3 Ų | 110.3 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 73.2 | 79.4 | -173.4 | -47.3 | -39.5 | 0 | 0 | 0 | 113.2 | Y63 | D61-Y63 PolarHBondContact O-N 2.78Š|
| 62 | G | 57.6 | Low | 55 | Low | 78 Ų | 78 | 103.8 Ų | 103.8 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | | | trans | -65 | 37.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 63 | Y | 53.1 | Low | 56 | Low | 194 Ų | 194 | 101.6 Ų | 101.6 | 76% | 0.761 | 61% | 0.607 | S | S | * | * | | | trans | -97 | 132.6 | 168.3 | -60.7 | -76.3 | 0 | 0 | 0 | 109.6 | D61 T65 | D61-Y63 PolarHBondContact O-N 2.78Å; Y63-T65 PolarHBondContact O-N 3.01Å |
| 64 | V | 62.2 | Low | 56.9 | Low | 51 Ų | 51 | 98.3 Ų | 98.3 | 31% | 0.309 | 59% | 0.589 | S | S | . | * | | | trans | -71.5 | 101.6 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 107.4 | D66 Q69 M70 I73 | V64-D66 WeakPolarHBondContact CG1-O 3.36Å; V64-Q69 HydrophobicContact CG1-CB 3.39Å; V64-M70 HydrophobicContact CG1-CB 4.12Å; V64-I73 HydrophobicContact CB-CD1 4.37Å; V64-I73 HydrophobicContact CG1-CD1 4.34Å; V64-I73 HydrophobicContact CG2-CD1 3.68Å |
| 65 | T | 63.5 | Low | 57.8 | Low | 133 Ų | 133 | 99.7 Ų | 99.7 | 82% | 0.816 | 57% | 0.572 | S | S | * | * | | | trans | -85.9 | -14.7 | 179.4 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | Y63 | Y63-T65 PolarHBondContact O-N 3.01Š|
| 66 | D | 66.7 | Low | 58.7 | Low | 53 Ų | 53 | 94.7 Ų | 94.7 | 28% | 0.283 | 56% | 0.558 | S | S | . | * | | | trans | -90.9 | 117.3 | 179.9 | 179.7 | -1.9 | 0 | 0 | 0 | 110.8 | V64 Y68 Q69 M70 | V64-D66 WeakPolarHBondContact CG1-O 3.36Å; D66-Y68 PolarHBondContact O-N 3.35Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.44Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.38Å; D66-Y68 PolarHBondContact OD1-N 2.86Å; D66-Q69 HydrophobicContact CB-CB 4.05Å; D66-Q69 HydrophobicContact CB-CG 3.92Å; D66-Q69 PolarHBondContact O-N 2.74Å; D66-Q69 VanDerWaalsContact O-N 3.07Å; D66-Q69 PolarHBondContact OD2-NE2 3.48Å; D66-Q69 VanDerWaalsContact OD2-NE2 3.17Å; D66-M70 PolarHBondContact O-N 3.15Å |
| 67 | P | 65.5 | Low | 59.6 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.5 | -26.9 | 178.6 | 24.7 | -34.2 | 0 | 0 | 0 | 113.4 | M70 A71 | P67-M70 PolarHBondContact O-N 2.99Å; P67-A71 WeakPolarHBondContact O-CB 3.44Å; P67-A71 PolarHBondContact O-N 3.17Å |
| 68 | Y | 67.2 | Low | 60.4 | Low | 161 Ų | 161 | 90.6 Ų | 90.6 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.4 | -37 | 176.1 | -67.7 | -79.8 | 0 | 0 | 0 | 112.1 | D66 A71 S72 | D66-Y68 PolarHBondContact O-N 3.35Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.44Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.38Å; D66-Y68 PolarHBondContact OD1-N 2.86Å; Y68-A71 PolarHBondContact O-N 2.91Å; Y68-S72 PolarHBondContact O-N 3.19Å; Y68-S72 PolarHBondContact O-OG 2.95Å |
| 69 | Q | 66.9 | Low | 60.9 | Low | 81 Ų | 81 | 86.7 Ų | 86.7 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 173.3 | -69.3 | 175.3 | 33.2 | 0 | 0 | 111.2 | V64 D66 A71 S72 I73 | V64-Q69 HydrophobicContact CG1-CB 3.39Å; D66-Q69 HydrophobicContact CB-CB 4.05Å; D66-Q69 HydrophobicContact CB-CG 3.92Å; D66-Q69 PolarHBondContact O-N 2.74Å; D66-Q69 VanDerWaalsContact O-N 3.07Å; D66-Q69 PolarHBondContact OD2-NE2 3.48Å; D66-Q69 VanDerWaalsContact OD2-NE2 3.17Å; Q69-A71 VanDerWaalsContact C-N 3.32Å; Q69-A71 PolarHBondContact O-N 3.47Å; Q69-S72 WeakPolarHBondContact CA-OG 3.43Å; Q69-S72 PolarHBondContact O-N 3.26Å; Q69-S72 PolarHBondContact O-OG 3.09Å; Q69-I73 WeakPolarHBondContact O-CD1 3.36Å; Q69-I73 VanDerWaalsContact O-CG1 3.23Å; Q69-I73 WeakPolarHBondContact O-CG1 3.09Å; Q69-I73 PolarHBondContact O-N 2.97Å; Q69-I73 VanDerWaalsContact O-N 3.17Å |
| 70 | M | 65.2 | Low | 61.1 | Low | 106 Ų | 106 | 86.2 Ų | 86.2 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.5 | -161.9 | 177.7 | -169.4 | 0 | 0 | 111.2 | V64 D66 P67 I73 N74 | V64-M70 HydrophobicContact CG1-CB 4.12Å; D66-M70 PolarHBondContact O-N 3.15Å; P67-M70 PolarHBondContact O-N 2.99Å; M70-I73 PolarHBondContact O-N 3.42Å; M70-N74 WeakPolarHBondContact O-CB 3.4Å; M70-N74 PolarHBondContact O-N 3.07Å; M70-N74 PolarHBondContact O-ND2 3.44Å |
| 71 | A | 64.2 | Low | 61.5 | Low | 28 Ų | 28 | 91.1 Ų | 91.1 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P67 Y68 Q69 Q75 V104 | P67-A71 WeakPolarHBondContact O-CB 3.44Å; P67-A71 PolarHBondContact O-N 3.17Å; Y68-A71 PolarHBondContact O-N 2.91Å; Q69-A71 VanDerWaalsContact C-N 3.32Å; Q69-A71 PolarHBondContact O-N 3.47Å; A71-Q75 WeakPolarHBondContact O-CG 3.4Å; A71-Q75 PolarHBondContact O-N 3.03Å; A71-V104 HydrophobicContact CB-CG1 3.67Å |
| 72 | S | 65.6 | Low | 61.8 | Low | 36 Ų | 36 | 91.8 Ų | 91.8 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 173.6 | 49.7 | 0 | 0 | 0 | 0 | 112 | Y68 Q69 Q75 Q76 V104 | Y68-S72 PolarHBondContact O-N 3.19Å; Y68-S72 PolarHBondContact O-OG 2.95Å; Q69-S72 WeakPolarHBondContact CA-OG 3.43Å; Q69-S72 PolarHBondContact O-N 3.26Å; Q69-S72 PolarHBondContact O-OG 3.09Å; S72-Q75 PolarHBondContact O-N 3.04Å; S72-Q76 WeakPolarHBondContact O-CG 3.45Å; S72-Q76 PolarHBondContact O-N 3.38Å; S72-V104 VanDerWaalsContact CB-CG2 3.4Å |
| 73 | I | 66.2 | Low | 61.5 | Low | 37 Ų | 37 | 92.8 Ų | 92.8 | 19% | 0.19 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.3 | -55.7 | 158.9 | 0 | 0 | 0 | 110.4 | Y50 V64 Q69 M70 Q75 Q76 M77 | Y50-I73 HydrophobicContact CE2-CD1 4.06Å; Y50-I73 HydrophobicContact CE2-CG1 4Å; Y50-I73 WeakPolarHBondContact OH-CD1 3.43Å; Y50-I73 WeakPolarHBondContact OH-CG1 3.26Å; V64-I73 HydrophobicContact CB-CD1 4.37Å; V64-I73 HydrophobicContact CG1-CD1 4.34Å; V64-I73 HydrophobicContact CG2-CD1 3.68Å; Q69-I73 WeakPolarHBondContact O-CD1 3.36Å; Q69-I73 VanDerWaalsContact O-CG1 3.23Å; Q69-I73 WeakPolarHBondContact O-CG1 3.09Å; Q69-I73 PolarHBondContact O-N 2.97Å; Q69-I73 VanDerWaalsContact O-N 3.17Å; M70-I73 PolarHBondContact O-N 3.42Å; I73-Q75 VanDerWaalsContact C-N 3.26Å; I73-Q75 PolarHBondContact O-N 3.17Å; I73-Q76 PolarHBondContact O-N 3.04Å; I73-Q76 VanDerWaalsContact O-N 3.15Å; I73-M77 HydrophobicContact CG2-CE 3.63Å; I73-M77 HydrophobicContact CG2-CG 4.27Å; I73-M77 HydrophobicContact CG2-SD 4.02Å; I73-M77 WeakPolarHBondContact O-CG 3.46Å; I73-M77 PolarHBondContact O-N 3.27Å |
| 74 | N | 63.9 | Low | 61.5 | Low | 85 Ų | 85 | 90.1 Ų | 90.1 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -33.9 | 179.1 | -79.8 | -41.2 | 0 | 0 | 0 | 112.3 | M70 M77 G78 | M70-N74 WeakPolarHBondContact O-CB 3.4Å; M70-N74 PolarHBondContact O-N 3.07Å; M70-N74 PolarHBondContact O-ND2 3.44Å; N74-M77 WeakPolarHBondContact OD1-CE 3.39Å; N74-G78 WeakPolarHBondContact O-CA 3.45Å; N74-G78 PolarHBondContact O-N 2.98Å |
| 75 | Q | 64.7 | Low | 60.9 | Low | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -39.7 | 172.8 | -77.3 | -168.7 | 90.1 | 0 | 0 | 112.9 | A71 S72 I73 M77 G78 G79 | A71-Q75 WeakPolarHBondContact O-CG 3.4Å; A71-Q75 PolarHBondContact O-N 3.03Å; S72-Q75 PolarHBondContact O-N 3.04Å; I73-Q75 VanDerWaalsContact C-N 3.26Å; I73-Q75 PolarHBondContact O-N 3.17Å; Q75-M77 VanDerWaalsContact C-N 3.34Å; Q75-G78 PolarHBondContact O-N 3.17Å; Q75-G79 PolarHBondContact O-N 2.76Å |
| 76 | Q | 62.1 | Low | 60.4 | Low | 110 Ų | 110 | 91.2 Ų | 91.2 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 174.2 | -72.9 | 178.5 | 1.6 | 0 | 0 | 111.2 | S72 I73 | S72-Q76 WeakPolarHBondContact O-CG 3.45Å; S72-Q76 PolarHBondContact O-N 3.38Å; I73-Q76 PolarHBondContact O-N 3.04Å; I73-Q76 VanDerWaalsContact O-N 3.15Å |
| 77 | M | 61.9 | Low | 59.7 | Low | 87 Ų | 87 | 94.8 Ų | 94.8 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.9 | -36.2 | 175.8 | -65.3 | -173.1 | -58.6 | 0 | 0 | 112.4 | I73 N74 Q75 G79 M80 M81 | I73-M77 HydrophobicContact CG2-CE 3.63Å; I73-M77 HydrophobicContact CG2-CG 4.27Å; I73-M77 HydrophobicContact CG2-SD 4.02Å; I73-M77 WeakPolarHBondContact O-CG 3.46Å; I73-M77 PolarHBondContact O-N 3.27Å; N74-M77 WeakPolarHBondContact OD1-CE 3.39Å; Q75-M77 VanDerWaalsContact C-N 3.34Å; M77-G79 VanDerWaalsContact C-N 3.3Å; M77-G79 PolarHBondContact O-N 3.44Å; M77-M80 HydrophobicContact CG-CE 4.3Å; M77-M80 WeakPolarHBondContact O-CA 3.29Å; M77-M80 WeakPolarHBondContact O-CB 3.4Å; M77-M80 PolarHBondContact O-N 3.17Å; M77-M81 PolarHBondContact O-N 3.05Å |
| 78 | G | 59.9 | Low | 58.8 | Low | 26 Ų | 26 | 94.5 Ų | 94.5 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | N74 Q75 M80 M81 | N74-G78 WeakPolarHBondContact O-CA 3.45Å; N74-G78 PolarHBondContact O-N 2.98Å; Q75-G78 PolarHBondContact O-N 3.17Å; G78-M80 PolarHBondContact O-N 2.74Å; G78-M81 PolarHBondContact O-N 2.77Å |
| 79 | G | 58.4 | Low | 58 | Low | 13 Ų | 13 | 93.2 Ų | 93.2 | 13% | 0.134 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.7 | -25.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q75 M77 F83 | Q75-G79 PolarHBondContact O-N 2.76Å; M77-G79 VanDerWaalsContact C-N 3.3Å; M77-G79 PolarHBondContact O-N 3.44Å; G79-F83 WeakPolarHBondContact O-CD2 3.35Å; G79-F83 WeakPolarHBondContact O-CE2 3.45Å |
| 80 | M | 55.3 | Low | 56.9 | Low | 125 Ų | 125 | 92.4 Ų | 92.4 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -82.4 | -19.1 | 173.9 | -55.7 | -163.6 | -61.2 | 0 | 0 | 113.1 | M77 G78 L82 F83 | M77-M80 HydrophobicContact CG-CE 4.3Å; M77-M80 WeakPolarHBondContact O-CA 3.29Å; M77-M80 WeakPolarHBondContact O-CB 3.4Å; M77-M80 PolarHBondContact O-N 3.17Å; G78-M80 PolarHBondContact O-N 2.74Å; M80-L82 PolarHBondContact O-N 2.92Å; M80-F83 PolarHBondContact O-N 3.03Å; M80-F83 VanDerWaalsContact O-N 3.09Å |
| 81 | M | 52.7 | Low | 56.2 | Low | 164 Ų | 164 | 91.3 Ų | 91.3 | 81% | 0.808 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -13.8 | 178.7 | -65.2 | -158.3 | -66.1 | 0 | 0 | 113.9 | M77 G78 F83 | M77-M81 PolarHBondContact O-N 3.05Å; G78-M81 PolarHBondContact O-N 2.77Å; M81-F83 VanDerWaalsContact C-N 3.26Å |
| 82 | L | 54.9 | Low | 55.6 | Low | 152 Ų | 152 | 98.8 Ų | 98.8 | 80% | 0.796 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -9.6 | 169.8 | -73 | 164.1 | 0 | 0 | 0 | 112.6 | M80 | M80-L82 PolarHBondContact O-N 2.92Š|
| 83 | F | 52.1 | Low | 55 | Low | 99 Ų | 99 | 103.6 Ų | 103.6 | 43% | 0.434 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -98.6 | 110.6 | 173.3 | -64.6 | -87.7 | 0 | 0 | 0 | 108.4 | G79 M80 M81 P85 F95 F97 | G79-F83 WeakPolarHBondContact O-CD2 3.35Å; G79-F83 WeakPolarHBondContact O-CE2 3.45Å; M80-F83 PolarHBondContact O-N 3.03Å; M80-F83 VanDerWaalsContact O-N 3.09Å; M81-F83 VanDerWaalsContact C-N 3.26Å; F83-P85 VanDerWaalsContact O-CD 3.26Å; F83-P85 WeakPolarHBondContact O-CD 3.23Å; F83-P85 VanDerWaalsContact O-N 3.17Å; F83-F95 AromaticContact CE1-CD2 3.75Å; F83-F95 HydrophobicContact CE1-CD2 3.75Å; F83-F95 AromaticContact CE1-CE2 3.69Å; F83-F95 HydrophobicContact CE1-CE2 3.69Å; F83-F95 HydrophobicContact CE2-CD2 4.43Å; F83-F95 HydrophobicContact CZ-CB 4.49Å; F83-F95 AromaticContact CZ-CD2 3.34Å; F83-F95 HydrophobicContact CZ-CD2 3.34Å; F83-F95 AromaticContact CZ-CE2 3.69Å; F83-F95 HydrophobicContact CZ-CE2 3.69Å; F83-F95 HydrophobicContact CZ-CG 4.05Å; F83-F97 HydrophobicContact CE2-CE2 4.32Å; F83-F97 HydrophobicContact CE2-CZ 4.49Å |
| 84 | E | 52 | Low | 54.3 | Low | 138 Ų | 138 | 108.6 Ų | 108.6 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | | | trans | -60.4 | 112.6 | 171.7 | -166.7 | 172.7 | 178.1 | 0 | 0 | 109.1 | G86 L87 | E84-G86 PolarHBondContact O-N 3.36Å; E84-L87 HydrophobicContact CG-CD1 4.33Å; E84-L87 WeakPolarHBondContact OE1-CD1 3.37Å; E84-L87 VanDerWaalsContact OE2-CD1 3.32Å; E84-L87 WeakPolarHBondContact OE2-CD1 3.45Å |
| 85 | P | 50.6 | Low | 53.9 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 86% | 0.864 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 100.9 | -178.2 | 29.5 | -30.3 | 0 | 0 | 0 | 107.8 | F83 | F83-P85 VanDerWaalsContact O-CD 3.26Å; F83-P85 WeakPolarHBondContact O-CD 3.23Å; F83-P85 VanDerWaalsContact O-N 3.17Å |
| 86 | G | 52.8 | Low | 53.7 | Low | 74 Ų | 74 | 110.5 Ų | 110.5 | 76% | 0.763 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.6 | -8.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117 | E84 | E84-G86 PolarHBondContact O-N 3.36Š|
| 87 | L | 52.2 | Low | 53.8 | Low | 127 Ų | 127 | 111.7 Ų | 111.7 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -110.2 | -6.3 | -178.8 | -66.2 | -176.5 | 0 | 0 | 0 | 115.4 | E84 S89 | E84-L87 HydrophobicContact CG-CD1 4.33Å; E84-L87 WeakPolarHBondContact OE1-CD1 3.37Å; E84-L87 VanDerWaalsContact OE2-CD1 3.32Å; E84-L87 WeakPolarHBondContact OE2-CD1 3.45Å; L87-S89 PolarHBondContact O-N 3.43Å |
| 88 | S | 45.7 | Very low | 53.9 | Low | 89 Ų | 89 | 115 Ų | 115 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | | | trans | -99.4 | 87.8 | 179 | -166.7 | 0 | 0 | 0 | 0 | 112 | A90 | S88-A90 PolarHBondContact O-N 3.22Å; S88-A90 PolarHBondContact OG-N 2.9Å; S88-A90 PolarHBondContact OG-O 3.01Å |
| 89 | S | 49.9 | Very low | 53.9 | Low | 133 Ų | 133 | 118.1 Ų | 118.1 | 93% | 0.93 | 66% | 0.657 | S | S | * | * | | | trans | -75.9 | 0.1 | 154.9 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | L87 | L87-S89 PolarHBondContact O-N 3.43Š|
| 90 | A | 45.3 | Very low | 54.2 | Low | 64 Ų | 64 | 124.2 Ų | 124.2 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -84.1 | 134.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S88 | S88-A90 PolarHBondContact O-N 3.22Å; S88-A90 PolarHBondContact OG-N 2.9Å; S88-A90 PolarHBondContact OG-O 3.01Å |
| 91 | S | 49.7 | Very low | 54.5 | Low | 84 Ų | 84 | 125.2 Ų | 125.2 | 59% | 0.587 | 69% | 0.693 | S | S | * | * | | | trans | -27.6 | 132.8 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | Q93 | S91-Q93 VanDerWaalsContact C-N 3.25Å; S91-Q93 PolarHBondContact O-N 3.1Å |
| 92 | H | 52.6 | Low | 54.9 | Low | 185 Ų | 185 | 119 Ų | 119 | 86% | 0.856 | 67% | 0.671 | S | S | * | * | | | trans | -46 | 92.7 | 162 | -77 | 105 | 0 | 0 | 0 | 109.1 | D94 | H92-D94 PolarHBondContact O-N 2.78Š|
| 93 | Q | 51.9 | Low | 54.9 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 64% | 0.64 | 67% | 0.672 | S | S | * | * | | | trans | -75.5 | 105.8 | 163.6 | -70.5 | -83.3 | 4.1 | 0 | 0 | 103.1 | S91 F95 | S91-Q93 VanDerWaalsContact C-N 3.25Å; S91-Q93 PolarHBondContact O-N 3.1Å; Q93-F95 HydrophobicContact CB-CD2 4.19Å; Q93-F95 HydrophobicContact CB-CE2 3.68Å; Q93-F95 HydrophobicContact CB-CZ 4.04Å; Q93-F95 WeakPolarHBondContact O-CD2 2.83Å; Q93-F95 PolarHBondContact O-N 2.66Å |
| 94 | D | 52 | Low | 55 | Low | 142 Ų | 142 | 114.2 Ų | 114.2 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | | | trans | -62.7 | 83.4 | -179.7 | -69.4 | -47.9 | 0 | 0 | 0 | 109.8 | H92 V96 | H92-D94 PolarHBondContact O-N 2.78Å; D94-V96 VanDerWaalsContact C-N 3.35Å; D94-V96 PolarHBondContact O-N 2.75Å |
| 95 | F | 56 | Low | 54.9 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 55% | 0.553 | 65% | 0.649 | S | S | * | * | | | trans | -72.3 | 93.8 | 172.4 | -67.9 | -76.5 | 0 | 0 | 0 | 108.5 | F83 Q93 F97 | F83-F95 AromaticContact CE1-CD2 3.75Å; F83-F95 HydrophobicContact CE1-CD2 3.75Å; F83-F95 AromaticContact CE1-CE2 3.69Å; F83-F95 HydrophobicContact CE1-CE2 3.69Å; F83-F95 HydrophobicContact CE2-CD2 4.43Å; F83-F95 HydrophobicContact CZ-CB 4.49Å; F83-F95 AromaticContact CZ-CD2 3.34Å; F83-F95 HydrophobicContact CZ-CD2 3.34Å; F83-F95 AromaticContact CZ-CE2 3.69Å; F83-F95 HydrophobicContact CZ-CE2 3.69Å; F83-F95 HydrophobicContact CZ-CG 4.05Å; Q93-F95 HydrophobicContact CB-CD2 4.19Å; Q93-F95 HydrophobicContact CB-CE2 3.68Å; Q93-F95 HydrophobicContact CB-CZ 4.04Å; Q93-F95 WeakPolarHBondContact O-CD2 2.83Å; Q93-F95 PolarHBondContact O-N 2.66Å; F95-F97 HydrophobicContact CB-CD2 4.41Å; F95-F97 HydrophobicContact CB-CE2 3.91Å; F95-F97 HydrophobicContact CB-CZ 4.32Å; F95-F97 PolarHBondContact O-N 2.96Å |
| 96 | V | 60.2 | Low | 55 | Low | 113 Ų | 113 | 106.6 Ų | 106.6 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | | | trans | -78.4 | 97.9 | 169.2 | -175 | 0 | 0 | 0 | 0 | 108.3 | D94 Q98 | D94-V96 VanDerWaalsContact C-N 3.35Å; D94-V96 PolarHBondContact O-N 2.75Å; V96-Q98 HydrophobicContact CG1-CG 3.91Å; V96-Q98 PolarHBondContact O-N 3.42Å |
| 97 | F | 63.2 | Low | 54.8 | Low | 135 Ų | 135 | 108.5 Ų | 108.5 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | | | trans | -72.4 | 96.3 | 168.6 | -67.9 | -80.4 | 0 | 0 | 0 | 109.4 | F83 F95 | F83-F97 HydrophobicContact CE2-CE2 4.32Å; F83-F97 HydrophobicContact CE2-CZ 4.49Å; F95-F97 HydrophobicContact CB-CD2 4.41Å; F95-F97 HydrophobicContact CB-CE2 3.91Å; F95-F97 HydrophobicContact CB-CZ 4.32Å; F95-F97 PolarHBondContact O-N 2.96Å |
| 98 | Q | 65.2 | Low | 54.9 | Low | 157 Ų | 157 | 109.4 Ų | 109.4 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | | | trans | -82.2 | 125.4 | 168.9 | -64.9 | -176.4 | 46.3 | 0 | 0 | 109.2 | V96 T100 | V96-Q98 HydrophobicContact CG1-CG 3.91Å; V96-Q98 PolarHBondContact O-N 3.42Å; Q98-T100 PolarHBondContact O-N 3.34Å; Q98-T100 VanDerWaalsContact O-N 3.17Å |
| 99 | P | 58.5 | Low | 55.2 | Low | 90 Ų | 90 | 111.4 Ų | 111.4 | 58% | 0.584 | 62% | 0.621 | S | S | * | * | | | trans | -64.6 | 119.2 | 172.7 | 24.8 | -30.3 | 0 | 0 | 0 | 109.4 | K101 G102 | P99-K101 PolarHBondContact O-N 2.89Å; P99-K101 VanDerWaalsContact O-N 3.09Å; P99-G102 WeakPolarHBondContact CB-O 3.02Å |
| 100 | T | 65 | Low | 55 | Low | 142 Ų | 142 | 114.7 Ų | 114.7 | 87% | 0.871 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -9.8 | -177.9 | 40.3 | 0 | 0 | 0 | 0 | 114 | Q98 | Q98-T100 PolarHBondContact O-N 3.34Å; Q98-T100 VanDerWaalsContact O-N 3.17Å |
| 101 | K | 61.3 | Low | 55.1 | Low | 145 Ų | 145 | 115.3 Ų | 115.3 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 22 | -172.2 | -61 | -177.2 | -175.8 | 168.8 | 0 | 114.6 | P99 V105 | P99-K101 PolarHBondContact O-N 2.89Å; P99-K101 VanDerWaalsContact O-N 3.09Å; K101-V105 HydrophobicContact CB-CB 4.49Å; K101-V105 HydrophobicContact CB-CG2 3.97Å; K101-V105 VanDerWaalsContact O-CG2 3.29Å; K101-V105 WeakPolarHBondContact O-CG2 3.08Å |
| 102 | G | 60.9 | Low | 55 | Low | 33 Ų | 33 | 121.8 Ų | 121.8 | 34% | 0.34 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 88.4 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P99 V104 | P99-G102 WeakPolarHBondContact CB-O 3.02Å; G102-V104 PolarHBondContact O-N 2.95Å |
| 103 | P | 55.4 | Low | 54.8 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 83% | 0.825 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 110 | -173.6 | 25.9 | -32.5 | 0 | 0 | 0 | 110.3 | | |
