| 1 | M | 41.1 | Very low | 48.5 | Very low | 246 Ų | 246 | 158 Ų | 158 | 100% | 1.212 | 86% | 0.858 | S | S | * | * | | | | 0 | 115.6 | 0 | -96.1 | 141.9 | 118.3 | 0 | 0 | 108.4 | | |
| 2 | M | 41.5 | Very low | 48.7 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 89% | 0.892 | 84% | 0.839 | S | S | * | * | | | trans | -107.3 | 116.4 | 173.7 | -74.6 | -176.5 | -78.1 | 0 | 0 | 107.8 | L4 | M2-L4 PolarHBondContact O-N 3.06Š|
| 3 | N | 46.7 | Very low | 48.7 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | | | trans | -91.7 | 97.2 | -177.8 | -143.1 | -16.4 | 0 | 0 | 0 | 107.5 | S5 | N3-S5 PolarHBondContact O-N 3.05Š|
| 4 | L | 53.6 | Low | 48.6 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 78% | 0.775 | 84% | 0.836 | S | S | * | * | | | trans | -83 | 91.7 | 179 | -64.4 | 174.4 | 0 | 0 | 0 | 108.4 | M2 L6 | M2-L4 PolarHBondContact O-N 3.06Å; L4-L6 PolarHBondContact O-N 3.06Å |
| 5 | S | 50.3 | Low | 48.5 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 72% | 0.72 | 84% | 0.841 | S | S | * | * | | | trans | -73.9 | 104.2 | 173.4 | -174 | 0 | 0 | 0 | 0 | 109.5 | N3 K7 | N3-S5 PolarHBondContact O-N 3.05Å; S5-K7 PolarHBondContact O-N 2.87Å |
| 6 | L | 56.8 | Low | 48.3 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | | | trans | -71.8 | 93.2 | 168.8 | -82.5 | 98.6 | 0 | 0 | 0 | 108.9 | L4 G8 | L4-L6 PolarHBondContact O-N 3.06Å; L6-G8 PolarHBondContact O-N 2.94Å |
| 7 | K | 48.8 | Very low | 48 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | | | trans | -67.9 | 101.8 | 161.6 | -76 | -169.7 | 175.7 | -176.4 | 0 | 107.6 | S5 S9 | S5-K7 PolarHBondContact O-N 2.87Å; K7-S9 PolarHBondContact O-N 3.32Å |
| 8 | G | 49.1 | Very low | 47.8 | Very low | 72 Ų | 72 | 146.6 Ų | 146.6 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | | | trans | -52.7 | 120.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L6 Q10 | L6-G8 PolarHBondContact O-N 2.94Å; G8-Q10 PolarHBondContact O-N 2.82Å |
| 9 | S | 48 | Very low | 47.5 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -69.4 | 109.4 | 171.6 | -83.5 | 0 | 0 | 0 | 0 | 108.3 | K7 I11 | K7-S9 PolarHBondContact O-N 3.32Å; S9-I11 PolarHBondContact O-N 2.7Å |
| 10 | Q | 49.2 | Very low | 47.3 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -66.5 | 103.1 | 169.9 | -111.5 | 178 | -8.9 | 0 | 0 | 108.2 | G8 S12 | G8-Q10 PolarHBondContact O-N 2.82Å; Q10-S12 PolarHBondContact O-N 2.87Å |
| 11 | I | 48 | Very low | 47 | Very low | 157 Ų | 157 | 140 Ų | 140 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | trans | -71.6 | 111.3 | 169.2 | -59.2 | 166.4 | 0 | 0 | 0 | 105.9 | S9 | S9-I11 PolarHBondContact O-N 2.7Š|
| 12 | S | 51.1 | Low | 47 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -66.9 | 134.8 | 175.2 | 42.6 | 0 | 0 | 0 | 0 | 109.5 | Q10 C14 | Q10-S12 PolarHBondContact O-N 2.87Å; S12-C14 PolarHBondContact O-N 2.73Å |
| 13 | P | 49.3 | Very low | 47 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -61.7 | 110.4 | 176.4 | -19.8 | 30.4 | 0 | 0 | 0 | 109.7 | K15 | P13-K15 PolarHBondContact O-N 3.01Š|
| 14 | C | 47 | Very low | 47 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -63.1 | 104.4 | 169.3 | -64.1 | 0 | 0 | 0 | 0 | 107.9 | S12 S16 | S12-C14 PolarHBondContact O-N 2.73Å; C14-S16 PolarHBondContact O-N 3.4Å |
| 15 | K | 46.7 | Very low | 46.6 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -65 | 100.2 | 174.1 | -122.6 | 174.1 | -176.9 | 177 | 0 | 107.9 | P13 A17 | P13-K15 PolarHBondContact O-N 3.01Å; K15-A17 PolarHBondContact O-N 2.94Å |
| 16 | S | 44.9 | Very low | 46.2 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -72.2 | 107.1 | 178.1 | -158.3 | 0 | 0 | 0 | 0 | 109.1 | C14 I18 | C14-S16 PolarHBondContact O-N 3.4Å; S16-I18 PolarHBondContact O-N 3.17Å; S16-I18 VanDerWaalsContact O-N 3.15Å |
| 17 | A | 44.3 | Very low | 45.5 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -79.2 | 91 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K15 S19 | K15-A17 PolarHBondContact O-N 2.94Å; A17-S19 PolarHBondContact O-N 2.85Å |
| 18 | I | 44 | Very low | 44.9 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -70.8 | 98.5 | 168.8 | -58.4 | 170.5 | 0 | 0 | 0 | 106.9 | S16 S20 | S16-I18 PolarHBondContact O-N 3.17Å; S16-I18 VanDerWaalsContact O-N 3.15Å; I18-S20 VanDerWaalsContact C-N 3.27Å; I18-S20 PolarHBondContact O-N 3.02Å |
| 19 | S | 42 | Very low | 44.3 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -71.2 | 85.7 | 168.2 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | A17 S21 | A17-S19 PolarHBondContact O-N 2.85Å; S19-S21 PolarHBondContact O-N 3.15Å; S19-S21 VanDerWaalsContact O-N 3.14Å |
| 20 | S | 43.2 | Very low | 44.1 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | | | trans | -77.7 | 95.9 | 171.4 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | I18 R22 | I18-S20 VanDerWaalsContact C-N 3.27Å; I18-S20 PolarHBondContact O-N 3.02Å; S20-R22 PolarHBondContact O-N 2.76Å |
| 21 | S | 41.2 | Very low | 43.5 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 79.6 | 160.2 | 42 | 0 | 0 | 0 | 0 | 108.2 | S19 L23 | S19-S21 PolarHBondContact O-N 3.15Å; S19-S21 VanDerWaalsContact O-N 3.14Å; S21-L23 PolarHBondContact O-N 2.73Å |
