| 1 | M | 53.4 | Low | 43.2 | Very low | 238 Ų | 238 | 162.7 Ų | 162.7 | 100% | 1.172 | 83% | 0.829 | S | S | * | * | | | | 0 | 124 | 0 | -68.9 | 178.7 | -74.4 | 0 | 0 | 106.8 | | |
| 2 | E | 41.1 | Very low | 43.2 | Very low | 201 Ų | 201 | 164.8 Ų | 164.8 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | | | trans | -174.8 | 159.2 | 137.3 | -106.4 | -177.2 | 128.4 | 0 | 0 | 108.6 | | |
| 3 | E | 41.3 | Very low | 43 | Very low | 179 Ų | 179 | 162.8 Ų | 162.8 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | | | trans | -130 | 154.6 | -169.1 | -62.8 | -171.5 | 163.9 | 0 | 0 | 112.5 | | |
| 4 | S | 48 | Very low | 43.7 | Very low | 95 Ų | 95 | 159.4 Ų | 159.4 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | trans | 48.1 | 114.7 | 140.8 | -61.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 5 | K | 42.1 | Very low | 43.7 | Very low | 198 Ų | 198 | 159.7 Ų | 159.7 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | trans | 168.1 | 152.7 | 130.1 | -91.5 | 147.6 | -164.5 | 167.2 | 0 | 111.8 | | |
| 6 | T | 39.4 | Very low | 44.2 | Very low | 111 Ų | 111 | 160.6 Ų | 160.6 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | | | cis | -171.3 | 166.6 | -28.9 | 23.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 7 | L | 38.2 | Very low | 44.2 | Very low | 162 Ų | 162 | 159.6 Ų | 159.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | 71.9 | 162 | 169.5 | -37.2 | -177.8 | 0 | 0 | 0 | 114.2 | | |
| 8 | K | 39.8 | Very low | 43.7 | Very low | 178 Ų | 178 | 157.1 Ų | 157.1 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | | | cis | -144.3 | 152.1 | 1.4 | -158.4 | -178.4 | 177.4 | -164.9 | 0 | 109.9 | | |
| 9 | S | 47.3 | Very low | 43.5 | Very low | 106 Ų | 106 | 156.7 Ų | 156.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -81.4 | 138 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 10 | E | 39.4 | Very low | 43.1 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -151.3 | 145.2 | 148.9 | -147.2 | 150.4 | 139.5 | 0 | 0 | 110.9 | | |
| 11 | N | 45.5 | Very low | 42.7 | Very low | 143 Ų | 143 | 156.1 Ų | 156.1 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | -90.6 | 134.7 | 177.5 | -79.8 | -77.8 | 0 | 0 | 0 | 110 | | |
| 12 | H | 43.3 | Very low | 42.3 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | | 170 | 122.6 | 123.6 | -94 | -68.9 | 0 | 0 | 0 | 109.3 | P14 | H12-P14 WeakPolarHBondContact O-CD 3.43Š|
| 13 | E | 40.6 | Very low | 42.6 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -99 | 116.6 | 179.6 | -176.1 | 174.1 | -116.6 | 0 | 0 | 111 | K15 | E13-K15 HydrophobicContact CG-CB 4.22Å; E13-K15 HydrophobicContact CG-CD 4.13Å; E13-K15 HydrophobicContact CG-CG 3.84Å; E13-K15 PolarHBondContact O-N 3.47Å; E13-K15 WeakPolarHBondContact OE1-CE 3.5Å; E13-K15 IonicContact OE1-NZ 2.85Å; E13-K15 PolarHBondContact OE1-NZ 3.29Å; E13-K15 IonicContact OE2-NZ 3.26Å |
| 14 | P | 52.4 | Low | 42.8 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -98.4 | 55.6 | 178.1 | 38.4 | -34.2 | 0 | 0 | 0 | 111.5 | H12 K16 | H12-P14 WeakPolarHBondContact O-CD 3.43Å; P14-K16 PolarHBondContact O-N 3.3Å |
| 15 | K | 43.3 | Very low | 42.6 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | | | trans | -72.2 | 121.5 | 179.1 | -90.9 | -179.3 | -176.4 | 145.5 | 0 | 111.9 | E13 | E13-K15 HydrophobicContact CG-CB 4.22Å; E13-K15 HydrophobicContact CG-CD 4.13Å; E13-K15 HydrophobicContact CG-CG 3.84Å; E13-K15 PolarHBondContact O-N 3.47Å; E13-K15 WeakPolarHBondContact OE1-CE 3.5Å; E13-K15 IonicContact OE1-NZ 2.85Å; E13-K15 PolarHBondContact OE1-NZ 3.29Å; E13-K15 IonicContact OE2-NZ 3.26Å |
| 16 | K | 52.3 | Low | 42.6 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | -105.5 | 160.5 | 169.6 | -59.4 | 176.1 | -173.6 | 178.9 | 0 | 108.6 | P14 | P14-K16 PolarHBondContact O-N 3.3Š|
| 17 | N | 44.4 | Very low | 42.8 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | 53.4 | 157.5 | 154.4 | 66.4 | -54.8 | 0 | 0 | 0 | 122.5 | | |
| 18 | V | 35.7 | Very low | 43.1 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 91.2 | 87.2 | 164.9 | -165.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 19 | I | 39.9 | Very low | 43.5 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | | 54.9 | 135.2 | 119.2 | -60.7 | 166.6 | 0 | 0 | 0 | 121 | | |
| 20 | C | 33.8 | Very low | 43.4 | Very low | 125 Ų | 125 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 68.3 | 149.7 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 21 | E | 35.4 | Very low | 43.6 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | cis | -142.7 | 170.1 | 29.7 | -164.3 | 172.2 | -154.7 | 0 | 0 | 114.1 | S23 | E21-S23 PolarHBondContact O-N 3.44Å; E21-S23 PolarHBondContact O-OG 3.05Å |
| 22 | E | 45.9 | Very low | 43.6 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -60.6 | 125.2 | -178.9 | -174.5 | -170.7 | 135.9 | 0 | 0 | 113.5 | | |
| 23 | S | 46.5 | Very low | 43.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -142.8 | 76.1 | -179.8 | 37.3 | 0 | 0 | 0 | 0 | 114.1 | E21 | E21-S23 PolarHBondContact O-N 3.44Å; E21-S23 PolarHBondContact O-OG 3.05Å |
| 24 | K | 46.4 | Very low | 44.4 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | 40.8 | 95.6 | 151.5 | -61.5 | 178.8 | -177.4 | 175.8 | 0 | 117 | V26 | K24-V26 VanDerWaalsContact C-N 3.32Å; K24-V26 PolarHBondContact O-N 3.47Å |
| 25 | A | 41.9 | Very low | 44.2 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -68 | 80.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q27 | A25-Q27 PolarHBondContact O-N 3.03Š|
| 26 | V | 43.3 | Very low | 44.4 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -73.7 | 108.7 | 167.8 | 178 | 0 | 0 | 0 | 0 | 108.5 | K24 V28 | K24-V26 VanDerWaalsContact C-N 3.32Å; K24-V26 PolarHBondContact O-N 3.47Å; V26-V28 PolarHBondContact O-N 3.03Å |
| 27 | Q | 44.5 | Very low | 44 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -72.1 | 97.3 | -177.5 | -170.1 | 175.3 | 63.3 | 0 | 0 | 110.9 | A25 I29 | A25-Q27 PolarHBondContact O-N 3.03Å; Q27-I29 PolarHBondContact O-N 2.88Å |
| 28 | V | 44 | Very low | 44 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -70.4 | 112.7 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | V26 G30 | V26-V28 PolarHBondContact O-N 3.03Å; V28-G30 PolarHBondContact O-N 3.09Å |
| 29 | I | 48.2 | Very low | 44.1 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | trans | -74.9 | 93.6 | 178.2 | -56.9 | 176.8 | 0 | 0 | 0 | 109.5 | Q27 N31 | Q27-I29 PolarHBondContact O-N 2.88Å; I29-N31 VanDerWaalsContact C-N 3.34Å; I29-N31 PolarHBondContact O-N 3.48Å |
| 30 | G | 44.4 | Very low | 44.5 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -73.8 | 74 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | V28 Q32 | V28-G30 PolarHBondContact O-N 3.09Å; G30-Q32 PolarHBondContact O-N 2.84Å |
| 31 | N | 43.3 | Very low | 44.9 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -72.1 | 65.9 | 175.9 | -73.4 | -35.6 | 0 | 0 | 0 | 112.8 | I29 T33 | I29-N31 VanDerWaalsContact C-N 3.34Å; I29-N31 PolarHBondContact O-N 3.48Å; N31-T33 PolarHBondContact O-N 2.94Å |
| 32 | Q | 46.2 | Very low | 45.1 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -80.8 | 77.2 | -179.9 | -170.9 | 173.9 | 87.7 | 0 | 0 | 112.3 | G30 L34 | G30-Q32 PolarHBondContact O-N 2.84Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 HydrophobicContact CG-CD1 3.77Å; Q32-L34 HydrophobicContact CG-CG 3.76Å; Q32-L34 PolarHBondContact O-N 2.77Å |
| 33 | T | 49.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -78.1 | 80.3 | 170.1 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | N31 | N31-T33 PolarHBondContact O-N 2.94Š|
| 34 | L | 49.8 | Very low | 45 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 132.1 | 170.1 | -70.8 | 176.3 | 0 | 0 | 0 | 111.3 | Q32 | Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 HydrophobicContact CG-CD1 3.77Å; Q32-L34 HydrophobicContact CG-CG 3.76Å; Q32-L34 PolarHBondContact O-N 2.77Å |
| 35 | K | 48.5 | Very low | 44.8 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.7 | -173 | -73.4 | -77 | -173.6 | 175.1 | 0 | 111.4 | | |
| 36 | A | 47.9 | Very low | 44.7 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 138.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 37 | R | 44.9 | Very low | 44.7 | Very low | 251 Ų | 251 | 148.3 Ų | 148.3 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | -131.8 | 138.8 | 154.4 | -87 | -172.6 | 166.2 | 146.2 | -2.3 | 109.4 | | |
| 38 | N | 44.2 | Very low | 44.5 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -78.8 | 140.1 | -175.8 | 166.5 | 35.4 | 0 | 0 | 0 | 111.5 | | |
| 39 | D | 38 | Very low | 44.5 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | | | trans | -160.5 | 116.7 | 133.5 | -120.4 | -2.4 | 0 | 0 | 0 | 114.4 | | |
| 40 | K | 47.7 | Very low | 44.2 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | | | trans | 60.7 | 120.7 | 143.2 | -60 | 157 | -171.3 | 148.1 | 0 | 121.9 | | |
| 41 | S | 41.4 | Very low | 44.1 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | 65.4 | 143.8 | 154.1 | 66.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 42 | V | 40.6 | Very low | 44.2 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | cis | -138.7 | 170.1 | 37.1 | 160.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 43 | K | 49.7 | Very low | 44.2 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 140.4 | 171.8 | -60.3 | 173.3 | 177.3 | 178.1 | 0 | 111.5 | | |
| 44 | E | 40.9 | Very low | 44.2 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | | -161.5 | 143.6 | 126 | -114.9 | -179.8 | 132.6 | 0 | 0 | 113.7 | | |
| 45 | I | 42.2 | Very low | 44.2 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | | | trans | 28.1 | 109.5 | 157.3 | -60.2 | 160 | 0 | 0 | 0 | 119 | N47 | I45-N47 PolarHBondContact O-N 3.02Š|