| 104 | V | 54.2 | Low | 54.7 | Low | 25 Ų | 25 | 118.6 Ų | 118.6 | 15% | 0.152 | 64% | 0.641 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 51.1 | 71.3 | 171.4 | -166.8 | 0 | 0 | 0 | 0 | 113.3 | A71 S72 G102 G106 | A71-V104 HydrophobicContact CB-CG1 3.67Å; S72-V104 VanDerWaalsContact CB-CG2 3.4Å; G102-V104 PolarHBondContact O-N 2.95Å; V104-G106 PolarHBondContact O-N 3.25Å |
| 105 | V | 51.2 | Low | 54.6 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | | | trans | -76.2 | 88.7 | 153.3 | -177.7 | 0 | 0 | 0 | 0 | 106 | K101 D107 | K101-V105 HydrophobicContact CB-CB 4.49Å; K101-V105 HydrophobicContact CB-CG2 3.97Å; K101-V105 VanDerWaalsContact O-CG2 3.29Å; K101-V105 WeakPolarHBondContact O-CG2 3.08Å; V105-D107 VanDerWaalsContact C-N 3.29Å; V105-D107 PolarHBondContact O-N 2.94Å |
| 106 | G | 52 | Low | 54.2 | Low | 35 Ų | 35 | 120.3 Ų | 120.3 | 36% | 0.361 | 66% | 0.659 | S | S | . | * | | | trans | -58.3 | 103 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | V104 F108 | V104-G106 PolarHBondContact O-N 3.25Å; G106-F108 PolarHBondContact O-N 3.07Å |
| 107 | D | 48.8 | Very low | 53.7 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | | | trans | -65.2 | 61.3 | 158.1 | -78.3 | -34.1 | 0 | 0 | 0 | 107.3 | V105 N109 | V105-D107 VanDerWaalsContact C-N 3.29Å; V105-D107 PolarHBondContact O-N 2.94Å; D107-N109 PolarHBondContact O-N 3.44Å; D107-N109 PolarHBondContact O-ND2 2.55Å |
| 108 | F | 54.5 | Low | 53 | Low | 146 Ų | 146 | 122.8 Ų | 122.8 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | | | trans | -67.1 | 78.1 | 162.3 | -75.7 | -63.5 | 0 | 0 | 0 | 105.5 | G106 Y110 | G106-F108 PolarHBondContact O-N 3.07Å; F108-Y110 HydrophobicContact CB-CD2 3.86Å; F108-Y110 HydrophobicContact CB-CE2 4.34Å; F108-Y110 AromaticContact CD1-CD2 3.78Å; F108-Y110 HydrophobicContact CD1-CD2 3.78Å; F108-Y110 AromaticContact CD1-CE2 3.37Å; F108-Y110 HydrophobicContact CD1-CE2 3.37Å; F108-Y110 HydrophobicContact CE1-CE2 4.04Å; F108-Y110 HydrophobicContact CG-CD2 4.21Å; F108-Y110 HydrophobicContact CG-CE2 4.25Å; F108-Y110 PolarHBondContact O-N 3.29Å |
| 109 | N | 51.3 | Low | 52.4 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | | | trans | -65.2 | 56 | 164.4 | -79.4 | -81.1 | 0 | 0 | 0 | 109 | D107 | D107-N109 PolarHBondContact O-N 3.44Å; D107-N109 PolarHBondContact O-ND2 2.55Å |
| 110 | Y | 45.1 | Very low | 52.2 | Low | 203 Ų | 203 | 120.9 Ų | 120.9 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -97.7 | 87.1 | 163 | -65.6 | -61.5 | 0 | 0 | 0 | 106 | F108 | F108-Y110 HydrophobicContact CB-CD2 3.86Å; F108-Y110 HydrophobicContact CB-CE2 4.34Å; F108-Y110 AromaticContact CD1-CD2 3.78Å; F108-Y110 HydrophobicContact CD1-CD2 3.78Å; F108-Y110 AromaticContact CD1-CE2 3.37Å; F108-Y110 HydrophobicContact CD1-CE2 3.37Å; F108-Y110 HydrophobicContact CE1-CE2 4.04Å; F108-Y110 HydrophobicContact CG-CD2 4.21Å; F108-Y110 HydrophobicContact CG-CE2 4.25Å; F108-Y110 PolarHBondContact O-N 3.29Å |
| 111 | G | 48.9 | Very low | 51.7 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 123.7 | 9.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 112 | R | 46.9 | Very low | 51.1 | Low | 220 Ų | 220 | 121.8 Ų | 121.8 | 83% | 0.83 | 69% | 0.685 | S | S | * | * | | | trans | -124.2 | 65.4 | 167.3 | -124.7 | -166.4 | -72.1 | -169.9 | -0.3 | 113.3 | Q114 | R112-Q114 PolarHBondContact O-N 3.26Š|
| 113 | G | 48.3 | Very low | 50.9 | Low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | -50 | 133.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 114 | Q | 49.5 | Very low | 51.3 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | | | trans | 76.9 | 81.4 | 165.7 | -47.4 | -172 | 62.8 | 0 | 0 | 117.1 | R112 | R112-Q114 PolarHBondContact O-N 3.26Š|
| 115 | R | 49.7 | Very low | 51.4 | Low | 223 Ų | 223 | 144 Ų | 144 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | | -148.8 | 42.4 | 129 | -136.5 | 179.4 | -171.2 | -169.2 | 5.5 | 113 | | |
| 116 | G | 48.8 | Very low | 51.4 | Low | 82 Ų | 82 | 147.4 Ų | 147.4 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -83 | 123.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 117 | G | 49.5 | Very low | 51.4 | Low | 67 Ų | 67 | 153.3 Ų | 153.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | 111.2 | 68.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S119 | G117-S119 PolarHBondContact O-N 3.09Š|
| 118 | R | 48.4 | Very low | 51.5 | Low | 233 Ų | 233 | 155.4 Ų | 155.4 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -75.9 | 73.5 | 137.7 | -91.2 | -177.4 | 177.2 | 170.4 | -1.9 | 107 | S120 | R118-S120 PolarHBondContact O-N 2.83Š|
| 119 | S | 51.7 | Low | 51.3 | Low | 85 Ų | 85 | 156 Ų | 156 | 59% | 0.594 | 81% | 0.812 | S | S | * | * | | | trans | -65 | 123.4 | 162 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | G117 R121 | G117-S119 PolarHBondContact O-N 3.09Å; S119-R121 PolarHBondContact O-N 2.85Å |
| 120 | S | 54.2 | Low | 51.4 | Low | 122 Ų | 122 | 157.6 Ų | 157.6 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -43.4 | 103.8 | 170.8 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | R118 | R118-S120 PolarHBondContact O-N 2.83Š|
| 121 | R | 55.8 | Low | 51.8 | Low | 232 Ų | 232 | 154.6 Ų | 154.6 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | | | trans | -137.4 | 111.8 | 164.9 | -69.8 | -171.1 | -156.4 | 155.9 | 5.3 | 108.2 | S119 | S119-R121 PolarHBondContact O-N 2.85Š|
| 122 | G | 47.8 | Very low | 52 | Low | 73 Ų | 73 | 160.2 Ų | 160.2 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | 134.6 | 64.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 123 | R | 57 | Low | 52.4 | Low | 247 Ų | 247 | 155.6 Ų | 155.6 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | | | trans | -92.2 | 113.2 | 145.6 | -95.6 | -179.3 | 142.5 | -147.6 | -4.7 | 106.1 | | |
| 124 | P | 64.8 | Low | 52.7 | Low | 111 Ų | 111 | 163 Ų | 163 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | | | trans | -70.7 | 141.4 | 157.6 | 19.9 | -11.2 | 0 | 0 | 0 | 108.7 | | |
| 125 | Y | 55.4 | Low | 53 | Low | 293 Ų | 293 | 160.7 Ų | 160.7 | 100% | 1.149 | 83% | 0.83 | S | S | * | * | | | trans | -57.5 | 0 | 163.8 | 36.5 | -96 | 0 | 0 | 0 | 111.3 | | |