| 22 | R | 40.7 | Very low | 42.9 | Very low | 229 Ų | 229 | 138.8 Ų | 138.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -64.3 | 102.9 | 165.1 | -92.1 | -171.3 | -169.8 | -156.6 | 1.7 | 107.6 | S20 | S20-R22 PolarHBondContact O-N 2.76Š|
| 23 | L | 42.5 | Very low | 42.4 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -52.3 | 137.7 | 158.4 | -72.7 | 164.7 | 0 | 0 | 0 | 107.9 | S21 A25 | S21-L23 PolarHBondContact O-N 2.73Å; L23-A25 PolarHBondContact O-N 3.18Å |
| 24 | P | 46.5 | Very low | 41.8 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -60.8 | 109.2 | -178.1 | 23.9 | -31.9 | 0 | 0 | 0 | 108.8 | K26 | P24-K26 PolarHBondContact O-N 2.99Š|
| 25 | A | 45.7 | Very low | 41.4 | Very low | 83 Ų | 83 | 151.1 Ų | 151.1 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | -58.8 | 121.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | L23 I27 | L23-A25 PolarHBondContact O-N 3.18Å; A25-I27 WeakPolarHBondContact O-CG1 3.46Å; A25-I27 PolarHBondContact O-N 2.85Å |
| 26 | K | 40.3 | Very low | 41.1 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | | | trans | -54.3 | 104.4 | 170.7 | -84.2 | -179.4 | -179.2 | 179.7 | 0 | 107.4 | P24 Y28 | P24-K26 PolarHBondContact O-N 2.99Å; K26-Y28 PolarHBondContact O-N 3.34Å; K26-Y28 VanDerWaalsContact O-N 3.07Å |
| 27 | I | 43.5 | Very low | 40.8 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -73.1 | 102.1 | 176.3 | -57 | 177 | 0 | 0 | 0 | 105.8 | A25 N29 | A25-I27 WeakPolarHBondContact O-CG1 3.46Å; A25-I27 PolarHBondContact O-N 2.85Å; I27-N29 PolarHBondContact O-N 2.92Å; I27-N29 VanDerWaalsContact O-N 3.15Å |
| 28 | Y | 36.4 | Very low | 40.5 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -67.1 | 106.1 | 159.3 | -74.2 | -85.9 | 0 | 0 | 0 | 106.7 | K26 | K26-Y28 PolarHBondContact O-N 3.34Å; K26-Y28 VanDerWaalsContact O-N 3.07Å |
| 29 | N | 35.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | | | trans | -80.3 | 116.2 | 173.3 | 162.2 | 31.8 | 0 | 0 | 0 | 108.8 | I27 | I27-N29 PolarHBondContact O-N 2.92Å; I27-N29 VanDerWaalsContact O-N 3.15Å |
| 30 | E | 43.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -137.9 | -2.8 | 155.8 | -72.2 | -165.7 | 166.1 | 0 | 0 | 115.6 | | |
| 31 | N | 37.1 | Very low | 40.4 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -131.5 | 87.4 | 177.9 | -74.7 | -46.2 | 0 | 0 | 0 | 112.3 | R33 | N31-R33 PolarHBondContact O-N 2.77Š|
| 32 | S | 35.6 | Very low | 40.5 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -60.8 | 91 | 170.4 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 33 | R | 41.5 | Very low | 40.7 | Very low | 239 Ų | 239 | 153.1 Ų | 153.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -126.8 | 78.8 | 155.8 | -152.6 | 171.8 | -174.9 | -179.5 | 1.5 | 109.3 | N31 R35 | N31-R33 PolarHBondContact O-N 2.77Å; R33-R35 PolarHBondContact O-N 3.23Å; R33-R35 VanDerWaalsContact O-N 3.16Å |
| 34 | T | 36.2 | Very low | 40.9 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | -43 | 111.1 | 166.6 | 42.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 35 | R | 38.1 | Very low | 40.6 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -121.5 | 96.9 | 144.8 | -105.3 | -174.2 | 172.2 | 178 | -1.7 | 106.7 | R33 G37 | R33-R35 PolarHBondContact O-N 3.23Å; R33-R35 VanDerWaalsContact O-N 3.16Å; R35-G37 VanDerWaalsContact C-N 3.33Å; R35-G37 PolarHBondContact O-N 2.75Å |
| 36 | N | 39.6 | Very low | 40.4 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -63.2 | 89.6 | 176.2 | -62.2 | -36.4 | 0 | 0 | 0 | 109.3 | | |
| 37 | G | 39.3 | Very low | 40.9 | Very low | 65 Ų | 65 | 150.2 Ų | 150.2 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | -100 | 81.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | R35 V39 | R35-G37 VanDerWaalsContact C-N 3.33Å; R35-G37 PolarHBondContact O-N 2.75Å; G37-V39 PolarHBondContact O-N 2.73Å |
| 38 | T | 37.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 152.1 Ų | 152.1 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -68.3 | 98.8 | 171.5 | -52.7 | 0 | 0 | 0 | 0 | 108.6 | N40 | T38-N40 PolarHBondContact O-N 2.93Š|
| 39 | V | 41.4 | Very low | 41.1 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -90.4 | 101.9 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | G37 I41 | G37-V39 PolarHBondContact O-N 2.73Å; V39-I41 HydrophobicContact CG1-CG1 4.37Å; V39-I41 PolarHBondContact O-N 3.04Å; V39-I41 VanDerWaalsContact O-N 3.11Å |
| 40 | N | 39.7 | Very low | 41.4 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 100.3 | 170.9 | -80 | -21.6 | 0 | 0 | 0 | 109.7 | T38 R42 | T38-N40 PolarHBondContact O-N 2.93Å; N40-R42 PolarHBondContact O-N 2.65Å |
| 41 | I | 47.5 | Very low | 41.3 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -77.8 | 99.9 | 172.5 | -55.3 | 174.8 | 0 | 0 | 0 | 107.7 | V39 N43 | V39-I41 HydrophobicContact CG1-CG1 4.37Å; V39-I41 PolarHBondContact O-N 3.04Å; V39-I41 VanDerWaalsContact O-N 3.11Å; I41-N43 PolarHBondContact O-N 3.15Å |
| 42 | R | 41.5 | Very low | 41.4 | Very low | 234 Ų | 234 | 146.1 Ų | 146.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -71.9 | 106.1 | 169.8 | -76.1 | -176.9 | -85.2 | -178.4 | -5.1 | 108.5 | N40 N44 | N40-R42 PolarHBondContact O-N 2.65Å; R42-N44 PolarHBondContact O-N 3.07Å |
| 43 | N | 45.9 | Very low | 41.7 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -73.6 | 99.7 | 175.7 | -154.3 | 6.5 | 0 | 0 | 0 | 108.3 | I41 G45 | I41-N43 PolarHBondContact O-N 3.15Å; N43-G45 PolarHBondContact O-N 3.06Å |