| 46 | E | 40 | Very low | 44.1 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -26.6 | 109.3 | 147.4 | -177.2 | 175.5 | -175.4 | 0 | 0 | 115.2 | S48 | E46-S48 PolarHBondContact O-N 2.77Š|
| 47 | N | 41.8 | Very low | 44.1 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.6 | 170.9 | -79.1 | -34.6 | 0 | 0 | 0 | 110.5 | I45 S49 | I45-N47 PolarHBondContact O-N 3.02Å; N47-S49 PolarHBondContact O-N 3.24Å |
| 48 | S | 41.2 | Very low | 44.2 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.8 | -179 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | E46 | E46-S48 PolarHBondContact O-N 2.77Š|
| 49 | S | 44.3 | Very low | 44.6 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 127.7 | 177.7 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | N47 N51 | N47-S49 PolarHBondContact O-N 3.24Å; S49-N51 PolarHBondContact O-N 2.81Å |
| 50 | P | 42.1 | Very low | 45.1 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | trans | -73.3 | 99.6 | 169.2 | 28.6 | -32.1 | 0 | 0 | 0 | 109.5 | R52 | P50-R52 PolarHBondContact O-N 2.92Å; P50-R52 VanDerWaalsContact O-N 3.09Å |
| 51 | N | 41.5 | Very low | 45 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | | | trans | -52.3 | 111.4 | 176.1 | 175.6 | 0.2 | 0 | 0 | 0 | 111.5 | S49 N53 | S49-N51 PolarHBondContact O-N 2.81Å; N51-N53 PolarHBondContact O-N 3.02Å; N51-N53 PolarHBondContact O-ND2 3.42Å; N51-N53 PolarHBondContact OD1-N 2.92Å |
| 52 | R | 46.1 | Very low | 45 | Very low | 241 Ų | 241 | 148.3 Ų | 148.3 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | -72.2 | 75.2 | 171.8 | -83.7 | -171.5 | 165 | -160.8 | -2.5 | 111.3 | P50 | P50-R52 PolarHBondContact O-N 2.92Å; P50-R52 VanDerWaalsContact O-N 3.09Å |
| 53 | N | 44.7 | Very low | 45.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -78.8 | 134.8 | 154.5 | 71 | 89.2 | 0 | 0 | 0 | 109.1 | N51 | N51-N53 PolarHBondContact O-N 3.02Å; N51-N53 PolarHBondContact O-ND2 3.42Å; N51-N53 PolarHBondContact OD1-N 2.92Å |
| 54 | S | 50.3 | Low | 44.9 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -138.3 | 71.3 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | K56 | S54-K56 PolarHBondContact O-N 2.65Š|
| 55 | S | 49.4 | Very low | 45.4 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -66.6 | 80.3 | 178.1 | 46.3 | 0 | 0 | 0 | 0 | 111 | K57 | S55-K57 VanDerWaalsContact C-N 3.29Å; S55-K57 PolarHBondContact O-N 3.28Å |
| 56 | K | 46.6 | Very low | 45.3 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | trans | -63.6 | 83.6 | -178.8 | -173.3 | 177.1 | -179.7 | 176.7 | 0 | 110.8 | S54 N58 | S54-K56 PolarHBondContact O-N 2.65Å; K56-N58 PolarHBondContact O-N 3.41Å |
| 57 | K | 49.2 | Very low | 45.7 | Very low | 198 Ų | 198 | 144.9 Ų | 144.9 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | trans | -64.2 | 86.2 | 167 | -75.9 | -168.8 | 175.5 | -175.9 | 0 | 109 | S55 K59 | S55-K57 VanDerWaalsContact C-N 3.29Å; S55-K57 PolarHBondContact O-N 3.28Å; K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.35Å |
| 58 | N | 45.9 | Very low | 45.7 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 60% | 0.599 | 75% | 0.747 | S | S | * | * | | | trans | -68.1 | 88.4 | 169.9 | -175.1 | 25.1 | 0 | 0 | 0 | 108.8 | K56 Q60 | K56-N58 PolarHBondContact O-N 3.41Å; N58-Q60 WeakPolarHBondContact ND2-CG 3.11Å; N58-Q60 PolarHBondContact O-N 3.13Å |
| 59 | K | 53.2 | Low | 45.6 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | | | trans | -65 | 92.1 | 161.4 | 179.4 | 77.5 | 175.9 | -176.8 | 0 | 106.2 | K57 N61 | K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.35Å; K59-N61 PolarHBondContact O-N 2.83Å; K59-N61 VanDerWaalsContact O-N 3.13Å |
| 60 | Q | 47.9 | Very low | 45.6 | Very low | 140 Ų | 140 | 145 Ų | 145 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | | | trans | -60.3 | 117.5 | 170.9 | -72.2 | 175.3 | -63.7 | 0 | 0 | 107.4 | N58 D62 | N58-Q60 WeakPolarHBondContact ND2-CG 3.11Å; N58-Q60 PolarHBondContact O-N 3.13Å; Q60-D62 PolarHBondContact O-N 3.47Å |
| 61 | N | 44.9 | Very low | 45.9 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | trans | -81.3 | 103.8 | 162.3 | -71.1 | -18.2 | 0 | 0 | 0 | 105.8 | K59 I63 | K59-N61 PolarHBondContact O-N 2.83Å; K59-N61 VanDerWaalsContact O-N 3.13Å; N61-I63 HydrophobicContact CB-CG1 4.44Å; N61-I63 PolarHBondContact O-N 3.48Å |
| 62 | D | 42.8 | Very low | 45.9 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -68.5 | 83.3 | 168.1 | -75.6 | -51.3 | 0 | 0 | 0 | 108.9 | Q60 C64 | Q60-D62 PolarHBondContact O-N 3.47Å; D62-C64 PolarHBondContact O-N 2.82Å |
| 63 | I | 47.5 | Very low | 45.4 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | trans | -68.9 | 86.7 | 164.9 | -59 | 177 | 0 | 0 | 0 | 105.8 | N61 I65 | N61-I63 HydrophobicContact CB-CG1 4.44Å; N61-I63 PolarHBondContact O-N 3.48Å; I63-I65 HydrophobicContact CG2-CG1 4.48Å; I63-I65 PolarHBondContact O-N 3.04Å |
| 64 | C | 39.8 | Very low | 45.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -65.3 | 99 | 175.7 | -166.8 | 0 | 0 | 0 | 0 | 108.4 | D62 E66 | D62-C64 PolarHBondContact O-N 2.82Å; C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.48Å |
| 65 | I | 50.9 | Low | 45 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -71.9 | 95.2 | 174.6 | -59.4 | 178.3 | 0 | 0 | 0 | 107.2 | I63 K67 | I63-I65 HydrophobicContact CG2-CG1 4.48Å; I63-I65 PolarHBondContact O-N 3.04Å; I65-K67 PolarHBondContact O-N 2.94Å |
| 66 | E | 40.6 | Very low | 44.3 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | trans | -59.4 | 108.7 | 172.1 | -170.8 | -178.6 | 161 | 0 | 0 | 109.2 | C64 T68 | C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.48Å; E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 2.96Å |
| 67 | K | 48.8 | Very low | 44.1 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -79.6 | 82.1 | -180 | -69.2 | -179.6 | -178.8 | 174.5 | 0 | 109.7 | I65 E69 | I65-K67 PolarHBondContact O-N 2.94Å; K67-E69 PolarHBondContact O-N 2.87Å |
| 68 | T | 42.1 | Very low | 43.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | trans | -63.8 | 103.1 | 172 | -42.7 | 0 | 0 | 0 | 0 | 110 | E66 V70 | E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 2.96Å; T68-V70 PolarHBondContact O-N 2.67Å |
| 69 | E | 38.4 | Very low | 43.4 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -71.3 | 84.5 | -177.8 | -61.8 | -179 | 163.7 | 0 | 0 | 112 | K67 K71 | K67-E69 PolarHBondContact O-N 2.87Å; E69-K71 VanDerWaalsContact C-N 3.35Å; E69-K71 PolarHBondContact O-N 2.71Å; E69-K71 WeakPolarHBondContact OE2-CE 3.49Å; E69-K71 IonicContact OE2-NZ 2.77Å; E69-K71 PolarHBondContact OE2-NZ 2.86Å |
| 70 | V | 44.2 | Very low | 42.9 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -71.2 | 89.7 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | T68 S72 | T68-V70 PolarHBondContact O-N 2.67Å; V70-S72 PolarHBondContact O-N 3Å |
| 71 | K | 49.5 | Very low | 42.8 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 67% | 0.665 | 77% | 0.773 | S | S | * | * | | | trans | -71.4 | 121.4 | -179.6 | -70.2 | 156 | -164.7 | 179.6 | 0 | 109.9 | E69 C73 | E69-K71 VanDerWaalsContact C-N 3.35Å; E69-K71 PolarHBondContact O-N 2.71Å; E69-K71 WeakPolarHBondContact OE2-CE 3.49Å; E69-K71 IonicContact OE2-NZ 2.77Å; E69-K71 PolarHBondContact OE2-NZ 2.86Å; K71-C73 PolarHBondContact O-N 2.99Å; K71-C73 VanDerWaalsContact O-N 3.08Å |
| 72 | S | 40.4 | Very low | 42.2 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -79.5 | 90.9 | -170.3 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | V70 K74 | V70-S72 PolarHBondContact O-N 3Å; S72-K74 PolarHBondContact O-N 3.27Å |
| 73 | C | 36.3 | Very low | 42.6 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -72 | 93.9 | 171.3 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | K71 V75 | K71-C73 PolarHBondContact O-N 2.99Å; K71-C73 VanDerWaalsContact O-N 3.08Å; C73-V75 PolarHBondContact O-N 3.26Å |
| 74 | K | 48.2 | Very low | 42.5 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | -70.2 | 107 | 172.6 | -179.9 | -179.3 | 178 | 178.7 | 0 | 110.9 | S72 | S72-K74 PolarHBondContact O-N 3.27Š|
| 75 | V | 37.3 | Very low | 42.5 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -107 | 128.8 | 168.8 | 177.4 | 0 | 0 | 0 | 0 | 109 | C73 | C73-V75 PolarHBondContact O-N 3.26Š|
| 76 | N | 36.3 | Very low | 42.6 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | | | trans | -80.6 | 145.7 | -178.8 | -63.3 | -32.2 | 0 | 0 | 0 | 111 | | |
| 77 | A | 42.2 | Very low | 42.6 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -72.7 | 134.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 78 | A | 40.1 | Very low | 42.5 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -141.4 | 142.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 79 | N | 38.9 | Very low | 42.8 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -77.4 | 149.7 | -173.6 | -63.5 | -82.6 | 0 | 0 | 0 | 112.5 | | |
| 80 | L | 42.7 | Very low | 43 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | | -176.4 | 152.6 | 122.2 | -94.7 | 170.2 | 0 | 0 | 0 | 110.2 | | |
| 81 | P | 46.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -101 | 145.7 | -174.7 | 37.2 | -32.4 | 0 | 0 | 0 | 114.3 | | |
| 82 | G | 33.3 | Very low | 42.8 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -176.8 | 129.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 83 | P | 50.5 | Low | 43.5 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | trans | -107.9 | 155.8 | -173.7 | 39.4 | -34.1 | 0 | 0 | 0 | 114.7 | | |
| 84 | K | 45.7 | Very low | 44.1 | Very low | 206 Ų | 206 | 138.6 Ų | 138.6 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | | | trans | 75 | 110.8 | 168.4 | -50.8 | 160.1 | -175.4 | 173.7 | 0 | 116.7 | | |