| 44 | N | 46.4 | Very low | 41.7 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -85.9 | 105 | 177.8 | -137.3 | 17.2 | 0 | 0 | 0 | 107.9 | R42 N46 | R42-N44 PolarHBondContact O-N 3.07Å; N44-N46 PolarHBondContact O-N 2.94Å |
| 45 | G | 39.8 | Very low | 42.3 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | | | trans | -66.9 | 96.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N43 | N43-G45 PolarHBondContact O-N 3.06Š|
| 46 | N | 41.7 | Very low | 42.4 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -110.1 | 90.1 | 158.7 | -72.4 | 1 | 0 | 0 | 0 | 107.2 | N44 F48 | N44-N46 PolarHBondContact O-N 2.94Å; N46-F48 PolarHBondContact O-N 2.84Å |
| 47 | S | 50.8 | Low | 42.5 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 102.4 | 169.2 | -60.9 | 0 | 0 | 0 | 0 | 108.2 | Q49 | S47-Q49 PolarHBondContact O-N 2.82Š|
| 48 | F | 47.1 | Very low | 42.5 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | -74.7 | 105.6 | 179 | -152.3 | -92.3 | 0 | 0 | 0 | 108.4 | N46 G50 | N46-F48 PolarHBondContact O-N 2.84Å; F48-G50 VanDerWaalsContact C-N 3.34Å; F48-G50 PolarHBondContact O-N 2.79Å |
| 49 | Q | 37.5 | Very low | 42.9 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | | | trans | -78.8 | 88.4 | 173.8 | -163.2 | 161.8 | 13.2 | 0 | 0 | 107.7 | S47 | S47-Q49 PolarHBondContact O-N 2.82Š|
| 50 | G | 40.7 | Very low | 43.1 | Very low | 40 Ų | 40 | 133 Ų | 133 | 41% | 0.412 | 78% | 0.78 | S | S | . | * | | | trans | -66.1 | 154.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F48 E52 | F48-G50 VanDerWaalsContact C-N 3.34Å; F48-G50 PolarHBondContact O-N 2.79Å; G50-E52 PolarHBondContact O-N 2.95Å |
| 51 | P | 42.7 | Very low | 43.5 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 130.3 | 179.7 | 22.9 | -30.5 | 0 | 0 | 0 | 111.2 | V53 | P51-V53 PolarHBondContact O-N 2.99Å; P51-V53 VanDerWaalsContact O-N 3.1Å |
| 52 | E | 38.2 | Very low | 43.4 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | -61.2 | 109.2 | 173.3 | -74.3 | -174.4 | 156.9 | 0 | 0 | 109.5 | G50 S54 | G50-E52 PolarHBondContact O-N 2.95Å; E52-S54 PolarHBondContact O-N 2.86Å |
| 53 | V | 42.6 | Very low | 43.8 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -90.5 | 103.5 | 172.5 | -137.7 | 0 | 0 | 0 | 0 | 107.2 | P51 | P51-V53 PolarHBondContact O-N 2.99Å; P51-V53 VanDerWaalsContact O-N 3.1Å |
| 54 | S | 41.9 | Very low | 43.8 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -58 | 132.9 | 170.9 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | E52 S56 | E52-S54 PolarHBondContact O-N 2.86Å; S54-S56 PolarHBondContact O-N 3.18Å |
| 55 | P | 47.7 | Very low | 43.9 | Very low | 135 Ų | 135 | 135 Ų | 135 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -68.6 | 95.6 | 178.5 | 26.3 | -32 | 0 | 0 | 0 | 109.6 | A57 | P55-A57 PolarHBondContact O-N 2.93Š|
| 56 | S | 40.2 | Very low | 44.6 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -80.1 | 112.7 | 173.6 | -164.9 | 0 | 0 | 0 | 0 | 109.9 | S54 | S54-S56 PolarHBondContact O-N 3.18Š|
| 57 | A | 42.5 | Very low | 45 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | 26.5 | 100.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | P55 A59 | P55-A57 PolarHBondContact O-N 2.93Å; A57-A59 PolarHBondContact O-N 2.96Å |
| 58 | S | 40.4 | Very low | 45.3 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -9.5 | 94.5 | 151.2 | 177.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 59 | A | 45.6 | Very low | 45.6 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -63.8 | 141.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A57 L61 | A57-A59 PolarHBondContact O-N 2.96Å; A59-L61 PolarHBondContact O-N 2.73Å |
| 60 | P | 44.8 | Very low | 46.5 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | trans | -60 | 124.3 | -174.5 | 22 | -31.1 | 0 | 0 | 0 | 110.5 | V62 | P60-V62 VanDerWaalsContact C-N 3.29Å; P60-V62 PolarHBondContact O-N 2.85Å |
| 61 | L | 47.3 | Very low | 47.1 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -49.9 | 91.4 | 168.3 | -90 | 133.3 | 0 | 0 | 0 | 109.5 | A59 K63 | A59-L61 PolarHBondContact O-N 2.73Å; L61-K63 PolarHBondContact O-N 2.93Å |
| 62 | V | 45.5 | Very low | 47.6 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -69.3 | 92.3 | 161 | -175.5 | 0 | 0 | 0 | 0 | 104.7 | P60 R64 | P60-V62 VanDerWaalsContact C-N 3.29Å; P60-V62 PolarHBondContact O-N 2.85Å; V62-R64 HydrophobicContact CG1-CG 4.01Å; V62-R64 PolarHBondContact O-N 3.16Å |
| 63 | K | 50 | Low | 48.4 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | | | trans | -64.3 | 72.7 | 168.2 | -64.4 | -177.2 | -178.3 | -179.4 | 0 | 107.8 | L61 K65 | L61-K63 PolarHBondContact O-N 2.93Å; K63-K65 PolarHBondContact O-N 2.93Å |
| 64 | R | 46.3 | Very low | 49 | Very low | 216 Ų | 216 | 133.1 Ų | 133.1 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | | | trans | -66.7 | 100.2 | 158.1 | -82.4 | -171.8 | 169.3 | 164.5 | -3 | 104.5 | V62 L66 | V62-R64 HydrophobicContact CG1-CG 4.01Å; V62-R64 PolarHBondContact O-N 3.16Å; R64-L66 PolarHBondContact O-N 2.92Å |
| 65 | K | 49.6 | Very low | 49.6 | Very low | 200 Ų | 200 | 134 Ų | 134 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | | | trans | -55.6 | 97.1 | 166.4 | -165.5 | 174.1 | 179.8 | -170.8 | 0 | 104.8 | K63 E67 | K63-K65 PolarHBondContact O-N 2.93Å; K65-E67 VanDerWaalsContact C-N 3.25Å; K65-E67 PolarHBondContact O-N 3.19Å |