| 85 | D | 40.4 | Very low | 43.9 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | -149.5 | 160.6 | 131.2 | -159.8 | 8 | 0 | 0 | 0 | 110.6 | | |
| 86 | L | 53.1 | Low | 44 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -102.8 | 97.5 | -177.1 | -74 | 164 | 0 | 0 | 0 | 110.6 | | |
| 87 | G | 40.2 | Very low | 44.7 | Very low | 63 Ų | 63 | 141.6 Ų | 141.6 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | trans | -131.7 | 59.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V89 | G87-V89 VanDerWaalsContact C-N 3.3Å; G87-V89 PolarHBondContact O-N 3.44Å |
| 88 | L | 46.3 | Very low | 44.6 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | | | trans | -73.5 | 79.6 | 171.3 | -74 | 176.6 | 0 | 0 | 0 | 111.6 | L90 | L88-L90 PolarHBondContact O-N 3.28Å; L88-L90 VanDerWaalsContact O-N 3.15Å |
| 89 | V | 47.6 | Very low | 45.1 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | -85.7 | 75.1 | 173.9 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | G87 R91 | G87-V89 VanDerWaalsContact C-N 3.3Å; G87-V89 PolarHBondContact O-N 3.44Å; V89-R91 HydrophobicContact CG1-CB 4.38Å |
| 90 | L | 44.3 | Very low | 45.5 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | -103.1 | 93.4 | 163.8 | -170.6 | 66.6 | 0 | 0 | 0 | 109.1 | L88 | L88-L90 PolarHBondContact O-N 3.28Å; L88-L90 VanDerWaalsContact O-N 3.15Å |
| 91 | R | 46.5 | Very low | 45.5 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | -107.5 | 57.9 | -167 | -143 | -81 | -168.1 | 158.3 | 6.9 | 111.9 | V89 | V89-R91 HydrophobicContact CG1-CB 4.38Š|
| 92 | D | 41.8 | Very low | 45.7 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -80.3 | 151 | 166.8 | -174.6 | 34.6 | 0 | 0 | 0 | 111.2 | S94 | D92-S94 PolarHBondContact OD2-OG 2.9Š|
| 93 | Q | 55.3 | Low | 45.7 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 67% | 0.673 | 80% | 0.803 | S | S | * | * | | | trans | -133.7 | 55 | -165.7 | -161.3 | 173.8 | 10.4 | 0 | 0 | 113.2 | H95 | Q93-H95 PolarHBondContact O-N 3.28Š|
| 94 | S | 50 | Low | 45.1 | Very low | 70 Ų | 70 | 152.9 Ų | 152.9 | 49% | 0.49 | 80% | 0.804 | S | S | . | * | | | trans | -99.9 | 55.2 | -172.6 | 41.1 | 0 | 0 | 0 | 0 | 115 | D92 C96 | D92-S94 PolarHBondContact OD2-OG 2.9Å; S94-C96 PolarHBondContact O-N 3.48Å |
| 95 | H | 43.4 | Very low | 45.1 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | 28.2 | 48.8 | 147 | 56.9 | -98.2 | 0 | 0 | 0 | 122 | Q93 K97 | Q93-H95 PolarHBondContact O-N 3.28Å; H95-K97 PolarHBondContact O-N 2.99Å |
| 96 | C | 39.8 | Very low | 45 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.9 | 170.3 | -73.2 | 0 | 0 | 0 | 0 | 113.5 | S94 A98 | S94-C96 PolarHBondContact O-N 3.48Å; C96-A98 PolarHBondContact O-N 3.32Å |
| 97 | K | 51.1 | Low | 44.3 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73 | 123.7 | 173.7 | -72.5 | -76.5 | -174.1 | 175.7 | 0 | 110.9 | H95 K99 | H95-K97 PolarHBondContact O-N 2.99Å; K97-K99 PolarHBondContact O-N 2.92Å |
| 98 | A | 38.3 | Very low | 44 | Very low | 101 Ų | 101 | 151 Ų | 151 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C96 | C96-A98 PolarHBondContact O-N 3.32Š|
| 99 | K | 50.6 | Low | 43.4 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 136.1 | 151.6 | -80.9 | -175.2 | 174.6 | 178.9 | 0 | 108.6 | K97 | K97-K99 PolarHBondContact O-N 2.92Š|
| 100 | K | 47.6 | Very low | 42.8 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 133.5 | -177.8 | -62.7 | -179.8 | 178.8 | -179.8 | 0 | 110.7 | | |
| 101 | F | 43.3 | Very low | 42.2 | Very low | 197 Ų | 197 | 148.2 Ų | 148.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -107.4 | 131.1 | 158.4 | -72.5 | -82.4 | 0 | 0 | 0 | 109 | | |
| 102 | P | 50.8 | Low | 41.4 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -87.4 | 121.6 | 175.5 | 32.2 | -30.9 | 0 | 0 | 0 | 112.3 | | |
| 103 | N | 33.4 | Very low | 41.1 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | 5.1 | 134.1 | 159 | -56.9 | -17.5 | 0 | 0 | 0 | 120.5 | | |
| 104 | S | 37.7 | Very low | 40 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 150.7 | 152.3 | 54.6 | 0 | 0 | 0 | 0 | 112 | | |
| 105 | P | 46.3 | Very low | 39.3 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 134 | 163.9 | 34.2 | -28.7 | 0 | 0 | 0 | 111.7 | | |
| 106 | V | 38.4 | Very low | 38.7 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 134.2 | 171.5 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 107 | K | 36.9 | Very low | 38.4 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | trans | 164.5 | 149.2 | 154.1 | -95.4 | 161.3 | -176 | -176.3 | 0 | 109.7 | | |
| 108 | A | 35 | Very low | 37.4 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | cis | -154.1 | 175.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 109 | E | 33.5 | Very low | 37.3 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -92.8 | 141.2 | -172 | -174.5 | -155.1 | 128 | 0 | 0 | 113.6 | | |
| 110 | K | 33.7 | Very low | 36.4 | Very low | 173 Ų | 173 | 149 Ų | 149 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | 142.9 | 137.1 | 131.4 | -79.6 | -163.9 | 175.1 | -173.9 | 0 | 117.3 | | |
| 111 | A | 32.6 | Very low | 35.8 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | 64.9 | 156.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 112 | T | 29.4 | Very low | 35.2 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | cis | -167.2 | 133.8 | -22.5 | -90.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 113 | I | 34.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | 26.8 | 124.3 | 151.9 | -49.6 | 165.5 | 0 | 0 | 0 | 120.8 | | |
| 114 | S | 33.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | | 164.4 | 117.8 | 129.5 | -73.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 115 | Q | 34.2 | Very low | 34 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | | 77.8 | 124.8 | 61.9 | -99.4 | -155.5 | 8.2 | 0 | 0 | 118.7 | | |
| 116 | A | 31.8 | Very low | 33.4 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | 94.3 | 127.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 117 | K | 32.3 | Very low | 33.2 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | 67.9 | 157.8 | 149.8 | -73.1 | 179.7 | 176.4 | 179.6 | 0 | 118 | | |
| 118 | S | 30.8 | Very low | 33 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | cis | -145.7 | 160.4 | -0 | -169 | 0 | 0 | 0 | 0 | 111.2 | | |
| 119 | E | 37.1 | Very low | 32.9 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -65.6 | 149.3 | 161.2 | -53.4 | 155.6 | 101.1 | 0 | 0 | 111.9 | | |
| 120 | K | 30.3 | Very low | 32.9 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | | | trans | -164.1 | 146.2 | 131.9 | -156 | 167.5 | -176.9 | 177.5 | 0 | 111.6 | | |
| 121 | A | 36.5 | Very low | 32.8 | Very low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | trans | -111.5 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 122 | T | 28.9 | Very low | 33.3 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | 91.2 | 113 | 161.1 | -46.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 123 | S | 29.7 | Very low | 33.5 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | | -172.3 | 125.3 | 128.2 | -162 | 0 | 0 | 0 | 0 | 113.8 | | |
| 124 | L | 33.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 71% | 0.707 | 79% | 0.787 | S | S | * | * | | | trans | 22.8 | 147.8 | 131.1 | -46.6 | 178.1 | 0 | 0 | 0 | 120.4 | | |
| 125 | Q | 34.3 | Very low | 34.2 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | cis | -165.2 | 158.7 | 5.6 | -128.7 | 169.3 | 4.8 | 0 | 0 | 113.7 | | |
| 126 | A | 33 | Very low | 33.9 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 17.7 | 149.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 127 | K | 33.8 | Very low | 34 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | | -171.3 | 164.2 | 58.1 | -135.5 | -168.2 | -173.5 | -167.8 | 0 | 115.6 | | |
| 128 | A | 33 | Very low | 33.8 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 74.7 | 149.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 129 | E | 33.3 | Very low | 33.9 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | cis | -169.3 | 135.5 | -31.5 | -165.2 | -178.6 | 111.1 | 0 | 0 | 111.2 | | |
| 130 | K | 33.4 | Very low | 33.7 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | 155.4 | 106.7 | 132.9 | -85.9 | 170.8 | -178.8 | 177.7 | 0 | 114.7 | | |
| 131 | S | 31.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 34.6 | 160.5 | 133.4 | -91.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 132 | P | 44.1 | Very low | 33.6 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | cis | -130.5 | 174.6 | 1.9 | 37.8 | -19.9 | 0 | 0 | 0 | 116.6 | | |
| 133 | K | 33.4 | Very low | 33.9 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | trans | -75.1 | 172.2 | 158.9 | -94.7 | 166.6 | 173.2 | 166.9 | 0 | 109.9 | | |
| 134 | S | 37.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | cis | -174.5 | -168.6 | 45.8 | 69.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 135 | P | 44.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | cis | -119.5 | -164.8 | -13.6 | 41.5 | -24.5 | 0 | 0 | 0 | 110.2 | | |
| 136 | N | 28.4 | Very low | 33.6 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | cis | -152.3 | 166.6 | 13 | -142.5 | -14.7 | 0 | 0 | 0 | 113.3 | | |
| 137 | S | 33 | Very low | 33.5 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | 6.9 | 145 | 158.1 | 56.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 138 | V | 29.9 | Very low | 33.6 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | cis | 142.8 | 137 | -5.1 | 147.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 139 | K | 32.9 | Very low | 33.5 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | 74.5 | 125.1 | 162.8 | -98.4 | -171.2 | 173.4 | -173.1 | 0 | 122.4 | | |
| 140 | A | 33 | Very low | 33.6 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | | 90.8 | 153.6 | 122.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 141 | E | 31.4 | Very low | 33.6 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -28.9 | 149.9 | 172.6 | -55.2 | 163.4 | 71.1 | 0 | 0 | 115.4 | | |
| 142 | K | 31.7 | Very low | 33.6 | Very low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | cis | -166.7 | 164 | 39.9 | -162.5 | 167.6 | -179.3 | 169.2 | 0 | 110.5 | | |
| 143 | A | 34.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 144.8 Ų | 144.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -77.2 | 137.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 144 | S | 28.8 | Very low | 34 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | | 178.6 | 137.1 | 127.6 | -163.8 | 0 | 0 | 0 | 0 | 114 | | |
| 145 | S | 30.4 | Very low | 33.9 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | 39.2 | 117.1 | 141.8 | -169.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 146 | Y | 33.2 | Very low | 33.4 | Very low | 223 Ų | 223 | 141.7 Ų | 141.7 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | | | trans | 23.2 | 125.5 | 134.5 | -58.7 | -83.9 | 0 | 0 | 0 | 121.8 | | |
| 147 | Q | 31 | Very low | 34 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | | | trans | -148 | 167.4 | 133.4 | -83.5 | -144.9 | -26.5 | 0 | 0 | 111.5 | | |
| 148 | M | 35.2 | Very low | 34 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | | | trans | -127 | 153.1 | -176 | -81.1 | -169.2 | 171.2 | 0 | 0 | 112.5 | | |
| 149 | K | 32.6 | Very low | 34.2 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | 65.1 | 148.8 | 168.1 | -64.2 | 177.2 | 176.8 | -177.8 | 0 | 114.9 | | |
| 150 | S | 34.5 | Very low | 34.5 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | cis | -161.1 | 162.6 | -4.9 | -123.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 151 | E | 32.9 | Very low | 34.5 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | | | cis | -153.7 | -130.2 | 3 | -145.5 | 160.2 | 105.1 | 0 | 0 | 107.4 | | |
| 152 | K | 32.7 | Very low | 34.7 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | | | cis | -163.5 | 152.8 | -5 | -138.1 | 163.2 | -147.5 | -40 | 0 | 111.1 | | |
| 153 | V | 41.1 | Very low | 35.1 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | 61.5 | 158.8 | 167.9 | -113.7 | 0 | 0 | 0 | 0 | 117 | | |
| 154 | P | 44.6 | Very low | 35.2 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | -132.3 | 163.6 | -94.1 | 43.6 | -29.4 | 0 | 0 | 0 | 117 | | |
| 155 | S | 34.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | trans | -172.6 | 163.6 | 137.6 | 25.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 156 | S | 35 | Very low | 37.1 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -154.5 | 177.6 | -177.6 | 62.8 | 0 | 0 | 0 | 0 | 109 | | |
| 157 | P | 41 | Very low | 37.5 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | cis | -123.3 | 166.6 | -17.5 | 38.7 | -25.6 | 0 | 0 | 0 | 113.3 | | |
| 158 | A | 32 | Very low | 38 | Very low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -155.9 | 119.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 159 | E | 34.8 | Very low | 38.7 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | -89.3 | 166.8 | 176.4 | -73.1 | -172.2 | 89.8 | 0 | 0 | 112.2 | | |
| 160 | A | 39.2 | Very low | 39.1 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -87.6 | 131.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 161 | E | 32.9 | Very low | 39.6 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -107.8 | 114.9 | 151.5 | -74.8 | -126.7 | 99 | 0 | 0 | 108.1 | | |
| 162 | K | 35.7 | Very low | 40.1 | Very low | 172 Ų | 172 | 146 Ų | 146 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | | 70 | 105.8 | 81.1 | -71.9 | -166.8 | -149.9 | 134.5 | 0 | 113.1 | | |
| 163 | G | 40.4 | Very low | 40.8 | Very low | 58 Ų | 58 | 146.9 Ų | 146.9 | 60% | 0.598 | 82% | 0.819 | S | S | * | * | | | trans | -74.3 | 159.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S165 | G163-S165 PolarHBondContact O-N 3.46Š|
| 164 | P | 37.7 | Very low | 41 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -79.5 | 75.3 | -173.6 | 33 | -36.6 | 0 | 0 | 0 | 112.5 | | |
| 165 | S | 51 | Low | 41.2 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | trans | -117.4 | 69.5 | 174.1 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | G163 | G163-S165 PolarHBondContact O-N 3.46Š|
| 166 | L | 46.9 | Very low | 41.8 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | | | trans | -172.9 | 83 | 162.3 | -108.2 | 167.6 | 0 | 0 | 0 | 112.4 | | |
| 167 | L | 41.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 93% | 0.927 | 84% | 0.836 | S | S | * | * | | | trans | -154.3 | 51.4 | 165.1 | -141.1 | 172 | 0 | 0 | 0 | 112.2 | | |
| 168 | L | 42.7 | Very low | 42.1 | Very low | 167 Ų | 167 | 161.8 Ų | 161.8 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -143.7 | 35.7 | -176.5 | -139.8 | 169.9 | 0 | 0 | 0 | 112.2 | | |
| 169 | K | 49 | Very low | 42.8 | Very low | 193 Ų | 193 | 165.9 Ų | 165.9 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | | | trans | -156 | 58 | -178.1 | -157.8 | -175.8 | 176.7 | 179.6 | 0 | 115.2 | | |
| 170 | D | 40.6 | Very low | 43.3 | Very low | 139 Ų | 139 | 164.8 Ų | 164.8 | 74% | 0.743 | 85% | 0.845 | S | S | * | * | | | trans | -156.1 | 80.2 | 151.4 | -155.7 | 3.2 | 0 | 0 | 0 | 115.1 | | |
| 171 | M | 44.8 | Very low | 43.4 | Very low | 189 Ų | 189 | 163.3 Ų | 163.3 | 93% | 0.931 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -151.8 | 23.1 | 163.3 | -80.4 | -138.3 | 84.2 | 0 | 0 | 113.4 | | |
| 172 | R | 44.4 | Very low | 43.8 | Very low | 246 Ų | 246 | 166.1 Ų | 166.1 | 93% | 0.928 | 85% | 0.849 | S | S | * | * | | | trans | -131 | 35.6 | -178.7 | -70.7 | -147.1 | -64.5 | -159.3 | -1.4 | 115.2 | | |
| 173 | Q | 47.9 | Very low | 44.1 | Very low | 177 Ų | 177 | 167.6 Ų | 167.6 | 83% | 0.827 | 86% | 0.855 | S | S | * | * | | | trans | -132.6 | 63.3 | 174.3 | -69 | -166.6 | -17.8 | 0 | 0 | 113 | | |
| 174 | K | 43.4 | Very low | 44.7 | Very low | 207 Ų | 207 | 172.2 Ų | 172.2 | 90% | 0.9 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -138.7 | 33.4 | 170.7 | -70.9 | -164.5 | 176.6 | -179.3 | 0 | 114.3 | | |
| 175 | T | 49.8 | Very low | 45 | Very low | 146 Ų | 146 | 171 Ų | 171 | 90% | 0.896 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -142.3 | 31.4 | 178.3 | -23.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 176 | E | 46 | Very low | 44.6 | Very low | 187 Ų | 187 | 170.8 Ų | 170.8 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | | | trans | -140.3 | 74.9 | 178.7 | -164.8 | -177.9 | 171.1 | 0 | 0 | 112.9 | | |
| 177 | L | 45.3 | Very low | 44.2 | Very low | 171 Ų | 171 | 168.1 Ų | 168.1 | 90% | 0.895 | 85% | 0.85 | S | S | * | * | | | trans | -163 | 82.5 | 148.6 | -148.9 | 77.4 | 0 | 0 | 0 | 113 | | |
| 178 | Q | 37.9 | Very low | 44.3 | Very low | 205 Ų | 205 | 169.9 Ų | 169.9 | 96% | 0.958 | 85% | 0.851 | S | S | * | * | | | trans | -161.9 | 70.6 | 149.8 | -85.7 | -134.4 | 60.4 | 0 | 0 | 110.2 | | |
| 179 | Q | 47.3 | Very low | 44.1 | Very low | 190 Ų | 190 | 167.8 Ų | 167.8 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -132.9 | 93.9 | 160.6 | -166.3 | -174.1 | 111.2 | 0 | 0 | 109.8 | | |
| 180 | I | 45.3 | Very low | 43.6 | Very low | 176 Ų | 176 | 164.3 Ų | 164.3 | 90% | 0.903 | 85% | 0.845 | S | S | * | * | | | trans | -147.1 | 135.5 | 161.4 | -139.9 | 71.3 | 0 | 0 | 0 | 109.7 | | |
| 181 | G | 40.8 | Very low | 43.7 | Very low | 63 Ų | 63 | 164.3 Ų | 164.3 | 65% | 0.649 | 85% | 0.85 | S | S | * | * | S | Bend | trans | 80.5 | 63.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 182 | K | 41.8 | Very low | 42.9 | Very low | 213 Ų | 213 | 162.9 Ų | 162.9 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | | | | -165 | 154 | 118.4 | -96.6 | 140.3 | -163 | 172.8 | 0 | 112 | | |
| 183 | K | 40.6 | Very low | 43.1 | Very low | 203 Ų | 203 | 159.5 Ų | 159.5 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | | | trans | -81.7 | 140.8 | -165.7 | -60.9 | -178 | 178.6 | -176.4 | 0 | 112.5 | | |
| 184 | I | 54.8 | Low | 42.6 | Very low | 156 Ų | 156 | 157 Ų | 157 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | | | trans | -88.3 | 127.5 | 156.2 | -49.2 | 173 | 0 | 0 | 0 | 107.6 | | |
| 185 | P | 42.6 | Very low | 42.2 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | -87.6 | 101.2 | 157.6 | 30.4 | -22.4 | 0 | 0 | 0 | 108.7 | | |
| 186 | S | 44 | Very low | 42 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | | | trans | -72.5 | 128.5 | 169.4 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 187 | S | 37.5 | Very low | 41.5 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -153.2 | 117.7 | 167.8 | -73.3 | 0 | 0 | 0 | 0 | 110 | | |
| 188 | F | 44.3 | Very low | 41.1 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | -90.8 | 110.8 | 169.6 | -73.9 | -93.3 | 0 | 0 | 0 | 108.9 | | |
| 189 | T | 38 | Very low | 41.1 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | -133.5 | 102.8 | 162.4 | 50.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 190 | S | 39.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | | 72.1 | 128.6 | 82.3 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 191 | V | 42.1 | Very low | 39.7 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -72.3 | 134.9 | -174.7 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 192 | D | 28.7 | Very low | 39.2 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -144.1 | 175.2 | 137.7 | -150.3 | -7.6 | 0 | 0 | 0 | 110.8 | | |