| 66 | L | 53.5 | Low | 49.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | -63.3 | 100.2 | 168.8 | -107.3 | 118.9 | 0 | 0 | 0 | 104.2 | R64 S68 | R64-L66 PolarHBondContact O-N 2.92Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 2.77Å |
| 67 | E | 51.2 | Low | 50.4 | Low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | | | trans | -66.5 | 103.7 | 164.2 | -164.8 | 148.4 | -152.8 | 0 | 0 | 104.6 | K65 | K65-E67 VanDerWaalsContact C-N 3.25Å; K65-E67 PolarHBondContact O-N 3.19Å |
| 68 | S | 55.8 | Low | 51 | Low | 70 Ų | 70 | 138.6 Ų | 138.6 | 49% | 0.49 | 74% | 0.737 | S | S | . | * | | | trans | -50.7 | 126.4 | 178.4 | -54.6 | 0 | 0 | 0 | 0 | 107.6 | L66 D70 | L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 2.77Å; S68-D70 VanDerWaalsContact CB-CG 3.44Å; S68-D70 WeakPolarHBondContact CB-OD1 3.39Å; S68-D70 WeakPolarHBondContact CB-OD2 3.23Å; S68-D70 PolarHBondContact O-N 3.38Å |
| 69 | P | 54.3 | Low | 51.5 | Low | 90 Ų | 90 | 140.4 Ų | 140.4 | 58% | 0.584 | 74% | 0.738 | S | S | * | * | | | trans | -73.5 | 53 | 174.5 | 31.4 | -33.9 | 0 | 0 | 0 | 109.9 | N71 L72 | P69-N71 PolarHBondContact O-N 3.02Å; P69-L72 HydrophobicContact CB-CD1 4.11Å |
| 70 | D | 56.9 | Low | 51.9 | Low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -7.9 | -179.9 | -66.6 | -21 | 0 | 0 | 0 | 111.4 | S68 | S68-D70 VanDerWaalsContact CB-CG 3.44Å; S68-D70 WeakPolarHBondContact CB-OD1 3.39Å; S68-D70 WeakPolarHBondContact CB-OD2 3.23Å; S68-D70 PolarHBondContact O-N 3.38Å |
| 71 | N | 53.4 | Low | 52.5 | Low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 1 | -177.9 | -104.8 | 36 | 0 | 0 | 0 | 115.3 | P69 | P69-N71 PolarHBondContact O-N 3.02Š|
| 72 | L | 53 | Low | 52.8 | Low | 147 Ų | 147 | 143.9 Ų | 143.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -88.4 | -12.8 | -180 | -92.9 | 156.2 | 0 | 0 | 0 | 113.8 | P69 T74 | P69-L72 HydrophobicContact CB-CD1 4.11Å; L72-T74 PolarHBondContact O-N 2.91Å |
| 73 | I | 54.6 | Low | 53 | Low | 147 Ų | 147 | 142.1 Ų | 142.1 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | -95.6 | 61 | 168.6 | -44.2 | 175.1 | 0 | 0 | 0 | 106.9 | N75 | I73-N75 PolarHBondContact O-N 3.14Š|
| 74 | T | 54.2 | Low | 53.3 | Low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | | | trans | -66.1 | 99.5 | 156.4 | 40.9 | 0 | 0 | 0 | 0 | 105.4 | L72 D76 | L72-T74 PolarHBondContact O-N 2.91Å; T74-D76 PolarHBondContact O-N 2.96Å |
| 75 | N | 54.6 | Low | 54 | Low | 121 Ų | 121 | 138.2 Ų | 138.2 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | | | trans | -0.5 | 87.7 | 155.3 | -64.6 | -10.5 | 0 | 0 | 0 | 112 | I73 D77 | I73-N75 PolarHBondContact O-N 3.14Å; N75-D77 HydrophobicContact CB-CB 3.93Å; N75-D77 VanDerWaalsContact CB-OD2 3.23Å; N75-D77 WeakPolarHBondContact CB-OD2 3.5Å; N75-D77 PolarHBondContact O-N 2.61Å; N75-D77 PolarHBondContact OD1-OD2 2.75Å |
| 76 | D | 53.2 | Low | 54.1 | Low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | | | trans | -77 | 42.7 | 160.9 | -153.1 | 17.3 | 0 | 0 | 0 | 107 | T74 E78 | T74-D76 PolarHBondContact O-N 2.96Å; D76-E78 PolarHBondContact O-N 3.04Å |
| 77 | D | 52.4 | Low | 53.9 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | | | trans | -81.9 | 13.5 | -167.4 | -77 | -16.5 | 0 | 0 | 0 | 111.8 | N75 N79 | N75-D77 HydrophobicContact CB-CB 3.93Å; N75-D77 VanDerWaalsContact CB-OD2 3.23Å; N75-D77 WeakPolarHBondContact CB-OD2 3.5Å; N75-D77 PolarHBondContact O-N 2.61Å; N75-D77 PolarHBondContact OD1-OD2 2.75Å; D77-N79 PolarHBondContact O-N 3.05Å |
| 78 | E | 55.6 | Low | 54 | Low | 166 Ų | 166 | 129.9 Ų | 129.9 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | | | trans | -82.6 | 56.1 | 157.5 | -56.8 | -59.9 | 153.3 | 0 | 0 | 107.9 | D76 L80 | D76-E78 PolarHBondContact O-N 3.04Å; E78-L80 PolarHBondContact O-N 3.24Å |
| 79 | N | 50.5 | Low | 53.8 | Low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | | | trans | -67.9 | 79.4 | 160.7 | -146 | 30.2 | 0 | 0 | 0 | 104.7 | D77 L81 | D77-N79 PolarHBondContact O-N 3.05Å; N79-L81 PolarHBondContact O-N 3.48Å |
| 80 | L | 54.3 | Low | 53.5 | Low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | | | trans | -43.5 | 111 | 168.7 | -82.2 | 153.1 | 0 | 0 | 0 | 104.6 | E78 I82 | E78-L80 PolarHBondContact O-N 3.24Å; L80-I82 WeakPolarHBondContact O-CG1 3.23Å; L80-I82 PolarHBondContact O-N 3.04Å |
| 81 | L | 55.5 | Low | 53 | Low | 176 Ų | 176 | 136 Ų | 136 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | | | trans | -59.1 | 91.6 | 167.3 | -89.1 | 149.8 | 0 | 0 | 0 | 104.8 | N79 D83 | N79-L81 PolarHBondContact O-N 3.48Å; L81-D83 PolarHBondContact O-N 3Å |
| 82 | I | 54.1 | Low | 52.8 | Low | 103 Ų | 103 | 134.2 Ų | 134.2 | 53% | 0.528 | 71% | 0.713 | S | S | . | * | | | trans | -65.4 | 96.5 | 174.6 | -64.5 | 166.7 | 0 | 0 | 0 | 103.7 | L80 F84 | L80-I82 WeakPolarHBondContact O-CG1 3.23Å; L80-I82 PolarHBondContact O-N 3.04Å; I82-F84 HydrophobicContact CB-CE2 4.39Å; I82-F84 HydrophobicContact CB-CZ 4.43Å; I82-F84 HydrophobicContact CG2-CD1 4.01Å; I82-F84 HydrophobicContact CG2-CD2 4.34Å; I82-F84 HydrophobicContact CG2-CE1 4Å; I82-F84 HydrophobicContact CG2-CE2 4.33Å; I82-F84 HydrophobicContact CG2-CG 4.19Å; I82-F84 HydrophobicContact CG2-CZ 4.17Å; I82-F84 VanDerWaalsContact O-CD2 3.23Å; I82-F84 WeakPolarHBondContact O-CD2 3.35Å; I82-F84 PolarHBondContact O-N 3.15Å |