| 193 | K | 46.7 | Very low | 39.1 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | | | trans | -132.6 | 156.9 | -154.8 | -162.5 | -175.3 | -179.3 | -178.3 | 0 | 110.3 | | |
| 194 | V | 38.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | 70.3 | 107 | 171.5 | -169 | 0 | 0 | 0 | 0 | 115.7 | | |
| 195 | N | 34.5 | Very low | 38 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | | -144.5 | 147.7 | 113.7 | -163.3 | 19.4 | 0 | 0 | 0 | 110.6 | | |
| 196 | I | 46.6 | Very low | 37.6 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 82% | 0.821 | 82% | 0.82 | S | S | * | * | | | trans | -126 | 106.4 | 171.2 | -62.3 | 177 | 0 | 0 | 0 | 107.2 | | |
| 197 | E | 34.4 | Very low | 37.1 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | | | trans | -152.2 | 122.8 | 158.3 | -163.5 | 158.9 | -151.6 | 0 | 0 | 110.5 | | |
| 198 | A | 38.3 | Very low | 36.9 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -155.1 | 68.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 199 | V | 37.9 | Very low | 36.3 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -133.9 | 126.3 | 179.9 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 200 | G | 29 | Very low | 36.5 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | 86.9 | 120.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 201 | G | 33.5 | Very low | 36.6 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | cis | 155.1 | 103.5 | -14.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 202 | E | 31.2 | Very low | 36.3 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | trans | -133.4 | 136 | 164.8 | -89.7 | -173.7 | 105.9 | 0 | 0 | 111 | | |
| 203 | K | 39.7 | Very low | 36.7 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | | | trans | -143.3 | 103.9 | 170.3 | -75.5 | -173.1 | 178.4 | -179.4 | 0 | 108.6 | | |
| 204 | C | 34 | Very low | 36.3 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | trans | -92.4 | 111.5 | 171.2 | -72.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 205 | A | 36.5 | Very low | 36.5 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -109.3 | 133.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 206 | L | 35.6 | Very low | 36.7 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | | | trans | -149.6 | 143.5 | 158.5 | -148.9 | 72.1 | 0 | 0 | 0 | 110.7 | | |
| 207 | Q | 33.1 | Very low | 36.2 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | | | trans | -139.9 | 149.1 | -174.1 | -164.8 | -154.8 | 17.6 | 0 | 0 | 108.6 | | |
| 208 | N | 32.6 | Very low | 36.6 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 67% | 0.674 | 82% | 0.82 | S | S | * | * | | | trans | 73.5 | 128.4 | 168.1 | -40.7 | -63.6 | 0 | 0 | 0 | 118.2 | | |
| 209 | S | 31.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -170.6 | 161.9 | 131 | -90.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 210 | P | 43 | Very low | 36.8 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -128 | -176.2 | -135.1 | 43.9 | -31.7 | 0 | 0 | 0 | 118.4 | | |
| 211 | R | 40.7 | Very low | 37.9 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | | | trans | -57 | 138.2 | 177.5 | 170.2 | -167.3 | -173.6 | -177.5 | 4.1 | 117 | | |
| 212 | S | 37.2 | Very low | 38.4 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 157.7 | 162 | 148.6 | -90 | 0 | 0 | 0 | 0 | 110.6 | | |
| 213 | Q | 36.5 | Very low | 39.1 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | | | cis | -171.6 | 131.6 | -13.2 | 160.8 | -169.9 | 4.7 | 0 | 0 | 108.5 | | |
| 214 | K | 38.2 | Very low | 39.4 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | -166.8 | 157.6 | 137.8 | -130.6 | 179.1 | 178.8 | -178.8 | 0 | 112.7 | | |
| 215 | Q | 43.2 | Very low | 40.4 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -112.6 | 155.9 | 176.1 | -58.9 | 149.2 | -79.7 | 0 | 0 | 109.6 | | |
| 216 | Q | 38.4 | Very low | 41.2 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | -148.2 | 143.4 | 143.6 | -171 | 160.2 | -15.5 | 0 | 0 | 109.8 | | |
| 217 | T | 36.4 | Very low | 42.4 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | -117.3 | 143.2 | -176.6 | -49.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 218 | C | 42.9 | Very low | 44 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -155.6 | 147.7 | 146.8 | -156.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 219 | T | 43.8 | Very low | 45 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | | | trans | -97.2 | 159.5 | 168.8 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 220 | D | 35.9 | Very low | 45.7 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | | | | -175.6 | 118.5 | 116.8 | -102.4 | 23.5 | 0 | 0 | 0 | 114.1 | | |
| 221 | N | 51 | Low | 45.5 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | | 56.7 | 135.3 | 125.9 | -51.4 | -29.3 | 0 | 0 | 0 | 123.5 | | |
| 222 | T | 45.7 | Very low | 45.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | 75.5 | 121.7 | 149.5 | -49.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 223 | G | 45.1 | Very low | 46.5 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -178.1 | 50.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 224 | D | 46.2 | Very low | 46.9 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -74.9 | 137.9 | -179.4 | 173.5 | 34.6 | 0 | 0 | 0 | 112.1 | | |
| 225 | S | 54.8 | Low | 47.7 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -179 | 115.8 | 160.5 | -78 | 0 | 0 | 0 | 0 | 109.7 | | |
| 226 | D | 53.8 | Low | 48.4 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -75.2 | 161.8 | -173.1 | -87.8 | -46.9 | 0 | 0 | 0 | 116.3 | | |
| 227 | D | 60.8 | Low | 49.2 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -39 | 144.7 | 155.9 | 176.1 | 31.9 | 0 | 0 | 0 | 114.9 | A229 | D227-A229 PolarHBondContact OD1-N 3.45Š|
| 228 | S | 65.4 | Low | 49.6 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -158.7 | 101.8 | 154.7 | -80.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 229 | A | 54.6 | Low | 50.4 | Low | 81 Ų | 81 | 127.2 Ų | 127.2 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -78.4 | 171.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D227 | D227-A229 PolarHBondContact OD1-N 3.45Š|
| 230 | S | 46.6 | Very low | 50.9 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | trans | 74.2 | 144.8 | -179.9 | 79.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 231 | G | 38 | Very low | 51.9 | Low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | cis | 170.9 | -164.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 232 | I | 48.5 | Very low | 51.9 | Low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | 65.8 | 124.2 | 165.3 | 71.7 | 169.5 | 0 | 0 | 0 | 120.4 | | |
| 233 | E | 51.6 | Low | 52.3 | Low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 27 | 119.1 | 150.2 | 65.3 | -137.3 | 148.7 | 0 | 0 | 123 | | |
| 234 | D | 44.4 | Very low | 52.7 | Low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -124.4 | 136.1 | 132.2 | -175.3 | 16.4 | 0 | 0 | 0 | 108 | | |
| 235 | V | 55.6 | Low | 52.9 | Low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -129.5 | 97 | -176.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 236 | S | 57.4 | Low | 52.8 | Low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -124.9 | 52.3 | -174.9 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 237 | D | 54.1 | Low | 53 | Low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -84.8 | 104.9 | 156.7 | -100.5 | -46.3 | 0 | 0 | 0 | 109.5 | | |
| 238 | D | 45.3 | Very low | 52.8 | Low | 148 Ų | 148 | 138.9 Ų | 138.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -150.1 | 150.8 | 145.8 | -158.1 | 3.9 | 0 | 0 | 0 | 111.7 | | |
| 239 | L | 60.5 | Low | 52.2 | Low | 160 Ų | 160 | 141.9 Ų | 141.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -90.9 | 113.2 | -167.2 | -63.2 | 89 | 0 | 0 | 0 | 112.3 | | |
| 240 | S | 53.2 | Low | 52 | Low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -125 | 93.7 | 159.4 | 73 | 0 | 0 | 0 | 0 | 113.2 | | |
| 241 | K | 57.3 | Low | 52.3 | Low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | 26.2 | 116.4 | 141.1 | -56.7 | 171.3 | -174.5 | 171.4 | 0 | 116.9 | | |
| 242 | M | 50.2 | Low | 53 | Low | 168 Ų | 168 | 147 Ų | 147 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | | | | -155.3 | 145.7 | 111.7 | -111.6 | 156.9 | 65.5 | 0 | 0 | 112.4 | N244 | M242-N244 PolarHBondContact O-N 3.3Š|
| 243 | K | 55.2 | Low | 53.3 | Low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | | | trans | -60.2 | 129.9 | 163.6 | -71.3 | -91.3 | -170.3 | 169.6 | 0 | 107.7 | | |
| 244 | N | 53.2 | Low | 53.3 | Low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -133.6 | 152 | 158.2 | -75.2 | -78.3 | 0 | 0 | 0 | 107.4 | M242 | M242-N244 PolarHBondContact O-N 3.3Š|
| 245 | D | 51.4 | Low | 53.9 | Low | 134 Ų | 134 | 141.3 Ų | 141.3 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -76.3 | 159.2 | -147.2 | -70.1 | -94.7 | 0 | 0 | 0 | 117.3 | S247 | D245-S247 WeakPolarHBondContact CB-OG 2.91Å; D245-S247 PolarHBondContact O-N 2.94Å |
| 246 | E | 52.8 | Low | 54.1 | Low | 200 Ų | 200 | 140.4 Ų | 140.4 | 94% | 0.935 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -67.5 | 65.3 | 163.9 | -174.6 | 90.5 | -131.3 | 0 | 0 | 109.3 | | |
| 247 | S | 56.7 | Low | 54 | Low | 91 Ų | 91 | 144.6 Ų | 144.6 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -145.5 | 72.5 | -166.5 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | D245 | D245-S247 WeakPolarHBondContact CB-OG 2.91Å; D245-S247 PolarHBondContact O-N 2.94Å |