| 83 | D | 50.6 | Low | 52.8 | Low | 84 Ų | 84 | 133.6 Ų | 133.6 | 45% | 0.449 | 71% | 0.71 | S | S | . | * | | | trans | -66.6 | 93.4 | 164.2 | -174.8 | -4.2 | 0 | 0 | 0 | 106.2 | L81 N85 N86 T87 | L81-D83 PolarHBondContact O-N 3Å; D83-N85 PolarHBondContact O-N 3.4Å; D83-N85 WeakPolarHBondContact OD1-CB 3.46Å; D83-N85 PolarHBondContact OD1-N 2.84Å; D83-N86 HydrophobicContact CB-CB 4.16Å; D83-N86 PolarHBondContact O-N 2.81Å; D83-N86 WeakPolarHBondContact OD2-CB 3.21Å; D83-T87 PolarHBondContact O-N 3.15Å; D83-T87 PolarHBondContact O-OG1 3.37Å |
| 84 | F | 56.3 | Low | 52.3 | Low | 172 Ų | 172 | 132.2 Ų | 132.2 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -20.6 | 178.6 | -73 | -80.8 | 0 | 0 | 0 | 112 | I82 | I82-F84 HydrophobicContact CB-CE2 4.39Å; I82-F84 HydrophobicContact CB-CZ 4.43Å; I82-F84 HydrophobicContact CG2-CD1 4.01Å; I82-F84 HydrophobicContact CG2-CD2 4.34Å; I82-F84 HydrophobicContact CG2-CE1 4Å; I82-F84 HydrophobicContact CG2-CE2 4.33Å; I82-F84 HydrophobicContact CG2-CG 4.19Å; I82-F84 HydrophobicContact CG2-CZ 4.17Å; I82-F84 VanDerWaalsContact O-CD2 3.23Å; I82-F84 WeakPolarHBondContact O-CD2 3.35Å; I82-F84 PolarHBondContact O-N 3.15Å |
| 85 | N | 59.6 | Low | 52.2 | Low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -20.9 | 179.3 | -66.7 | -33.7 | 0 | 0 | 0 | 113.4 | D83 | D83-N85 PolarHBondContact O-N 3.4Å; D83-N85 WeakPolarHBondContact OD1-CB 3.46Å; D83-N85 PolarHBondContact OD1-N 2.84Å |
| 86 | N | 53 | Low | 51.8 | Low | 130 Ų | 130 | 140.2 Ų | 140.2 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -3.9 | -175.4 | -153.4 | 31.8 | 0 | 0 | 0 | 114.3 | D83 | D83-N86 HydrophobicContact CB-CB 4.16Å; D83-N86 PolarHBondContact O-N 2.81Å; D83-N86 WeakPolarHBondContact OD2-CB 3.21Å |
| 87 | T | 49.5 | Very low | 51.6 | Low | 79 Ų | 79 | 140.5 Ų | 140.5 | 49% | 0.485 | 72% | 0.721 | S | S | . | * | | | trans | -108.3 | 52.7 | -174.4 | -37.1 | 0 | 0 | 0 | 0 | 111.9 | D83 | D83-T87 PolarHBondContact O-N 3.15Å; D83-T87 PolarHBondContact O-OG1 3.37Å |
| 88 | I | 53.7 | Low | 51.3 | Low | 149 Ų | 149 | 137.6 Ų | 137.6 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | | | trans | -76.5 | -10.9 | 166.5 | -63.2 | 176.2 | 0 | 0 | 0 | 110.9 | T90 | I88-T90 PolarHBondContact O-N 3.1Å; I88-T90 VanDerWaalsContact O-N 3.17Å |
| 89 | H | 49.6 | Very low | 50.9 | Low | 154 Ų | 154 | 138.9 Ų | 138.9 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -84.5 | 88.3 | 165.5 | -66.2 | -62.6 | 0 | 0 | 0 | 108.8 | D91 | H89-D91 PolarHBondContact O-N 2.82Š|
| 90 | T | 49.4 | Very low | 50.9 | Low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | | | trans | -61.3 | 92.2 | 161.1 | 49.9 | 0 | 0 | 0 | 0 | 107.4 | I88 S92 | I88-T90 PolarHBondContact O-N 3.1Å; I88-T90 VanDerWaalsContact O-N 3.17Å; T90-S92 PolarHBondContact O-N 3.49Å |
| 91 | D | 46.4 | Very low | 50.6 | Low | 143 Ų | 143 | 133.8 Ų | 133.8 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | | | trans | -56.5 | 112.7 | 161.2 | -73.7 | -23.9 | 0 | 0 | 0 | 105.7 | H89 L93 | H89-D91 PolarHBondContact O-N 2.82Å; D91-L93 VanDerWaalsContact C-N 3.32Å; D91-L93 PolarHBondContact O-N 2.92Å |
| 92 | S | 49.1 | Very low | 50.4 | Low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | | | trans | -52 | 97.6 | -178.9 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | T90 T94 | T90-S92 PolarHBondContact O-N 3.49Å; S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 2.94Å; S92-T94 PolarHBondContact O-OG1 3.07Å |
| 93 | L | 52.3 | Low | 50.3 | Low | 135 Ų | 135 | 137.2 Ų | 137.2 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | | | trans | -63 | 97.9 | 179.6 | -154.8 | 88.5 | 0 | 0 | 0 | 105.9 | D91 F95 | D91-L93 VanDerWaalsContact C-N 3.32Å; D91-L93 PolarHBondContact O-N 2.92Å; L93-F95 VanDerWaalsContact C-N 3.31Å; L93-F95 HydrophobicContact CB-CE2 4.5Å; L93-F95 HydrophobicContact CD2-CE1 4.04Å; L93-F95 HydrophobicContact CD2-CE2 4.25Å; L93-F95 HydrophobicContact CD2-CZ 3.81Å; L93-F95 WeakPolarHBondContact O-CD2 3.44Å; L93-F95 PolarHBondContact O-N 3.17Å |
| 94 | T | 44.2 | Very low | 50.3 | Low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | | | trans | -76.4 | 95.7 | -177.7 | -50.1 | 0 | 0 | 0 | 0 | 105 | S92 R96 | S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 2.94Å; S92-T94 PolarHBondContact O-OG1 3.07Å; T94-R96 PolarHBondContact O-N 3.11Å |
| 95 | F | 51.5 | Low | 50.1 | Low | 170 Ų | 170 | 134.9 Ų | 134.9 | 75% | 0.746 | 74% | 0.738 | S | S | * | * | | | trans | -59.6 | 95.6 | 168.2 | -67.2 | -85.7 | 0 | 0 | 0 | 106.6 | L93 I97 | L93-F95 VanDerWaalsContact C-N 3.31Å; L93-F95 HydrophobicContact CB-CE2 4.5Å; L93-F95 HydrophobicContact CD2-CE1 4.04Å; L93-F95 HydrophobicContact CD2-CE2 4.25Å; L93-F95 HydrophobicContact CD2-CZ 3.81Å; L93-F95 WeakPolarHBondContact O-CD2 3.44Å; L93-F95 PolarHBondContact O-N 3.17Å; F95-I97 VanDerWaalsContact C-N 3.32Å; F95-I97 PolarHBondContact O-N 3.21Å |
| 96 | R | 46.7 | Very low | 50 | Low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | | | trans | -59.8 | 110.7 | 160.4 | -66.6 | -172 | -177.8 | -172.7 | 2 | 103.2 | T94 G98 | T94-R96 PolarHBondContact O-N 3.11Å; R96-G98 PolarHBondContact O-N 3.18Å |