| 248 | N | 56.5 | Low | 54.1 | Low | 133 Ų | 133 | 140.9 Ų | 140.9 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | | | trans | -163.4 | 11 | 146.5 | 62.9 | 11.3 | 0 | 0 | 0 | 115.5 | E250 | N248-E250 VanDerWaalsContact C-N 3.3Å; N248-E250 PolarHBondContact O-N 3.22Å; N248-E250 VanDerWaalsContact O-N 3.16Å |
| 249 | K | 53.4 | Low | 54.5 | Low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 38.7 | -172.1 | -154.5 | -156.5 | 171.7 | -173.3 | 0 | 114.9 | | |
| 250 | E | 50.9 | Low | 54.4 | Low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -3.4 | -178.1 | -65.3 | -169.2 | 134.9 | 0 | 0 | 114.4 | N248 | N248-E250 VanDerWaalsContact C-N 3.3Å; N248-E250 PolarHBondContact O-N 3.22Å; N248-E250 VanDerWaalsContact O-N 3.16Å |
| 251 | N | 53.1 | Low | 54.7 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.9 | -7.4 | -174.6 | 64.9 | 13.1 | 0 | 0 | 0 | 115.5 | | |
| 252 | S | 51.4 | Low | 55.1 | Low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -102.9 | -0.9 | -172.7 | 78.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 253 | S | 55.1 | Low | 56.5 | Low | 79 Ų | 79 | 132.2 Ų | 132.2 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -118.9 | -8.3 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 254 | E | 52.7 | Low | 57.6 | Low | 118 Ų | 118 | 126.2 Ų | 126.2 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -82.3 | -39.9 | 178.8 | -166.3 | 177 | 158.3 | 0 | 0 | 111.7 | Y257 L258 | E254-Y257 PolarHBondContact O-N 3.48Å; E254-L258 PolarHBondContact O-N 3.48Å |
| 255 | M | 56.2 | Low | 59.1 | Low | 137 Ų | 137 | 124.4 Ų | 124.4 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.5 | -48.6 | -179.6 | -67.5 | -64.5 | -158.1 | 0 | 0 | 112.8 | Y257 L258 E259 | M255-Y257 PolarHBondContact O-N 3.23Å; M255-Y257 VanDerWaalsContact O-N 3.14Å; M255-L258 PolarHBondContact O-N 2.93Å; M255-E259 PolarHBondContact O-N 3.46Å; M255-E259 VanDerWaalsContact O-N 3.16Å |
| 256 | D | 58.9 | Low | 60.6 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 57% | 0.572 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.5 | -24.6 | 179.3 | -64.2 | 5.3 | 0 | 0 | 0 | 112.9 | N260 | D256-N260 PolarHBondContact O-ND2 3.27Å |
| 257 | Y | 55.2 | Low | 62.1 | Low | 192 Ų | 192 | 117 Ų | 117 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.3 | -29.2 | 177.6 | -136 | -85.7 | 0 | 0 | 0 | 112.3 | E254 M255 A261 | E254-Y257 PolarHBondContact O-N 3.48Å; M255-Y257 PolarHBondContact O-N 3.23Å; M255-Y257 VanDerWaalsContact O-N 3.14Å; Y257-A261 PolarHBondContact O-N 3.43Å |
| 258 | L | 56.5 | Low | 63.6 | Low | 85 Ų | 85 | 116.2 Ų | 116.2 | 45% | 0.445 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.4 | -34.8 | 177.4 | -69.2 | 171.6 | 0 | 0 | 0 | 112.7 | E254 M255 N260 A261 | E254-L258 PolarHBondContact O-N 3.48Å; M255-L258 PolarHBondContact O-N 2.93Å; L258-N260 PolarHBondContact O-N 2.88Å; L258-A261 PolarHBondContact O-N 3.16Å |
| 259 | E | 54.3 | Low | 65 | Low | 171 Ų | 171 | 112 Ų | 112 | 80% | 0.799 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.3 | -30.1 | 174.8 | -173 | 167.8 | -151.1 | 0 | 0 | 112.1 | M255 | M255-E259 PolarHBondContact O-N 3.46Å; M255-E259 VanDerWaalsContact O-N 3.16Å |
| 260 | N | 58.7 | Low | 66.8 | Low | 126 Ų | 126 | 106 Ų | 106 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 0.4 | 178.7 | -67.6 | -65 | 0 | 0 | 0 | 114.2 | D256 L258 T262 | D256-N260 PolarHBondContact O-ND2 3.27Å; L258-N260 PolarHBondContact O-N 2.88Å; N260-T262 PolarHBondContact O-N 2.91Å |
| 261 | A | 58.9 | Low | 68.8 | Low | 36 Ų | 36 | 102.4 Ų | 102.4 | 30% | 0.298 | 57% | 0.572 | S | S | . | * | | | trans | -79.7 | 83.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y257 L258 V263 I264 | Y257-A261 PolarHBondContact O-N 3.43Å; L258-A261 PolarHBondContact O-N 3.16Å; A261-V263 PolarHBondContact O-N 2.96Å; A261-I264 HydrophobicContact CB-CD1 3.65Å |
| 262 | T | 65.8 | Low | 70.6 | Confident | 143 Ų | 143 | 102.9 Ų | 102.9 | 88% | 0.877 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -61.3 | -10.4 | -179.2 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | N260 | N260-T262 PolarHBondContact O-N 2.91Š|
| 263 | V | 79 | Confident | 72.6 | Confident | 128 Ų | 128 | 102.2 Ų | 102.2 | 78% | 0.776 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -132.6 | 112.4 | 172 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | A261 | A261-V263 PolarHBondContact O-N 2.96Š|
| 264 | I | 79.7 | Confident | 74.3 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | | | trans | -101.7 | 129.4 | 174.9 | -56.6 | -64.3 | 0 | 0 | 0 | 109.5 | A261 E266 L269 | A261-I264 HydrophobicContact CB-CD1 3.65Å; I264-E266 PolarHBondContact O-N 3.11Å; I264-L269 HydrophobicContact CG2-CD1 4.08Å; I264-L269 HydrophobicContact CG2-CD2 4Å; I264-L269 HydrophobicContact CG2-CG 4.23Å |
| 265 | D | 84.2 | Confident | 76.3 | Confident | 97 Ų | 97 | 107 Ų | 107 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | | | trans | -81.1 | 104.4 | 166.8 | -177 | -4.4 | 0 | 0 | 0 | 110.2 | S267 A268 | D265-S267 VanDerWaalsContact CG-OG 3.3Å; D265-S267 PolarHBondContact O-N 3.28Å; D265-S267 VanDerWaalsContact O-N 3.13Å; D265-S267 WeakPolarHBondContact OD1-CB 3.36Å; D265-S267 PolarHBondContact OD1-N 3.38Å; D265-S267 PolarHBondContact OD1-OG 3.35Å; D265-S267 PolarHBondContact OD2-OG 2.86Å; D265-A268 HydrophobicContact CB-CB 4.21Å; D265-A268 PolarHBondContact O-N 3.23Å |
| 266 | E | 82.5 | Confident | 78.2 | Confident | 76 Ų | 76 | 102.1 Ų | 102.1 | 36% | 0.355 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.3 | 178.9 | -62.9 | 176 | -101 | 0 | 0 | 114 | I264 R291 K294 | I264-E266 PolarHBondContact O-N 3.11Å; E266-R291 IonicContact OE1-NH2 2.71Å; E266-R291 PolarHBondContact OE1-NH2 2.92Å; E266-R291 IonicContact OE2-CZ 2.67Å; E266-R291 VanDerWaalsContact OE2-CZ 3.26Å; E266-R291 IonicContact OE2-NH1 3.36Å; E266-R291 PolarHBondContact OE2-NH1 3.06Å; E266-R291 IonicContact OE2-NH2 3.06Å; E266-R291 PolarHBondContact OE2-NH2 2.92Å; E266-K294 IonicContact OE1-NZ 3.65Å; E266-K294 PolarHBondContact OE1-NZ 3.43Å |
| 267 | S | 83.9 | Confident | 79.7 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -20.4 | 179.6 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | D265 | D265-S267 VanDerWaalsContact CG-OG 3.3Å; D265-S267 PolarHBondContact O-N 3.28Å; D265-S267 VanDerWaalsContact O-N 3.13Å; D265-S267 WeakPolarHBondContact OD1-CB 3.36Å; D265-S267 PolarHBondContact OD1-N 3.38Å; D265-S267 PolarHBondContact OD1-OG 3.35Å; D265-S267 PolarHBondContact OD2-OG 2.86Å |
| 268 | A | 89.1 | Confident | 81.5 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -11.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D265 | D265-A268 HydrophobicContact CB-CB 4.21Å; D265-A268 PolarHBondContact O-N 3.23Å |
| 269 | L | 85.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 99 Ų | 99 | 23% | 0.225 | 54% | 0.54 | C | S | . | . | | | trans | -68.5 | 137 | -178.5 | -66 | 174 | 0 | 0 | 0 | 112.7 | I264 Q273 L277 | I264-L269 HydrophobicContact CG2-CD1 4.08Å; I264-L269 HydrophobicContact CG2-CD2 4Å; I264-L269 HydrophobicContact CG2-CG 4.23Å; L269-Q273 HydrophobicContact CD2-CB 4.2Å; L269-L277 HydrophobicContact CD1-CD1 3.67Å; L269-L277 HydrophobicContact CD2-CD1 3.96Å; L269-L277 HydrophobicContact CG-CD1 4.48Å |
| 270 | T | 91.6 | Very high | 85.2 | Confident | 60 Ų | 60 | 93 Ų | 93 | 37% | 0.368 | 52% | 0.52 | S | S | . | . | | | trans | -68.4 | 158.3 | 167.6 | 84.5 | 0 | 0 | 0 | 0 | 111.2 | E272 Q273 R274 | T270-E272 WeakPolarHBondContact CB-OE2 3.44Å; T270-E272 PolarHBondContact O-N 3.36Å; T270-E272 PolarHBondContact OG1-N 3.04Å; T270-E272 PolarHBondContact OG1-OE2 2.97Å; T270-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact OG1-N 2.86Å; T270-R274 WeakPolarHBondContact O-CB 3.4Å; T270-R274 PolarHBondContact O-N 3.09Å |
| 271 | P | 91.9 | Very high | 86.7 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -54.3 | -37.1 | 175 | -26.5 | 35.8 | 0 | 0 | 0 | 113.4 | R274 L275 | P271-R274 PolarHBondContact O-N 2.97Å; P271-L275 WeakPolarHBondContact O-CB 3.36Å; P271-L275 PolarHBondContact O-N 3.22Å |
| 272 | E | 91.8 | Very high | 88.4 | Confident | 132 Ų | 132 | 93.5 Ų | 93.5 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.4 | -45.6 | -179.6 | -58.9 | 67.8 | -146.3 | 0 | 0 | 111.3 | T270 R274 L275 G276 | T270-E272 WeakPolarHBondContact CB-OE2 3.44Å; T270-E272 PolarHBondContact O-N 3.36Å; T270-E272 PolarHBondContact OG1-N 3.04Å; T270-E272 PolarHBondContact OG1-OE2 2.97Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 2.71Å; E272-L275 PolarHBondContact O-N 2.89Å; E272-G276 PolarHBondContact O-N 3.08Å |
| 273 | Q | 93.4 | Very high | 89.8 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.3 | -71.2 | 171.3 | -24.9 | 0 | 0 | 110.8 | L269 T270 L275 G276 L277 | L269-Q273 HydrophobicContact CD2-CB 4.2Å; T270-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact OG1-N 2.86Å; Q273-L275 VanDerWaalsContact C-N 3.34Å; Q273-L275 PolarHBondContact O-N 2.94Å; Q273-G276 PolarHBondContact O-N 3.38Å; Q273-L277 WeakPolarHBondContact O-CB 3.42Å; Q273-L277 VanDerWaalsContact O-CG 3.3Å; Q273-L277 WeakPolarHBondContact O-CG 3.33Å; Q273-L277 PolarHBondContact O-N 3.03Å |
| 274 | R | 91.6 | Very high | 90.5 | Very high | 171 Ų | 171 | 92.3 Ų | 92.3 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 178.2 | -171.9 | 175.9 | -179.3 | 179.2 | 1.6 | 112.6 | T270 P271 E272 K278 | T270-R274 WeakPolarHBondContact O-CB 3.4Å; T270-R274 PolarHBondContact O-N 3.09Å; P271-R274 PolarHBondContact O-N 2.97Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 2.71Å; R274-K278 PolarHBondContact O-N 2.85Å; R274-K278 VanDerWaalsContact O-N 3.09Å |