| 97 | I | 50.2 | Low | 50 | Low | 161 Ų | 161 | 135.6 Ų | 135.6 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -60.8 | 76.1 | 156.6 | -73.8 | 164.7 | 0 | 0 | 0 | 104.2 | F95 K99 | F95-I97 VanDerWaalsContact C-N 3.32Å; F95-I97 PolarHBondContact O-N 3.21Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 3.47Å |
| 98 | G | 45.3 | Very low | 50.2 | Low | 52 Ų | 52 | 137.4 Ų | 137.4 | 54% | 0.536 | 75% | 0.75 | S | S | . | * | | | trans | -56.6 | 112.9 | 156 | 0 | 0 | 0 | 0 | 0 | 101.9 | R96 C100 | R96-G98 PolarHBondContact O-N 3.18Å; G98-C100 VanDerWaalsContact C-N 3.28Å; G98-C100 PolarHBondContact O-N 2.94Å |
| 99 | K | 47.1 | Very low | 50.6 | Low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | | | trans | -42.5 | 105.1 | 170.7 | -68.9 | 174.6 | 176.2 | 179 | 0 | 104.9 | I97 G101 | I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 3.47Å; K99-G101 VanDerWaalsContact C-N 3.34Å; K99-G101 PolarHBondContact O-N 3.31Å |
| 100 | C | 51.4 | Low | 51.3 | Low | 120 Ų | 120 | 135.2 Ų | 135.2 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | | | trans | -51 | 113.3 | 174.3 | -82.9 | 0 | 0 | 0 | 0 | 103.4 | G98 S102 | G98-C100 VanDerWaalsContact C-N 3.28Å; G98-C100 PolarHBondContact O-N 2.94Å; C100-S102 VanDerWaalsContact C-N 3.32Å; C100-S102 PolarHBondContact O-N 2.88Å |
| 101 | G | 46.9 | Very low | 52.2 | Low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | | | trans | -56 | 108 | -178.7 | 0 | 0 | 0 | 0 | 0 | 105 | K99 W103 | K99-G101 VanDerWaalsContact C-N 3.34Å; K99-G101 PolarHBondContact O-N 3.31Å; G101-W103 PolarHBondContact O-N 2.77Å |
| 102 | S | 50.9 | Low | 53.3 | Low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | | | trans | -54.8 | 116.3 | 172.7 | -57.2 | 0 | 0 | 0 | 0 | 104.6 | C100 | C100-S102 VanDerWaalsContact C-N 3.32Å; C100-S102 PolarHBondContact O-N 2.88Å |
| 103 | W | 52.6 | Low | 54.3 | Low | 235 Ų | 235 | 126 Ų | 126 | 89% | 0.89 | 69% | 0.686 | S | S | * | * | | | trans | -51.1 | 133.6 | 176.1 | -70 | 72.8 | 0 | 0 | 0 | 107 | G101 S105 | G101-W103 PolarHBondContact O-N 2.77Å; W103-S105 PolarHBondContact O-N 3.41Å |
| 104 | P | 49.8 | Very low | 55.2 | Low | 104 Ų | 104 | 128 Ų | 128 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | | | trans | -54.9 | 113.6 | -177.4 | 19.4 | -30.2 | 0 | 0 | 0 | 108.8 | E106 | P104-E106 PolarHBondContact O-N 2.72Š|
| 105 | S | 53.6 | Low | 56.7 | Low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -79.1 | 21.8 | -173.7 | 88.7 | 0 | 0 | 0 | 0 | 112.9 | W103 S107 N108 | W103-S105 PolarHBondContact O-N 3.41Å; S105-S107 PolarHBondContact O-N 2.93Å; S105-N108 PolarHBondContact O-N 3.36Å |
| 106 | E | 56.1 | Low | 57.7 | Low | 193 Ų | 193 | 125 Ų | 125 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -71.2 | -21.5 | -179 | -77 | -172.7 | 156.1 | 0 | 0 | 112.2 | P104 | P104-E106 PolarHBondContact O-N 2.72Š|
| 107 | S | 53.1 | Low | 58.7 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -109.9 | 55.3 | 167.7 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | S105 D109 | S105-S107 PolarHBondContact O-N 2.93Å; S107-D109 PolarHBondContact O-N 2.86Å |
| 108 | N | 54.3 | Low | 59.6 | Low | 117 Ų | 117 | 117 Ų | 117 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | | | trans | -65.1 | 85.3 | 148.4 | -161.7 | 30.9 | 0 | 0 | 0 | 105.8 | S105 K110 | S105-N108 PolarHBondContact O-N 3.36Å; N108-K110 PolarHBondContact O-N 3.33Å |
| 109 | D | 61.4 | Low | 60.7 | Low | 85 Ų | 85 | 119 Ų | 119 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | | | trans | -60.8 | 116.3 | -171.4 | -174.4 | -6.2 | 0 | 0 | 0 | 106.6 | S107 S111 V112 | S107-D109 PolarHBondContact O-N 2.86Å; D109-S111 PolarHBondContact O-N 3.35Å; D109-S111 WeakPolarHBondContact OD1-CB 3.35Å; D109-S111 PolarHBondContact OD1-N 3.46Å; D109-S111 PolarHBondContact OD1-OG 3.38Å; D109-S111 VanDerWaalsContact OD1-OG 3.1Å; D109-S111 WeakPolarHBondContact OD2-CB 3.47Å; D109-S111 PolarHBondContact OD2-OG 3.3Å; D109-V112 HydrophobicContact CB-CG2 4.24Å; D109-V112 PolarHBondContact O-N 3.17Å |
| 110 | K | 66 | Low | 61.6 | Low | 173 Ų | 173 | 116.5 Ų | 116.5 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54 | -19.6 | 176 | -68.6 | -179.2 | 179.1 | 177.8 | 0 | 110.9 | N108 R114 | N108-K110 PolarHBondContact O-N 3.33Å; K110-R114 VanDerWaalsContact O-CB 3.22Å; K110-R114 WeakPolarHBondContact O-CB 3.18Å; K110-R114 PolarHBondContact O-N 2.98Å; K110-R114 VanDerWaalsContact O-N 3.07Å |
| 111 | S | 66.8 | Low | 62.1 | Low | 62 Ų | 62 | 117 Ų | 117 | 43% | 0.434 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.6 | -40 | 171.1 | 85.3 | 0 | 0 | 0 | 0 | 113 | D109 R114 W115 | D109-S111 PolarHBondContact O-N 3.35Å; D109-S111 WeakPolarHBondContact OD1-CB 3.35Å; D109-S111 PolarHBondContact OD1-N 3.46Å; D109-S111 PolarHBondContact OD1-OG 3.38Å; D109-S111 VanDerWaalsContact OD1-OG 3.1Å; D109-S111 WeakPolarHBondContact OD2-CB 3.47Å; D109-S111 PolarHBondContact OD2-OG 3.3Å; S111-R114 PolarHBondContact O-N 2.67Å; S111-W115 VanDerWaalsContact O-CB 3.26Å; S111-W115 WeakPolarHBondContact O-CB 3.26Å; S111-W115 PolarHBondContact O-N 2.97Å |