| 275 | L | 94.8 | Very high | 91.2 | Very high | 125 Ų | 125 | 92.3 Ų | 92.3 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67 | -47.2 | 174 | 180 | 62.7 | 0 | 0 | 0 | 111.5 | P271 E272 Q273 L277 K278 Q279 | P271-L275 WeakPolarHBondContact O-CB 3.36Å; P271-L275 PolarHBondContact O-N 3.22Å; E272-L275 PolarHBondContact O-N 2.89Å; Q273-L275 VanDerWaalsContact C-N 3.34Å; Q273-L275 PolarHBondContact O-N 2.94Å; L275-L277 VanDerWaalsContact C-N 3.35Å; L275-L277 PolarHBondContact O-N 3.02Å; L275-K278 PolarHBondContact O-N 2.77Å; L275-Q279 PolarHBondContact O-N 3.3Å |
| 276 | G | 94.5 | Very high | 91.7 | Very high | 36 Ų | 36 | 94.2 Ų | 94.2 | 37% | 0.371 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E272 Q273 Q279 A280 | E272-G276 PolarHBondContact O-N 3.08Å; Q273-G276 PolarHBondContact O-N 3.38Å; G276-Q279 PolarHBondContact O-N 3.16Å; G276-A280 PolarHBondContact O-N 3.02Å |
| 277 | L | 91.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 94.8 Ų | 94.8 | 45% | 0.45 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 174.5 | -74.1 | 166.4 | 0 | 0 | 0 | 112.4 | L269 Q273 L275 Q279 A280 E281 | L269-L277 HydrophobicContact CD1-CD1 3.67Å; L269-L277 HydrophobicContact CD2-CD1 3.96Å; L269-L277 HydrophobicContact CG-CD1 4.48Å; Q273-L277 WeakPolarHBondContact O-CB 3.42Å; Q273-L277 VanDerWaalsContact O-CG 3.3Å; Q273-L277 WeakPolarHBondContact O-CG 3.33Å; Q273-L277 PolarHBondContact O-N 3.03Å; L275-L277 VanDerWaalsContact C-N 3.35Å; L275-L277 PolarHBondContact O-N 3.02Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.21Å; L277-A280 PolarHBondContact O-N 3.27Å; L277-E281 WeakPolarHBondContact O-CB 3.5Å; L277-E281 PolarHBondContact O-N 3.33Å |
| 278 | K | 93.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 97.3 Ų | 97.3 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 175.6 | -174.5 | 63 | -119.4 | 172.3 | 0 | 112.2 | R274 L275 E281 E282 E285 | R274-K278 PolarHBondContact O-N 2.85Å; R274-K278 VanDerWaalsContact O-N 3.09Å; L275-K278 PolarHBondContact O-N 2.77Å; K278-E281 VanDerWaalsContact CD-OE2 3.28Å; K278-E281 WeakPolarHBondContact CD-OE2 3.49Å; K278-E281 VanDerWaalsContact CE-OE2 3.28Å; K278-E281 WeakPolarHBondContact CE-OE2 3.41Å; K278-E281 IonicContact NZ-OE1 3.62Å; K278-E281 IonicContact NZ-OE2 2.65Å; K278-E281 PolarHBondContact NZ-OE2 2.91Å; K278-E281 PolarHBondContact O-N 3.14Å; K278-E282 PolarHBondContact O-N 3.24Å; K278-E285 IonicContact NZ-OE1 2.77Å; K278-E285 PolarHBondContact NZ-OE1 3.06Å |
| 279 | Q | 94.8 | Very high | 92.8 | Very high | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.7 | -36.7 | 173.1 | -169.2 | -179 | 15.7 | 0 | 0 | 112.2 | L275 G276 L277 R283 | L275-Q279 PolarHBondContact O-N 3.3Å; G276-Q279 PolarHBondContact O-N 3.16Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.21Å; Q279-R283 WeakPolarHBondContact O-CB 3.28Å; Q279-R283 PolarHBondContact O-N 2.85Å |
| 280 | A | 92.1 | Very high | 93 | Very high | 45 Ų | 45 | 102.5 Ų | 102.5 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G276 L277 R283 L284 | G276-A280 PolarHBondContact O-N 3.02Å; L277-A280 PolarHBondContact O-N 3.27Å; A280-R283 WeakPolarHBondContact O-CB 3.28Å; A280-R283 PolarHBondContact O-N 3.22Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.32Å |
| 281 | E | 91.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 106.6 Ų | 106.6 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 173.1 | -166.6 | -179 | -169.7 | 0 | 0 | 111.2 | L277 K278 R283 L284 E285 R291 | L277-E281 WeakPolarHBondContact O-CB 3.5Å; L277-E281 PolarHBondContact O-N 3.33Å; K278-E281 VanDerWaalsContact CD-OE2 3.28Å; K278-E281 WeakPolarHBondContact CD-OE2 3.49Å; K278-E281 VanDerWaalsContact CE-OE2 3.28Å; K278-E281 WeakPolarHBondContact CE-OE2 3.41Å; K278-E281 IonicContact NZ-OE1 3.62Å; K278-E281 IonicContact NZ-OE2 2.65Å; K278-E281 PolarHBondContact NZ-OE2 2.91Å; K278-E281 PolarHBondContact O-N 3.14Å; E281-R283 PolarHBondContact O-N 3.25Å; E281-L284 CarbonylContact O-C 3.59Å; E281-L284 WeakPolarHBondContact O-CA 3.42Å; E281-L284 WeakPolarHBondContact O-CB 3.3Å; E281-L284 PolarHBondContact O-N 2.99Å; E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3Å; E281-R291 HydrophobicContact CG-CB 4.37Å; E281-R291 WeakPolarHBondContact OE1-CB 3.25Å; E281-R291 VanDerWaalsContact OE1-CD 3.25Å; E281-R291 WeakPolarHBondContact OE1-CD 3.35Å |
| 282 | E | 92.8 | Very high | 92.6 | Very high | 126 Ų | 126 | 106.7 Ų | 106.7 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -38.2 | 173.5 | -171.2 | -161.8 | 143.4 | 0 | 0 | 111.9 | K278 L284 | K278-E282 PolarHBondContact O-N 3.24Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 3.13Å |
| 283 | R | 96.1 | Very high | 92.3 | Very high | 171 Ų | 171 | 106.2 Ų | 106.2 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -40.2 | 175 | -171 | -174.8 | 174.3 | 81.9 | 7.2 | 111.2 | Q279 A280 E281 R286 | Q279-R283 WeakPolarHBondContact O-CB 3.28Å; Q279-R283 PolarHBondContact O-N 2.85Å; A280-R283 WeakPolarHBondContact O-CB 3.28Å; A280-R283 PolarHBondContact O-N 3.22Å; E281-R283 PolarHBondContact O-N 3.25Å; R283-R286 VanDerWaalsContact CG-NH2 3.34Å; R283-R286 PolarHBondContact O-NH2 2.66Å |
| 284 | L | 94.7 | Very high | 91.8 | Very high | 75 Ų | 75 | 109.8 Ų | 109.8 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.1 | -32.9 | -178.7 | -75 | 165.6 | 0 | 0 | 0 | 113.5 | A280 E281 E282 R286 D287 H288 I289 | A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.32Å; E281-L284 CarbonylContact O-C 3.59Å; E281-L284 WeakPolarHBondContact O-CA 3.42Å; E281-L284 WeakPolarHBondContact O-CB 3.3Å; E281-L284 PolarHBondContact O-N 2.99Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 3.13Å; L284-R286 VanDerWaalsContact C-N 3.25Å; L284-R286 PolarHBondContact O-N 3.37Å; L284-D287 CarbonylContact O-C 3.37Å; L284-D287 WeakPolarHBondContact O-CA 3.43Å; L284-D287 PolarHBondContact O-N 3.26Å; L284-H288 PolarHBondContact O-N 3.37Å; L284-I289 CarbonylContact C-O 3.26Å; L284-I289 VanDerWaalsContact C-O 3.26Å; L284-I289 HydrophobicContact CB-CB 4.07Å; L284-I289 HydrophobicContact CB-CG2 4.25Å; L284-I289 HydrophobicContact CD2-CB 4.19Å; L284-I289 HydrophobicContact CD2-CD1 3.9Å; L284-I289 HydrophobicContact CD2-CG2 4.21Å; L284-I289 PolarHBondContact O-N 2.96Å |
| 285 | E | 93 | Very high | 91 | Very high | 72 Ų | 72 | 106.1 Ų | 106.1 | 34% | 0.336 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.3 | -38.5 | 177.5 | -74.8 | 178.3 | -147.8 | 0 | 0 | 111.8 | K278 E281 D287 H288 I289 F290 | K278-E285 IonicContact NZ-OE1 2.77Å; K278-E285 PolarHBondContact NZ-OE1 3.06Å; E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3Å; E285-D287 PolarHBondContact O-N 3.08Å; E285-H288 PolarHBondContact O-N 2.86Å; E285-H288 VanDerWaalsContact O-N 3.11Å; E285-I289 PolarHBondContact N-O 2.77Å; E285-F290 HydrophobicContact CB-CD1 4.34Å; E285-F290 HydrophobicContact CB-CE1 4Å; E285-F290 HydrophobicContact CG-CD1 3.87Å; E285-F290 HydrophobicContact CG-CE1 3.99Å |
| 286 | R | 94.7 | Very high | 90.1 | Very high | 137 Ų | 137 | 107.2 Ų | 107.2 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.2 | 174.1 | -65.5 | -173.1 | -59.2 | 80.3 | 17.5 | 113.7 | R283 L284 H288 | R283-R286 VanDerWaalsContact CG-NH2 3.34Å; R283-R286 PolarHBondContact O-NH2 2.66Å; L284-R286 VanDerWaalsContact C-N 3.25Å; L284-R286 PolarHBondContact O-N 3.37Å; R286-H288 VanDerWaalsContact C-N 3.25Å |
| 287 | D | 95.9 | Very high | 89.2 | Confident | 89 Ų | 89 | 112.2 Ų | 112.2 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 16.9 | -179.2 | -51.8 | -31.8 | 0 | 0 | 0 | 110 | L284 E285 I289 | L284-D287 CarbonylContact O-C 3.37Å; L284-D287 WeakPolarHBondContact O-CA 3.43Å; L284-D287 PolarHBondContact O-N 3.26Å; E285-D287 PolarHBondContact O-N 3.08Å; D287-I289 VanDerWaalsContact C-N 3.3Å; D287-I289 PolarHBondContact O-N 3.49Å |
| 288 | H | 92.2 | Very high | 88.3 | Confident | 154 Ų | 154 | 112 Ų | 112 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 21.7 | 178.1 | -54.7 | -36.7 | 0 | 0 | 0 | 116.1 | L284 E285 R286 F290 | L284-H288 PolarHBondContact O-N 3.37Å; E285-H288 PolarHBondContact O-N 2.86Å; E285-H288 VanDerWaalsContact O-N 3.11Å; R286-H288 VanDerWaalsContact C-N 3.25Å; H288-F290 HydrophobicContact CB-CE2 4.18Å; H288-F290 VanDerWaalsContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CE2 3Å |
| 289 | I | 91.7 | Very high | 87.4 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | | | trans | -99.5 | 113.9 | 174.6 | -64.2 | 166.7 | 0 | 0 | 0 | 108.2 | L284 E285 D287 | L284-I289 CarbonylContact C-O 3.26Å; L284-I289 VanDerWaalsContact C-O 3.26Å; L284-I289 HydrophobicContact CB-CB 4.07Å; L284-I289 HydrophobicContact CB-CG2 4.25Å; L284-I289 HydrophobicContact CD2-CB 4.19Å; L284-I289 HydrophobicContact CD2-CD1 3.9Å; L284-I289 HydrophobicContact CD2-CG2 4.21Å; L284-I289 PolarHBondContact O-N 2.96Å; E285-I289 PolarHBondContact N-O 2.77Å; D287-I289 VanDerWaalsContact C-N 3.3Å; D287-I289 PolarHBondContact O-N 3.49Å |
| 290 | F | 89.7 | Confident | 86.6 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | | | trans | -115 | 145.1 | -173.4 | -62 | -81.6 | 0 | 0 | 0 | 112.1 | E285 H288 L292 | E285-F290 HydrophobicContact CB-CD1 4.34Å; E285-F290 HydrophobicContact CB-CE1 4Å; E285-F290 HydrophobicContact CG-CD1 3.87Å; E285-F290 HydrophobicContact CG-CE1 3.99Å; H288-F290 HydrophobicContact CB-CE2 4.18Å; H288-F290 VanDerWaalsContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CD2 3.31Å; H288-F290 WeakPolarHBondContact O-CE2 3Å; F290-L292 PolarHBondContact O-N 2.84Å |
| 291 | R | 88.5 | Confident | 85.8 | Confident | 147 Ų | 147 | 110.3 Ų | 110.3 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | | | trans | -71.9 | 115.4 | 171.4 | -171 | 175.2 | -170.8 | -144.7 | -11.5 | 110.3 | E266 E281 | E266-R291 IonicContact OE1-NH2 2.71Å; E266-R291 PolarHBondContact OE1-NH2 2.92Å; E266-R291 IonicContact OE2-CZ 2.67Å; E266-R291 VanDerWaalsContact OE2-CZ 3.26Å; E266-R291 IonicContact OE2-NH1 3.36Å; E266-R291 PolarHBondContact OE2-NH1 3.06Å; E266-R291 IonicContact OE2-NH2 3.06Å; E266-R291 PolarHBondContact OE2-NH2 2.92Å; E281-R291 HydrophobicContact CG-CB 4.37Å; E281-R291 WeakPolarHBondContact OE1-CB 3.25Å; E281-R291 VanDerWaalsContact OE1-CD 3.25Å; E281-R291 WeakPolarHBondContact OE1-CD 3.35Å |
| 292 | L | 86.4 | Confident | 84.9 | Confident | 97 Ų | 97 | 112.2 Ų | 112.2 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | | | trans | -72.5 | 128.5 | 173.7 | -68.2 | 176.5 | 0 | 0 | 0 | 110.9 | F290 Y297 L300 | F290-L292 PolarHBondContact O-N 2.84Å; L292-Y297 HydrophobicContact CD1-CD2 4.28Å; L292-L300 HydrophobicContact CD1-CD1 4.03Å; L292-L300 HydrophobicContact CD2-CD1 4.3Å |
| 293 | E | 85.3 | Confident | 84 | Confident | 123 Ų | 123 | 114.7 Ų | 114.7 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | | | trans | -67.7 | 141.6 | 166.7 | 165.6 | 174.4 | -137 | 0 | 0 | 110.3 | V295 Y296 Y297 | E293-V295 HydrophobicContact CG-CB 4.46Å; E293-V295 PolarHBondContact O-N 2.87Å; E293-Y296 HydrophobicContact CB-CD2 4.03Å; E293-Y296 HydrophobicContact CG-CD2 4.29Å; E293-Y296 PolarHBondContact O-N 3.39Å; E293-Y296 WeakPolarHBondContact OE2-CE2 3.35Å; E293-Y297 PolarHBondContact O-N 3.43Å; E293-Y297 VanDerWaalsContact O-N 3.08Å |
| 294 | K | 82.1 | Confident | 83 | Confident | 145 Ų | 145 | 108.1 Ų | 108.1 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.3 | -31.5 | -171.3 | -69.1 | 168.9 | -176.6 | 160.2 | 0 | 113.4 | E266 V298 | E266-K294 IonicContact OE1-NZ 3.65Å; E266-K294 PolarHBondContact OE1-NZ 3.43Å; K294-V298 WeakPolarHBondContact O-CG2 3.33Å; K294-V298 PolarHBondContact O-N 3.07Å |
| 295 | V | 75.2 | Confident | 81.9 | Confident | 94 Ų | 94 | 111 Ų | 111 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -47.9 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | E293 Y297 V298 V299 | E293-V295 HydrophobicContact CG-CB 4.46Å; E293-V295 PolarHBondContact O-N 2.87Å; V295-Y297 VanDerWaalsContact C-N 3.34Å; V295-Y297 PolarHBondContact O-N 3.26Å; V295-V298 PolarHBondContact O-N 3.02Å; V295-V299 WeakPolarHBondContact O-CG2 3.38Å; V295-V299 PolarHBondContact O-N 3.18Å |
| 296 | Y | 74.8 | Confident | 80.8 | Confident | 148 Ų | 148 | 114.1 Ų | 114.1 | 58% | 0.58 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.9 | -34.9 | 179.1 | -68.9 | -88.6 | 0 | 0 | 0 | 112 | E293 V299 L300 | E293-Y296 HydrophobicContact CB-CD2 4.03Å; E293-Y296 HydrophobicContact CG-CD2 4.29Å; E293-Y296 PolarHBondContact O-N 3.39Å; E293-Y296 WeakPolarHBondContact OE2-CE2 3.35Å; Y296-V299 PolarHBondContact O-N 2.9Å; Y296-L300 WeakPolarHBondContact O-CB 3.43Å; Y296-L300 WeakPolarHBondContact O-CG 3.42Å; Y296-L300 PolarHBondContact O-N 2.94Å |
| 297 | Y | 77 | Confident | 79.4 | Confident | 142 Ų | 142 | 111.7 Ų | 111.7 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60 | -47.8 | 173.3 | -176.6 | -95.8 | 0 | 0 | 0 | 111.7 | L292 E293 V295 V299 L300 V301 | L292-Y297 HydrophobicContact CD1-CD2 4.28Å; E293-Y297 PolarHBondContact O-N 3.43Å; E293-Y297 VanDerWaalsContact O-N 3.08Å; V295-Y297 VanDerWaalsContact C-N 3.34Å; V295-Y297 PolarHBondContact O-N 3.26Å; Y297-V299 PolarHBondContact O-N 3.45Å; Y297-L300 PolarHBondContact O-N 3.15Å; Y297-V301 HydrophobicContact CD1-CG2 4.18Å; Y297-V301 HydrophobicContact CE1-CG2 3.75Å; Y297-V301 HydrophobicContact CE2-CG2 4.35Å; Y297-V301 WeakPolarHBondContact O-CG2 3.3Å; Y297-V301 PolarHBondContact O-N 3.49Å |
| 298 | V | 72.3 | Confident | 78.1 | Confident | 81 Ų | 81 | 113.8 Ų | 113.8 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.9 | -42 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K294 V295 V301 I302 | K294-V298 WeakPolarHBondContact O-CG2 3.33Å; K294-V298 PolarHBondContact O-N 3.07Å; V295-V298 PolarHBondContact O-N 3.02Å; V298-V301 PolarHBondContact O-N 3.48Å; V298-I302 HydrophobicContact CG1-CD1 3.71Å; V298-I302 HydrophobicContact CG1-CG1 4.48Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.35Å |
| 299 | V | 74.5 | Confident | 76.2 | Confident | 82 Ų | 82 | 114.1 Ų | 114.1 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | V295 Y296 Y297 W303 | V295-V299 WeakPolarHBondContact O-CG2 3.38Å; V295-V299 PolarHBondContact O-N 3.18Å; Y296-V299 PolarHBondContact O-N 2.9Å; Y297-V299 PolarHBondContact O-N 3.45Å; V299-W303 WeakPolarHBondContact O-CB 3.22Å; V299-W303 PolarHBondContact O-N 2.93Å |
| 300 | L | 77 | Confident | 75.4 | Confident | 100 Ų | 100 | 115 Ų | 115 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -40.5 | 176.7 | -84.1 | 161 | 0 | 0 | 0 | 112.6 | L292 Y296 Y297 G304 | L292-L300 HydrophobicContact CD1-CD1 4.03Å; L292-L300 HydrophobicContact CD2-CD1 4.3Å; Y296-L300 WeakPolarHBondContact O-CB 3.43Å; Y296-L300 WeakPolarHBondContact O-CG 3.42Å; Y296-L300 PolarHBondContact O-N 2.94Å; Y297-L300 PolarHBondContact O-N 3.15Å; L300-G304 PolarHBondContact O-N 3.13Å |
| 301 | V | 76.2 | Confident | 74.7 | Confident | 61 Ų | 61 | 114.2 Ų | 114.2 | 37% | 0.37 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -49.2 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Y297 V298 W303 G304 E305 | Y297-V301 HydrophobicContact CD1-CG2 4.18Å; Y297-V301 HydrophobicContact CE1-CG2 3.75Å; Y297-V301 HydrophobicContact CE2-CG2 4.35Å; Y297-V301 WeakPolarHBondContact O-CG2 3.3Å; Y297-V301 PolarHBondContact O-N 3.49Å; V298-V301 PolarHBondContact O-N 3.48Å; V301-W303 PolarHBondContact O-N 3.35Å; V301-G304 WeakPolarHBondContact O-CA 3.47Å; V301-G304 PolarHBondContact O-N 2.89Å; V301-G304 VanDerWaalsContact O-N 3.13Å; V301-E305 PolarHBondContact O-N 3.37Å |
| 302 | I | 72.9 | Confident | 73.9 | Confident | 86 Ų | 86 | 112.4 Ų | 112.4 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62 | -43.5 | 178.6 | -67.2 | 168.5 | 0 | 0 | 0 | 110.9 | V298 G304 E305 M306 | V298-I302 HydrophobicContact CG1-CD1 3.71Å; V298-I302 HydrophobicContact CG1-CG1 4.48Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.35Å; I302-G304 VanDerWaalsContact C-N 3.29Å; I302-G304 PolarHBondContact O-N 3.44Å; I302-E305 PolarHBondContact O-N 3.35Å; I302-M306 HydrophobicContact CG2-CG 4.37Å; I302-M306 HydrophobicContact CG2-SD 3.94Å; I302-M306 WeakPolarHBondContact O-CB 3.43Å; I302-M306 VanDerWaalsContact O-CG 3.28Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 3.34Å |
| 303 | W | 73.6 | Confident | 73.1 | Confident | 177 Ų | 177 | 113.3 Ų | 113.3 | 67% | 0.67 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.7 | -36.4 | 175.6 | -169 | -74 | 0 | 0 | 0 | 111.8 | V299 V301 M306 C307 | V299-W303 WeakPolarHBondContact O-CB 3.22Å; V299-W303 PolarHBondContact O-N 2.93Å; V301-W303 PolarHBondContact O-N 3.35Å; W303-M306 PolarHBondContact O-N 3.49Å; W303-C307 PolarHBondContact NE1-SG 2.95Å; W303-C307 VanDerWaalsContact NE1-SG 3.35Å; W303-C307 WeakPolarHBondContact O-CB 3.28Å; W303-C307 PolarHBondContact O-N 3.44Å |
| 304 | G | 76.2 | Confident | 72.4 | Confident | 34 Ų | 34 | 112.7 Ų | 112.7 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.8 | -50.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L300 V301 I302 M306 C307 V308 | L300-G304 PolarHBondContact O-N 3.13Å; V301-G304 WeakPolarHBondContact O-CA 3.47Å; V301-G304 PolarHBondContact O-N 2.89Å; V301-G304 VanDerWaalsContact O-N 3.13Å; I302-G304 VanDerWaalsContact C-N 3.29Å; I302-G304 PolarHBondContact O-N 3.44Å; G304-M306 PolarHBondContact O-N 2.98Å; G304-C307 PolarHBondContact O-N 3.45Å; G304-V308 VanDerWaalsContact O-CG2 3.28Å; G304-V308 WeakPolarHBondContact O-CG2 3.38Å; G304-V308 PolarHBondContact O-N 2.95Å |
| 305 | E | 70.3 | Confident | 71.7 | Confident | 135 Ų | 135 | 110.5 Ų | 110.5 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 176.4 | -67.2 | -172.5 | 138.4 | 0 | 0 | 112.1 | V301 I302 C307 V308 S309 | V301-E305 PolarHBondContact O-N 3.37Å; I302-E305 PolarHBondContact O-N 3.35Å; E305-C307 VanDerWaalsContact C-N 3.32Å; E305-C307 PolarHBondContact O-N 2.99Å; E305-V308 PolarHBondContact O-N 3.36Å; E305-S309 PolarHBondContact O-N 3.27Å; E305-S309 PolarHBondContact O-OG 3.41Å |
| 306 | M | 71 | Confident | 71.5 | Confident | 137 Ų | 137 | 111.7 Ų | 111.7 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.2 | -22.9 | 178.8 | -73.3 | -175.3 | 69.5 | 0 | 0 | 114.4 | I302 W303 G304 | I302-M306 HydrophobicContact CG2-CG 4.37Å; I302-M306 HydrophobicContact CG2-SD 3.94Å; I302-M306 WeakPolarHBondContact O-CB 3.43Å; I302-M306 VanDerWaalsContact O-CG 3.28Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 3.34Å; W303-M306 PolarHBondContact O-N 3.49Å; G304-M306 PolarHBondContact O-N 2.98Å |
| 307 | C | 65.7 | Low | 71.2 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -1 | 174.7 | -78 | 0 | 0 | 0 | 0 | 114.1 | W303 G304 E305 | W303-C307 PolarHBondContact NE1-SG 2.95Å; W303-C307 VanDerWaalsContact NE1-SG 3.35Å; W303-C307 WeakPolarHBondContact O-CB 3.28Å; W303-C307 PolarHBondContact O-N 3.44Å; G304-C307 PolarHBondContact O-N 3.45Å; E305-C307 VanDerWaalsContact C-N 3.32Å; E305-C307 PolarHBondContact O-N 2.99Å |
| 308 | V | 68.6 | Low | 70.8 | Confident | 132 Ų | 132 | 106.2 Ų | 106.2 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -3.2 | 179.7 | 174 | 0 | 0 | 0 | 0 | 112.1 | G304 E305 | G304-V308 VanDerWaalsContact O-CG2 3.28Å; G304-V308 WeakPolarHBondContact O-CG2 3.38Å; G304-V308 PolarHBondContact O-N 2.95Å; E305-V308 PolarHBondContact O-N 3.36Å |
| 309 | S | 50.9 | Low | 70.6 | Confident | 162 Ų | 162 | 108.5 Ų | 108.5 | 100% | 1.133 | 61% | 0.607 | S | S | * | * | | | trans | -102.5 | 0 | 177.3 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | E305 | E305-S309 PolarHBondContact O-N 3.27Å; E305-S309 PolarHBondContact O-OG 3.41Å |