| 112 | V | 69.2 | Low | 62.7 | Low | 71 Ų | 71 | 120.5 Ų | 120.5 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.4 | -46.8 | -179.1 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | D109 R114 W115 L116 | D109-V112 HydrophobicContact CB-CG2 4.24Å; D109-V112 PolarHBondContact O-N 3.17Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 3Å; V112-W115 PolarHBondContact O-N 3.17Å; V112-W115 VanDerWaalsContact O-N 3.15Å; V112-L116 HydrophobicContact CG1-CD1 4.15Å; V112-L116 HydrophobicContact CG1-CG 4.41Å; V112-L116 WeakPolarHBondContact O-CG 3.49Å; V112-L116 PolarHBondContact O-N 3Å |
| 113 | S | 70.2 | Confident | 63 | Low | 45 Ų | 45 | 122.1 Ų | 122.1 | 32% | 0.315 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.2 | -45 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | W115 L116 E117 | S113-W115 VanDerWaalsContact C-N 3.34Å; S113-W115 PolarHBondContact O-N 3.1Å; S113-L116 PolarHBondContact O-N 3.06Å; S113-E117 WeakPolarHBondContact O-CG 3.32Å; S113-E117 PolarHBondContact O-N 3.43Å |
| 114 | R | 71 | Confident | 63.3 | Low | 176 Ų | 176 | 116.9 Ų | 116.9 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.4 | -37.8 | 176.3 | -173 | 177.4 | -62.6 | -110.6 | -5.4 | 112.3 | K110 S111 V112 T118 | K110-R114 VanDerWaalsContact O-CB 3.22Å; K110-R114 WeakPolarHBondContact O-CB 3.18Å; K110-R114 PolarHBondContact O-N 2.98Å; K110-R114 VanDerWaalsContact O-N 3.07Å; S111-R114 PolarHBondContact O-N 2.67Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 3Å; R114-T118 VanDerWaalsContact O-CB 3.28Å; R114-T118 WeakPolarHBondContact O-CB 3.38Å; R114-T118 PolarHBondContact O-N 3.07Å; R114-T118 PolarHBondContact O-OG1 3.39Å |
| 115 | W | 77.1 | Confident | 63.6 | Low | 146 Ų | 146 | 120.1 Ų | 120.1 | 55% | 0.553 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.6 | -43.6 | 175.7 | -175.6 | 90.3 | 0 | 0 | 0 | 111.1 | S111 V112 S113 T118 N119 F120 | S111-W115 VanDerWaalsContact O-CB 3.26Å; S111-W115 WeakPolarHBondContact O-CB 3.26Å; S111-W115 PolarHBondContact O-N 2.97Å; V112-W115 PolarHBondContact O-N 3.17Å; V112-W115 VanDerWaalsContact O-N 3.15Å; S113-W115 VanDerWaalsContact C-N 3.34Å; S113-W115 PolarHBondContact O-N 3.1Å; W115-T118 PolarHBondContact O-N 2.97Å; W115-N119 VanDerWaalsContact CD1-ND2 3.32Å; W115-N119 PolarHBondContact NE1-ND2 3.24Å; W115-N119 WeakPolarHBondContact O-CB 3.28Å; W115-N119 PolarHBondContact O-N 2.99Å; W115-N119 PolarHBondContact O-ND2 3.22Å; W115-F120 HydrophobicContact CH2-CE2 4.47Å; W115-F120 AromaticContact CZ3-CE2 3.94Å; W115-F120 HydrophobicContact CZ3-CE2 3.94Å |
| 116 | L | 71.1 | Confident | 63.7 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 41% | 0.414 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -48.7 | 175.8 | -68.8 | 172.6 | 0 | 0 | 0 | 111.2 | V112 S113 T118 N119 F120 | V112-L116 HydrophobicContact CG1-CD1 4.15Å; V112-L116 HydrophobicContact CG1-CG 4.41Å; V112-L116 WeakPolarHBondContact O-CG 3.49Å; V112-L116 PolarHBondContact O-N 3Å; S113-L116 PolarHBondContact O-N 3.06Å; L116-T118 VanDerWaalsContact C-N 3.29Å; L116-T118 PolarHBondContact O-N 3.42Å; L116-N119 PolarHBondContact O-N 3.29Å; L116-F120 HydrophobicContact CB-CD2 4.43Å; L116-F120 HydrophobicContact CD2-CD2 3.76Å; L116-F120 HydrophobicContact CD2-CE2 3.49Å; L116-F120 VanDerWaalsContact CD2-CE2 3.49Å; L116-F120 WeakPolarHBondContact O-CB 3.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.42Å; L116-F120 PolarHBondContact O-N 2.89Å |
| 117 | E | 69 | Low | 63.7 | Low | 144 Ų | 144 | 113.4 Ų | 113.4 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -36.7 | 176.8 | -75.8 | 171.7 | -178.5 | 0 | 0 | 113.2 | S113 | S113-E117 WeakPolarHBondContact O-CG 3.32Å; S113-E117 PolarHBondContact O-N 3.43Å |
| 118 | T | 68.8 | Low | 63.9 | Low | 82 Ų | 82 | 116.2 Ų | 116.2 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -80.2 | -28.7 | -177 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | R114 W115 L116 H121 | R114-T118 VanDerWaalsContact O-CB 3.28Å; R114-T118 WeakPolarHBondContact O-CB 3.38Å; R114-T118 PolarHBondContact O-N 3.07Å; R114-T118 PolarHBondContact O-OG1 3.39Å; W115-T118 PolarHBondContact O-N 2.97Å; L116-T118 VanDerWaalsContact C-N 3.29Å; L116-T118 PolarHBondContact O-N 3.42Å; T118-H121 PolarHBondContact O-CE1 3.1Å; T118-H121 VanDerWaalsContact O-CE1 3.23Å; T118-H121 PolarHBondContact O-NE2 3.23Å; T118-H121 VanDerWaalsContact O-NE2 3.1Å |
| 119 | N | 68.2 | Low | 63.9 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -107 | -22.7 | -173.2 | -65.2 | -83.7 | 0 | 0 | 0 | 113.6 | W115 L116 H121 | W115-N119 VanDerWaalsContact CD1-ND2 3.32Å; W115-N119 PolarHBondContact NE1-ND2 3.24Å; W115-N119 WeakPolarHBondContact O-CB 3.28Å; W115-N119 PolarHBondContact O-N 2.99Å; W115-N119 PolarHBondContact O-ND2 3.22Å; L116-N119 PolarHBondContact O-N 3.29Å; N119-H121 PolarHBondContact O-N 3.21Å |
| 120 | F | 66.9 | Low | 63.4 | Low | 142 Ų | 142 | 122 Ų | 122 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | | | trans | -96.2 | 79 | 169.2 | -68.6 | -92.9 | 0 | 0 | 0 | 108.7 | W115 L116 D122 | W115-F120 HydrophobicContact CH2-CE2 4.47Å; W115-F120 AromaticContact CZ3-CE2 3.94Å; W115-F120 HydrophobicContact CZ3-CE2 3.94Å; L116-F120 HydrophobicContact CB-CD2 4.43Å; L116-F120 HydrophobicContact CD2-CD2 3.76Å; L116-F120 HydrophobicContact CD2-CE2 3.49Å; L116-F120 VanDerWaalsContact CD2-CE2 3.49Å; L116-F120 WeakPolarHBondContact O-CB 3.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.42Å; L116-F120 PolarHBondContact O-N 2.89Å; F120-D122 PolarHBondContact O-N 3.04Å |
| 121 | H | 62.1 | Low | 62.8 | Low | 131 Ų | 131 | 120.5 Ų | 120.5 | 61% | 0.606 | 62% | 0.617 | S | S | * | * | | | trans | -74.2 | 119.4 | 159.6 | -61.4 | -45.6 | 0 | 0 | 0 | 107 | T118 N119 Q123 | T118-H121 PolarHBondContact O-CE1 3.1Å; T118-H121 VanDerWaalsContact O-CE1 3.23Å; T118-H121 PolarHBondContact O-NE2 3.23Å; T118-H121 VanDerWaalsContact O-NE2 3.1Å; N119-H121 PolarHBondContact O-N 3.21Å; H121-Q123 PolarHBondContact O-N 2.94Å |
| 122 | D | 59.1 | Low | 61.9 | Low | 136 Ų | 136 | 120.3 Ų | 120.3 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | | | trans | -40.6 | 108.3 | 169.2 | -102.5 | -17.9 | 0 | 0 | 0 | 108.6 | F120 N124 | F120-D122 PolarHBondContact O-N 3.04Å; D122-N124 HydrophobicContact CB-CB 4.35Å; D122-N124 PolarHBondContact O-N 2.65Å; D122-N124 PolarHBondContact OD1-ND2 3Å; D122-N124 PolarHBondContact OD2-ND2 2.91Å |
| 123 | Q | 57.4 | Low | 60.9 | Low | 150 Ų | 150 | 125.4 Ų | 125.4 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | | | trans | -74 | 16.9 | 173.6 | -70.1 | -81.2 | -67.3 | 0 | 0 | 110.9 | H121 D125 S126 | H121-Q123 PolarHBondContact O-N 2.94Å; Q123-D125 PolarHBondContact O-N 3.4Å; Q123-S126 PolarHBondContact O-N 3.02Å; Q123-S126 PolarHBondContact O-OG 3.18Å |
| 124 | N | 57.4 | Low | 59.8 | Low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -3.2 | -176.1 | -69.7 | -27.1 | 0 | 0 | 0 | 113.7 | D122 | D122-N124 HydrophobicContact CB-CB 4.35Å; D122-N124 PolarHBondContact O-N 2.65Å; D122-N124 PolarHBondContact OD1-ND2 3Å; D122-N124 PolarHBondContact OD2-ND2 2.91Å |
| 125 | D | 56 | Low | 58.8 | Low | 172 Ų | 172 | 128.3 Ų | 128.3 | 92% | 0.92 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -3.2 | 172 | -92.9 | -3.4 | 0 | 0 | 0 | 115 | Q123 | Q123-D125 PolarHBondContact O-N 3.4Š|
| 126 | S | 56.7 | Low | 57.3 | Low | 65 Ų | 65 | 128 Ų | 128 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -111.3 | 126.2 | 170.3 | 70.8 | 0 | 0 | 0 | 0 | 108.6 | Q123 F128 | Q123-S126 PolarHBondContact O-N 3.02Å; Q123-S126 PolarHBondContact O-OG 3.18Å; S126-F128 PolarHBondContact O-N 3.19Å |
| 127 | G | 56 | Low | 56 | Low | 89 Ų | 89 | 132.8 Ų | 132.8 | 92% | 0.918 | 71% | 0.707 | S | S | * | * | | | trans | -63.9 | 59.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N129 | G127-N129 PolarHBondContact O-N 3.04Š|
| 128 | F | 57.4 | Low | 54.5 | Low | 157 Ų | 157 | 132.6 Ų | 132.6 | 69% | 0.689 | 74% | 0.743 | S | S | * | * | | | trans | -74 | 84.4 | 170 | -169.6 | -99.4 | 0 | 0 | 0 | 107.5 | S126 W130 | S126-F128 PolarHBondContact O-N 3.19Å; F128-W130 AromaticContact CD1-CD1 3.68Å; F128-W130 AromaticContact CE1-CD1 3.47Å; F128-W130 VanDerWaalsContact CE1-CD1 3.47Å; F128-W130 HydrophobicContact CE1-CG 4.12Å; F128-W130 AromaticContact CE1-NE1 3.55Å; F128-W130 PolarHBondContact O-N 3.06Å |
| 129 | N | 53.6 | Low | 53.8 | Low | 121 Ų | 121 | 135.1 Ų | 135.1 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | | | trans | -70 | 113.9 | 167.2 | -160.3 | 20.7 | 0 | 0 | 0 | 106.9 | G127 D131 | G127-N129 PolarHBondContact O-N 3.04Å; N129-D131 PolarHBondContact O-N 3.19Å |
| 130 | W | 51 | Low | 53 | Low | 203 Ų | 203 | 137.4 Ų | 137.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -61.6 | 111.6 | 166.2 | -96.8 | 75 | 0 | 0 | 0 | 106.8 | F128 G132 | F128-W130 AromaticContact CD1-CD1 3.68Å; F128-W130 AromaticContact CE1-CD1 3.47Å; F128-W130 VanDerWaalsContact CE1-CD1 3.47Å; F128-W130 HydrophobicContact CE1-CG 4.12Å; F128-W130 AromaticContact CE1-NE1 3.55Å; F128-W130 PolarHBondContact O-N 3.06Å; W130-G132 PolarHBondContact O-N 3.2Å |
| 131 | D | 53.4 | Low | 52.2 | Low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 35.4 | 175.9 | -86 | -21.8 | 0 | 0 | 0 | 113.1 | N129 | N129-D131 PolarHBondContact O-N 3.19Š|
| 132 | G | 47.6 | Very low | 51.7 | Low | 57 Ų | 57 | 137.5 Ų | 137.5 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -3.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W130 N134 | W130-G132 PolarHBondContact O-N 3.2Å; G132-N134 VanDerWaalsContact C-N 3.3Å; G132-N134 PolarHBondContact O-N 3.45Å |
| 133 | Q | 48.3 | Very low | 51.2 | Low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -95.6 | 49.5 | 171.7 | -86.9 | 179.4 | 15.2 | 0 | 0 | 111.7 | | |
| 134 | N | 48.3 | Very low | 50.8 | Low | 130 Ų | 130 | 136.7 Ų | 136.7 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | trans | -122.1 | 56.7 | 165.6 | -72.3 | -37.5 | 0 | 0 | 0 | 109.1 | G132 | G132-N134 VanDerWaalsContact C-N 3.3Å; G132-N134 PolarHBondContact O-N 3.45Å |
| 135 | D | 49.1 | Very low | 50.3 | Low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -146.9 | 62.2 | 173.5 | -93.3 | -24.5 | 0 | 0 | 0 | 111.2 | | |
| 136 | V | 46 | Very low | 49.9 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -141.1 | 72.3 | 147.6 | -166.2 | 0 | 0 | 0 | 0 | 108 | | |
| 137 | I | 43.6 | Very low | 49.3 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | | | trans | -90.3 | 98.9 | 153.3 | -58.6 | 173.6 | 0 | 0 | 0 | 104.7 | | |
| 138 | G | 37.3 | Very low | 48.7 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 100% | 1.433 | 82% | 0.818 | S | S | * | * | | | trans | -154.3 | 0 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |