| 1 | M | 44.8 | Very low | 49.4 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 95% | 0.946 | 70% | 0.698 | S | S | * | * | | | | 0 | -87.9 | 0 | -60.1 | -39 | -169.6 | 0 | 0 | 113.6 | V3 L4 L5 | M1-V3 PolarHBondContact O-N 2.9Å; M1-L4 PolarHBondContact O-N 3.18Å; M1-L5 PolarHBondContact O-N 3.11Å |
| 2 | S | 46 | Very low | 48.6 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -16.8 | -166.4 | -162.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 3 | V | 55.4 | Low | 47.9 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 54% | 0.539 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | -34.1 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | M1 S6 | M1-V3 PolarHBondContact O-N 2.9Å; V3-S6 WeakPolarHBondContact O-CB 3.29Å; V3-S6 PolarHBondContact O-N 2.79Å |
| 4 | L | 58.7 | Low | 47.4 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 61% | 0.613 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -70.4 | -39.7 | 178.7 | -64.3 | 170.7 | 0 | 0 | 0 | 111.1 | M1 S6 M7 | M1-L4 PolarHBondContact O-N 3.18Å; L4-S6 PolarHBondContact O-N 3.36Å; L4-S6 VanDerWaalsContact O-N 3.08Å; L4-M7 PolarHBondContact O-N 3.21Å |
| 5 | L | 60.2 | Low | 46.9 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -64.7 | -12.6 | 174.5 | -142 | 76 | 0 | 0 | 0 | 113.3 | M1 | M1-L5 PolarHBondContact O-N 3.11Š|
| 6 | S | 49.2 | Very low | 46.4 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -88 | -8.2 | 173.6 | -167.4 | 0 | 0 | 0 | 0 | 113.5 | V3 L4 | V3-S6 WeakPolarHBondContact O-CB 3.29Å; V3-S6 PolarHBondContact O-N 2.79Å; L4-S6 PolarHBondContact O-N 3.36Å; L4-S6 VanDerWaalsContact O-N 3.08Å |
| 7 | M | 51.1 | Low | 46.1 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -18 | 177.6 | -64 | -175.7 | 68.2 | 0 | 0 | 112.6 | L4 N9 | L4-M7 PolarHBondContact O-N 3.21Å; M7-N9 VanDerWaalsContact C-N 3.35Å |
| 8 | Q | 49.6 | Very low | 45.5 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -77.7 | -16.7 | 179.4 | -147 | 70.6 | 28.1 | 0 | 0 | 113.9 | S10 Q11 | Q8-S10 PolarHBondContact O-N 3.42Å; Q8-Q11 PolarHBondContact O-OE1 3.25Å |
| 9 | N | 45.8 | Very low | 45.1 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -97.8 | 44.3 | -174.6 | -70.5 | 14.5 | 0 | 0 | 0 | 112 | M7 | M7-N9 VanDerWaalsContact C-N 3.35Š|
| 10 | S | 42.5 | Very low | 44.8 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | | | trans | -147 | 40.2 | -177.7 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | Q8 T12 | Q8-S10 PolarHBondContact O-N 3.42Å; S10-T12 VanDerWaalsContact C-N 3.32Å; S10-T12 PolarHBondContact O-N 3.46Å |
| 11 | Q | 39.7 | Very low | 44.4 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | -67.2 | 89.8 | 159.3 | -99.3 | 76.6 | 18 | 0 | 0 | 110 | Q8 | Q8-Q11 PolarHBondContact O-OE1 3.25Š|
| 12 | T | 40.5 | Very low | 43.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | | | trans | -150.6 | 77.6 | 163 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | S10 | S10-T12 VanDerWaalsContact C-N 3.32Å; S10-T12 PolarHBondContact O-N 3.46Å |
| 13 | I | 39 | Very low | 43.5 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | | | trans | -159.9 | 124.8 | 148.5 | -94.7 | 142.5 | 0 | 0 | 0 | 105.6 | | |
| 14 | A | 41.1 | Very low | 42.6 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | -118.9 | 169.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 15 | N | 39.1 | Very low | 41.3 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | 67.5 | 79.1 | 172.9 | -51.5 | -11.2 | 0 | 0 | 0 | 115.7 | | |
| 16 | L | 40.4 | Very low | 40.2 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -123.5 | 150.3 | 138.3 | -94.9 | 95.8 | 0 | 0 | 0 | 109.5 | | |
| 17 | P | 41.2 | Very low | 39.4 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -75.1 | 153.9 | -174.3 | -14.1 | 30.7 | 0 | 0 | 0 | 113.2 | | |
| 18 | K | 34.7 | Very low | 38.5 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -95.8 | 121.3 | 165 | -60.4 | 173.7 | -178.4 | 174.8 | 0 | 108.5 | | |
| 19 | H | 38.5 | Very low | 37.8 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | trans | 170.6 | 93.1 | 143 | -99.2 | -73.8 | 0 | 0 | 0 | 111.9 | | |
| 20 | A | 37.7 | Very low | 37.2 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | -176.3 | 104.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 21 | I | 37.9 | Very low | 36.8 | Very low | 173 Ų | 173 | 147 Ų | 147 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | | 57.3 | 108.4 | 73.8 | -53.2 | 173.3 | 0 | 0 | 0 | 110.9 | | |
| 22 | G | 34.5 | Very low | 36.8 | Very low | 78 Ų | 78 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 157.4 | 103 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 23 | S | 37.2 | Very low | 36.5 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -73.2 | 164.5 | -174.1 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 24 | N | 35.4 | Very low | 36.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | trans | 81.1 | 100.2 | 160.5 | -49.7 | -36.8 | 0 | 0 | 0 | 118.1 | | |
| 25 | Y | 32.4 | Very low | 35.9 | Very low | 227 Ų | 227 | 147.2 Ų | 147.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | | -167.9 | 150.5 | 99.2 | -95.1 | -72 | 0 | 0 | 0 | 109.3 | | |
| 26 | P | 36.4 | Very low | 35.6 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -90.7 | 130.9 | -164.6 | 33.7 | -32.3 | 0 | 0 | 0 | 114.1 | R28 | P26-R28 PolarHBondContact O-N 3.42Š|
| 27 | T | 33.5 | Very low | 35.3 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | trans | -73.2 | 122.1 | 169.1 | -25.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 28 | R | 31.6 | Very low | 35.1 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -117.8 | 104.4 | 156.9 | -98.6 | -166.5 | 176.7 | -155.1 | -0.6 | 111.1 | P26 | P26-R28 PolarHBondContact O-N 3.42Š|
| 29 | I | 34.1 | Very low | 35 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | trans | -59.8 | 145.4 | 156.7 | -60.8 | 163.3 | 0 | 0 | 0 | 107.7 | | |
| 30 | N | 34.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -149.3 | 144.3 | 150.9 | -118.6 | -17.3 | 0 | 0 | 0 | 112.2 | | |
| 31 | N | 34.3 | Very low | 34.9 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | -75.1 | 151.7 | -178.4 | -83 | -47.5 | 0 | 0 | 0 | 112.1 | S33 | N31-S33 PolarHBondContact O-N 3.02Š|
| 32 | P | 37.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -81.5 | 95.1 | 174.6 | 32.6 | -33.3 | 0 | 0 | 0 | 111.6 | | |
| 33 | S | 34.6 | Very low | 35.2 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -166.3 | 149.2 | 157.7 | -83 | 0 | 0 | 0 | 0 | 112.6 | N31 | N31-S33 PolarHBondContact O-N 3.02Š|
| 34 | N | 34.2 | Very low | 35.1 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | 74.8 | 157.3 | 168.3 | -61 | -17.5 | 0 | 0 | 0 | 119.7 | | |
| 35 | I | 34.6 | Very low | 35.3 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | 88.1 | 133 | 163.6 | -63.9 | 144.9 | 0 | 0 | 0 | 117.5 | | |
| 36 | I | 32 | Very low | 35.6 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | | | trans | -102.7 | -153.7 | -177.3 | -64.2 | 155.4 | 0 | 0 | 0 | 106.6 | | |
| 37 | V | 34.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | | | trans | 79 | 126.7 | 161.7 | 175.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 38 | T | 36 | Very low | 36.2 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | cis | -162 | 162 | -4.2 | 18.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 39 | N | 32.7 | Very low | 36.9 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | 37.9 | 120.9 | 140.5 | -55.5 | -3.1 | 0 | 0 | 0 | 122.1 | | |
| 40 | R | 37.3 | Very low | 37.6 | Very low | 258 Ų | 258 | 129.8 Ų | 129.8 | 97% | 0.974 | 79% | 0.787 | S | S | * | * | | | | 178.7 | 140.1 | 121.1 | -96.2 | 165.2 | -174.6 | -162.7 | 2.1 | 108.2 | | |
| 41 | G | 37.2 | Very low | 38.5 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | cis | -164.7 | 165.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 42 | S | 38.2 | Very low | 39.4 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -74.3 | 144.5 | -172.4 | -43.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 43 | I | 39.8 | Very low | 40.3 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | -148.2 | 140.6 | 139.3 | -91.5 | 143 | 0 | 0 | 0 | 105.8 | | |
| 44 | G | 35.6 | Very low | 41.4 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | -142.7 | 144.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 45 | C | 39.9 | Very low | 42.3 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 86% | 0.858 | 77% | 0.77 | S | S | * | * | | | trans | -135.2 | 158.6 | 169.7 | -71.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 46 | S | 38.5 | Very low | 43.3 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -137 | 163.5 | -170.2 | -48.7 | 0 | 0 | 0 | 0 | 111 | | |
| 47 | G | 40.7 | Very low | 44.2 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | 109.3 | 154.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 48 | G | 42.5 | Very low | 44.9 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | 81.7 | 91.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 49 | D | 45.2 | Very low | 45.5 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | cis | 73.6 | 153.8 | 31.3 | -43.7 | -56.8 | 0 | 0 | 0 | 113.4 | | |
| 50 | D | 49.8 | Very low | 46 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | 73.4 | 110.6 | -179.1 | -43 | -16.3 | 0 | 0 | 0 | 113.9 | | |
| 51 | D | 53.4 | Low | 46.2 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | | 84.5 | 139.5 | 69 | -67.2 | -9.6 | 0 | 0 | 0 | 110.7 | | |
| 52 | D | 53.9 | Low | 46.3 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | cis | -149.6 | 165.5 | 18.2 | -77.6 | -55.2 | 0 | 0 | 0 | 111.7 | | |
| 53 | D | 56.4 | Low | 46.3 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | trans | 48.5 | 154.6 | 132.2 | -57 | -4.3 | 0 | 0 | 0 | 122.9 | | |
| 54 | D | 56.7 | Low | 46.2 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | | | cis | -162.5 | 171 | -4.6 | -115.5 | -13.9 | 0 | 0 | 0 | 111.8 | | |
| 55 | D | 54 | Low | 46.2 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | 54.6 | 154.3 | 149.7 | -64.7 | -5.5 | 0 | 0 | 0 | 123.9 | | |
| 56 | D | 55.2 | Low | 46 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | cis | -165 | -169.2 | -45 | -138.5 | -8.1 | 0 | 0 | 0 | 109.6 | | |
| 57 | D | 50.8 | Low | 45.7 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | trans | 58.8 | 110 | 169.9 | -63.7 | -30.8 | 0 | 0 | 0 | 116.7 | | |
| 58 | D | 50.2 | Low | 45.3 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | | | cis | 69.4 | 115.5 | 32.7 | -135.2 | 6.5 | 0 | 0 | 0 | 115.7 | | |
| 59 | D | 47.1 | Very low | 44.9 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | | -169.7 | 107.4 | 126 | -144.3 | 5.8 | 0 | 0 | 0 | 115.1 | | |
| 60 | S | 43.6 | Very low | 44.2 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 56% | 0.559 | 73% | 0.727 | S | S | * | * | | | | 43.3 | 157.8 | 127.9 | -52.2 | 0 | 0 | 0 | 0 | 127.4 | | |
| 61 | N | 42.4 | Very low | 43.3 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | | | trans | 86.9 | 103.8 | 151.3 | -64.2 | -52.1 | 0 | 0 | 0 | 118.6 | | |
| 62 | R | 37.7 | Very low | 42.3 | Very low | 237 Ų | 237 | 132.9 Ų | 132.9 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | | | | 77 | 128.9 | 77.4 | -74.9 | 179.3 | -164.6 | 142 | -5.8 | 112.8 | | |
| 63 | G | 38.1 | Very low | 41.4 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | | | cis | 159 | 175.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 64 | N | 38.5 | Very low | 40.4 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | | | trans | 66.6 | 155.4 | 162.7 | -60.5 | -6.7 | 0 | 0 | 0 | 117.7 | | |
| 65 | H | 36.7 | Very low | 39.6 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | cis | -150.9 | 163.8 | -13.8 | -138.9 | -119.7 | 0 | 0 | 0 | 113.6 | | |
| 66 | V | 33.9 | Very low | 38.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | | | trans | -46.9 | 162.1 | 177.1 | -169.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 67 | S | 33.5 | Very low | 37.9 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 106.3 | 117.6 | 156.5 | -39.8 | 0 | 0 | 0 | 0 | 115 | | |
| 68 | V | 30.7 | Very low | 37 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | cis | 82.9 | 96.8 | 42.6 | -178.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 69 | S | 34.4 | Very low | 36.5 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | 162.3 | 157.7 | 159 | -83.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 70 | N | 32.1 | Very low | 35.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | cis | -169 | 145.6 | -34.8 | -117.1 | -21.4 | 0 | 0 | 0 | 107.3 | | |
| 71 | Y | 30.2 | Very low | 35.4 | Very low | 207 Ų | 207 | 133.1 Ų | 133.1 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | 47.8 | 127.4 | 154.7 | -78.2 | -83.2 | 0 | 0 | 0 | 124 | | |
| 72 | S | 31.3 | Very low | 35.1 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | | 94.6 | 150.8 | 128.4 | -68.2 | 0 | 0 | 0 | 0 | 123.6 | | |
| 73 | S | 36.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | 81.4 | 94.7 | 154 | -58.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 74 | L | 34.3 | Very low | 34.4 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -71.7 | 153.9 | 148.1 | -71.3 | 162.2 | 0 | 0 | 0 | 110.9 | | |
| 75 | P | 40.8 | Very low | 34 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -111.7 | 156.4 | 148.7 | 35.3 | -27.2 | 0 | 0 | 0 | 112.3 | | |
| 76 | S | 33.1 | Very low | 34 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -102.6 | 162.4 | -177.8 | 51 | 0 | 0 | 0 | 0 | 113.3 | | |
| 77 | G | 40.8 | Very low | 34.2 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | trans | -162.5 | 132.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 78 | N | 32.6 | Very low | 34.4 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -116.8 | 155.7 | -174.3 | -64.5 | -27.2 | 0 | 0 | 0 | 111.4 | | |
| 79 | D | 38.3 | Very low | 35 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 176.8 | 121.3 | 137 | -86.5 | -21.5 | 0 | 0 | 0 | 107.1 | | |
| 80 | F | 32.5 | Very low | 35.1 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 77% | 0.772 | 77% | 0.774 | S | S | * | * | | | | 57.1 | 117 | 58.6 | -73.4 | -83.3 | 0 | 0 | 0 | 112.6 | | |
| 81 | T | 35.6 | Very low | 35.9 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | cis | -143.9 | 179.1 | -1.2 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 82 | Q | 35.1 | Very low | 36.6 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | cis | -129.3 | 170.2 | 11.9 | -65.2 | 179.3 | 12.9 | 0 | 0 | 108.8 | | |
| 83 | I | 28.3 | Very low | 37.2 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | cis | 74.3 | 90.6 | 34.7 | -46.1 | 178.6 | 0 | 0 | 0 | 115.9 | | |
| 84 | S | 33 | Very low | 37.6 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -158.2 | 141.5 | 130.1 | -82.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 85 | Y | 31.3 | Very low | 38.2 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | | | trans | -81 | 153.9 | -172.9 | -78.5 | -106.5 | 0 | 0 | 0 | 110.8 | | |
| 86 | S | 36.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | | | | -155 | 156.9 | 69.8 | 51.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 87 | D | 37.4 | Very low | 39 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | | | trans | -76.6 | 152.4 | -165.2 | -51.3 | -94.7 | 0 | 0 | 0 | 115.6 | | |
| 88 | N | 37.4 | Very low | 39.2 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | | | trans | -175 | 13 | 135.2 | -102.8 | -56.8 | 0 | 0 | 0 | 116.1 | Y90 | N88-Y90 VanDerWaalsContact C-N 3.33Å; N88-Y90 PolarHBondContact O-N 3.2Å |
| 89 | Q | 43.4 | Very low | 39.7 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -6.6 | -173.9 | -65.6 | -170.1 | 2.8 | 0 | 0 | 116.1 | | |
| 90 | Y | 37.5 | Very low | 39.6 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 82% | 0.816 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -26.7 | -167.8 | -100.2 | -85.5 | 0 | 0 | 0 | 116.3 | N88 | N88-Y90 VanDerWaalsContact C-N 3.33Å; N88-Y90 PolarHBondContact O-N 3.2Å |
| 91 | V | 47.8 | Very low | 39.7 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.1 | -35.9 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | A93 Y94 M95 | V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.04Å; V91-Y94 PolarHBondContact O-N 3.35Å; V91-Y94 VanDerWaalsContact O-N 3.16Å; V91-M95 HydrophobicContact CG1-CG 4.19Å; V91-M95 PolarHBondContact O-N 3.49Å; V91-M95 VanDerWaalsContact O-N 3.12Å |
| 92 | D | 45.4 | Very low | 40 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 44% | 0.444 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -76.9 | -11.7 | -173.6 | -164 | 23.9 | 0 | 0 | 0 | 112.7 | R96 | D92-R96 WeakPolarHBondContact O-CG 3.49Å; D92-R96 PolarHBondContact O-NE 3.16Å; D92-R96 PolarHBondContact O-NH2 3.08Å; D92-R96 IonicContact OD1-CZ 2.78Å; D92-R96 IonicContact OD1-NE 2.68Å; D92-R96 IonicContact OD1-NH1 2.72Å; D92-R96 PolarHBondContact OD1-NH1 3.49Å; D92-R96 IonicContact OD1-NH2 3.35Å; D92-R96 IonicContact OD2-CZ 2.83Å; D92-R96 IonicContact OD2-NH1 3.62Å; D92-R96 PolarHBondContact OD2-NH1 3.3Å; D92-R96 IonicContact OD2-NH2 3.48Å; D92-R96 PolarHBondContact OD2-NH2 2.9Å |
| 93 | A | 45.1 | Very low | 40.1 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 53% | 0.529 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -77.1 | -47.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V91 R96 | V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.04Å; A93-R96 PolarHBondContact O-N 3.24Å |
| 94 | Y | 43.4 | Very low | 40.3 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.9 | -48.5 | -175 | -168.3 | -109.4 | 0 | 0 | 0 | 112.2 | V91 R96 H97 I98 | V91-Y94 PolarHBondContact O-N 3.35Å; V91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-R96 VanDerWaalsContact C-N 3.26Å; Y94-R96 PolarHBondContact O-N 3.33Å; Y94-H97 PolarHBondContact O-N 2.91Å; Y94-H97 VanDerWaalsContact O-N 3.08Å; Y94-I98 HydrophobicContact CE1-CD1 4.32Å |
| 95 | M | 47.7 | Very low | 40.5 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 56% | 0.557 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.6 | -27.9 | -179.4 | -65.7 | -62.2 | -87.8 | 0 | 0 | 112.9 | V91 H97 I98 T99 | V91-M95 HydrophobicContact CG1-CG 4.19Å; V91-M95 PolarHBondContact O-N 3.49Å; V91-M95 VanDerWaalsContact O-N 3.12Å; M95-H97 VanDerWaalsContact C-N 3.28Å; M95-H97 PolarHBondContact O-N 3.4Å; M95-I98 PolarHBondContact O-N 2.94Å; M95-T99 PolarHBondContact O-OG1 3.18Å |
| 96 | R | 47.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 43% | 0.426 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -74.7 | -12.6 | 175.7 | -77.1 | -167.7 | -76.8 | -117.1 | 2.3 | 114.3 | D92 A93 Y94 | D92-R96 WeakPolarHBondContact O-CG 3.49Å; D92-R96 PolarHBondContact O-NE 3.16Å; D92-R96 PolarHBondContact O-NH2 3.08Å; D92-R96 IonicContact OD1-CZ 2.78Å; D92-R96 IonicContact OD1-NE 2.68Å; D92-R96 IonicContact OD1-NH1 2.72Å; D92-R96 PolarHBondContact OD1-NH1 3.49Å; D92-R96 IonicContact OD1-NH2 3.35Å; D92-R96 IonicContact OD2-CZ 2.83Å; D92-R96 IonicContact OD2-NH1 3.62Å; D92-R96 PolarHBondContact OD2-NH1 3.3Å; D92-R96 IonicContact OD2-NH2 3.48Å; D92-R96 PolarHBondContact OD2-NH2 2.9Å; A93-R96 PolarHBondContact O-N 3.24Å; Y94-R96 VanDerWaalsContact C-N 3.26Å; Y94-R96 PolarHBondContact O-N 3.33Å |
| 97 | H | 41.7 | Very low | 40.6 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -85 | -24.5 | 174.4 | -150.4 | -82.5 | 0 | 0 | 0 | 113.1 | Y94 M95 | Y94-H97 PolarHBondContact O-N 2.91Å; Y94-H97 VanDerWaalsContact O-N 3.08Å; M95-H97 VanDerWaalsContact C-N 3.28Å; M95-H97 PolarHBondContact O-N 3.4Å |
| 98 | I | 45.5 | Very low | 40.8 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 54% | 0.544 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -81.8 | -35 | -177.7 | -65.8 | 178.5 | 0 | 0 | 0 | 112 | Y94 M95 K100 | Y94-I98 HydrophobicContact CE1-CD1 4.32Å; M95-I98 PolarHBondContact O-N 2.94Å; I98-K100 VanDerWaalsContact C-N 3.31Å; I98-K100 PolarHBondContact O-N 2.8Å |
| 99 | T | 43.7 | Very low | 40.7 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 54% | 0.54 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | 17.3 | -177.1 | -7.8 | 0 | 0 | 0 | 0 | 116.3 | M95 | M95-T99 PolarHBondContact O-OG1 3.18Š|
| 100 | K | 37 | Very low | 40.4 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 65% | 0.648 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 2.1 | 179.8 | -81.6 | -176.6 | 179.3 | 172.9 | 0 | 116.1 | I98 | I98-K100 VanDerWaalsContact C-N 3.31Å; I98-K100 PolarHBondContact O-N 2.8Å |
| 101 | S | 34.8 | Very low | 40.5 | Very low | 95 Ų | 95 | 118.5 Ų | 118.5 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | | | trans | -126.4 | 25.6 | -177.5 | -75.3 | 0 | 0 | 0 | 0 | 115.9 | R103 | S101-R103 VanDerWaalsContact C-N 3.35Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-R103 VanDerWaalsContact O-N 3.16Å |
| 102 | T | 41.8 | Very low | 40 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | | | trans | -87.4 | 78 | 165.5 | -36.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 103 | R | 36.6 | Very low | 39.5 | Very low | 193 Ų | 193 | 118.3 Ų | 118.3 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | | | trans | -42.6 | 143.5 | 158.5 | -77.5 | 164.1 | 161.3 | -174.8 | -4.3 | 109.7 | S101 I105 | S101-R103 VanDerWaalsContact C-N 3.35Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-R103 VanDerWaalsContact O-N 3.16Å; R103-I105 VanDerWaalsContact C-N 3.34Å; R103-I105 HydrophobicContact CB-CB 4.43Å; R103-I105 HydrophobicContact CB-CG1 4.08Å; R103-I105 HydrophobicContact CG-CD1 4.43Å; R103-I105 HydrophobicContact CG-CG1 4.15Å |
| 104 | T | 32.4 | Very low | 39.4 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | | | cis | 52.5 | 40.3 | 25 | -40.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 105 | I | 37.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | | | trans | -132.8 | 103.9 | 149.4 | -67.5 | -177.1 | 0 | 0 | 0 | 106.4 | R103 | R103-I105 VanDerWaalsContact C-N 3.34Å; R103-I105 HydrophobicContact CB-CB 4.43Å; R103-I105 HydrophobicContact CB-CG1 4.08Å; R103-I105 HydrophobicContact CG-CD1 4.43Å; R103-I105 HydrophobicContact CG-CG1 4.15Å |
| 106 | A | 34.4 | Very low | 38.4 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | | | trans | -147.8 | 129.9 | 160 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 107 | T | 36.1 | Very low | 37.8 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 44% | 0.442 | 72% | 0.724 | S | S | . | * | S | Bend | trans | 82.9 | 138.2 | -176.8 | 74.8 | 0 | 0 | 0 | 0 | 116.6 | Q566 | T107-Q566 PolarHBondContact OG1-NE2 2.86Š|
| 108 | T | 40.8 | Very low | 37.5 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | | | trans | 59.9 | 115 | -158.4 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 109 | G | 34.5 | Very low | 37 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | | | cis | 132.2 | 77 | -14.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 110 | I | 38.6 | Very low | 36.6 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | trans | -138.9 | 111.1 | 175.2 | -67.1 | -175.6 | 0 | 0 | 0 | 110 | | |
| 111 | L | 39.2 | Very low | 36.5 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 39.9 | 141 | 140.4 | -68.1 | 156.4 | 0 | 0 | 0 | 123.2 | L573 | L111-L573 HydrophobicContact CD2-CD1 3.58Š|
| 112 | G | 36.4 | Very low | 36.7 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 86.7 | 104.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 113 | S | 36.3 | Very low | 36.3 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | cis | 68.7 | 87.2 | 29 | -158.6 | 0 | 0 | 0 | 0 | 115 | | |
| 114 | V | 42.9 | Very low | 36.5 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | -137.3 | 136.8 | 151.1 | -173.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 115 | N | 36.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -90.5 | 170 | -169.3 | -76.4 | -43 | 0 | 0 | 0 | 114.2 | | |
| 116 | N | 32.3 | Very low | 38.7 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -32.3 | 142.6 | 163.5 | -63.2 | -29.2 | 0 | 0 | 0 | 114.6 | | |
| 117 | V | 34.9 | Very low | 40.2 | Very low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -156.5 | 130.9 | 137.6 | 122.5 | 0 | 0 | 0 | 0 | 112 | | |
| 118 | I | 35.7 | Very low | 41.9 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | 53.5 | 102.1 | 153.4 | -59.8 | 170.5 | 0 | 0 | 0 | 118.7 | | |
| 119 | T | 34.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | -13.9 | 132.8 | 139.2 | 51.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 120 | Q | 36.4 | Very low | 45 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | | -151.6 | 148.8 | 121.2 | -117.8 | 172.8 | 50.2 | 0 | 0 | 113.5 | | |
| 121 | S | 34 | Very low | 46.5 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -69 | 136.6 | -171.1 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 122 | Q | 38.7 | Very low | 47.9 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -148 | 132.8 | 137.9 | -117 | 171.5 | 63.7 | 0 | 0 | 110.4 | | |
| 123 | Q | 33.2 | Very low | 49.2 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | -78.9 | 130.5 | -170.3 | -66.9 | 169.9 | -20 | 0 | 0 | 111.7 | | |
| 124 | R | 41.8 | Very low | 49.6 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -130 | 130.8 | 149.2 | -60.3 | -172.2 | -154.3 | -92.3 | -0.8 | 107 | | |
| 125 | Q | 50.4 | Low | 50.1 | Low | 183 Ų | 183 | 146.3 Ų | 146.3 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 149.8 | -178.7 | -66.2 | -178 | -4.2 | 0 | 0 | 110.7 | | |
| 126 | P | 64.2 | Low | 50.8 | Low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 152.8 | 164.4 | 30.4 | -34.9 | 0 | 0 | 0 | 110.1 | | |
| 127 | P | 66.6 | Low | 50.9 | Low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63 | 147.2 | 174.7 | 27.9 | -34.7 | 0 | 0 | 0 | 111 | | |
| 128 | P | 71.1 | Confident | 51.1 | Low | 118 Ų | 118 | 147.3 Ų | 147.3 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 151.7 | 177.9 | 28.6 | -35.1 | 0 | 0 | 0 | 111.6 | | |
| 129 | P | 72.5 | Confident | 50.9 | Low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 155.2 | 175.9 | 29.2 | -35.3 | 0 | 0 | 0 | 111.7 | | |
| 130 | P | 68 | Low | 50.9 | Low | 131 Ų | 131 | 152.5 Ų | 152.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138.4 | 176.7 | -23.3 | 34.1 | 0 | 0 | 0 | 112.6 | | |
| 131 | L | 70.4 | Confident | 50.8 | Low | 164 Ų | 164 | 150.7 Ų | 150.7 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 143.2 | 173.9 | -70.4 | 168.1 | 0 | 0 | 0 | 110.8 | | |
| 132 | P | 69.4 | Low | 50.6 | Low | 107 Ų | 107 | 155.3 Ų | 155.3 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68 | 152.1 | 174.1 | 29.6 | -35 | 0 | 0 | 0 | 111.4 | L134 | P132-L134 PolarHBondContact O-N 2.98Š|
| 133 | P | 62.6 | Low | 50.6 | Low | 123 Ų | 123 | 152.5 Ų | 152.5 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 135.5 | 177.9 | -23.3 | 34.1 | 0 | 0 | 0 | 112.9 | T135 | P133-T135 PolarHBondContact O-N 2.91Š|
| 134 | L | 45.7 | Very low | 50.5 | Low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | trans | -70.6 | 106.1 | 175.3 | -79.9 | 147.9 | 0 | 0 | 0 | 110.8 | P132 | P132-L134 PolarHBondContact O-N 2.98Š|
| 135 | T | 51.9 | Low | 50.3 | Low | 116 Ų | 116 | 142.7 Ų | 142.7 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | | | trans | -72.1 | 129.1 | 170.7 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | P133 N137 | P133-T135 PolarHBondContact O-N 2.91Å; T135-N137 PolarHBondContact O-N 3.01Å |
| 136 | P | 52.4 | Low | 49.5 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 104.8 | 178 | -22.3 | 34.4 | 0 | 0 | 0 | 112.6 | K138 | P136-K138 PolarHBondContact O-N 3.47Š|
| 137 | N | 34 | Very low | 48.3 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 96.9 | 172.4 | -102.8 | -34.8 | 0 | 0 | 0 | 110.8 | T135 | T135-N137 PolarHBondContact O-N 3.01Š|
| 138 | K | 38.7 | Very low | 46.9 | Very low | 174 Ų | 174 | 141 Ų | 141 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | trans | -100.7 | 95.5 | 158.7 | -81.1 | -168.2 | 173.9 | -175.5 | 0 | 109.6 | P136 Y140 | P136-K138 PolarHBondContact O-N 3.47Å; K138-Y140 HydrophobicContact CB-CD2 4.49Å; K138-Y140 PolarHBondContact O-N 3.36Å |
| 139 | Q | 33.2 | Very low | 45.1 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -60.6 | 121 | 165.8 | -63.9 | 175.7 | -4.2 | 0 | 0 | 108.8 | | |
| 140 | Y | 32.8 | Very low | 43.4 | Very low | 201 Ų | 201 | 142 Ų | 142 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | | | trans | -112.4 | 110.6 | 163.1 | -95.7 | -87.2 | 0 | 0 | 0 | 109 | K138 K142 | K138-Y140 HydrophobicContact CB-CD2 4.49Å; K138-Y140 PolarHBondContact O-N 3.36Å; Y140-K142 PolarHBondContact O-N 2.99Å |
| 141 | L | 35.7 | Very low | 41.9 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -65.2 | 124.9 | 176.5 | -82.7 | 160.8 | 0 | 0 | 0 | 109.8 | V143 | L141-V143 PolarHBondContact O-N 2.98Å; L141-V143 VanDerWaalsContact O-N 3.14Å |
| 142 | K | 29.8 | Very low | 40.3 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -78.9 | 93.1 | 179.3 | -175.1 | -179.1 | -178.5 | -179.6 | 0 | 109.7 | Y140 | Y140-K142 PolarHBondContact O-N 2.99Š|
| 143 | V | 37.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -115.2 | 108.9 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | L141 | L141-V143 PolarHBondContact O-N 2.98Å; L141-V143 VanDerWaalsContact O-N 3.14Å |
| 144 | S | 31.6 | Very low | 37.5 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -91.5 | 131.7 | 171.3 | -57.5 | 0 | 0 | 0 | 0 | 110 | | |
| 145 | S | 37.9 | Very low | 37 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | 178.3 | 146.9 | 136.4 | -80.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 146 | T | 34.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | | | trans | -113.1 | 117.7 | -175.7 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 147 | S | 38.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -172.1 | 141.8 | 164.7 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 148 | V | 36 | Very low | 35.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | cis | 159.1 | 135.6 | -11.5 | 136 | 0 | 0 | 0 | 0 | 104 | | |
| 149 | L | 35.2 | Very low | 35.3 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | | | trans | 67.3 | 155.2 | 174.5 | -63.2 | 167 | 0 | 0 | 0 | 117.6 | | |
| 150 | T | 36.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | | | cis | -169 | 143.2 | -37.6 | 21 | 0 | 0 | 0 | 0 | 110.2 | | |
| 151 | Q | 35.4 | Very low | 35.2 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | 63.1 | 154.1 | 149.1 | -68.7 | 175.4 | 12.9 | 0 | 0 | 118.7 | | |
| 152 | S | 36.4 | Very low | 35.2 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | cis | -166.9 | 149.2 | -11 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 153 | S | 36.2 | Very low | 35.3 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | trans | 72.2 | 146.8 | 139.5 | 66.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 154 | H | 37.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | 75.1 | 147 | 158.7 | -58 | -58.3 | 0 | 0 | 0 | 119.9 | | |
| 155 | S | 35.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | cis | -178.9 | 152.8 | -19.9 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 156 | V | 36.1 | Very low | 35.1 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | | | trans | 67.7 | 145.5 | 145.1 | 161.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 157 | S | 34.8 | Very low | 35 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | | | cis | -168.3 | -178.8 | -19.8 | 61.3 | 0 | 0 | 0 | 0 | 112 | | |
| 158 | D | 36.9 | Very low | 34.9 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | | | trans | 75.6 | 107 | 150.6 | -69.9 | -59.7 | 0 | 0 | 0 | 125.3 | | |
| 159 | N | 33.2 | Very low | 34.7 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | | 32.9 | 128.4 | 112.3 | -60.5 | -59.8 | 0 | 0 | 0 | 121.2 | | |
| 160 | Q | 35.8 | Very low | 34.4 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | | | | -174.4 | -178.3 | 100.5 | -98.9 | -172.3 | 58.8 | 0 | 0 | 114.1 | | |
| 161 | R | 29.6 | Very low | 34.3 | Very low | 225 Ų | 225 | 146.8 Ų | 146.8 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | | | trans | -138.6 | 129.3 | -154.7 | 170.7 | -164.6 | -176.6 | -149.5 | 6.8 | 113.1 | | |
| 162 | S | 35.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -172.3 | 115.7 | 160.4 | -79.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 163 | T | 31.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | | 76.3 | 141.6 | 69.3 | 60 | 0 | 0 | 0 | 0 | 115.7 | | |
| 164 | L | 34.5 | Very low | 33.9 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 78.5 | 143.4 | 173.1 | -51.6 | -177.7 | 0 | 0 | 0 | 115.6 | | |
| 165 | E | 31 | Very low | 33.8 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | cis | -168.5 | -179.1 | -19.4 | -159.3 | -167.2 | 162.2 | 0 | 0 | 109.6 | | |
| 166 | L | 38.3 | Very low | 33.7 | Very low | 132 Ų | 132 | 154.6 Ų | 154.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | 82.9 | 91.2 | 155.9 | -58.4 | 176.9 | 0 | 0 | 0 | 122.2 | | |
| 167 | N | 30.9 | Very low | 33.7 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | | 53.5 | 144.5 | 122.6 | -92.3 | -38.1 | 0 | 0 | 0 | 124.5 | | |
| 168 | P | 36.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 162.8 Ų | 162.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -104.4 | 171.3 | -176.5 | 41.7 | -36.5 | 0 | 0 | 0 | 115.3 | | |
| 169 | R | 32.3 | Very low | 33.3 | Very low | 234 Ų | 234 | 162.3 Ų | 162.3 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -145.3 | 128.8 | 157.7 | -93.6 | -161.3 | 143.6 | 149.7 | -3.8 | 115.2 | | |
| 170 | F | 28.6 | Very low | 33 | Very low | 181 Ų | 181 | 162.1 Ų | 162.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 17.1 | 126.6 | 140.3 | -65.5 | -102.9 | 0 | 0 | 0 | 119.9 | | |
| 171 | Q | 34 | Very low | 32.7 | Very low | 196 Ų | 196 | 161 Ų | 161 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | | -163.2 | 146.9 | 95 | -103.8 | 170.5 | -7.2 | 0 | 0 | 112.1 | | |
| 172 | T | 27.7 | Very low | 32.8 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -133.1 | 132.2 | -179.5 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 173 | E | 35.4 | Very low | 32.6 | Very low | 187 Ų | 187 | 159.2 Ų | 159.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -152.6 | 122.6 | 159.2 | -139.2 | 154.2 | -142.7 | 0 | 0 | 115.3 | | |
| 174 | Q | 36.3 | Very low | 32.6 | Very low | 147 Ų | 147 | 163 Ų | 163 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | | | trans | 37.8 | 107.3 | 146 | -57.2 | -66.6 | -8.8 | 0 | 0 | 120.3 | | |
| 175 | N | 34.7 | Very low | 32.4 | Very low | 171 Ų | 171 | 159.7 Ų | 159.7 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | | | trans | -158.8 | 72.7 | 137 | -109.5 | -53 | 0 | 0 | 0 | 112.2 | R177 | N175-R177 PolarHBondContact O-N 3.48Š|
| 176 | N | 34.1 | Very low | 32.5 | Very low | 157 Ų | 157 | 159.2 Ų | 159.2 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -79.6 | 105 | 174.8 | -90.4 | -32.5 | 0 | 0 | 0 | 111.4 | | |
| 177 | R | 35.1 | Very low | 32.4 | Very low | 235 Ų | 235 | 156 Ų | 156 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -126 | 105.6 | 158.8 | -152 | 170.6 | -165.3 | -104.1 | -0 | 110.4 | N175 V179 | N175-R177 PolarHBondContact O-N 3.48Å; R177-V179 PolarHBondContact O-N 2.92Å |
| 178 | L | 28.9 | Very low | 32.5 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -71.1 | 110.9 | -162.9 | -166.6 | 74 | 0 | 0 | 0 | 112.5 | | |
| 179 | V | 34.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | -118.6 | 108 | 163.3 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | R177 F181 | R177-V179 PolarHBondContact O-N 2.92Å; V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CG1-CD2 3.87Å; V179-F181 HydrophobicContact CG1-CE2 3.93Å; V179-F181 PolarHBondContact O-N 3.41Å |
| 180 | L | 27.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | | | trans | -81.7 | 68.4 | -171.5 | -169.8 | 65.2 | 0 | 0 | 0 | 112.1 | K182 | L180-K182 HydrophobicContact CD1-CB 4.41Å; L180-K182 HydrophobicContact CD1-CD 4.4Å |
| 181 | F | 28.4 | Very low | 32.5 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | | | trans | -70.6 | 123.6 | 150 | -76.4 | -83.2 | 0 | 0 | 0 | 107.6 | V179 | V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CG1-CD2 3.87Å; V179-F181 HydrophobicContact CG1-CE2 3.93Å; V179-F181 PolarHBondContact O-N 3.41Å |
| 182 | K | 32.2 | Very low | 32.7 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 73% | 0.726 | 72% | 0.715 | S | S | * | * | | | trans | -123.2 | 58.9 | 177.5 | -152.5 | 173.1 | -170.4 | 176.7 | 0 | 111.3 | L180 | L180-K182 HydrophobicContact CD1-CB 4.41Å; L180-K182 HydrophobicContact CD1-CD 4.4Å |
| 183 | T | 30.9 | Very low | 33.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | | | trans | -55 | 140.1 | 155.3 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 184 | K | 32.7 | Very low | 32.9 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | | | trans | -143.5 | 104.7 | 158.7 | -89.8 | -148.4 | 167.4 | -160.4 | 0 | 109.7 | | |
| 185 | S | 30.4 | Very low | 32.9 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | trans | -70.4 | -175.5 | 150.7 | 55 | 0 | 0 | 0 | 0 | 109.1 | | |
| 186 | E | 32.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | cis | -168.7 | 172.7 | 22.1 | -149.4 | 146.8 | -92.6 | 0 | 0 | 111 | | |
| 187 | N | 35 | Very low | 32.7 | Very low | 66 Ų | 66 | 137.9 Ų | 137.9 | 35% | 0.353 | 71% | 0.706 | S | S | . | * | | | trans | 68.1 | 127.3 | 170.4 | -51.4 | -52.3 | 0 | 0 | 0 | 114.9 | F438 N440 | N187-F438 HydrophobicContact CB-CD1 3.73Å; N187-F438 HydrophobicContact CB-CE1 3.84Å; N187-N440 PolarHBondContact OD1-ND2 3Å |
| 188 | V | 32.9 | Very low | 32.6 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 46% | 0.455 | 70% | 0.697 | S | S | . | * | | | cis | 86 | 122.7 | 24.5 | -170.7 | 0 | 0 | 0 | 0 | 114.3 | F438 T439 | V188-F438 WeakPolarHBondContact O-CD1 3.45Å; V188-T439 HydrophobicContact CG1-CG2 4.12Å; V188-T439 WeakPolarHBondContact O-CG2 3.41Å; V188-T439 PolarHBondContact O-OG1 3.06Å |
| 189 | C | 33.8 | Very low | 33 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 43% | 0.432 | 70% | 0.695 | S | S | . | * | | | trans | -160 | 124.3 | 154.7 | -148.3 | 0 | 0 | 0 | 0 | 109.4 | S437 T439 | C189-S437 WeakPolarHBondContact CB-OG 3.4Å; C189-S437 VanDerWaalsContact SG-CB 3.5Å; C189-S437 PolarHBondContact SG-OG 3.21Å; C189-S437 VanDerWaalsContact SG-OG 3.38Å; C189-T439 HydrophobicContact CB-CG2 4.2Å |
| 190 | D | 32.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | | | trans | -95.6 | 159.5 | -168.2 | -74.1 | -69.6 | 0 | 0 | 0 | 114.4 | | |
| 191 | I | 31.4 | Very low | 33 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | | | trans | 40.3 | 123.4 | 143.6 | -58.8 | 160.7 | 0 | 0 | 0 | 118.6 | | |
| 192 | I | 38.1 | Very low | 33.1 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | | | trans | -167.2 | 151.5 | 133 | -107.5 | 161.1 | 0 | 0 | 0 | 111.9 | | |
| 193 | D | 36.4 | Very low | 33.2 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | | | trans | 61.1 | 98.7 | 170.3 | -60.9 | -14.7 | 0 | 0 | 0 | 121.4 | | |
| 194 | D | 31.8 | Very low | 33.4 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | | | trans | -68.6 | 173 | 136.6 | -85.5 | -57.9 | 0 | 0 | 0 | 110.9 | | |
| 195 | L | 35.4 | Very low | 33.2 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | | | trans | 77 | 140.6 | -176.1 | -44.7 | 174.3 | 0 | 0 | 0 | 112.7 | | |
| 196 | Q | 36.4 | Very low | 33.4 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | cis | -121.7 | 164.2 | 20.9 | -149.1 | 89.3 | -11.8 | 0 | 0 | 113.3 | | |
| 197 | T | 29.7 | Very low | 33.2 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | | | trans | -83.7 | -169.7 | 174.5 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 198 | V | 31.9 | Very low | 33.2 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | | | trans | 82.9 | 130.6 | 163.6 | -175.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 199 | E | 37.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | cis | -151.5 | 155.2 | -2.4 | -128.3 | 154.6 | -145.7 | 0 | 0 | 113.6 | | |
| 200 | E | 32.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 14.7 | 133.7 | 143.8 | -67 | -168.1 | 174.5 | 0 | 0 | 126.1 | | |
| 201 | S | 30.5 | Very low | 33.1 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | | 74.5 | 128 | 120.4 | -55.3 | 0 | 0 | 0 | 0 | 125 | | |
| 202 | D | 30.1 | Very low | 33.1 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | 28.9 | 111 | 133.3 | -59.4 | -6.9 | 0 | 0 | 0 | 121.6 | | |
| 203 | S | 34.5 | Very low | 33 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -159.8 | 108.4 | 146.1 | -165.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 204 | L | 35.1 | Very low | 32.9 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | | 68.4 | 114.6 | 74.7 | -71.1 | 174.2 | 0 | 0 | 0 | 114.4 | | |
| 205 | D | 27.3 | Very low | 33 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -65.6 | 127.3 | 170.6 | -58 | -80.4 | 0 | 0 | 0 | 111.3 | | |
| 206 | I | 35.5 | Very low | 33.1 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | | | trans | -135 | 117.4 | 165.5 | -62.2 | -177.2 | 0 | 0 | 0 | 108.6 | | |
| 207 | E | 28.9 | Very low | 33 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -64.6 | 137 | 167.3 | -65.6 | -175.5 | 120.1 | 0 | 0 | 110.5 | | |
| 208 | L | 33.6 | Very low | 33.4 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | | | trans | -127.9 | 114.3 | 155.9 | -80.3 | 179.5 | 0 | 0 | 0 | 110.6 | | |
| 209 | T | 32.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | trans | -101.1 | 125.9 | -166.5 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 210 | V | 32.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | | | trans | 51.4 | 117.9 | 154.6 | 177.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 211 | N | 33 | Very low | 33.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | | -150 | 141.1 | 117.3 | -130.2 | -27.7 | 0 | 0 | 0 | 114.3 | | |
| 212 | N | 31.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | -86.4 | 155.7 | 170.2 | -75.2 | -44.6 | 0 | 0 | 0 | 109.8 | | |
| 213 | N | 36 | Very low | 34.4 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | -159.8 | 146.2 | 131.5 | -104.5 | -43.5 | 0 | 0 | 0 | 112.2 | | |
| 214 | N | 34.1 | Very low | 34.6 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -90 | 156.9 | -175.8 | -50.4 | -74.2 | 0 | 0 | 0 | 111.3 | | |
| 215 | N | 35.6 | Very low | 34.6 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | | | | -155.7 | 154.9 | 124.5 | -128.3 | -32.8 | 0 | 0 | 0 | 115.3 | | |
| 216 | S | 35.9 | Very low | 35 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -100 | 154.4 | -167.9 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 217 | N | 34.8 | Very low | 35 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | | | | 172 | 128 | 129.3 | -89.6 | -35.9 | 0 | 0 | 0 | 110.4 | | |
| 218 | A | 38.8 | Very low | 35.3 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | | | | 74.3 | 142.2 | 90 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 219 | N | 37.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | | | cis | -158.5 | 138.6 | 28.7 | -118.2 | -32.4 | 0 | 0 | 0 | 114.2 | | |
| 220 | N | 39.2 | Very low | 35.4 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | | | trans | 48.8 | 134.8 | 132.1 | -70.1 | -12.8 | 0 | 0 | 0 | 125.7 | | |
| 221 | N | 36.5 | Very low | 35.4 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | 76.4 | 153.7 | 144.8 | -60.8 | -25.3 | 0 | 0 | 0 | 118.6 | | |
| 222 | R | 35.1 | Very low | 35.6 | Very low | 227 Ų | 227 | 130.3 Ų | 130.3 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | | | cis | -146.2 | 165.6 | 15.6 | -152.9 | 169.2 | -175.8 | 165.5 | 0.7 | 113.7 | | |
| 223 | S | 34.9 | Very low | 35.9 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 56% | 0.559 | 73% | 0.727 | S | S | * | * | | | trans | -77.7 | 163.1 | -178.3 | 43.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 224 | H | 39.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 60% | 0.602 | 72% | 0.722 | S | S | * | * | | | | 164.6 | 129.2 | 110.2 | -85.3 | -71.1 | 0 | 0 | 0 | 114.1 | | |
| 225 | Q | 35.9 | Very low | 36.5 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | | | trans | 54.7 | 156.2 | 132.3 | -69.7 | 163.1 | -3.7 | 0 | 0 | 122.3 | | |
| 226 | S | 34.4 | Very low | 36.6 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | | | cis | 178.6 | 150.6 | -34.5 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 227 | S | 36.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | | | trans | 61.1 | 162.1 | 161.9 | 40.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 228 | S | 35.1 | Very low | 36.8 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | cis | -169.2 | 154.4 | -26.1 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 229 | S | 32.4 | Very low | 36.7 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | 68.4 | 158.3 | 149.8 | -58.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 230 | I | 34.5 | Very low | 36.7 | Very low | 167 Ų | 167 | 134 Ų | 134 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | | | trans | 72.2 | 143.9 | 157.2 | -75.8 | 161.4 | 0 | 0 | 0 | 117.4 | | |
| 231 | S | 32.7 | Very low | 36.3 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | | | cis | -174.3 | 171.6 | -27.7 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 232 | Q | 37.2 | Very low | 36.1 | Very low | 150 Ų | 150 | 140 Ų | 140 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | 71.1 | 153 | 164.5 | -56.1 | 179.8 | 77.2 | 0 | 0 | 116.3 | | |
| 233 | Q | 37 | Very low | 36 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | cis | -162.1 | 150.3 | -14.8 | -116.2 | 170.8 | 17 | 0 | 0 | 112.8 | | |
| 234 | S | 37.1 | Very low | 36 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | 70.1 | 161.3 | 140.3 | 76.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 235 | P | 45.8 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | trans | -134.3 | -168.3 | -160.5 | 45.3 | -27.9 | 0 | 0 | 0 | 115.2 | | |
| 236 | I | 37.2 | Very low | 35.4 | Very low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | -171.8 | 122 | 154.1 | -98.9 | 147.5 | 0 | 0 | 0 | 106.9 | | |
| 237 | Q | 37.7 | Very low | 35.4 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | | | | 60 | 141.8 | 75.2 | -60.4 | -174.5 | 13.7 | 0 | 0 | 113 | | |
| 238 | T | 37.7 | Very low | 35.1 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | | | cis | -157.9 | -170 | 4.3 | 2.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 239 | R | 36.1 | Very low | 35 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | | | cis | -161.5 | 159.3 | 10.7 | -140.3 | 177.9 | 150.5 | 127.6 | 1.6 | 112.5 | | |
| 240 | Q | 38.2 | Very low | 34.9 | Very low | 127 Ų | 127 | 148 Ų | 148 | 59% | 0.593 | 73% | 0.727 | S | S | * | * | | | trans | 10.6 | 129.7 | 146.4 | -71.8 | 161 | -1.5 | 0 | 0 | 121.4 | | |
| 241 | Q | 31.5 | Very low | 35.1 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | | | | 83.9 | 116.5 | 63.6 | -77 | -179.6 | -21.4 | 0 | 0 | 117.4 | | |
| 242 | R | 32.8 | Very low | 35.2 | Very low | 239 Ų | 239 | 148.5 Ų | 148.5 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | trans | -177.1 | 119.2 | 144.9 | -106.1 | 178 | -79.4 | -169.1 | -2.1 | 105.8 | | |
| 243 | Q | 31.6 | Very low | 35.1 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | | | cis | 73.8 | 137.1 | 43.9 | -66 | -155.5 | 6.7 | 0 | 0 | 115.7 | | |
| 244 | H | 35.2 | Very low | 34.9 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | 75.5 | 142.5 | 175.6 | -54.2 | -61 | 0 | 0 | 0 | 116.7 | | |
| 245 | S | 32.8 | Very low | 34.6 | Very low | 80 Ų | 80 | 151.5 Ų | 151.5 | 56% | 0.559 | 72% | 0.718 | S | S | * | * | | | cis | -169.7 | 142.1 | -10.9 | -104 | 0 | 0 | 0 | 0 | 111.6 | | |
| 246 | F | 30.7 | Very low | 34 | Very low | 194 Ų | 194 | 152 Ų | 152 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | | | trans | 61.8 | 157.9 | 152.2 | -74.6 | -116.3 | 0 | 0 | 0 | 116.4 | | |
| 247 | S | 32.8 | Very low | 33.7 | Very low | 80 Ų | 80 | 151.2 Ų | 151.2 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | | | cis | -163.4 | 174 | 2.2 | -133 | 0 | 0 | 0 | 0 | 107.5 | | |
| 248 | E | 31.9 | Very low | 33.6 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 64% | 0.64 | 70% | 0.704 | S | S | * | * | | | cis | -161.3 | -157.7 | -5.7 | -144.6 | 163.2 | 131.1 | 0 | 0 | 110 | | |
| 249 | Y | 31.5 | Very low | 33.3 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | | | trans | 48.4 | 85.9 | 160.7 | -70.7 | -68.1 | 0 | 0 | 0 | 121.8 | | |
| 250 | H | 31.1 | Very low | 33.2 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 82% | 0.819 | 71% | 0.71 | S | S | * | * | | | | -60.4 | -174.4 | 128.9 | -108.3 | 43.8 | 0 | 0 | 0 | 112 | | |
| 251 | P | 38.4 | Very low | 32.8 | Very low | 91 Ų | 91 | 151.6 Ų | 151.6 | 59% | 0.591 | 71% | 0.713 | S | S | * | * | | | cis | -134.4 | 177.3 | 2.4 | 41.8 | -25.8 | 0 | 0 | 0 | 115.7 | | |
| 252 | H | 35.1 | Very low | 32.7 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | | | | -162.4 | 102.5 | 121.2 | -119 | -89.2 | 0 | 0 | 0 | 109.4 | | |
| 253 | H | 35.4 | Very low | 32.5 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | | | | 55 | 94.6 | 94.7 | -116.6 | -94.6 | 0 | 0 | 0 | 113.5 | | |
| 254 | H | 31.5 | Very low | 32.5 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 61% | 0.611 | 71% | 0.712 | S | S | * | * | | | | 81.6 | 93.3 | 60.4 | -174.4 | -59.4 | 0 | 0 | 0 | 113.7 | | |
| 255 | Y | 31.9 | Very low | 32.2 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | -164.3 | 110.4 | 139.1 | -121.3 | -104.2 | 0 | 0 | 0 | 105.5 | | |
| 256 | Q | 33.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 55% | 0.547 | 72% | 0.724 | S | S | . | * | | | | 65.5 | 143.9 | 88.2 | -71.8 | -168.9 | 4.4 | 0 | 0 | 115.3 | | |
| 257 | Q | 31.2 | Very low | 32.2 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 72% | 0.716 | S | S | * | * | | | cis | -176.5 | 151.5 | -19.6 | -174.2 | 145.9 | 22.5 | 0 | 0 | 108.9 | | |
| 258 | K | 34.1 | Very low | 32 | Very low | 174 Ų | 174 | 142 Ų | 142 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | | | trans | 65.5 | 153.2 | 161.9 | -79.8 | 164.5 | -174.9 | 179.9 | 0 | 116.7 | | |
| 259 | M | 31.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | | | cis | -134.5 | 151.7 | -24.1 | -64.2 | -146.6 | -64.6 | 0 | 0 | 109.4 | | |
| 260 | L | 33.4 | Very low | 32.2 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 95% | 0.948 | 73% | 0.728 | S | S | * | * | | | trans | -119.9 | 84.9 | 149 | -95.2 | 174.4 | 0 | 0 | 0 | 106.6 | | |
| 261 | D | 30.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | | | trans | -161.7 | 125.8 | 172.5 | -126 | -37.5 | 0 | 0 | 0 | 112.6 | | |
| 262 | S | 29 | Very low | 32.1 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | 63.2 | 177.2 | 154.4 | -63.6 | 0 | 0 | 0 | 0 | 120 | | |
| 263 | C | 30.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | | | trans | 75.6 | 90.7 | 172.1 | -63.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 264 | S | 30.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | trans | -32.2 | 161.7 | 147.9 | -38.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 265 | N | 29.2 | Very low | 32.3 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | 77.8 | 104.4 | 153.3 | -60 | -9.6 | 0 | 0 | 0 | 119.7 | | |
| 266 | S | 30.2 | Very low | 32.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | | 84.3 | 148.6 | 124.1 | -146.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 267 | I | 34 | Very low | 32.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | | | trans | 69.1 | 92.8 | 151.9 | -78.3 | 163.3 | 0 | 0 | 0 | 117.8 | | |
| 268 | D | 28.6 | Very low | 32.6 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | 65.2 | 147.6 | 113.5 | -57.5 | -28.8 | 0 | 0 | 0 | 124 | | |
| 269 | L | 32.5 | Very low | 32.5 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | 89.5 | 110.6 | 154.5 | -62.1 | 150.8 | 0 | 0 | 0 | 121.1 | | |
| 270 | F | 33.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 75% | 0.746 | 74% | 0.739 | S | S | * | * | | | | 85.9 | 117.4 | 127.5 | -86.9 | -131.3 | 0 | 0 | 0 | 123.2 | | |
| 271 | N | 34.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 60% | 0.599 | 73% | 0.734 | S | S | * | * | | | | 75.3 | 113.1 | 127.8 | -69.8 | 10.6 | 0 | 0 | 0 | 123.8 | | |
| 272 | N | 32.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | | 81 | 117.3 | 119.2 | -65 | -2.7 | 0 | 0 | 0 | 122.9 | | |
| 273 | S | 37.5 | Very low | 32.6 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | | 105.1 | 140.6 | 116.6 | 69 | 0 | 0 | 0 | 0 | 121.6 | | |
| 274 | N | 34.1 | Very low | 32.7 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | 73.5 | 130.4 | 161.8 | -61.2 | -0.3 | 0 | 0 | 0 | 118.8 | | |
| 275 | V | 36.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | | | cis | 78.3 | 122.3 | 42.7 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 276 | E | 35.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | cis | -169 | -169.3 | 2 | -132.8 | 178.2 | -141.2 | 0 | 0 | 110 | | |
| 277 | N | 33 | Very low | 32.8 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | | | cis | -159 | -165.2 | -8.1 | -157.2 | -27.2 | 0 | 0 | 0 | 108.5 | | |
| 278 | V | 32.6 | Very low | 32.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | | | trans | 68.1 | 105 | 153 | 168.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 279 | V | 31.9 | Very low | 32.9 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | | | | 91.7 | 129.4 | 60.8 | 166.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 280 | C | 29.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | | | trans | -108 | 150.6 | 179.5 | -45.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 281 | P | 34.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | | | trans | -102.4 | 159 | 162.9 | 35.8 | -29.4 | 0 | 0 | 0 | 113.5 | | |
| 282 | S | 31.5 | Very low | 32.6 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | trans | -103 | 161.3 | -178.3 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 283 | N | 32 | Very low | 32.4 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | | | trans | -178.8 | 133.3 | 131.3 | -90.3 | -33 | 0 | 0 | 0 | 110.4 | | |
| 284 | H | 32.2 | Very low | 32.1 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | | | | 60.6 | 134 | 86.7 | -94.4 | -75.1 | 0 | 0 | 0 | 113.9 | | |
| 285 | S | 31.3 | Very low | 32.1 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | | | cis | -163.3 | 170.1 | 10.8 | 82.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 286 | H | 30.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | | | trans | 58 | 149.9 | 159.9 | -74 | 79.4 | 0 | 0 | 0 | 117.4 | | |
| 287 | F | 30.6 | Very low | 31.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 77% | 0.768 | 72% | 0.719 | S | S | * | * | | | cis | -140.7 | 137.6 | 28.2 | -155.1 | -126.2 | 0 | 0 | 0 | 108.3 | | |
| 288 | M | 32.3 | Very low | 31.6 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 51% | 0.512 | 73% | 0.733 | S | S | . | * | | | | 47.7 | 142.2 | 104.6 | -47.9 | -59.6 | -159.8 | 0 | 0 | 115.9 | | |
| 289 | Q | 32.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | cis | -161.8 | 158.8 | 4.9 | -151.3 | 102.3 | 54.7 | 0 | 0 | 110.8 | | |
| 290 | T | 31.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | 61.3 | 160.6 | 154.2 | 46.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 291 | N | 31.6 | Very low | 31.7 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 53% | 0.529 | 74% | 0.735 | S | S | . | * | | | cis | -146.1 | 149 | -17 | -115.1 | -24.3 | 0 | 0 | 0 | 108.5 | | |
| 292 | R | 30.7 | Very low | 31.8 | Very low | 235 Ų | 235 | 145.9 Ų | 145.9 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | | | trans | -87.3 | 143.7 | 157 | -74.6 | 175.4 | 163.6 | -159.6 | -8.2 | 109 | | |
| 293 | R | 29.4 | Very low | 31.9 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | | | trans | -177.6 | 152.4 | 132.8 | -102.1 | 171.2 | -165.1 | -178.3 | 3.1 | 111.7 | | |
| 294 | N | 30.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | | | trans | 49.1 | 101.1 | 152.6 | -56.1 | 28.6 | 0 | 0 | 0 | 119.4 | | |
| 295 | T | 33.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 91% | 0.908 | 73% | 0.728 | S | S | * | * | | | | -125.8 | 117.6 | 123.5 | 40.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 296 | E | 32.6 | Very low | 32.1 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | -92 | 158.3 | 163.5 | -73.6 | 157.4 | 148.2 | 0 | 0 | 107.9 | | |
| 297 | D | 28.6 | Very low | 32.2 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | | | trans | 26.3 | 94.3 | 161.9 | -55.2 | -20.2 | 0 | 0 | 0 | 117.6 | | |
| 298 | F | 33.5 | Very low | 32.2 | Very low | 207 Ų | 207 | 147.4 Ų | 147.4 | 91% | 0.908 | 73% | 0.734 | S | S | * | * | | | trans | -123.1 | 114.4 | 153.6 | -113.6 | -87.5 | 0 | 0 | 0 | 110.6 | | |
| 299 | E | 31.6 | Very low | 32.2 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | -68.1 | 133.8 | 167.6 | 175 | 177.5 | -123.3 | 0 | 0 | 109.9 | | |
| 300 | F | 34.4 | Very low | 32.4 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | | | trans | -156 | 93.4 | 162.3 | -146.1 | -96.9 | 0 | 0 | 0 | 111.6 | T302 M303 | F300-T302 WeakPolarHBondContact CE1-OG1 3.47Å; F300-M303 HydrophobicContact CE1-CE 3.96Å; F300-M303 HydrophobicContact CZ-CE 3.9Å |
| 301 | D | 30.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -71.5 | 166.4 | 151 | -109 | -44.6 | 0 | 0 | 0 | 109.7 | | |
| 302 | T | 37.4 | Very low | 32.7 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | | | trans | 87 | 162.3 | 175.3 | 80.7 | 0 | 0 | 0 | 0 | 119 | F300 | F300-T302 WeakPolarHBondContact CE1-OG1 3.47Š|
| 303 | M | 33.6 | Very low | 32.8 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | | | trans | 66.8 | 80.1 | 175.6 | -80.3 | 169.9 | -83.9 | 0 | 0 | 118.1 | F300 | F300-M303 HydrophobicContact CE1-CE 3.96Å; F300-M303 HydrophobicContact CZ-CE 3.9Å |
| 304 | N | 35.3 | Very low | 33 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 95% | 0.947 | 76% | 0.76 | S | S | * | * | | | trans | -116.4 | 49.4 | 131.4 | -154 | 11.6 | 0 | 0 | 0 | 110.7 | | |
| 305 | Q | 31.5 | Very low | 33.2 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -129 | 122.8 | 163.3 | -77.5 | -170.1 | 18.2 | 0 | 0 | 107.4 | | |
| 306 | V | 31.8 | Very low | 33 | Very low | 135 Ų | 135 | 147 Ų | 147 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 159.3 | 131.8 | 161.4 | 146.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 307 | T | 32.9 | Very low | 33 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | | | cis | -166.1 | 151.2 | -11 | -90.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 308 | M | 30.4 | Very low | 33.2 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | 73.3 | 134.3 | 159.8 | -86 | -174.8 | -55.4 | 0 | 0 | 122.7 | | |
| 309 | I | 32.4 | Very low | 33.1 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | trans | 69 | 123.1 | 137.9 | -63.7 | 167.4 | 0 | 0 | 0 | 116.3 | | |
| 310 | H | 36.4 | Very low | 33.2 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | | | cis | -152.9 | 141.3 | 43.1 | -168.2 | -118.8 | 0 | 0 | 0 | 113.9 | | |
| 311 | N | 34.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | 33.5 | 124 | 156.7 | -59.2 | 3.3 | 0 | 0 | 0 | 122.3 | | |
| 312 | A | 34.5 | Very low | 33.1 | Very low | 84 Ų | 84 | 145 Ų | 145 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | -59.8 | 154.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 313 | N | 33.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | | | | -176.7 | 157.6 | 113.3 | -104.9 | -30.5 | 0 | 0 | 0 | 115.9 | | |
| 314 | F | 34.1 | Very low | 32.9 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 69.7 | 83.6 | 151.1 | -82.9 | -126.1 | 0 | 0 | 0 | 121.1 | | |
| 315 | H | 33.7 | Very low | 32.8 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | | | | 47.9 | 105.4 | 99.8 | -147.8 | 84.5 | 0 | 0 | 0 | 120.9 | | |
| 316 | S | 29.1 | Very low | 33 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | | 72.1 | 157.6 | 129.1 | -152.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 317 | Q | 32.6 | Very low | 33.3 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | | | trans | 84.4 | 87.7 | 153.6 | -154.4 | 159.4 | 61.9 | 0 | 0 | 119.3 | | |
| 318 | I | 32.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | | | trans | -101.6 | 131.1 | 154.2 | -66 | 175.6 | 0 | 0 | 0 | 108.3 | | |
| 319 | Q | 32.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -155.9 | 147.6 | 165.8 | -142.2 | -172.9 | 81 | 0 | 0 | 112.2 | | |
| 320 | Q | 32.5 | Very low | 33.8 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | trans | 85.9 | 149.9 | 158.2 | -56 | -171.7 | 18.7 | 0 | 0 | 121.6 | | |
| 321 | T | 32.9 | Very low | 33.6 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | | | trans | 79 | 135.6 | 165.3 | 43.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 322 | Q | 29.1 | Very low | 33.4 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | -131.2 | -175.6 | -175.6 | -64.9 | -178.5 | -61.9 | 0 | 0 | 109.2 | | |
| 323 | H | 34.7 | Very low | 33.5 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | | | trans | 74 | 147.4 | 172.7 | -63.6 | -82.7 | 0 | 0 | 0 | 115.2 | | |
| 324 | S | 32.5 | Very low | 33.5 | Very low | 95 Ų | 95 | 155.1 Ų | 155.1 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | cis | -154.1 | 142.1 | 5.1 | 11.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 325 | D | 34.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | | 66.5 | 120 | 124.8 | -46.5 | -22.4 | 0 | 0 | 0 | 124.2 | | |
| 326 | E | 35.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | | 96.6 | 144.8 | 121.9 | -82.7 | -174.8 | 168.8 | 0 | 0 | 125.9 | | |
| 327 | H | 38.3 | Very low | 33.4 | Very low | 145 Ų | 145 | 155.5 Ų | 155.5 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | 76.6 | 143.5 | 147.1 | -85.9 | -141.6 | 0 | 0 | 0 | 120.8 | | |
| 328 | L | 37 | Very low | 33.2 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 60% | 0.602 | 76% | 0.755 | S | S | * | * | | | cis | -165.9 | 144.8 | -11.5 | -162.4 | 62.7 | 0 | 0 | 0 | 115.3 | | |
| 329 | H | 36.8 | Very low | 33.2 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | trans | 55.9 | 114 | 149.7 | -72.9 | 5.1 | 0 | 0 | 0 | 126.8 | | |
| 330 | T | 32.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 157 Ų | 157 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | | | | 30.5 | 139.5 | 118.5 | 48.2 | 0 | 0 | 0 | 0 | 125.2 | | |
| 331 | R | 32.5 | Very low | 33.4 | Very low | 252 Ų | 252 | 155.3 Ų | 155.3 | 95% | 0.951 | 75% | 0.753 | S | S | * | * | | | trans | -163.8 | 159.3 | 132.1 | -110.6 | 171.9 | -167.6 | -160.6 | 2.2 | 114.5 | | |
| 332 | H | 30.5 | Very low | 33.4 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | | | trans | -98.6 | 156.9 | 177.7 | -77.5 | -62.5 | 0 | 0 | 0 | 113.1 | | |
| 333 | H | 36 | Very low | 33.6 | Very low | 175 Ų | 175 | 154 Ų | 154 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | | 179.3 | -179.7 | 125.5 | -87.7 | -56.6 | 0 | 0 | 0 | 110.3 | | |
| 334 | Q | 33 | Very low | 33.6 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | | -173.2 | 118.6 | -74.6 | 169.9 | 177.6 | -6.6 | 0 | 0 | 112.2 | | |
| 335 | H | 28.6 | Very low | 33.5 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | | | trans | 60.8 | 134.5 | 167.6 | -93.1 | -96.7 | 0 | 0 | 0 | 120.4 | | |
| 336 | D | 34.8 | Very low | 33.4 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | 167.4 | 169.6 | 146.2 | -91.5 | -15.2 | 0 | 0 | 0 | 109.4 | | |
| 337 | F | 31.7 | Very low | 33.2 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | | | | -164.8 | 130.2 | -64.6 | -130.1 | -49 | 0 | 0 | 0 | 108.2 | | |
| 338 | Y | 29 | Very low | 32.8 | Very low | 197 Ų | 197 | 156 Ų | 156 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | | | trans | 60.5 | 171.3 | 171.4 | -64 | -64.1 | 0 | 0 | 0 | 116.9 | | |
| 339 | Q | 31.9 | Very low | 32.5 | Very low | 158 Ų | 158 | 157 Ų | 157 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | cis | -147 | 154.8 | 3.4 | -169.7 | 64.7 | -14.3 | 0 | 0 | 111.2 | | |
| 340 | F | 31.1 | Very low | 32 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | | | trans | -87.4 | 161.6 | 170.5 | -87.6 | -97.1 | 0 | 0 | 0 | 113.8 | | |
| 341 | P | 39.5 | Very low | 32.3 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | -96.8 | 149 | 143 | 34.5 | -29 | 0 | 0 | 0 | 112.3 | | |
| 342 | N | 31.6 | Very low | 32.1 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | -109.1 | -176.5 | -172 | -78.2 | -61.8 | 0 | 0 | 0 | 113.5 | | |
| 343 | N | 33.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | | | trans | 107.6 | 134.1 | 156.5 | -54.4 | -26.1 | 0 | 0 | 0 | 115.4 | | |
| 344 | S | 34.2 | Very low | 32.1 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | | | cis | -161.1 | 137.5 | -8.6 | -145.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 345 | W | 30.6 | Very low | 32 | Very low | 211 Ų | 211 | 145.5 Ų | 145.5 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | 48.4 | 143 | 130.2 | -69.4 | 43.3 | 0 | 0 | 0 | 120.2 | | |
| 346 | K | 32.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 54% | 0.543 | 73% | 0.732 | S | S | . | * | | | cis | -173.7 | -174.6 | -0 | -122.4 | -167.6 | -173 | 171.5 | 0 | 111.4 | | |
| 347 | Y | 32.4 | Very low | 31.7 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | | | trans | 78.7 | 117.8 | 169.4 | -66.8 | -89 | 0 | 0 | 0 | 116.1 | | |
| 348 | L | 30.3 | Very low | 31.8 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | | 76 | 130.4 | 52.7 | -67.3 | 159.9 | 0 | 0 | 0 | 112 | | |
| 349 | N | 30.7 | Very low | 31.6 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | cis | -143.5 | 156.9 | 29.7 | -83 | -70.9 | 0 | 0 | 0 | 114.1 | | |
| 350 | S | 26.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -97 | 137.1 | 151.8 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 351 | K | 36.9 | Very low | 31.6 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | trans | -132.1 | 114.7 | 161.6 | -82.4 | -162.2 | 172.7 | -170 | 0 | 106.5 | | |
| 352 | Q | 30.2 | Very low | 31.2 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | | 82.8 | 146.5 | 73.4 | -80.4 | -179.5 | -26.5 | 0 | 0 | 112.4 | | |
| 353 | S | 33 | Very low | 31.3 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | 67.9 | 140.7 | -175.9 | -99.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 354 | S | 33.2 | Very low | 31.4 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | cis | 178.2 | 133.8 | -35.4 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 355 | V | 30.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | | 25.7 | 125.3 | 126.2 | 179.8 | 0 | 0 | 0 | 0 | 116 | | |
| 356 | P | 33 | Very low | 31.7 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | | -139.2 | 164.3 | 56 | 33.1 | -13.1 | 0 | 0 | 0 | 119.1 | | |
| 357 | I | 25.2 | Very low | 32 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | | | trans | -91.5 | 132.6 | 159.3 | -58.2 | 165.1 | 0 | 0 | 0 | 107.1 | | |
| 358 | T | 31.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | -156.5 | 141.2 | 150.7 | 18.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 359 | N | 25.1 | Very low | 32.3 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -67.6 | 146.2 | 168.4 | -58.9 | -25.6 | 0 | 0 | 0 | 110.3 | | |
| 360 | Q | 31.6 | Very low | 32.4 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -155.7 | 129.4 | 139.4 | -111.4 | 160.3 | 25.1 | 0 | 0 | 109.2 | | |
| 361 | N | 31.6 | Very low | 33 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | | 41.8 | 147 | 126.6 | -56.2 | 45 | 0 | 0 | 0 | 119.4 | | |
| 362 | D | 31.5 | Very low | 32.8 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | cis | -177.1 | 164.1 | -12.9 | -92.7 | -35.2 | 0 | 0 | 0 | 104.4 | | |
| 363 | N | 33.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | 69 | 150.1 | 167 | -54.3 | -46 | 0 | 0 | 0 | 115.2 | | |
| 364 | V | 36.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | cis | -154.2 | 172.5 | -4.1 | 107.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 365 | D | 38.1 | Very low | 32.9 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | 63.2 | 102.6 | 178 | -57 | -31.7 | 0 | 0 | 0 | 115.4 | | |
| 366 | N | 32.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | cis | 68.5 | 145.8 | 40.1 | -68.6 | -44.4 | 0 | 0 | 0 | 116.4 | | |
| 367 | D | 37.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 61.6 | 124 | -177.1 | -74 | -7.4 | 0 | 0 | 0 | 116.5 | | |
| 368 | L | 38.6 | Very low | 33.2 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -136 | 115.2 | 9.2 | -66.9 | 170.2 | 0 | 0 | 0 | 111.4 | | |
| 369 | L | 32.3 | Very low | 33.3 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | | | trans | -145.3 | 46.9 | 168.9 | -141.7 | 166 | 0 | 0 | 0 | 112.4 | | |
| 370 | N | 32.1 | Very low | 33.6 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | -158.1 | 90.7 | 167.7 | -123.8 | -26.8 | 0 | 0 | 0 | 114.1 | | |
| 371 | K | 37.6 | Very low | 33.4 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | | | trans | -152.3 | 91.3 | 145.1 | -110.8 | 163.6 | -174 | 173.4 | 0 | 109.2 | | |
| 372 | F | 33.7 | Very low | 33.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | | | | 73 | 96.4 | 102.7 | -86.6 | -80.1 | 0 | 0 | 0 | 110.7 | | |
| 373 | N | 28.5 | Very low | 33.4 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | | 75.9 | 164.6 | 63 | -163.6 | 9.1 | 0 | 0 | 0 | 111.6 | | |
| 374 | I | 35.7 | Very low | 33.6 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | 83.3 | 125.3 | -170.5 | -52 | 164.7 | 0 | 0 | 0 | 113.1 | | |
| 375 | S | 35 | Very low | 33.2 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | cis | -158.7 | 133.1 | -19.5 | -102.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 376 | T | 29.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | | | trans | -92.8 | 127.1 | 154 | 43 | 0 | 0 | 0 | 0 | 109.2 | | |
| 377 | N | 33.7 | Very low | 32.6 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | trans | -141.6 | 123.3 | 166.2 | -88.4 | -47.7 | 0 | 0 | 0 | 106.4 | | |
| 378 | S | 30.5 | Very low | 32.4 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | | 73.2 | 130.1 | 88.5 | -152.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 379 | I | 33.8 | Very low | 32 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | cis | -144.1 | 119.5 | 43.2 | -73.5 | 170.1 | 0 | 0 | 0 | 108.7 | | |
| 380 | V | 31.3 | Very low | 32 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | | | | 59.2 | 116.6 | 105.1 | -177.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 381 | S | 27.9 | Very low | 31.9 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | trans | 12.7 | 138.9 | 145 | -46.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 382 | T | 34.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | | | | 176.2 | 144.4 | 97.6 | 29.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 383 | R | 29.4 | Very low | 31.5 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | trans | 58.3 | 163.8 | 141.5 | -62.5 | 168.8 | 88.1 | 144.8 | 13.2 | 117.9 | | |
| 384 | E | 36.5 | Very low | 31.6 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 62% | 0.621 | 72% | 0.716 | S | S | * | * | | | cis | -146.5 | 133.5 | -23.4 | -108.7 | 155.9 | 159.4 | 0 | 0 | 104.9 | | |
| 385 | N | 29.7 | Very low | 31.2 | Very low | 142 Ų | 142 | 123 Ų | 123 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | | 78.3 | 139.3 | 72.9 | -155.5 | 28.3 | 0 | 0 | 0 | 114.8 | | |
| 386 | C | 27.6 | Very low | 31 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 57% | 0.574 | 72% | 0.718 | S | S | * | * | | | trans | 69.4 | 117.3 | 169.4 | -63.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 387 | N | 29 | Very low | 30.9 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | | | | 56.8 | 140.3 | 121.7 | -48.6 | -12.6 | 0 | 0 | 0 | 119.3 | | |
| 388 | T | 33.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | | -164.4 | 145.8 | 57.6 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 389 | T | 29.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | | | trans | -9.1 | 142.1 | 154.5 | -41.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 390 | T | 33 | Very low | 30.8 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | | | | 159.5 | 110.6 | 126 | -62.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 391 | T | 29.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | | | | 44.6 | 137.6 | 101.8 | 13.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 392 | T | 32.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | | | cis | -154.5 | -179.3 | 35.9 | -24.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 393 | T | 29.9 | Very low | 30.5 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | | | trans | -38.4 | 165 | 159.6 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 394 | T | 30.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | | | cis | -163 | -176.6 | 38.7 | -23.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 395 | T | 28.4 | Very low | 30.1 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | | | trans | -34 | 163.5 | 152.8 | 22.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 396 | T | 30 | Very low | 30.1 | Very low | 114 Ų | 114 | 115 Ų | 115 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | | | cis | -160.8 | 157.6 | 47.8 | -26.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 397 | T | 28.3 | Very low | 30.2 | Very low | 103 Ų | 103 | 116.6 Ų | 116.6 | 63% | 0.632 | 70% | 0.698 | S | S | * | * | | | trans | 0.9 | 126 | 154.6 | 52.4 | 0 | 0 | 0 | 0 | 119.3 | I399 | T397-I399 PolarHBondContact O-N 3.08Å; T397-I399 VanDerWaalsContact O-N 3.08Å |
| 398 | S | 37.8 | Very low | 30.4 | Very low | 103 Ų | 103 | 115.1 Ų | 115.1 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | | | | 16.6 | 82.7 | 125.5 | 60.3 | 0 | 0 | 0 | 0 | 117.4 | T400 | S398-T400 PolarHBondContact O-OG1 2.8Š|
| 399 | I | 29.7 | Very low | 30.6 | Very low | 155 Ų | 155 | 118 Ų | 118 | 80% | 0.795 | 70% | 0.696 | S | S | * | * | | | trans | -91.4 | 111.1 | 145.7 | -65.3 | 176.7 | 0 | 0 | 0 | 103.1 | T397 | T397-I399 PolarHBondContact O-N 3.08Å; T397-I399 VanDerWaalsContact O-N 3.08Å |
| 400 | T | 27.9 | Very low | 31 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | | | | 63.4 | 164.6 | 63.7 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | S398 | S398-T400 PolarHBondContact O-OG1 2.8Š|
| 401 | A | 28.2 | Very low | 31 | Very low | 68 Ų | 68 | 117.5 Ų | 117.5 | 56% | 0.562 | 69% | 0.69 | S | S | * | * | | | trans | 65.1 | 80 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 402 | T | 28.6 | Very low | 31.4 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | | | | 82.1 | 161.5 | 79.5 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 403 | N | 29.5 | Very low | 32 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | | | trans | 70.8 | 131.1 | 149 | -66.4 | -1.2 | 0 | 0 | 0 | 116.5 | | |
| 404 | T | 30.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | | | cis | -170 | 179.7 | -11.2 | 18.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 405 | T | 28.6 | Very low | 33.5 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | | | trans | 72 | 130.2 | 135.7 | 49.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 406 | I | 28.5 | Very low | 34.4 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 70% | 0.703 | 69% | 0.685 | S | S | * | * | | | | 64.9 | 117.6 | 56.6 | -58.8 | 161.3 | 0 | 0 | 0 | 106.6 | | |
| 407 | D | 31.1 | Very low | 35 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | | | cis | -166.1 | 176.3 | 24.5 | -135.2 | 0.5 | 0 | 0 | 0 | 114.9 | | |
| 408 | N | 33.3 | Very low | 35.5 | Very low | 115 Ų | 115 | 125 Ų | 125 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | | | trans | 52.5 | 121.2 | 149.8 | -61.9 | -43.9 | 0 | 0 | 0 | 117.8 | | |
| 409 | M | 37.6 | Very low | 36.4 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | | | | -136.9 | 139.7 | 53.5 | -83.6 | 175.7 | -179.8 | 0 | 0 | 110.1 | | |
| 410 | S | 37.4 | Very low | 36.7 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 49% | 0.49 | 70% | 0.699 | S | S | . | * | | | cis | 46.5 | 101.9 | 29.3 | -160.8 | 0 | 0 | 0 | 0 | 113.4 | N412 | S410-N412 PolarHBondContact OG-N 3.22Å; S410-N412 VanDerWaalsContact OG-N 3.16Å |
| 411 | N | 33.5 | Very low | 37.2 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | | -93.3 | 114.5 | 72.1 | -68.9 | -38.2 | 0 | 0 | 0 | 117 | | |
| 412 | N | 38.6 | Very low | 37.7 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | | | trans | 76.3 | 124.5 | 134.3 | -58.7 | -18.5 | 0 | 0 | 0 | 121.6 | S410 | S410-N412 PolarHBondContact OG-N 3.22Å; S410-N412 VanDerWaalsContact OG-N 3.16Å |
| 413 | N | 45.3 | Very low | 38 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | 94.6 | 91.7 | 139.6 | -58.7 | -12.4 | 0 | 0 | 0 | 122.5 | | |
| 414 | N | 47.9 | Very low | 38.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | | | | 82.2 | 98.2 | 117 | -55.1 | -14.6 | 0 | 0 | 0 | 123.6 | | |
| 415 | N | 42.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | | | | 82.4 | 122.1 | 114.5 | -64.7 | 11.5 | 0 | 0 | 0 | 125.3 | | |
| 416 | H | 48.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | | | | 100.6 | 102 | 128 | -75.4 | -42.2 | 0 | 0 | 0 | 125 | | |
| 417 | D | 41.3 | Very low | 39.3 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | | | | 70 | 101.9 | 115 | -58.7 | 19.7 | 0 | 0 | 0 | 124.8 | | |
| 418 | D | 39.4 | Very low | 39.5 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | | | | 66 | 154.5 | 109.5 | -82.2 | 7.6 | 0 | 0 | 0 | 127.4 | | |
| 419 | P | 56.1 | Low | 39.6 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | -131 | 173.4 | -168.8 | 43.7 | -26.6 | 0 | 0 | 0 | 117.7 | | |
| 420 | L | 36 | Very low | 39.5 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | | | trans | -158 | 166.1 | 165.5 | -72.4 | 179.9 | 0 | 0 | 0 | 113.3 | | |
| 421 | V | 39.4 | Very low | 39.5 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | | | | -165.7 | 146.7 | -51.1 | 94.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 422 | T | 38 | Very low | 39.6 | Very low | 105 Ų | 105 | 131 Ų | 131 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | | | trans | 55.5 | 121.6 | 158.1 | 63.1 | 0 | 0 | 0 | 0 | 127.2 | | |
| 423 | N | 36 | Very low | 39.4 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | | | | 81 | 125 | 113.8 | -62.6 | 2 | 0 | 0 | 0 | 127.9 | | |
| 424 | H | 37.7 | Very low | 38.8 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | | | trans | 65.9 | 161.9 | 140.3 | -49.4 | -34.6 | 0 | 0 | 0 | 119.7 | | |
| 425 | T | 36.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | cis | -160.2 | 134.8 | 18.7 | -23.7 | 0 | 0 | 0 | 0 | 114 | | |
| 426 | F | 33.2 | Very low | 38.1 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | 57.9 | 154.1 | 142.4 | -92.2 | -108.7 | 0 | 0 | 0 | 127.5 | | |
| 427 | T | 37 | Very low | 37.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | 73.9 | 153.2 | 153.2 | 57 | 0 | 0 | 0 | 0 | 122.7 | | |
| 428 | T | 35.9 | Very low | 37.2 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | | | cis | -169.3 | 121.5 | -26.8 | -89.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 429 | S | 34.6 | Very low | 37 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | | | trans | 61.3 | 145.4 | 144.8 | 83.3 | 0 | 0 | 0 | 0 | 127.4 | | |
| 430 | H | 35.9 | Very low | 36 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 80% | 0.801 | 69% | 0.691 | S | S | * | * | | | trans | 94.6 | 132 | 132.8 | -77.3 | -45.3 | 0 | 0 | 0 | 124.7 | | |
| 431 | S | 36.1 | Very low | 36 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | | | trans | 78.6 | 146.6 | 145.9 | -73.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 432 | V | 37 | Very low | 35.9 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 68% | 0.681 | S | S | * | * | | | cis | -169.2 | 142.7 | -27.1 | 103.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 433 | R | 33 | Very low | 35.8 | Very low | 217 Ų | 217 | 130.9 Ų | 130.9 | 82% | 0.819 | 69% | 0.686 | S | S | * | * | | | trans | 53.3 | 134 | 160.9 | -66.6 | 179.4 | -169.1 | 177.2 | 3.4 | 118.6 | | |
| 434 | N | 34.2 | Very low | 35.8 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | | | | -169.4 | 160 | 51.1 | -97.2 | -35.1 | 0 | 0 | 0 | 111.8 | | |
| 435 | Y | 34.2 | Very low | 35.7 | Very low | 215 Ų | 215 | 129.1 Ų | 129.1 | 84% | 0.843 | 69% | 0.693 | S | S | * | * | | | trans | -101 | -172.7 | 164.5 | -92.7 | -90.6 | 0 | 0 | 0 | 110 | | |
| 436 | P | 41.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | | | cis | -134.6 | 168.3 | -6.5 | 17.9 | 8.7 | 0 | 0 | 0 | 117.7 | | |
| 437 | S | 35.5 | Very low | 35.5 | Very low | 61 Ų | 61 | 126.5 Ų | 126.5 | 43% | 0.427 | 69% | 0.694 | S | S | . | * | | | trans | 43.7 | 138.5 | 135.3 | -53.6 | 0 | 0 | 0 | 0 | 124.8 | C189 | C189-S437 WeakPolarHBondContact CB-OG 3.4Å; C189-S437 VanDerWaalsContact SG-CB 3.5Å; C189-S437 PolarHBondContact SG-OG 3.21Å; C189-S437 VanDerWaalsContact SG-OG 3.38Å |
| 438 | F | 34 | Very low | 35.4 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | | | | -173.2 | 163.2 | 107.7 | -95.9 | -59.9 | 0 | 0 | 0 | 113.4 | N187 V188 | N187-F438 HydrophobicContact CB-CD1 3.73Å; N187-F438 HydrophobicContact CB-CE1 3.84Å; V188-F438 WeakPolarHBondContact O-CD1 3.45Å |
| 439 | T | 36.6 | Very low | 35.2 | Very low | 54 Ų | 54 | 129 Ų | 129 | 33% | 0.331 | 70% | 0.698 | S | S | . | * | | | trans | -100.9 | -170 | -169.4 | 54 | 0 | 0 | 0 | 0 | 112.8 | V188 C189 | V188-T439 HydrophobicContact CG1-CG2 4.12Å; V188-T439 WeakPolarHBondContact O-CG2 3.41Å; V188-T439 PolarHBondContact O-OG1 3.06Å; C189-T439 HydrophobicContact CB-CG2 4.2Å |
| 440 | N | 34.9 | Very low | 35.1 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 41% | 0.406 | 70% | 0.704 | S | S | . | * | | | cis | -169.8 | 159.3 | 33.7 | -140 | -14.1 | 0 | 0 | 0 | 115.7 | N187 | N187-N440 PolarHBondContact OD1-ND2 3Š|
| 441 | N | 34.8 | Very low | 34.9 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | | | trans | 46.6 | 129.3 | 152.7 | -67.4 | -33.1 | 0 | 0 | 0 | 124.1 | | |
| 442 | N | 36.8 | Very low | 34.9 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | | | | 168.3 | 119.6 | 116.9 | -82.5 | -33.2 | 0 | 0 | 0 | 110.8 | | |
| 443 | I | 35.8 | Very low | 34.6 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | | | | 76.6 | 130.2 | 74.7 | -74 | 178.2 | 0 | 0 | 0 | 113.5 | | |
| 444 | P | 37.4 | Very low | 34.5 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | | | cis | -147.5 | -170.1 | -23.8 | 42.8 | -22.2 | 0 | 0 | 0 | 115.8 | | |
| 445 | T | 34.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | | | trans | 51.7 | 130.7 | 153.9 | 53.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 446 | G | 34.4 | Very low | 34.6 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | | | trans | -156.7 | -2.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 447 | Q | 32.2 | Very low | 34.2 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | | | trans | 64.5 | 159.6 | 171.7 | -53.3 | -169.5 | 18.2 | 0 | 0 | 120.7 | | |
| 448 | L | 33.7 | Very low | 34.3 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | trans | 58.3 | 119.7 | 162.1 | -62.3 | 143.4 | 0 | 0 | 0 | 117.4 | | |
| 449 | L | 32.7 | Very low | 34.2 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | | | cis | 90.3 | 145.8 | 49.6 | -84.1 | 163.2 | 0 | 0 | 0 | 114.8 | | |
| 450 | D | 32.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | | | trans | 66.8 | 153.8 | 174.7 | -72.7 | -40.8 | 0 | 0 | 0 | 119 | | |
| 451 | S | 30.3 | Very low | 34.2 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | cis | 172.2 | 112.1 | -33.2 | -97.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 452 | A | 36.3 | Very low | 34.2 | Very low | 107 Ų | 107 | 133 Ų | 133 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | | | trans | -158.9 | 102.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 453 | S | 31.3 | Very low | 34 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -66.7 | 164.2 | 174.2 | -170.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 454 | S | 29.9 | Very low | 33.9 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 53% | 0.531 | 75% | 0.752 | S | S | . | * | | | trans | 105 | 156.1 | 136.3 | -158.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 455 | Y | 34.1 | Very low | 33.7 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 77.2 | 136.2 | 168.6 | -44 | -62.4 | 0 | 0 | 0 | 116.4 | | |
| 456 | H | 37.4 | Very low | 33.6 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | cis | -146.9 | 146.4 | -5.8 | -142.7 | -73.7 | 0 | 0 | 0 | 112.6 | | |
| 457 | V | 32.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 129 Ų | 129 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | -78 | 145 | 168.7 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 458 | L | 38 | Very low | 33.7 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | | | trans | -150.5 | 131.1 | 148.3 | -113 | 170.6 | 0 | 0 | 0 | 112.1 | | |
| 459 | S | 32.6 | Very low | 33.4 | Very low | 89 Ų | 89 | 126 Ų | 126 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | | | trans | -95.9 | 163.2 | 175.2 | -34 | 0 | 0 | 0 | 0 | 111.7 | | |
| 460 | T | 37.2 | Very low | 33.2 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | | -165.6 | 129.6 | 126.6 | 28.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 461 | K | 33.1 | Very low | 33 | Very low | 180 Ų | 180 | 122.3 Ų | 122.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | | | | 62.4 | 130.6 | 78.2 | -73.5 | -175.1 | -178.8 | 179.6 | 0 | 112.2 | | |
| 462 | L | 35.6 | Very low | 32.9 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | cis | -143.4 | 154.1 | 10 | -87.5 | 125.9 | 0 | 0 | 0 | 109.6 | | |
| 463 | S | 31.9 | Very low | 32.6 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | | 43.8 | 132 | 94.3 | -38.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 464 | S | 34.7 | Very low | 32.4 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | | -157.6 | 168.1 | 55.1 | -59.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 465 | S | 32.4 | Very low | 32.2 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | -46.9 | 161 | 159.8 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 466 | S | 33.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | | | cis | -170.6 | -173 | 39.7 | 58.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 467 | S | 34.1 | Very low | 32 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | cis | -164.4 | 163.9 | 3.8 | 20.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 468 | L | 32.8 | Very low | 32.1 | Very low | 161 Ų | 161 | 117.2 Ų | 117.2 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | | | trans | 24.3 | 137.1 | 138.8 | -53.3 | 170.1 | 0 | 0 | 0 | 119.4 | | |
| 469 | S | 28.7 | Very low | 31.8 | Very low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | cis | 165.4 | -173.6 | -6.4 | 49.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 470 | S | 28.7 | Very low | 31.7 | Very low | 87 Ų | 87 | 117.5 Ų | 117.5 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | | | trans | 66.9 | 108.1 | 146.7 | 46.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 471 | T | 27.7 | Very low | 31.5 | Very low | 127 Ų | 127 | 117 Ų | 117 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | | 79 | 143.9 | 127.7 | 57 | 0 | 0 | 0 | 0 | 122.1 | | |
| 472 | S | 28.2 | Very low | 31.4 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | | | trans | 66.2 | 143 | 160 | 54.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 473 | S | 30.6 | Very low | 31.5 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | cis | -161.7 | -177.3 | -12 | 43.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 474 | S | 26.2 | Very low | 31.5 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | | | trans | -37 | 162.5 | 163.5 | 51.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 475 | C | 26.2 | Very low | 31.6 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | trans | 79.9 | 138.1 | 173.4 | -50.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 476 | T | 32.6 | Very low | 31.7 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | | | cis | -156.6 | 144.1 | -2.2 | -3.4 | 0 | 0 | 0 | 0 | 110 | | |
| 477 | S | 33.9 | Very low | 31.9 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | trans | -66.5 | 162.7 | 154.9 | -35.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 478 | P | 36.2 | Very low | 32.1 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | | -160.6 | -172.2 | 73.5 | 41.4 | -18.5 | 0 | 0 | 0 | 117.3 | | |
| 479 | L | 31.3 | Very low | 32.6 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | trans | 66.6 | 120.9 | 162.4 | -50.5 | -179.7 | 0 | 0 | 0 | 117.4 | | |
| 480 | T | 30.2 | Very low | 33.4 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | cis | 76 | 103.7 | 20.3 | 89.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 481 | S | 33.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -171.9 | 101.3 | 152.7 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 482 | R | 31.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 128.3 Ų | 128.3 | 73% | 0.725 | 75% | 0.746 | S | S | * | * | | | cis | 81.3 | 91.9 | 26.7 | -163.8 | -172.3 | 177.5 | 157.1 | 6.6 | 115.5 | N484 | R482-N484 PolarHBondContact NE-OD1 3.49Š|
| 483 | N | 36.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -135 | 90.4 | 153.3 | -79.5 | -44.2 | 0 | 0 | 0 | 107.6 | | |
| 484 | N | 33.5 | Very low | 36.3 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 51% | 0.513 | 74% | 0.741 | S | S | . | * | | | | 69.6 | 95.7 | 79.5 | -69.9 | -21.7 | 0 | 0 | 0 | 114.4 | R482 | R482-N484 PolarHBondContact NE-OD1 3.49Š|
| 485 | S | 36.6 | Very low | 37.3 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 92% | 0.923 | 74% | 0.738 | S | S | * | * | | | trans | -145 | 130.4 | 139.4 | -81.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 486 | T | 33.9 | Very low | 38.7 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 61% | 0.613 | 72% | 0.721 | S | S | * | * | | | trans | -116.1 | 134.5 | -162.4 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | M488 | T486-M488 HydrophobicContact CG2-CE 4.24Å; T486-M488 HydrophobicContact CG2-SD 4.12Å |
| 487 | L | 37.2 | Very low | 39.7 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | | | trans | -151 | 88.8 | 153.9 | -110.3 | 173.3 | 0 | 0 | 0 | 113 | | |
| 488 | M | 38.9 | Very low | 40.5 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 77% | 0.768 | 70% | 0.701 | S | S | * | * | | | trans | 10.8 | 121.6 | 156.7 | -49 | -52.6 | -172.3 | 0 | 0 | 120.3 | T486 | T486-M488 HydrophobicContact CG2-CE 4.24Å; T486-M488 HydrophobicContact CG2-SD 4.12Å |
| 489 | M | 43.6 | Very low | 41.2 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | | | trans | -88.5 | 138.8 | 144.9 | -91.2 | -71.5 | -166.3 | 0 | 0 | 109.4 | | |
| 490 | P | 44.9 | Very low | 42.1 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 68% | 0.675 | S | S | * | * | | | trans | -77.2 | 133.1 | -176.3 | 30.3 | -34.2 | 0 | 0 | 0 | 112.6 | I492 | P490-I492 PolarHBondContact O-N 3.28Š|
| 491 | I | 36.7 | Very low | 43.3 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 80% | 0.795 | 67% | 0.669 | S | S | * | * | | | trans | -73.7 | 109.3 | 170.7 | -62.5 | 170.1 | 0 | 0 | 0 | 108.4 | N493 | I491-N493 PolarHBondContact O-N 3.06Š|
| 492 | I | 45.2 | Very low | 44 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 61% | 0.61 | 66% | 0.657 | S | S | * | * | | | trans | -78.1 | 113.7 | 169.6 | -62.5 | 179.7 | 0 | 0 | 0 | 108 | P490 T496 | P490-I492 PolarHBondContact O-N 3.28Å; I492-T496 HydrophobicContact CG2-CG2 4Å |
| 493 | N | 43.9 | Very low | 44.7 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | | | trans | -53.2 | 144 | -179.4 | -78.3 | -50 | 0 | 0 | 0 | 112.6 | I491 H495 T496 | I491-N493 PolarHBondContact O-N 3.06Å; N493-H495 PolarHBondContact O-N 2.81Å; N493-T496 WeakPolarHBondContact O-CB 3.43Å; N493-T496 PolarHBondContact O-N 3.1Å; N493-T496 PolarHBondContact O-OG1 3.32Å |
| 494 | Q | 49.6 | Very low | 45.2 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -55 | -28.5 | 177.5 | -73.6 | -177.8 | -20.2 | 0 | 0 | 113.3 | T496 L497 Q498 | Q494-T496 PolarHBondContact O-N 2.86Å; Q494-L497 PolarHBondContact O-N 3.03Å; Q494-L497 VanDerWaalsContact O-N 3.14Å; Q494-Q498 PolarHBondContact O-N 3.31Å |
| 495 | H | 48 | Very low | 46 | Very low | 135 Ų | 135 | 125 Ų | 125 | 63% | 0.625 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58 | -30.8 | 175 | -156.7 | -106.7 | 0 | 0 | 0 | 113.1 | N493 N499 | N493-H495 PolarHBondContact O-N 2.81Å; H495-N499 PolarHBondContact O-N 3.43Å; H495-N499 PolarHBondContact O-ND2 3.35Å |
| 496 | T | 56.1 | Low | 46.2 | Very low | 67 Ų | 67 | 124 Ų | 124 | 41% | 0.411 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.6 | -35.5 | 178 | -40.9 | 0 | 0 | 0 | 0 | 111.8 | I492 N493 Q494 Q498 N499 L500 | I492-T496 HydrophobicContact CG2-CG2 4Å; N493-T496 WeakPolarHBondContact O-CB 3.43Å; N493-T496 PolarHBondContact O-N 3.1Å; N493-T496 PolarHBondContact O-OG1 3.32Å; Q494-T496 PolarHBondContact O-N 2.86Å; T496-Q498 VanDerWaalsContact C-N 3.35Å; T496-N499 PolarHBondContact O-N 2.85Å; T496-L500 PolarHBondContact O-N 3Å |
| 497 | L | 52.6 | Low | 46.8 | Very low | 105 Ų | 105 | 125 Ų | 125 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69 | -30.4 | 178 | -98 | 157.3 | 0 | 0 | 0 | 112.8 | Q494 Q501 | Q494-L497 PolarHBondContact O-N 3.03Å; Q494-L497 VanDerWaalsContact O-N 3.14Å; L497-Q501 WeakPolarHBondContact O-CG 3.43Å |
| 498 | Q | 50.3 | Low | 47 | Very low | 127 Ų | 127 | 125 Ų | 125 | 59% | 0.593 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.3 | -39.4 | 174.3 | -71.2 | -179.5 | -23.1 | 0 | 0 | 112.5 | Q494 T496 Q501 Q502 | Q494-Q498 PolarHBondContact O-N 3.31Å; T496-Q498 VanDerWaalsContact C-N 3.35Å; Q498-Q501 PolarHBondContact O-N 3.34Å; Q498-Q502 PolarHBondContact O-N 3.02Å |
| 499 | N | 50.7 | Low | 47.2 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 41% | 0.406 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.1 | -38.8 | 178.3 | -80.6 | -81.8 | 0 | 0 | 0 | 112.6 | H495 T496 Q501 Q502 L503 | H495-N499 PolarHBondContact O-N 3.43Å; H495-N499 PolarHBondContact O-ND2 3.35Å; T496-N499 PolarHBondContact O-N 2.85Å; N499-Q501 PolarHBondContact O-N 3.38Å; N499-Q502 PolarHBondContact O-N 3.06Å; N499-L503 PolarHBondContact O-N 3.11Å |
| 500 | L | 51.6 | Low | 46.9 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -25.1 | 173.5 | -83.4 | 159.7 | 0 | 0 | 0 | 113.5 | T496 Q502 | T496-L500 PolarHBondContact O-N 3Å; L500-Q502 VanDerWaalsContact C-N 3.34Å |
| 501 | Q | 54.3 | Low | 46.6 | Very low | 132 Ų | 132 | 121 Ų | 121 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -81.8 | -8.4 | 173.7 | -70.3 | -175.2 | 3.5 | 0 | 0 | 114.2 | L497 Q498 N499 | L497-Q501 WeakPolarHBondContact O-CG 3.43Å; Q498-Q501 PolarHBondContact O-N 3.34Å; N499-Q501 PolarHBondContact O-N 3.38Å |
| 502 | Q | 49.6 | Very low | 46.7 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -98.7 | -32.8 | 174 | -75 | 176.1 | -19.5 | 0 | 0 | 112.5 | Q498 N499 L500 K505 N506 | Q498-Q502 PolarHBondContact O-N 3.02Å; N499-Q502 PolarHBondContact O-N 3.06Å; L500-Q502 VanDerWaalsContact C-N 3.34Å; Q502-K505 PolarHBondContact O-N 2.76Å; Q502-K505 VanDerWaalsContact O-N 3.11Å; Q502-N506 PolarHBondContact O-N 3.05Å |
| 503 | L | 45.8 | Very low | 46.1 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.5 | -50.2 | 172.2 | -79.8 | 162.5 | 0 | 0 | 0 | 112.3 | N499 K505 N506 E507 | N499-L503 PolarHBondContact O-N 3.11Å; L503-K505 PolarHBondContact O-N 3.45Å; L503-N506 PolarHBondContact O-N 3.33Å; L503-E507 PolarHBondContact O-N 2.93Å |
| 504 | H | 45.2 | Very low | 45.5 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.9 | -4.6 | 176 | -71.4 | 159 | 0 | 0 | 0 | 115.2 | E507 | H504-E507 IonicContact CD2-OE2 3.64Å |
| 505 | K | 50.2 | Low | 44.7 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -92.9 | -20.8 | 168.6 | -75.1 | -179.3 | 176.8 | 176.4 | 0 | 113.1 | Q502 L503 | Q502-K505 PolarHBondContact O-N 2.76Å; Q502-K505 VanDerWaalsContact O-N 3.11Å; L503-K505 PolarHBondContact O-N 3.45Å |
| 506 | N | 42.3 | Very low | 43.8 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -92.2 | -36.2 | -177.7 | -67.6 | -11.8 | 0 | 0 | 0 | 112.5 | Q502 L503 R508 L509 | Q502-N506 PolarHBondContact O-N 3.05Å; L503-N506 PolarHBondContact O-N 3.33Å; N506-R508 VanDerWaalsContact C-N 3.31Å; N506-R508 PolarHBondContact O-N 3.38Å; N506-L509 PolarHBondContact O-N 3.45Å |
| 507 | E | 47 | Very low | 42.8 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.7 | -26.9 | 177.2 | -70 | -175.3 | 112.1 | 0 | 0 | 113.7 | L503 H504 L509 S510 | L503-E507 PolarHBondContact O-N 2.93Å; H504-E507 IonicContact CD2-OE2 3.64Å; E507-L509 PolarHBondContact O-N 3.42Å; E507-L509 VanDerWaalsContact O-N 3.1Å; E507-S510 PolarHBondContact O-N 3.18Å; E507-S510 PolarHBondContact O-OG 2.95Å |
| 508 | R | 40.9 | Very low | 41.8 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.8 | 5.3 | 174.6 | -77.4 | -174.4 | 164.7 | -176.5 | -6.1 | 114 | N506 E982 | N506-R508 VanDerWaalsContact C-N 3.31Å; N506-R508 PolarHBondContact O-N 3.38Å; R508-E982 IonicContact NH2-OE2 2.87Å; R508-E982 PolarHBondContact NH2-OE2 3.48Å |
| 509 | L | 42.6 | Very low | 41 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 62% | 0.623 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -118.5 | -27.8 | 171.6 | -67.9 | 176 | 0 | 0 | 0 | 114.5 | N506 E507 K512 | N506-L509 PolarHBondContact O-N 3.45Å; E507-L509 PolarHBondContact O-N 3.42Å; E507-L509 VanDerWaalsContact O-N 3.1Å; L509-K512 PolarHBondContact O-N 3.44Å |
| 510 | S | 37.9 | Very low | 40 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -66.7 | -44.9 | 177.5 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | E507 K512 Y513 | E507-S510 PolarHBondContact O-N 3.18Å; E507-S510 PolarHBondContact O-OG 2.95Å; S510-K512 PolarHBondContact O-N 3.21Å; S510-Y513 PolarHBondContact O-N 3.48Å |
| 511 | N | 36.9 | Very low | 39.1 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 15.4 | 179 | -78.8 | -21.7 | 0 | 0 | 0 | 114.8 | | |
| 512 | K | 40.4 | Very low | 38 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -4.4 | 168 | -85.1 | -178.7 | 174 | 175.4 | 0 | 114.7 | L509 S510 | L509-K512 PolarHBondContact O-N 3.44Å; S510-K512 PolarHBondContact O-N 3.21Å |
| 513 | Y | 31.3 | Very low | 37.1 | Very low | 222 Ų | 222 | 138 Ų | 138 | 87% | 0.871 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -126.8 | 41.2 | 178.9 | -81.9 | -79.6 | 0 | 0 | 0 | 113.6 | S510 | S510-Y513 PolarHBondContact O-N 3.48Š|
| 514 | S | 31.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -143.9 | 66.7 | 169.5 | -161.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 515 | N | 32.4 | Very low | 35.8 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -166 | 46.2 | 166.8 | -101.8 | -51.4 | 0 | 0 | 0 | 110.6 | | |
| 516 | Q | 30.4 | Very low | 35.1 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | | | trans | -146.6 | 45.4 | -178.1 | -143.6 | 173.1 | 104.8 | 0 | 0 | 114.4 | T518 | Q516-T518 VanDerWaalsContact C-OG1 3.26Å; Q516-T518 PolarHBondContact O-OG1 3.1Å |
| 517 | T | 33.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -127.8 | 102.2 | 163.7 | -49.4 | 0 | 0 | 0 | 0 | 105.9 | M519 | T517-M519 HydrophobicContact CG2-CG 4.36Š|
| 518 | T | 32 | Very low | 34 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | cis | 65.4 | 33.5 | 39.5 | -21.4 | 0 | 0 | 0 | 0 | 113.1 | Q516 N520 | Q516-T518 VanDerWaalsContact C-OG1 3.26Å; Q516-T518 PolarHBondContact O-OG1 3.1Å; T518-N520 VanDerWaalsContact C-N 3.28Å; T518-N520 PolarHBondContact O-N 3.22Å |
| 519 | M | 33.5 | Very low | 33.7 | Very low | 170 Ų | 170 | 140 Ų | 140 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | | | trans | -70 | 89.1 | 158.3 | -75.5 | -68.2 | -87.4 | 0 | 0 | 109 | T517 I521 | T517-M519 HydrophobicContact CG2-CG 4.36Å; M519-I521 PolarHBondContact O-N 3.24Å |
| 520 | N | 30.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | | | trans | -71.5 | 109.6 | 178.1 | 178.2 | 35.4 | 0 | 0 | 0 | 110.3 | T518 N522 | T518-N520 VanDerWaalsContact C-N 3.28Å; T518-N520 PolarHBondContact O-N 3.22Å; N520-N522 VanDerWaalsContact C-N 3.31Å; N520-N522 PolarHBondContact ND2-OD1 3.35Å; N520-N522 PolarHBondContact O-N 2.95Å |
| 521 | I | 31.7 | Very low | 33 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -77.8 | 86.3 | 173.1 | -56.2 | 179 | 0 | 0 | 0 | 108.1 | M519 S523 | M519-I521 PolarHBondContact O-N 3.24Å; I521-S523 PolarHBondContact O-N 2.99Å |
| 522 | N | 32.5 | Very low | 32.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | -62.6 | 128.1 | 172 | -90.4 | -14.9 | 0 | 0 | 0 | 110.4 | N520 | N520-N522 VanDerWaalsContact C-N 3.31Å; N520-N522 PolarHBondContact ND2-OD1 3.35Å; N520-N522 PolarHBondContact O-N 2.95Å |
| 523 | S | 28.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -66.3 | 132.3 | 164.8 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | I521 | I521-S523 PolarHBondContact O-N 2.99Š|
| 524 | S | 33.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -155.1 | 139.8 | 152 | -81.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 525 | N | 32.3 | Very low | 32.8 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -59.5 | 139.8 | -177.4 | -59 | -23.2 | 0 | 0 | 0 | 111.1 | | |
| 526 | N | 33.8 | Very low | 32.9 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | | -161.5 | 142.8 | 110.8 | -97.2 | -25.3 | 0 | 0 | 0 | 113.1 | | |
| 527 | N | 32.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -49.8 | 131.6 | -179.2 | -46.4 | -25.4 | 0 | 0 | 0 | 113.1 | | |
| 528 | N | 34.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | | 170.7 | 132.5 | 108.8 | -83.1 | -25.4 | 0 | 0 | 0 | 113.7 | | |
| 529 | N | 34.4 | Very low | 33.8 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | 52.1 | 110.9 | 141.6 | -57.1 | -10.1 | 0 | 0 | 0 | 122 | | |
| 530 | N | 34 | Very low | 34.1 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | 59.1 | 101.2 | 137.3 | -85.5 | -11.2 | 0 | 0 | 0 | 122.3 | | |
| 531 | S | 32.3 | Very low | 35 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | | 88.1 | 145.9 | 117.8 | 81.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 532 | N | 33.9 | Very low | 35.4 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | trans | 63.6 | 75.6 | 152.8 | -60.4 | -24.7 | 0 | 0 | 0 | 119.5 | | |
| 533 | N | 33.6 | Very low | 36.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | -148.3 | 128.3 | 133.2 | -132.5 | -34.1 | 0 | 0 | 0 | 112.3 | | |
| 534 | R | 34.5 | Very low | 38 | Very low | 238 Ų | 238 | 137.1 Ų | 137.1 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | | | trans | -107 | 120.3 | 179 | -73.4 | -173.6 | 179.5 | -175.8 | 1.7 | 110 | | |
| 535 | Q | 33.3 | Very low | 39 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | | | trans | -66.6 | 139.9 | 171.3 | -70.2 | -172.3 | -7.4 | 0 | 0 | 111.5 | N537 | Q535-N537 PolarHBondContact O-N 3.46Å; Q535-N537 VanDerWaalsContact O-N 3.08Å |
| 536 | P | 34.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | | | trans | -77.6 | 93.6 | 178.3 | 31.2 | -34.1 | 0 | 0 | 0 | 110.9 | I538 | P536-I538 PolarHBondContact O-N 3.3Š|
| 537 | N | 35.4 | Very low | 40.6 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 68% | 0.684 | S | S | * | * | | | trans | -76.8 | 90.6 | 175.6 | -163.2 | -13 | 0 | 0 | 0 | 110.4 | Q535 T539 | Q535-N537 PolarHBondContact O-N 3.46Å; Q535-N537 VanDerWaalsContact O-N 3.08Å; N537-T539 PolarHBondContact O-N 3.34Å; N537-T539 PolarHBondContact O-OG1 3.06Å |
| 538 | I | 37.4 | Very low | 41.4 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | | | trans | -65.1 | 90.5 | -171.9 | -57.5 | 178.6 | 0 | 0 | 0 | 111 | P536 V540 | P536-I538 PolarHBondContact O-N 3.3Å; I538-V540 HydrophobicContact CG2-CG2 4.31Å |
| 539 | T | 41.9 | Very low | 41.9 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | | | trans | -92.9 | 105.2 | 172.7 | -51.6 | 0 | 0 | 0 | 0 | 109 | N537 I541 | N537-T539 PolarHBondContact O-N 3.34Å; N537-T539 PolarHBondContact O-OG1 3.06Å; T539-I541 VanDerWaalsContact C-N 3.32Å; T539-I541 HydrophobicContact CG2-CD1 4.12Å; T539-I541 HydrophobicContact CG2-CG1 3.62Å; T539-I541 PolarHBondContact O-N 2.92Å |
| 540 | V | 39.9 | Very low | 42.6 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 45% | 0.448 | 65% | 0.654 | S | S | . | * | | | trans | -71.9 | 84.1 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | I538 Y542 V1030 | I538-V540 HydrophobicContact CG2-CG2 4.31Å; V540-Y542 PolarHBondContact O-N 3.26Å; V540-V1030 HydrophobicContact CG1-CG1 3.99Å; V540-V1030 HydrophobicContact CG2-CG1 4.45Å |
| 541 | I | 49.7 | Very low | 43 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 40% | 0.4 | 64% | 0.644 | S | S | . | * | | | trans | -89.4 | 91.9 | 176.6 | -51 | 177.2 | 0 | 0 | 0 | 109.3 | T539 M545 K546 | T539-I541 VanDerWaalsContact C-N 3.32Å; T539-I541 HydrophobicContact CG2-CD1 4.12Å; T539-I541 HydrophobicContact CG2-CG1 3.62Å; T539-I541 PolarHBondContact O-N 2.92Å; I541-M545 HydrophobicContact CG2-CB 4Å; I541-K546 HydrophobicContact CG2-CG 3.74Å |
| 542 | Y | 40.4 | Very low | 43.7 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 51% | 0.51 | 63% | 0.63 | S | S | . | * | | | trans | -46.6 | 139.3 | 174.8 | -73.1 | -75.3 | 0 | 0 | 0 | 112.2 | V540 W544 M545 | V540-Y542 PolarHBondContact O-N 3.26Å; Y542-W544 AromaticContact CG-NE1 3.93Å; Y542-W544 PolarHBondContact O-N 3.31Å; Y542-M545 HydrophobicContact CD2-SD 4.36Å; Y542-M545 WeakPolarHBondContact O-CB 3.38Å; Y542-M545 PolarHBondContact O-N 2.97Å |
| 543 | P | 53.3 | Low | 44.2 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -54.1 | -28.8 | -175 | -31 | 36.2 | 0 | 0 | 0 | 115.6 | R547 | P543-R547 PolarHBondContact O-N 3.22Å |
| 544 | W | 62.5 | Low | 44.8 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70 | -31.4 | 175.5 | 71.4 | -91.9 | 0 | 0 | 0 | 113.2 | Y542 R547 V548 | Y542-W544 AromaticContact CG-NE1 3.93Å; Y542-W544 PolarHBondContact O-N 3.31Å; W544-R547 PolarHBondContact O-N 2.97Å; W544-V548 HydrophobicContact CE3-CG2 4.05Å; W544-V548 HydrophobicContact CZ3-CG2 4.32Å; W544-V548 WeakPolarHBondContact O-CG2 3.48Å; W544-V548 PolarHBondContact O-N 3.08Å |
| 545 | M | 54.9 | Low | 45.4 | Very low | 67 Ų | 67 | 121 Ų | 121 | 33% | 0.33 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.6 | -40.4 | 177.5 | -75.2 | 167.4 | 55.6 | 0 | 0 | 112 | I541 Y542 R547 V548 H549 | I541-M545 HydrophobicContact CG2-CB 4Å; Y542-M545 HydrophobicContact CD2-SD 4.36Å; Y542-M545 WeakPolarHBondContact O-CB 3.38Å; Y542-M545 PolarHBondContact O-N 2.97Å; M545-R547 PolarHBondContact O-N 2.9Å; M545-V548 PolarHBondContact O-N 3.35Å; M545-V548 VanDerWaalsContact O-N 3.14Å; M545-H549 PolarHBondContact O-CD2 2.9Å; M545-H549 PolarHBondContact O-N 3.37Å |
| 546 | K | 51.1 | Low | 46.1 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 61% | 0.609 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.6 | -38 | 171.5 | -72.7 | -174 | 178.3 | 174.7 | 0 | 111.5 | I541 S550 | I541-K546 HydrophobicContact CG2-CG 3.74Å; K546-S550 VanDerWaalsContact O-CB 3.27Å; K546-S550 WeakPolarHBondContact O-CB 3.31Å; K546-S550 PolarHBondContact O-N 2.98Å |
| 547 | R | 48.6 | Very low | 46.5 | Very low | 189 Ų | 189 | 117.1 Ų | 117.1 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.8 | -30.1 | 176.6 | -168.7 | 168.4 | -71.3 | 176.1 | -0.2 | 113.4 | P543 W544 M545 K551 | P543-R547 PolarHBondContact O-N 3.22Å; W544-R547 PolarHBondContact O-N 2.97Å; M545-R547 PolarHBondContact O-N 2.9Å; R547-K551 PolarHBondContact O-N 3.39Å |
| 548 | V | 48.4 | Very low | 46.6 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 47% | 0.467 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.4 | -49.8 | 172.4 | 171 | 0 | 0 | 0 | 0 | 111.1 | W544 M545 K551 A552 | W544-V548 HydrophobicContact CE3-CG2 4.05Å; W544-V548 HydrophobicContact CZ3-CG2 4.32Å; W544-V548 WeakPolarHBondContact O-CG2 3.48Å; W544-V548 PolarHBondContact O-N 3.08Å; M545-V548 PolarHBondContact O-N 3.35Å; M545-V548 VanDerWaalsContact O-N 3.14Å; V548-K551 PolarHBondContact O-N 3.35Å; V548-A552 WeakPolarHBondContact O-CB 3.43Å; V548-A552 PolarHBondContact O-N 2.87Å |
| 549 | H | 47 | Very low | 47.1 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -37.5 | -177.3 | -78.6 | -108.6 | 0 | 0 | 0 | 113 | M545 K551 A552 S553 | M545-H549 PolarHBondContact O-CD2 2.9Å; M545-H549 PolarHBondContact O-N 3.37Å; H549-K551 VanDerWaalsContact C-N 3.31Å; H549-K551 PolarHBondContact O-N 3.36Å; H549-A552 PolarHBondContact O-N 3.22Å; H549-S553 PolarHBondContact O-N 3.04Å; H549-S553 PolarHBondContact O-OG 3.2Å |
| 550 | S | 47.7 | Very low | 47.1 | Very low | 77 Ų | 77 | 114.5 Ų | 114.5 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64 | -33.5 | 174.8 | -177 | 0 | 0 | 0 | 0 | 113 | K546 | K546-S550 VanDerWaalsContact O-CB 3.27Å; K546-S550 WeakPolarHBondContact O-CB 3.31Å; K546-S550 PolarHBondContact O-N 2.98Å |
| 551 | K | 43.4 | Very low | 47.4 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81.5 | -32.1 | 173.6 | -74.6 | -169.5 | 172.2 | -171.2 | 0 | 113.6 | R547 V548 H549 Q555 | R547-K551 PolarHBondContact O-N 3.39Å; V548-K551 PolarHBondContact O-N 3.35Å; H549-K551 VanDerWaalsContact C-N 3.31Å; H549-K551 PolarHBondContact O-N 3.36Å; K551-Q555 PolarHBondContact O-N 3.44Å |
| 552 | A | 45.9 | Very low | 47 | Very low | 44 Ų | 44 | 117.8 Ų | 117.8 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.7 | -53.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V548 H549 R554 Q555 T556 | V548-A552 WeakPolarHBondContact O-CB 3.43Å; V548-A552 PolarHBondContact O-N 2.87Å; H549-A552 PolarHBondContact O-N 3.22Å; A552-R554 PolarHBondContact O-N 3.11Å; A552-R554 VanDerWaalsContact O-N 3.14Å; A552-Q555 PolarHBondContact O-N 3.06Å; A552-T556 WeakPolarHBondContact O-CG2 3.4Å; A552-T556 PolarHBondContact O-N 3.27Å; A552-T556 VanDerWaalsContact O-N 3.14Å; A552-T556 PolarHBondContact O-OG1 3.3Å |
| 553 | S | 45 | Very low | 47.2 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 58% | 0.58 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -12.9 | -177 | -57 | 0 | 0 | 0 | 0 | 114.8 | H549 | H549-S553 PolarHBondContact O-N 3.04Å; H549-S553 PolarHBondContact O-OG 3.2Å |
| 554 | R | 46 | Very low | 46.8 | Very low | 223 Ų | 223 | 121.9 Ų | 121.9 | 84% | 0.842 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 12.6 | 172.9 | -67.1 | -167.9 | 179.5 | -130.1 | 0.8 | 114.1 | A552 | A552-R554 PolarHBondContact O-N 3.11Å; A552-R554 VanDerWaalsContact O-N 3.14Å |
| 555 | Q | 48 | Very low | 46 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | -16.7 | 171 | -67.5 | -168.7 | -10.3 | 0 | 0 | 114.2 | K551 A552 | K551-Q555 PolarHBondContact O-N 3.44Å; A552-Q555 PolarHBondContact O-N 3.06Å |
| 556 | T | 48.2 | Very low | 45.6 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -76.3 | -29.2 | 178 | 46.4 | 0 | 0 | 0 | 0 | 114.5 | A552 | A552-T556 WeakPolarHBondContact O-CG2 3.4Å; A552-T556 PolarHBondContact O-N 3.27Å; A552-T556 VanDerWaalsContact O-N 3.14Å; A552-T556 PolarHBondContact O-OG1 3.3Å |
| 557 | V | 41.8 | Very low | 45.3 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -79.8 | -30.3 | -178.7 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 558 | G | 38.5 | Very low | 45.1 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -89.2 | -4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 559 | K | 46.4 | Very low | 44.9 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 74% | 0.739 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -131.1 | 2.8 | -173.7 | -65.7 | -170.3 | 177.1 | -174.3 | 0 | 115.4 | | |
| 560 | S | 43.4 | Very low | 44.5 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -80.6 | -26.1 | -178.2 | -163.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 561 | L | 44.7 | Very low | 44.3 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -89.6 | -29.6 | -172.4 | -87.6 | 161.8 | 0 | 0 | 0 | 115.5 | A563 R564 | L561-A563 VanDerWaalsContact C-N 3.32Å; L561-A563 PolarHBondContact O-N 3.44Å; L561-R564 PolarHBondContact O-N 3.17Å |
| 562 | N | 42.8 | Very low | 44.1 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 48% | 0.481 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -79 | -12.3 | -170 | -146.5 | 2.9 | 0 | 0 | 0 | 114.1 | Q566 | N562-Q566 VanDerWaalsContact CG-NE2 3.32Å; N562-Q566 PolarHBondContact ND2-NE2 3.34Å; N562-Q566 WeakPolarHBondContact O-CG 3.44Å; N562-Q566 PolarHBondContact OD1-NE2 3.39Å |
| 563 | A | 44 | Very low | 43.7 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -86.1 | -8.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | L561 | L561-A563 VanDerWaalsContact C-N 3.32Å; L561-A563 PolarHBondContact O-N 3.44Å |
| 564 | R | 44.1 | Very low | 43.6 | Very low | 226 Ų | 226 | 136.2 Ų | 136.2 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -120.6 | 1.5 | -177.7 | -153.5 | 170.1 | -177.7 | 175.2 | -0.6 | 114 | L561 | L561-R564 PolarHBondContact O-N 3.17Å |
| 565 | H | 47.1 | Very low | 43.3 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 56% | 0.56 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -111.6 | -17 | 179 | -111.7 | 94.9 | 0 | 0 | 0 | 115.1 | I567 K568 | H565-I567 VanDerWaalsContact C-N 3.31Å; H565-I567 PolarHBondContact O-N 2.82Å; H565-K568 PolarHBondContact O-N 3.32Å |
| 566 | Q | 46.4 | Very low | 42.9 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 43% | 0.43 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -77.2 | -14.8 | -178.2 | -63.9 | -167 | 12.1 | 0 | 0 | 114.3 | T107 N562 K568 | T107-Q566 PolarHBondContact OG1-NE2 2.86Å; N562-Q566 VanDerWaalsContact CG-NE2 3.32Å; N562-Q566 PolarHBondContact ND2-NE2 3.34Å; N562-Q566 WeakPolarHBondContact O-CG 3.44Å; N562-Q566 PolarHBondContact OD1-NE2 3.39Å; Q566-K568 PolarHBondContact O-N 3.42Å |
| 567 | I | 44.7 | Very low | 42.3 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -80.5 | 7.4 | 173.8 | -63.4 | 167.5 | 0 | 0 | 0 | 111.6 | H565 | H565-I567 VanDerWaalsContact C-N 3.31Å; H565-I567 PolarHBondContact O-N 2.82Å |
| 568 | K | 43 | Very low | 41.9 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -133.2 | 19 | -176.9 | -104 | -171.6 | 175.1 | -170.8 | 0 | 116 | H565 Q566 | H565-K568 PolarHBondContact O-N 3.32Å; Q566-K568 PolarHBondContact O-N 3.42Å |
| 569 | K | 44.9 | Very low | 41.7 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -144 | 34.6 | -179.9 | -111.4 | -176.8 | -178 | -175 | 0 | 115.9 | | |
| 570 | Q | 39.2 | Very low | 41.2 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -125.2 | 18.2 | 170.5 | -76.6 | -170.3 | -13.1 | 0 | 0 | 113.7 | | |
| 571 | T | 43.3 | Very low | 40.8 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -119 | 147.5 | 170.3 | 32.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 572 | A | 37.9 | Very low | 40.6 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | 70.4 | 68.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 573 | L | 39.5 | Very low | 40.3 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | | | trans | -138 | 109 | 134.2 | -76.5 | -178 | 0 | 0 | 0 | 106.6 | L111 | L111-L573 HydrophobicContact CD2-CD1 3.58Š|
| 574 | V | 41.8 | Very low | 39.9 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | | 76.4 | 123.7 | 92.9 | 162.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 575 | N | 39.2 | Very low | 39.6 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | cis | -159.4 | -162.1 | -16 | -144.4 | 3.9 | 0 | 0 | 0 | 110.1 | | |
| 576 | P | 39.9 | Very low | 39.4 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 62% | 0.623 | 73% | 0.734 | S | S | * | * | | | | -118.2 | -147.7 | -122.3 | 41 | -21.3 | 0 | 0 | 0 | 114.4 | | |
| 577 | I | 35.2 | Very low | 39.3 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | 83.8 | 125.4 | 177.5 | -53.6 | 171 | 0 | 0 | 0 | 112.3 | | |
| 578 | Q | 34.7 | Very low | 39.3 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | | | cis | -149.5 | 138.7 | 3.4 | -132.6 | 157.7 | 6.9 | 0 | 0 | 112.4 | | |
| 579 | H | 34.1 | Very low | 39.2 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | 27.7 | 103.5 | 140.3 | -169.2 | -71.8 | 0 | 0 | 0 | 120.6 | | |
| 580 | L | 35.3 | Very low | 39 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | | | trans | -173.2 | 105.1 | 131.4 | -102.9 | 163.7 | 0 | 0 | 0 | 110.7 | | |
| 581 | E | 35.4 | Very low | 39.2 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | | | trans | -86.4 | 178.6 | 163 | -125.5 | -145.4 | 111.6 | 0 | 0 | 108.8 | E583 | E581-E583 PolarHBondContact OE1-N 3.28Š|
| 582 | P | 39.4 | Very low | 39.1 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | | | cis | -152.2 | 174.4 | 37.1 | 47.9 | -27 | 0 | 0 | 0 | 120.4 | | |
| 583 | E | 38.1 | Very low | 39.2 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 64% | 0.64 | 71% | 0.706 | S | S | * | * | | | trans | 75.9 | 103.6 | 150.6 | -47 | -148 | 156.5 | 0 | 0 | 122.3 | E581 L585 | E581-E583 PolarHBondContact OE1-N 3.28Å; E583-L585 VanDerWaalsContact C-N 3.27Å; E583-L585 PolarHBondContact O-N 3.29Å |
| 584 | E | 35.5 | Very low | 39.2 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | | | | 49 | -14 | 112.4 | -73.9 | -111.9 | 70.3 | 0 | 0 | 123.8 | I586 Q588 | E584-I586 PolarHBondContact O-N 3.34Å; E584-Q588 PolarHBondContact OE1-NE2 3.17Å; E584-Q588 PolarHBondContact OE2-NE2 3.44Å |
| 585 | L | 36 | Very low | 39.1 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -4.5 | -154 | -86.1 | 168.4 | 0 | 0 | 0 | 119.2 | E583 H589 | E583-L585 VanDerWaalsContact C-N 3.27Å; E583-L585 PolarHBondContact O-N 3.29Å; L585-H589 WeakPolarHBondContact O-CB 3.4Å |
| 586 | I | 43.4 | Very low | 39 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -8 | -172.4 | -64 | -178.9 | 0 | 0 | 0 | 114.8 | E584 | E584-I586 PolarHBondContact O-N 3.34Š|
| 587 | K | 45.4 | Very low | 39 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -10.4 | 173.3 | -80.1 | -174.5 | 176.8 | 176.1 | 0 | 116.6 | | |
| 588 | Q | 44.7 | Very low | 39.1 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 42% | 0.416 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -77.5 | -30.4 | 157.2 | -60.3 | -145.3 | 26.5 | 0 | 0 | 111.8 | E584 Y590 H591 H592 | E584-Q588 PolarHBondContact OE1-NE2 3.17Å; E584-Q588 PolarHBondContact OE2-NE2 3.44Å; Q588-Y590 PolarHBondContact O-N 2.82Å; Q588-H591 PolarHBondContact O-N 3.47Å; Q588-H592 WeakPolarHBondContact O-CB 3.39Å; Q588-H592 PolarHBondContact O-N 3.02Å |
| 589 | H | 40.3 | Very low | 39.2 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -7.9 | -172.5 | -151.5 | 92.5 | 0 | 0 | 0 | 116 | L585 | L585-H589 WeakPolarHBondContact O-CB 3.4Š|
| 590 | Y | 39.7 | Very low | 39.3 | Very low | 216 Ų | 216 | 152.7 Ų | 152.7 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 11.4 | 172.2 | -106.5 | -85.7 | 0 | 0 | 0 | 113.9 | Q588 | Q588-Y590 PolarHBondContact O-N 2.82Š|
| 591 | H | 43.9 | Very low | 39.4 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | -16.5 | 174.4 | -140.2 | 60.7 | 0 | 0 | 0 | 114.3 | Q588 | Q588-H591 PolarHBondContact O-N 3.47Š|
| 592 | H | 41.7 | Very low | 39.4 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 54% | 0.537 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -91.9 | -3.1 | 178.8 | -152.4 | -66.1 | 0 | 0 | 0 | 114.1 | Q588 | Q588-H592 WeakPolarHBondContact O-CB 3.39Å; Q588-H592 PolarHBondContact O-N 3.02Å |
| 593 | H | 40 | Very low | 39.3 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 20 | -179.3 | -148.2 | -63.2 | 0 | 0 | 0 | 114.2 | | |
| 594 | H | 40.1 | Very low | 39.2 | Very low | 174 Ų | 174 | 161.2 Ų | 161.2 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.9 | 27.7 | -178.3 | -145.3 | 68.1 | 0 | 0 | 0 | 114.2 | | |
| 595 | Q | 39.7 | Very low | 39.3 | Very low | 146 Ų | 146 | 159.9 Ų | 159.9 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -125.3 | 18.2 | 176.8 | -62.4 | -166.8 | 9.5 | 0 | 0 | 113.6 | | |
| 596 | H | 36.6 | Very low | 39.4 | Very low | 173 Ų | 173 | 163.8 Ų | 163.8 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -118.4 | 25.9 | -174.9 | -110 | -76.7 | 0 | 0 | 0 | 114.8 | | |
| 597 | T | 40.2 | Very low | 39.1 | Very low | 125 Ų | 125 | 162.7 Ų | 162.7 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -132.3 | 5.3 | -179.1 | -24.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 598 | E | 37.1 | Very low | 38.6 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -130.1 | 68.3 | -175.4 | -77.4 | -65.8 | 168.5 | 0 | 0 | 112 | | |
| 599 | H | 35.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 162.7 Ų | 162.7 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -151.3 | 14.2 | 172.2 | -139.6 | -69.9 | 0 | 0 | 0 | 116.5 | | |
| 600 | F | 37.9 | Very low | 38 | Very low | 194 Ų | 194 | 164.9 Ų | 164.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -125.6 | 122.2 | 174.7 | -95.5 | -85.2 | 0 | 0 | 0 | 112.2 | | |
| 601 | K | 37.5 | Very low | 38 | Very low | 184 Ų | 184 | 161.6 Ų | 161.6 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | 61.9 | 91.8 | 167.4 | -54.5 | 176.4 | -176.1 | 177 | 0 | 115.9 | | |
| 602 | N | 34.7 | Very low | 37.7 | Very low | 153 Ų | 153 | 161.2 Ų | 161.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | -155.8 | 107.6 | 115.8 | -98.6 | -22.1 | 0 | 0 | 0 | 112.2 | | |
| 603 | K | 37.4 | Very low | 37.5 | Very low | 212 Ų | 212 | 159.9 Ų | 159.9 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | | | trans | -134.1 | 82.7 | 161.5 | -93 | -170 | 174.2 | -179.7 | 0 | 107 | | |
| 604 | E | 35.5 | Very low | 37.5 | Very low | 187 Ų | 187 | 157.1 Ų | 157.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -77.5 | 140.7 | 163.4 | -69.8 | -166 | 115.2 | 0 | 0 | 109.7 | | |
| 605 | S | 38.8 | Very low | 37.5 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -146.7 | 91.5 | 175.2 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 606 | K | 37.5 | Very low | 37.5 | Very low | 202 Ų | 202 | 156 Ų | 156 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | 62.8 | 121.8 | 159.2 | -57.6 | -177.9 | 178.6 | -178 | 0 | 118.1 | | |
| 607 | P | 36.5 | Very low | 37.5 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -78.6 | 164.2 | 158.9 | 35.2 | -34.3 | 0 | 0 | 0 | 111.3 | | |
| 608 | N | 34.6 | Very low | 37.4 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | | | trans | -148.7 | 158.6 | 161.1 | -149.3 | -13.9 | 0 | 0 | 0 | 110.5 | | |
| 609 | T | 34.4 | Very low | 37.4 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -101.5 | 166.8 | -148.1 | -45.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 610 | K | 38.6 | Very low | 37.4 | Very low | 180 Ų | 180 | 150 Ų | 150 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | 108.2 | 144.9 | 160.2 | -61.9 | 169.8 | -179.5 | -175.8 | 0 | 114.5 | | |
| 611 | H | 39.4 | Very low | 37.4 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | cis | -163.1 | 155 | -2.4 | -126.2 | -57.8 | 0 | 0 | 0 | 111 | | |
| 612 | I | 38.8 | Very low | 37.4 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | | | trans | 67.1 | 146.5 | 146.3 | -87.2 | 154.4 | 0 | 0 | 0 | 119.3 | | |
| 613 | S | 37.7 | Very low | 37.6 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | | | cis | -172.9 | 164.9 | -29.5 | -96.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 614 | T | 39.7 | Very low | 37.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | trans | 62.5 | 112.6 | 149.4 | 45.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 615 | E | 39.9 | Very low | 38.2 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | | 83.2 | 153.8 | 87.7 | -77.2 | -169.9 | 117.6 | 0 | 0 | 113.5 | | |
| 616 | Q | 39.1 | Very low | 38.5 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | cis | -160.2 | 172.9 | 1.8 | -126.1 | -169.1 | 59.6 | 0 | 0 | 106.8 | | |
| 617 | H | 36.8 | Very low | 38.4 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | | | cis | -171.3 | -172.4 | -4.8 | -154.6 | 166 | 0 | 0 | 0 | 109.4 | | |
| 618 | L | 38.2 | Very low | 38.3 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | | | trans | 67.4 | 116.6 | 158.9 | -60.9 | 172.4 | 0 | 0 | 0 | 118.1 | | |
| 619 | N | 36.9 | Very low | 38.2 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | | | | 83.1 | 143.3 | 72.8 | -78.2 | -0 | 0 | 0 | 0 | 113.7 | | |
| 620 | L | 35.8 | Very low | 38.2 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | | | cis | -163.4 | 164.8 | 3 | -109.9 | 160.1 | 0 | 0 | 0 | 109.6 | | |
| 621 | H | 37.6 | Very low | 38.1 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 68% | 0.676 | 69% | 0.694 | S | S | * | * | | | trans | 65.3 | 155.4 | 161.7 | -86.5 | -134.9 | 0 | 0 | 0 | 118 | | |
| 622 | E | 37.1 | Very low | 38 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | | | cis | -157.6 | 166.8 | -14.6 | -131.7 | 179.1 | 153.6 | 0 | 0 | 112.1 | | |
| 623 | T | 39.9 | Very low | 38 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | | | trans | 37.8 | 102.6 | 157.4 | 59.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 624 | S | 42.2 | Very low | 38.1 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | | 68.6 | -178.1 | 121.5 | -37.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 625 | P | 42.2 | Very low | 38 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | | | | -137.6 | -157.5 | -117.5 | 39.7 | -15.1 | 0 | 0 | 0 | 113.6 | | |
| 626 | P | 45.3 | Very low | 37.8 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | | | cis | -120 | -152.1 | -32.7 | 19.2 | 6 | 0 | 0 | 0 | 110.6 | | |
| 627 | I | 35.2 | Very low | 38 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | trans | 98.7 | 121.5 | 151.1 | -60.5 | 170.5 | 0 | 0 | 0 | 118.4 | | |
| 628 | S | 35.2 | Very low | 38.1 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | 86.5 | 95.2 | 151.9 | -72.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 629 | I | 31.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | | 67.2 | 110.6 | 108.3 | -65 | 162.3 | 0 | 0 | 0 | 118.7 | | |
| 630 | T | 34.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | trans | 70.1 | 151.4 | 155.7 | 60.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 631 | Q | 36.9 | Very low | 39.8 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | | | cis | -151.6 | 154.5 | 13.1 | -138.9 | 157.4 | 78.2 | 0 | 0 | 113.5 | | |
| 632 | T | 36.6 | Very low | 40.3 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | | | trans | 50.1 | 106 | 154.2 | 45.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 633 | S | 39.2 | Very low | 40.9 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | | 178 | 99 | 120 | -76.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 634 | Q | 39.1 | Very low | 41.4 | Very low | 182 Ų | 182 | 122.8 Ų | 122.8 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | | | | 66.5 | 52.8 | 77.8 | -65.5 | -162 | 16.7 | 0 | 0 | 117.5 | | |
| 635 | T | 37.8 | Very low | 42.1 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | | | trans | -157.8 | 88.3 | 151.6 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 636 | A | 35.8 | Very low | 42.9 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | | | trans | 172.6 | 66 | 156.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 637 | T | 43.9 | Very low | 43.5 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | | | trans | -141.9 | 64.9 | 171.9 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 638 | M | 38.8 | Very low | 44.5 | Very low | 172 Ų | 172 | 120.2 Ų | 120.2 | 85% | 0.847 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -113.8 | 24.5 | 174 | -148.9 | -162.2 | 78.4 | 0 | 0 | 113.2 | | |
| 639 | L | 48.6 | Very low | 45.8 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -126.4 | -29 | -178.8 | -68.8 | 172.8 | 0 | 0 | 0 | 113.8 | I641 | L639-I641 VanDerWaalsContact C-N 3.3Å; L639-I641 PolarHBondContact O-N 3.44Å |
| 640 | D | 48 | Very low | 47.1 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -15.7 | -172.5 | -53 | -65.7 | 0 | 0 | 0 | 115.1 | Q642 | D640-Q642 VanDerWaalsContact C-N 3.28Å; D640-Q642 PolarHBondContact O-N 3.3Å |
| 641 | I | 49.4 | Very low | 48.5 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 65% | 0.651 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.7 | -23 | -177.2 | -62.4 | 176.3 | 0 | 0 | 0 | 112.1 | L639 S644 T645 | L639-I641 VanDerWaalsContact C-N 3.3Å; L639-I641 PolarHBondContact O-N 3.44Å; I641-S644 PolarHBondContact O-OG 2.96Å; I641-T645 PolarHBondContact O-OG1 2.93Å |
| 642 | Q | 47.5 | Very low | 49.7 | Very low | 150 Ų | 150 | 115.6 Ų | 115.6 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.9 | -30.6 | -179.5 | -68.6 | -172.2 | -13.2 | 0 | 0 | 113.2 | D640 I646 | D640-Q642 VanDerWaalsContact C-N 3.28Å; D640-Q642 PolarHBondContact O-N 3.3Å; Q642-I646 WeakPolarHBondContact O-CG1 3.35Å; Q642-I646 PolarHBondContact O-N 3.14Å |
| 643 | S | 50.4 | Low | 50.8 | Low | 72 Ų | 72 | 117.8 Ų | 117.8 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.6 | -46.1 | -177.6 | -160 | 0 | 0 | 0 | 0 | 112.4 | T645 I646 D647 | S643-T645 PolarHBondContact O-N 3.01Å; S643-I646 WeakPolarHBondContact O-CB 3.37Å; S643-I646 PolarHBondContact O-N 2.86Å; S643-D647 PolarHBondContact O-N 3.02Å; S643-D647 VanDerWaalsContact O-N 3.16Å |
| 644 | S | 50.1 | Low | 51.7 | Low | 65 Ų | 65 | 116.8 Ų | 116.8 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.3 | -26.4 | -179.2 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | I641 Q648 | I641-S644 PolarHBondContact O-OG 2.96Å; S644-Q648 WeakPolarHBondContact O-CG 3.49Å; S644-Q648 PolarHBondContact O-N 2.92Å |
| 645 | T | 58.4 | Low | 52.8 | Low | 81 Ų | 81 | 111.6 Ų | 111.6 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.3 | -38.3 | 173.9 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | I641 S643 V649 | I641-T645 PolarHBondContact O-OG1 2.93Å; S643-T645 PolarHBondContact O-N 3.01Å; T645-V649 WeakPolarHBondContact O-CG2 3.49Å; T645-V649 PolarHBondContact O-N 3.14Å |
| 646 | I | 58.4 | Low | 53.8 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -42.4 | 177.4 | -69.1 | 167.3 | 0 | 0 | 0 | 110.5 | Q642 S643 Q648 V649 N650 | Q642-I646 WeakPolarHBondContact O-CG1 3.35Å; Q642-I646 PolarHBondContact O-N 3.14Å; S643-I646 WeakPolarHBondContact O-CB 3.37Å; S643-I646 PolarHBondContact O-N 2.86Å; I646-Q648 PolarHBondContact O-N 3.25Å; I646-V649 PolarHBondContact O-N 3.35Å; I646-N650 VanDerWaalsContact O-CG 3.32Å; I646-N650 PolarHBondContact O-N 3.15Å; I646-N650 PolarHBondContact O-ND2 2.91Å |
| 647 | D | 56.7 | Low | 54.8 | Low | 96 Ų | 96 | 111.9 Ų | 111.9 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -37.6 | 179.8 | -66.7 | -38.7 | 0 | 0 | 0 | 112.9 | S643 N650 W651 | S643-D647 PolarHBondContact O-N 3.02Å; S643-D647 VanDerWaalsContact O-N 3.16Å; D647-N650 PolarHBondContact O-N 3.21Å; D647-W651 WeakPolarHBondContact O-CB 3.35Å; D647-W651 PolarHBondContact O-N 3.23Å |
| 648 | Q | 57.3 | Low | 55.5 | Low | 146 Ų | 146 | 109.3 Ų | 109.3 | 68% | 0.682 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -39.5 | 172.9 | -71.5 | -176.9 | 18.1 | 0 | 0 | 112.4 | S644 I646 W651 A652 | S644-Q648 WeakPolarHBondContact O-CG 3.49Å; S644-Q648 PolarHBondContact O-N 2.92Å; I646-Q648 PolarHBondContact O-N 3.25Å; Q648-W651 PolarHBondContact O-N 3.05Å; Q648-A652 WeakPolarHBondContact O-CB 3.46Å; Q648-A652 PolarHBondContact O-N 2.7Å |
| 649 | V | 62 | Low | 56.5 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.3 | -40.1 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | T645 I646 A652 R653 | T645-V649 WeakPolarHBondContact O-CG2 3.49Å; T645-V649 PolarHBondContact O-N 3.14Å; I646-V649 PolarHBondContact O-N 3.35Å; V649-A652 PolarHBondContact O-N 3.2Å; V649-R653 WeakPolarHBondContact O-CB 3.47Å; V649-R653 PolarHBondContact O-N 2.83Å |
| 650 | N | 59.1 | Low | 57.2 | Low | 68 Ų | 68 | 102 Ų | 102 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 174.3 | -71.3 | -29.7 | 0 | 0 | 0 | 111.2 | I646 D647 A652 R653 D654 | I646-N650 VanDerWaalsContact O-CG 3.32Å; I646-N650 PolarHBondContact O-N 3.15Å; I646-N650 PolarHBondContact O-ND2 2.91Å; D647-N650 PolarHBondContact O-N 3.21Å; N650-A652 VanDerWaalsContact C-N 3.32Å; N650-A652 PolarHBondContact O-N 3.28Å; N650-R653 WeakPolarHBondContact O-CB 3.5Å; N650-R653 PolarHBondContact O-N 2.69Å; N650-D654 PolarHBondContact O-N 3.16Å |
| 651 | W | 63.6 | Low | 57.8 | Low | 194 Ų | 194 | 101.1 Ų | 101.1 | 74% | 0.735 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -39.3 | 178.6 | -161 | 75 | 0 | 0 | 0 | 112.3 | D647 Q648 N655 | D647-W651 WeakPolarHBondContact O-CB 3.35Å; D647-W651 PolarHBondContact O-N 3.23Å; Q648-W651 PolarHBondContact O-N 3.05Å; W651-N655 VanDerWaalsContact CD2-ND2 3.33Å; W651-N655 WeakPolarHBondContact O-CB 3.41Å; W651-N655 PolarHBondContact O-N 3.36Å; W651-N655 VanDerWaalsContact O-N 3.1Å; W651-N655 PolarHBondContact O-ND2 2.85Å |
| 652 | A | 62.4 | Low | 58.4 | Low | 54 Ų | 54 | 100.3 Ų | 100.3 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q648 V649 N650 H656 | Q648-A652 WeakPolarHBondContact O-CB 3.46Å; Q648-A652 PolarHBondContact O-N 2.7Å; V649-A652 PolarHBondContact O-N 3.2Å; N650-A652 VanDerWaalsContact C-N 3.32Å; N650-A652 PolarHBondContact O-N 3.28Å; A652-H656 PolarHBondContact O-N 3.18Å |
| 653 | R | 60.9 | Low | 59 | Low | 152 Ų | 152 | 97.9 Ų | 97.9 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | -179.9 | -160.5 | 177.8 | 87.2 | 137.2 | 4.9 | 112.5 | V649 N650 H656 H657 | V649-R653 WeakPolarHBondContact O-CB 3.47Å; V649-R653 PolarHBondContact O-N 2.83Å; N650-R653 WeakPolarHBondContact O-CB 3.5Å; N650-R653 PolarHBondContact O-N 2.69Å; R653-H656 PolarHBondContact O-N 3.39Å; R653-H657 PolarHBondContact O-N 2.95Å |
| 654 | D | 58 | Low | 59.6 | Low | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.7 | -33.7 | -179.3 | -66.2 | -18.7 | 0 | 0 | 0 | 111.7 | N650 H656 H657 S658 | N650-D654 PolarHBondContact O-N 3.16Å; D654-H656 VanDerWaalsContact C-N 3.34Å; D654-H656 PolarHBondContact O-N 2.99Å; D654-H657 PolarHBondContact O-N 3.08Å; D654-S658 WeakPolarHBondContact O-CB 3.34Å; D654-S658 PolarHBondContact O-N 3.02Å |
| 655 | N | 60.8 | Low | 60.1 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 40% | 0.396 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 167.6 | -84.8 | -70.5 | 0 | 0 | 0 | 112.4 | W651 S658 H659 | W651-N655 VanDerWaalsContact CD2-ND2 3.33Å; W651-N655 WeakPolarHBondContact O-CB 3.41Å; W651-N655 PolarHBondContact O-N 3.36Å; W651-N655 VanDerWaalsContact O-N 3.1Å; W651-N655 PolarHBondContact O-ND2 2.85Å; N655-S658 WeakPolarHBondContact O-CB 3.5Å; N655-S658 PolarHBondContact O-N 2.83Å; N655-H659 PolarHBondContact O-N 3.32Å |
| 656 | H | 59.6 | Low | 60.2 | Low | 141 Ų | 141 | 103.9 Ų | 103.9 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -39.6 | 174.6 | -115.5 | -62 | 0 | 0 | 0 | 112.5 | A652 R653 D654 H659 V660 | A652-H656 PolarHBondContact O-N 3.18Å; R653-H656 PolarHBondContact O-N 3.39Å; D654-H656 VanDerWaalsContact C-N 3.34Å; D654-H656 PolarHBondContact O-N 2.99Å; H656-H659 PolarHBondContact O-N 3.46Å; H656-V660 WeakPolarHBondContact O-CG2 3.26Å; H656-V660 PolarHBondContact O-N 3.48Å; H656-V660 VanDerWaalsContact O-N 3.11Å |
| 657 | H | 56.6 | Low | 60.5 | Low | 103 Ų | 103 | 103.8 Ų | 103.8 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 172.5 | -88 | -61.4 | 0 | 0 | 0 | 112.7 | R653 D654 V660 N661 | R653-H657 PolarHBondContact O-N 2.95Å; D654-H657 PolarHBondContact O-N 3.08Å; H657-V660 PolarHBondContact O-N 3.31Å; H657-N661 WeakPolarHBondContact O-CB 3.5Å; H657-N661 VanDerWaalsContact O-CG 3.27Å; H657-N661 PolarHBondContact O-N 2.91Å; H657-N661 PolarHBondContact O-ND2 3.29Å |
| 658 | S | 58.7 | Low | 60.7 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 43% | 0.427 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | D654 N655 N661 Q662 | D654-S658 WeakPolarHBondContact O-CB 3.34Å; D654-S658 PolarHBondContact O-N 3.02Å; N655-S658 WeakPolarHBondContact O-CB 3.5Å; N655-S658 PolarHBondContact O-N 2.83Å; S658-N661 PolarHBondContact O-N 3Å; S658-Q662 PolarHBondContact O-N 2.78Å |
| 659 | H | 59.9 | Low | 60.7 | Low | 98 Ų | 98 | 100.5 Ų | 100.5 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | -179.3 | -165.8 | 73.7 | 0 | 0 | 0 | 113.1 | N655 H656 N661 Q662 Q663 | N655-H659 PolarHBondContact O-N 3.32Å; H656-H659 PolarHBondContact O-N 3.46Å; H659-N661 VanDerWaalsContact C-N 3.34Å; H659-Q662 PolarHBondContact O-N 2.94Å; H659-Q663 PolarHBondContact CD2-NE2 3.02Å; H659-Q663 VanDerWaalsContact CD2-NE2 3.3Å; H659-Q663 PolarHBondContact NE2-NE2 3.15Å; H659-Q663 PolarHBondContact O-N 2.88Å |
| 660 | V | 63.9 | Low | 60.7 | Low | 64 Ų | 64 | 99.2 Ų | 99.2 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | H656 H657 Q663 H664 | H656-V660 WeakPolarHBondContact O-CG2 3.26Å; H656-V660 PolarHBondContact O-N 3.48Å; H656-V660 VanDerWaalsContact O-N 3.11Å; H657-V660 PolarHBondContact O-N 3.31Å; V660-Q663 PolarHBondContact O-N 3.38Å; V660-H664 PolarHBondContact O-N 3.15Å |
| 661 | N | 60.3 | Low | 60.8 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 175.1 | -75.2 | -19.8 | 0 | 0 | 0 | 112.5 | H657 S658 H659 H664 Q665 | H657-N661 WeakPolarHBondContact O-CB 3.5Å; H657-N661 VanDerWaalsContact O-CG 3.27Å; H657-N661 PolarHBondContact O-N 2.91Å; H657-N661 PolarHBondContact O-ND2 3.29Å; S658-N661 PolarHBondContact O-N 3Å; H659-N661 VanDerWaalsContact C-N 3.34Å; N661-H664 PolarHBondContact O-N 3.09Å; N661-Q665 WeakPolarHBondContact O-CG 3.26Å; N661-Q665 PolarHBondContact O-N 3.5Å |
| 662 | Q | 61.1 | Low | 60.3 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 170.5 | -78.1 | -172.2 | -9.2 | 0 | 0 | 111.9 | S658 H659 H664 Q665 L666 | S658-Q662 PolarHBondContact O-N 2.78Å; H659-Q662 PolarHBondContact O-N 2.94Å; Q662-H664 VanDerWaalsContact C-N 3.34Å; Q662-H664 PolarHBondContact O-N 3.38Å; Q662-Q665 PolarHBondContact O-N 3.06Å; Q662-L666 WeakPolarHBondContact O-CG 3.44Å; Q662-L666 PolarHBondContact O-N 3.14Å |
| 663 | Q | 61.3 | Low | 60 | Low | 99 Ų | 99 | 95.5 Ų | 95.5 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.3 | -68.2 | -173.7 | 15.3 | 0 | 0 | 111.9 | H659 V660 L666 I667 | H659-Q663 PolarHBondContact CD2-NE2 3.02Å; H659-Q663 VanDerWaalsContact CD2-NE2 3.3Å; H659-Q663 PolarHBondContact NE2-NE2 3.15Å; H659-Q663 PolarHBondContact O-N 2.88Å; V660-Q663 PolarHBondContact O-N 3.38Å; Q663-L666 PolarHBondContact O-N 2.82Å; Q663-I667 WeakPolarHBondContact O-CB 3.42Å; Q663-I667 WeakPolarHBondContact O-CD1 3.39Å; Q663-I667 VanDerWaalsContact O-CG1 3.26Å; Q663-I667 WeakPolarHBondContact O-CG1 3.43Å; Q663-I667 PolarHBondContact O-N 3.42Å |
| 664 | H | 61.7 | Low | 59.8 | Low | 100 Ų | 100 | 94.5 Ų | 94.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 172.5 | -96 | -105.2 | 0 | 0 | 0 | 112.6 | V660 N661 Q662 L666 I667 E668 | V660-H664 PolarHBondContact O-N 3.15Å; N661-H664 PolarHBondContact O-N 3.09Å; Q662-H664 VanDerWaalsContact C-N 3.34Å; Q662-H664 PolarHBondContact O-N 3.38Å; H664-L666 PolarHBondContact O-N 3.25Å; H664-I667 PolarHBondContact O-N 3.24Å; H664-E668 WeakPolarHBondContact O-CB 3.32Å; H664-E668 WeakPolarHBondContact O-CG 3.31Å; H664-E668 PolarHBondContact O-N 3.44Å |
| 665 | Q | 60.3 | Low | 59.7 | Low | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 178 | -73.7 | 175.2 | -1.1 | 0 | 0 | 112.8 | N661 Q662 S669 | N661-Q665 WeakPolarHBondContact O-CG 3.26Å; N661-Q665 PolarHBondContact O-N 3.5Å; Q662-Q665 PolarHBondContact O-N 3.06Å; Q665-S669 VanDerWaalsContact O-CB 3.31Å; Q665-S669 WeakPolarHBondContact O-CB 3.23Å; Q665-S669 PolarHBondContact O-N 3.38Å; Q665-S669 PolarHBondContact O-OG 2.98Å |
| 666 | L | 61.2 | Low | 59.2 | Low | 116 Ų | 116 | 97.8 Ų | 97.8 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -35.6 | 173.3 | -70.9 | 169.5 | 0 | 0 | 0 | 112.2 | Q662 Q663 H664 S669 S670 | Q662-L666 WeakPolarHBondContact O-CG 3.44Å; Q662-L666 PolarHBondContact O-N 3.14Å; Q663-L666 PolarHBondContact O-N 2.82Å; H664-L666 PolarHBondContact O-N 3.25Å; L666-S669 PolarHBondContact O-OG 3.35Å; L666-S670 VanDerWaalsContact O-CB 3.32Å; L666-S670 WeakPolarHBondContact O-CB 3.44Å; L666-S670 PolarHBondContact O-N 3.06Å; L666-S670 PolarHBondContact O-OG 3.14Å |
| 667 | I | 64.2 | Low | 58.7 | Low | 95 Ų | 95 | 95.8 Ų | 95.8 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.7 | -44.6 | 174.9 | -70.4 | 165.4 | 0 | 0 | 0 | 111.1 | Q663 H664 S670 I671 | Q663-I667 WeakPolarHBondContact O-CB 3.42Å; Q663-I667 WeakPolarHBondContact O-CD1 3.39Å; Q663-I667 VanDerWaalsContact O-CG1 3.26Å; Q663-I667 WeakPolarHBondContact O-CG1 3.43Å; Q663-I667 PolarHBondContact O-N 3.42Å; H664-I667 PolarHBondContact O-N 3.24Å; I667-S670 PolarHBondContact O-N 3.03Å; I667-I671 HydrophobicContact CG2-CD1 3.68Å; I667-I671 HydrophobicContact CG2-CG1 4.47Å; I667-I671 WeakPolarHBondContact O-CB 3.48Å; I667-I671 VanDerWaalsContact O-CG1 3.26Å; I667-I671 WeakPolarHBondContact O-CG1 3.39Å; I667-I671 PolarHBondContact O-N 3.31Å |
| 668 | E | 61.1 | Low | 58.5 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | -179.3 | -73.1 | 180 | 166.4 | 0 | 0 | 112.1 | H664 S670 I671 D672 | H664-E668 WeakPolarHBondContact O-CB 3.32Å; H664-E668 WeakPolarHBondContact O-CG 3.31Å; H664-E668 PolarHBondContact O-N 3.44Å; E668-S670 VanDerWaalsContact C-N 3.31Å; E668-S670 PolarHBondContact O-N 3.3Å; E668-I671 PolarHBondContact O-N 3.45Å; E668-I671 VanDerWaalsContact O-N 3.14Å; E668-D672 PolarHBondContact O-N 2.86Å |
| 669 | S | 57.5 | Low | 57.3 | Low | 64 Ų | 64 | 101.3 Ų | 101.3 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 173.5 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | Q665 L666 S673 | Q665-S669 VanDerWaalsContact O-CB 3.31Å; Q665-S669 WeakPolarHBondContact O-CB 3.23Å; Q665-S669 PolarHBondContact O-N 3.38Å; Q665-S669 PolarHBondContact O-OG 2.98Å; L666-S669 PolarHBondContact O-OG 3.35Å; S669-S673 WeakPolarHBondContact O-CB 3.38Å; S669-S673 PolarHBondContact O-N 3.45Å; S669-S673 PolarHBondContact O-OG 3.4Å |
| 670 | S | 62.9 | Low | 56.3 | Low | 65 Ų | 65 | 104.5 Ų | 104.5 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -44.1 | 171.2 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | L666 I667 E668 S673 I674 | L666-S670 VanDerWaalsContact O-CB 3.32Å; L666-S670 WeakPolarHBondContact O-CB 3.44Å; L666-S670 PolarHBondContact O-N 3.06Å; L666-S670 PolarHBondContact O-OG 3.14Å; I667-S670 PolarHBondContact O-N 3.03Å; E668-S670 VanDerWaalsContact C-N 3.31Å; E668-S670 PolarHBondContact O-N 3.3Å; S670-S673 PolarHBondContact O-N 3.33Å; S670-I674 WeakPolarHBondContact O-CD1 3.39Å; S670-I674 VanDerWaalsContact O-CG1 3.28Å; S670-I674 WeakPolarHBondContact O-CG1 3.48Å; S670-I674 PolarHBondContact O-N 3.14Å; S670-I674 VanDerWaalsContact O-N 3.08Å |
| 671 | I | 60.8 | Low | 55.5 | Low | 77 Ų | 77 | 108.5 Ų | 108.5 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -41.3 | 178.7 | -75.4 | 168.7 | 0 | 0 | 0 | 111.3 | I667 E668 I674 K675 | I667-I671 HydrophobicContact CG2-CD1 3.68Å; I667-I671 HydrophobicContact CG2-CG1 4.47Å; I667-I671 WeakPolarHBondContact O-CB 3.48Å; I667-I671 VanDerWaalsContact O-CG1 3.26Å; I667-I671 WeakPolarHBondContact O-CG1 3.39Å; I667-I671 PolarHBondContact O-N 3.31Å; E668-I671 PolarHBondContact O-N 3.45Å; E668-I671 VanDerWaalsContact O-N 3.14Å; I671-I674 PolarHBondContact O-N 2.87Å; I671-K675 HydrophobicContact CG2-CD 4.39Å; I671-K675 VanDerWaalsContact CG2-CE 3.43Å; I671-K675 WeakPolarHBondContact O-CG 3.44Å; I671-K675 PolarHBondContact O-N 2.91Å |
| 672 | D | 53.5 | Low | 54.3 | Low | 87 Ų | 87 | 110.2 Ų | 110.2 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.7 | -31 | 179.9 | -72.6 | -15.7 | 0 | 0 | 0 | 112.5 | E668 I674 K675 S676 | E668-D672 PolarHBondContact O-N 2.86Å; D672-I674 VanDerWaalsContact C-N 3.32Å; D672-I674 PolarHBondContact O-N 3.36Å; D672-K675 PolarHBondContact O-N 3.14Å; D672-K675 WeakPolarHBondContact OD1-CD 3.45Å; D672-K675 WeakPolarHBondContact OD1-CE 3.4Å; D672-K675 IonicContact OD1-NZ 3.73Å; D672-K675 PolarHBondContact OD1-NZ 2.94Å; D672-S676 VanDerWaalsContact O-CB 3.3Å; D672-S676 WeakPolarHBondContact O-CB 2.81Å; D672-S676 PolarHBondContact O-N 3.08Å |
| 673 | S | 56.3 | Low | 53.2 | Low | 75 Ų | 75 | 109.4 Ų | 109.4 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.1 | -43.2 | 166.4 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S669 S670 S676 S677 | S669-S673 WeakPolarHBondContact O-CB 3.38Å; S669-S673 PolarHBondContact O-N 3.45Å; S669-S673 PolarHBondContact O-OG 3.4Å; S670-S673 PolarHBondContact O-N 3.33Å; S673-S676 PolarHBondContact O-N 2.63Å; S673-S677 PolarHBondContact O-N 2.9Å; S673-S677 PolarHBondContact O-OG 3.39Å |
| 674 | I | 57 | Low | 52 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69 | -35.5 | 177.4 | -68.1 | 164.4 | 0 | 0 | 0 | 111.8 | S670 I671 D672 | S670-I674 WeakPolarHBondContact O-CD1 3.39Å; S670-I674 VanDerWaalsContact O-CG1 3.28Å; S670-I674 WeakPolarHBondContact O-CG1 3.48Å; S670-I674 PolarHBondContact O-N 3.14Å; S670-I674 VanDerWaalsContact O-N 3.08Å; I671-I674 PolarHBondContact O-N 2.87Å; D672-I674 VanDerWaalsContact C-N 3.32Å; D672-I674 PolarHBondContact O-N 3.36Å |
| 675 | K | 55.5 | Low | 51.2 | Low | 137 Ų | 137 | 111.7 Ų | 111.7 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.6 | -36.4 | 172.5 | -69.9 | 173.3 | -162.5 | 151.4 | 0 | 112.6 | I671 D672 S677 | I671-K675 HydrophobicContact CG2-CD 4.39Å; I671-K675 VanDerWaalsContact CG2-CE 3.43Å; I671-K675 WeakPolarHBondContact O-CG 3.44Å; I671-K675 PolarHBondContact O-N 2.91Å; D672-K675 PolarHBondContact O-N 3.14Å; D672-K675 WeakPolarHBondContact OD1-CD 3.45Å; D672-K675 WeakPolarHBondContact OD1-CE 3.4Å; D672-K675 IonicContact OD1-NZ 3.73Å; D672-K675 PolarHBondContact OD1-NZ 2.94Å; K675-S677 VanDerWaalsContact C-N 3.31Å; K675-S677 PolarHBondContact O-N 3.39Å |
| 676 | S | 50.1 | Low | 50 | Low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.1 | -28.8 | -178.5 | -167.5 | 0 | 0 | 0 | 0 | 112.5 | D672 S673 K678 | D672-S676 VanDerWaalsContact O-CB 3.3Å; D672-S676 WeakPolarHBondContact O-CB 2.81Å; D672-S676 PolarHBondContact O-N 3.08Å; S673-S676 PolarHBondContact O-N 2.63Å; S676-K678 PolarHBondContact O-N 3.03Å |
| 677 | S | 49.6 | Very low | 49.2 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 69% | 0.685 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 19.9 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 115.2 | S673 K675 C679 | S673-S677 PolarHBondContact O-N 2.9Å; S673-S677 PolarHBondContact O-OG 3.39Å; K675-S677 VanDerWaalsContact C-N 3.31Å; K675-S677 PolarHBondContact O-N 3.39Å; S677-C679 PolarHBondContact O-N 2.89Å |
| 678 | K | 50.7 | Low | 48.1 | Very low | 186 Ų | 186 | 117.8 Ų | 117.8 | 81% | 0.809 | 66% | 0.662 | S | S | * | * | | | trans | -77.1 | 89.9 | 175 | -169 | 172.2 | -177.2 | 179.6 | 0 | 110.3 | S676 | S676-K678 PolarHBondContact O-N 3.03Š|
| 679 | C | 34.7 | Very low | 47.3 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | | | trans | -47.2 | 134.8 | -176.8 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | S677 I681 | S677-C679 PolarHBondContact O-N 2.89Å; C679-I681 PolarHBondContact O-N 3.31Å |
| 680 | I | 38 | Very low | 46.7 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | | | trans | -65.4 | 117.6 | 166.5 | -60.7 | 164.3 | 0 | 0 | 0 | 107.3 | | |
| 681 | I | 47.8 | Very low | 46.1 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | | | trans | -117.7 | 108.7 | 163.5 | -60.6 | -179.9 | 0 | 0 | 0 | 105.5 | C679 | C679-I681 PolarHBondContact O-N 3.31Š|
| 682 | D | 35.7 | Very low | 45.5 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | trans | -81.4 | 159.1 | 179.3 | -151.8 | -26.6 | 0 | 0 | 0 | 110.7 | | |
| 683 | S | 38.1 | Very low | 45.3 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 13.6 | 133.1 | 159.7 | -60.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 684 | S | 35.2 | Very low | 44.9 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 62.6 | 91.2 | 153.6 | 57.4 | 0 | 0 | 0 | 0 | 119 | | |
| 685 | S | 44.9 | Very low | 44.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -149.1 | 143.5 | 134.4 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 686 | Y | 35.7 | Very low | 43.4 | Very low | 220 Ų | 220 | 145.5 Ų | 145.5 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | | | trans | -121.8 | 96.9 | 177.2 | -176.8 | -85.6 | 0 | 0 | 0 | 107.2 | | |
| 687 | S | 44.6 | Very low | 43.3 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | -141.7 | 131.8 | 169.3 | -151.5 | 0 | 0 | 0 | 0 | 109.5 | D689 | S687-D689 PolarHBondContact OG-OD2 2.74Š|
| 688 | L | 39.8 | Very low | 43.1 | Very low | 150 Ų | 150 | 150 Ų | 150 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -104 | 120.6 | 170 | -71.4 | 164.1 | 0 | 0 | 0 | 106.6 | | |
| 689 | D | 45.4 | Very low | 42.7 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | -145.1 | 146.8 | 169.9 | -84.7 | -63 | 0 | 0 | 0 | 110.4 | S687 | S687-D689 PolarHBondContact OG-OD2 2.74Š|
| 690 | E | 43.5 | Very low | 43.1 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -95 | 115.1 | -162.7 | -57.1 | -179.7 | 113.4 | 0 | 0 | 113.3 | | |
| 691 | T | 51.3 | Low | 43.9 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -151.3 | 42.5 | 169 | 38 | 0 | 0 | 0 | 0 | 114 | D693 | T691-D693 PolarHBondContact O-N 3.48Š|
| 692 | D | 47.8 | Very low | 44.4 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -94.9 | 45.8 | -174.5 | -145.9 | 11.6 | 0 | 0 | 0 | 113.5 | | |
| 693 | D | 49 | Very low | 45.9 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -151 | 64.5 | -174.5 | -140.6 | -6.7 | 0 | 0 | 0 | 113.8 | T691 | T691-D693 PolarHBondContact O-N 3.48Š|
| 694 | L | 48.6 | Very low | 47.5 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -170.1 | 56.5 | 161.9 | -111.9 | 177.2 | 0 | 0 | 0 | 116.1 | | |
| 695 | C | 39.8 | Very low | 49.5 | Very low | 115 Ų | 115 | 159 Ų | 159 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -143.9 | 23.6 | 175.6 | 65.9 | 0 | 0 | 0 | 0 | 117.5 | I697 | C695-I697 VanDerWaalsContact C-N 3.26Å; C695-I697 PolarHBondContact O-N 3.16Å; C695-I697 VanDerWaalsContact O-N 3.11Å |
| 696 | Y | 41.7 | Very low | 51.4 | Low | 234 Ų | 234 | 159.4 Ų | 159.4 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | | | trans | -78.8 | 15.6 | -175.9 | -157.5 | -106.5 | 0 | 0 | 0 | 116.5 | | |
| 697 | I | 47.4 | Very low | 53.8 | Low | 147 Ų | 147 | 160 Ų | 160 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | | | trans | -136.4 | 85.1 | 167.3 | -52.8 | -178 | 0 | 0 | 0 | 110.5 | C695 | C695-I697 VanDerWaalsContact C-N 3.26Å; C695-I697 PolarHBondContact O-N 3.16Å; C695-I697 VanDerWaalsContact O-N 3.11Å |
| 698 | N | 44.6 | Very low | 55.8 | Low | 147 Ų | 147 | 160.2 Ų | 160.2 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -151 | 104 | 147 | -99.6 | -41.1 | 0 | 0 | 0 | 108.1 | | |
| 699 | Q | 43 | Very low | 58.4 | Low | 173 Ų | 173 | 157.6 Ų | 157.6 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | | | trans | -84 | 151.4 | -177 | -62.5 | -179.2 | 16.9 | 0 | 0 | 110.4 | | |
| 700 | S | 43.6 | Very low | 60.9 | Low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 57.2 | 78.6 | -178.7 | 53.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 701 | N | 53.7 | Low | 63.4 | Low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | | -178.6 | 15 | 126.3 | -91.6 | -25.5 | 0 | 0 | 0 | 115.8 | | |
| 702 | D | 59.5 | Low | 65.6 | Low | 134 Ų | 134 | 150.7 Ų | 150.7 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | -48.5 | 123.5 | 176.7 | -70.2 | -65.1 | 0 | 0 | 0 | 113.5 | K704 | D702-K704 PolarHBondContact O-N 3.09Š|
| 703 | P | 67.5 | Low | 68 | Low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | | | trans | -67.5 | 102.6 | 175.8 | 26.7 | -32.8 | 0 | 0 | 0 | 109.4 | R705 | P703-R705 PolarHBondContact O-N 3Š|
| 704 | K | 71.1 | Confident | 70.3 | Confident | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | | | trans | -46.4 | 100.3 | 178.9 | -65.4 | 165.8 | -174.7 | 160.7 | 0 | 110.3 | D702 T706 | D702-K704 PolarHBondContact O-N 3.09Å; K704-T706 PolarHBondContact O-N 3.47Å |
| 705 | R | 77.3 | Confident | 72.7 | Confident | 243 Ų | 243 | 136.6 Ų | 136.6 | 92% | 0.917 | 69% | 0.686 | S | S | * | * | | | trans | -41.9 | 107.7 | -170.4 | -68.6 | -169.9 | -177.1 | -158.2 | 2.9 | 111.5 | P703 R707 | P703-R705 PolarHBondContact O-N 3Å; R705-R707 PolarHBondContact O-N 2.8Å |
| 706 | T | 83.6 | Confident | 75.5 | Confident | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | | | trans | -57.4 | 131.9 | -173.3 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | K704 T708 | K704-T706 PolarHBondContact O-N 3.47Å; T706-T708 PolarHBondContact O-N 3.31Å; T706-T708 VanDerWaalsContact O-N 3.16Å |
| 707 | R | 86.8 | Confident | 78.2 | Confident | 234 Ų | 234 | 125.7 Ų | 125.7 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | | | trans | -72.4 | 109.1 | 176.6 | -70.8 | -179 | 174.7 | -84.5 | -1.5 | 109.4 | R705 A709 | R705-R707 PolarHBondContact O-N 2.8Å; R707-A709 PolarHBondContact O-N 3.32Å |
| 708 | T | 86.9 | Confident | 80.6 | Confident | 103 Ų | 103 | 118.7 Ų | 118.7 | 63% | 0.632 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 123.3 | 166.4 | 53.7 | 0 | 0 | 0 | 0 | 109.7 | T706 | T706-T708 PolarHBondContact O-N 3.31Å; T706-T708 VanDerWaalsContact O-N 3.16Å |
| 709 | A | 94 | Very high | 83.2 | Confident | 94 Ų | 94 | 114.2 Ų | 114.2 | 78% | 0.777 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 147.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R707 | R707-A709 PolarHBondContact O-N 3.32Š|
| 710 | Y | 97.2 | Very high | 85.8 | Confident | 61 Ų | 61 | 111.5 Ų | 111.5 | 24% | 0.239 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -83 | 144.9 | 168.7 | -59.8 | -67.5 | 0 | 0 | 0 | 109.5 | L742 Q746 W750 | Y710-L742 HydrophobicContact CD1-CD1 3.72Å; Y710-L742 HydrophobicContact CD1-CD2 3.88Å; Y710-L742 HydrophobicContact CD1-CG 4.48Å; Y710-L742 HydrophobicContact CE1-CD1 3.73Å; Y710-L742 HydrophobicContact CE1-CD2 3.8Å; Y710-L742 HydrophobicContact CE1-CG 4.42Å; Y710-Q746 HydrophobicContact CE1-CB 4.36Å; Y710-W750 AromaticContact CD2-CD1 3.95Å; Y710-W750 AromaticContact CE2-CD1 3.71Å |
| 711 | T | 97.5 | Very high | 88.4 | Confident | 76 Ų | 76 | 107.1 Ų | 107.1 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 159.3 | 175.6 | 74.8 | 0 | 0 | 0 | 0 | 110.9 | Q713 Q714 I715 | T711-Q713 PolarHBondContact O-N 3.05Å; T711-Q714 PolarHBondContact O-N 3.01Å; T711-Q714 WeakPolarHBondContact OG1-CG 3.41Å; T711-Q714 PolarHBondContact OG1-N 3.39Å; T711-Q714 VanDerWaalsContact OG1-N 3.14Å; T711-I715 WeakPolarHBondContact O-CG1 3.34Å; T711-I715 PolarHBondContact O-N 3.11Å |
| 712 | R | 97.6 | Very high | 90.5 | Very high | 199 Ų | 199 | 99.7 Ų | 99.7 | 75% | 0.751 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.8 | -38.8 | 175.8 | -174.9 | 175.5 | 179.6 | -93.1 | 1.6 | 111.8 | I715 L716 | R712-I715 PolarHBondContact O-N 2.9Å; R712-L716 HydrophobicContact CG-CD1 4.21Å; R712-L716 WeakPolarHBondContact O-CG 3.28Å; R712-L716 PolarHBondContact O-N 3.1Å |
| 713 | Q | 97.6 | Very high | 92.3 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 177.9 | -172.8 | 59.9 | 17.6 | 0 | 0 | 112.3 | T711 I715 L716 E717 | T711-Q713 PolarHBondContact O-N 3.05Å; Q713-I715 VanDerWaalsContact C-N 3.29Å; Q713-I715 PolarHBondContact O-N 3.45Å; Q713-L716 PolarHBondContact O-N 3.44Å; Q713-E717 PolarHBondContact O-N 3.24Å; Q713-E717 VanDerWaalsContact O-N 3.09Å |
| 714 | Q | 98.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 103 Ų | 103 | 11% | 0.107 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 173.9 | -73.6 | 171.5 | -22.3 | 0 | 0 | 111.2 | T711 L718 L740 L742 | T711-Q714 PolarHBondContact O-N 3.01Å; T711-Q714 WeakPolarHBondContact OG1-CG 3.41Å; T711-Q714 PolarHBondContact OG1-N 3.39Å; T711-Q714 VanDerWaalsContact OG1-N 3.14Å; Q714-L718 VanDerWaalsContact O-CB 3.24Å; Q714-L718 WeakPolarHBondContact O-CB 3.38Å; Q714-L718 VanDerWaalsContact O-CD1 3.3Å; Q714-L718 WeakPolarHBondContact O-CD1 3.33Å; Q714-L718 WeakPolarHBondContact O-CG 3.27Å; Q714-L718 PolarHBondContact O-N 2.98Å; Q714-L740 HydrophobicContact CG-CB 4.3Å; Q714-L740 PolarHBondContact NE2-O 3.44Å; Q714-L742 HydrophobicContact CB-CD1 4.46Å; Q714-L742 HydrophobicContact CG-CD1 4.34Å |
| 715 | I | 98 | Very high | 94.9 | Very high | 65 Ų | 65 | 96.6 Ų | 96.6 | 33% | 0.333 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 178.4 | -65 | 166.9 | 0 | 0 | 0 | 111.5 | T711 R712 Q713 L718 E719 | T711-I715 WeakPolarHBondContact O-CG1 3.34Å; T711-I715 PolarHBondContact O-N 3.11Å; R712-I715 PolarHBondContact O-N 2.9Å; Q713-I715 VanDerWaalsContact C-N 3.29Å; Q713-I715 PolarHBondContact O-N 3.45Å; I715-L718 PolarHBondContact O-N 3Å; I715-E719 HydrophobicContact CG2-CG 4.45Å; I715-E719 PolarHBondContact O-N 3.47Å |
| 716 | L | 97.9 | Very high | 95.9 | Very high | 75 Ų | 75 | 87.5 Ų | 87.5 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | -179.6 | -74 | 170 | 0 | 0 | 0 | 112.2 | R712 Q713 E719 K720 | R712-L716 HydrophobicContact CG-CD1 4.21Å; R712-L716 WeakPolarHBondContact O-CG 3.28Å; R712-L716 PolarHBondContact O-N 3.1Å; Q713-L716 PolarHBondContact O-N 3.44Å; L716-E719 PolarHBondContact O-N 3.27Å; L716-K720 VanDerWaalsContact O-CB 3.28Å; L716-K720 WeakPolarHBondContact O-CB 3.38Å; L716-K720 PolarHBondContact O-N 2.84Å |
| 717 | E | 98.1 | Very high | 96.5 | Very high | 45 Ų | 45 | 88.4 Ų | 88.4 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68 | -37.5 | 177.5 | -69.9 | -64.5 | 133.3 | 0 | 0 | 112 | Q713 K720 E721 L740 | Q713-E717 PolarHBondContact O-N 3.24Å; Q713-E717 VanDerWaalsContact O-N 3.09Å; E717-K720 PolarHBondContact O-N 3.49Å; E717-K720 IonicContact OE1-NZ 3.65Å; E717-K720 PolarHBondContact OE1-NZ 2.85Å; E717-K720 WeakPolarHBondContact OE2-CD 3.32Å; E717-K720 WeakPolarHBondContact OE2-CE 3.27Å; E717-K720 IonicContact OE2-NZ 3.79Å; E717-K720 PolarHBondContact OE2-NZ 3.25Å; E717-E721 WeakPolarHBondContact O-CB 3.4Å; E717-E721 WeakPolarHBondContact O-CG 3.3Å; E717-E721 PolarHBondContact O-N 3.36Å; E717-L740 HydrophobicContact CB-CD1 3.98Å; E717-L740 HydrophobicContact CB-CD2 3.64Å; E717-L740 HydrophobicContact CB-CG 4.42Å; E717-L740 HydrophobicContact CG-CD2 4Å |
| 718 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 173 | -74.8 | 167.1 | 0 | 0 | 0 | 112.7 | Q714 I715 F722 I736 L740 L742 I747 W750 F751 | Q714-L718 VanDerWaalsContact O-CB 3.24Å; Q714-L718 WeakPolarHBondContact O-CB 3.38Å; Q714-L718 VanDerWaalsContact O-CD1 3.3Å; Q714-L718 WeakPolarHBondContact O-CD1 3.33Å; Q714-L718 WeakPolarHBondContact O-CG 3.27Å; Q714-L718 PolarHBondContact O-N 2.98Å; I715-L718 PolarHBondContact O-N 3Å; L718-F722 WeakPolarHBondContact O-CB 3.24Å; L718-F722 PolarHBondContact O-N 3.36Å; L718-I736 HydrophobicContact CD2-CG2 4.21Å; L718-L740 HydrophobicContact CD1-CD1 4.48Å; L718-L740 HydrophobicContact CD2-CD1 4.01Å; L718-L740 HydrophobicContact CG-CD1 3.71Å; L718-L742 HydrophobicContact CD1-CD1 4.1Å; L718-I747 HydrophobicContact CD2-CD1 3.8Å; L718-W750 HydrophobicContact CB-CD2 3.9Å; L718-W750 HydrophobicContact CB-CE3 3.96Å; L718-W750 HydrophobicContact CB-CH2 3.74Å; L718-W750 HydrophobicContact CB-CZ2 3.63Å; L718-W750 HydrophobicContact CB-CZ3 3.89Å; L718-W750 HydrophobicContact CD1-CD2 3.95Å; L718-W750 HydrophobicContact CD1-CG 3.86Å; L718-W750 HydrophobicContact CD2-CD2 4.21Å; L718-W750 HydrophobicContact CD2-CE3 4.08Å; L718-W750 HydrophobicContact CG-CD2 4.25Å; L718-W750 HydrophobicContact CG-CE3 4.44Å; L718-W750 WeakPolarHBondContact O-CH2 3.38Å; L718-W750 VanDerWaalsContact O-CZ3 3.28Å; L718-W750 WeakPolarHBondContact O-CZ3 3.42Å; L718-F751 HydrophobicContact CD2-CD2 4.5Å; L718-F751 HydrophobicContact CD2-CE2 3.99Å |
| 719 | E | 98.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 77.5 Ų | 77.5 | 24% | 0.243 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 175.2 | -70.1 | -156.1 | 129 | 0 | 0 | 111.7 | I715 L716 E721 F722 H723 W750 R754 K757 | I715-E719 HydrophobicContact CG2-CG 4.45Å; I715-E719 PolarHBondContact O-N 3.47Å; L716-E719 PolarHBondContact O-N 3.27Å; E719-E721 PolarHBondContact O-N 3.16Å; E719-F722 CarbonylContact O-C 3.42Å; E719-F722 WeakPolarHBondContact O-CA 3.47Å; E719-F722 WeakPolarHBondContact O-CB 3.42Å; E719-F722 PolarHBondContact O-N 3.31Å; E719-F722 VanDerWaalsContact O-N 3.1Å; E719-H723 PolarHBondContact O-CD2 2.75Å; E719-H723 PolarHBondContact O-N 3.29Å; E719-W750 HydrophobicContact CB-CH2 4.48Å; E719-W750 HydrophobicContact CG-CH2 3.78Å; E719-W750 HydrophobicContact CG-CZ2 3.64Å; E719-R754 IonicContact OE1-CZ 2.78Å; E719-R754 IonicContact OE1-NE 3.82Å; E719-R754 PolarHBondContact OE1-NE 3.4Å; E719-R754 IonicContact OE1-NH2 3.94Å; E719-K757 IonicContact OE1-NZ 3.97Å |
| 720 | K | 98 | Very high | 97.7 | Very high | 116 Ų | 116 | 80.3 Ų | 80.3 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.5 | -49.9 | 171.7 | 171.8 | -176.3 | 166.2 | -159.1 | 0 | 112.2 | L716 E717 F722 H723 Y724 | L716-K720 VanDerWaalsContact O-CB 3.28Å; L716-K720 WeakPolarHBondContact O-CB 3.38Å; L716-K720 PolarHBondContact O-N 2.84Å; E717-K720 PolarHBondContact O-N 3.49Å; E717-K720 IonicContact OE1-NZ 3.65Å; E717-K720 PolarHBondContact OE1-NZ 2.85Å; E717-K720 WeakPolarHBondContact OE2-CD 3.32Å; E717-K720 WeakPolarHBondContact OE2-CE 3.27Å; E717-K720 IonicContact OE2-NZ 3.79Å; E717-K720 PolarHBondContact OE2-NZ 3.25Å; K720-F722 VanDerWaalsContact C-N 3.33Å; K720-F722 PolarHBondContact O-N 2.94Å; K720-H723 PolarHBondContact O-N 2.83Å; K720-H723 VanDerWaalsContact O-N 3.17Å; K720-Y724 PolarHBondContact O-N 2.78Å |
| 721 | E | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 84.7 Ų | 84.7 | 7% | 0.065 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -36.2 | 175.4 | -72.7 | -64.8 | 127.8 | 0 | 0 | 112.6 | E717 E719 Y724 N725 R732 I736 F751 | E717-E721 WeakPolarHBondContact O-CB 3.4Å; E717-E721 WeakPolarHBondContact O-CG 3.3Å; E717-E721 PolarHBondContact O-N 3.36Å; E719-E721 PolarHBondContact O-N 3.16Å; E721-Y724 PolarHBondContact O-N 3.16Å; E721-N725 PolarHBondContact O-N 2.77Å; E721-N725 VanDerWaalsContact O-O 3.11Å; E721-R732 VanDerWaalsContact CD-NH2 3.26Å; E721-R732 IonicContact OE1-CZ 2.7Å; E721-R732 IonicContact OE1-NE 3.59Å; E721-R732 IonicContact OE1-NH2 3Å; E721-R732 PolarHBondContact OE1-NH2 3.13Å; E721-R732 IonicContact OE2-CZ 3.71Å; E721-R732 IonicContact OE2-NE 2.75Å; E721-R732 PolarHBondContact OE2-NE 2.94Å; E721-R732 IonicContact OE2-NH2 3.81Å; E721-R732 PolarHBondContact OE2-NH2 3.1Å; E721-I736 HydrophobicContact CB-CD1 3.98Å; E721-I736 HydrophobicContact CG-CD1 3.67Å; E721-I736 HydrophobicContact CG-CG1 4Å; E721-I736 WeakPolarHBondContact OE2-CD1 3.46Å; E721-F751 HydrophobicContact CB-CZ 3.94Å |
| 722 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 85.5 Ų | 85.5 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 172.9 | -175.2 | -98.1 | 0 | 0 | 0 | 112.8 | L718 E719 K720 N725 K726 W750 F751 R754 R755 W758 | L718-F722 WeakPolarHBondContact O-CB 3.24Å; L718-F722 PolarHBondContact O-N 3.36Å; E719-F722 CarbonylContact O-C 3.42Å; E719-F722 WeakPolarHBondContact O-CA 3.47Å; E719-F722 WeakPolarHBondContact O-CB 3.42Å; E719-F722 PolarHBondContact O-N 3.31Å; E719-F722 VanDerWaalsContact O-N 3.1Å; K720-F722 VanDerWaalsContact C-N 3.33Å; K720-F722 PolarHBondContact O-N 2.94Å; F722-N725 CarbonylContact O-C 3.54Å; F722-K726 HydrophobicContact CD1-CD 4.08Å; F722-K726 HydrophobicContact CD2-CD 4.4Å; F722-K726 HydrophobicContact CE1-CD 3.59Å; F722-K726 HydrophobicContact CE2-CB 4.29Å; F722-K726 HydrophobicContact CE2-CD 3.94Å; F722-K726 HydrophobicContact CG-CD 4.45Å; F722-K726 HydrophobicContact CZ-CD 3.51Å; F722-K726 WeakPolarHBondContact O-CD 3.4Å; F722-K726 WeakPolarHBondContact O-CE 3.46Å; F722-K726 PolarHBondContact O-NZ 2.78Å; F722-W750 HydrophobicContact CB-CH2 4.04Å; F722-W750 HydrophobicContact CB-CZ3 3.94Å; F722-W750 HydrophobicContact CD2-CZ3 4.44Å; F722-W750 HydrophobicContact CG-CZ3 4.41Å; F722-F751 HydrophobicContact CB-CE1 4.07Å; F722-F751 HydrophobicContact CB-CZ 4.23Å; F722-F751 AromaticContact CD2-CD1 3.91Å; F722-F751 HydrophobicContact CD2-CD1 3.91Å; F722-F751 AromaticContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CG-CE1 4.49Å; F722-R754 HydrophobicContact CB-CG 4.25Å; F722-R754 HydrophobicContact CD1-CG 3.5Å; F722-R754 HydrophobicContact CD2-CB 4Å; F722-R754 HydrophobicContact CD2-CG 3.62Å; F722-R754 HydrophobicContact CE1-CG 3.65Å; F722-R754 HydrophobicContact CE2-CB 4.05Å; F722-R754 HydrophobicContact CE2-CG 3.76Å; F722-R754 HydrophobicContact CG-CB 4.34Å; F722-R754 HydrophobicContact CG-CG 3.49Å; F722-R754 VanDerWaalsContact CG-CG 3.49Å; F722-R754 HydrophobicContact CZ-CB 4.42Å; F722-R754 HydrophobicContact CZ-CG 3.78Å; F722-R755 HydrophobicContact CE2-CG 3.69Å; F722-R755 HydrophobicContact CZ-CG 4.23Å; F722-W758 HydrophobicContact CE1-CB 4.01Å; F722-W758 HydrophobicContact CE1-CG 4.04Å; F722-W758 HydrophobicContact CZ-CB 3.79Å; F722-W758 AromaticContact CZ-CG 3.98Å; F722-W758 HydrophobicContact CZ-CG 3.98Å |
| 723 | H | 96.9 | Very high | 97.8 | Very high | 125 Ų | 125 | 78.5 Ų | 78.5 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 175.2 | -83.4 | -77.2 | 0 | 0 | 0 | 110.7 | E719 K720 K726 | E719-H723 PolarHBondContact O-CD2 2.75Å; E719-H723 PolarHBondContact O-N 3.29Å; K720-H723 PolarHBondContact O-N 2.83Å; K720-H723 VanDerWaalsContact O-N 3.17Å; H723-K726 PolarHBondContact O-NZ 3.17Å |
| 724 | Y | 97.2 | Very high | 97.8 | Very high | 196 Ų | 196 | 76 Ų | 76 | 77% | 0.769 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -55.4 | 171.4 | -178.4 | -108.1 | 0 | 0 | 0 | 112.7 | K720 E721 | K720-Y724 PolarHBondContact O-N 2.78Å; E721-Y724 PolarHBondContact O-N 3.16Å |
| 725 | N | 97 | Very high | 97.8 | Very high | 60 Ų | 60 | 78 Ų | 78 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | | | trans | -140.5 | 124.8 | -178.7 | -175 | -9.6 | 0 | 0 | 0 | 112.5 | E721 F722 Y727 F751 | E721-N725 PolarHBondContact O-N 2.77Å; E721-N725 VanDerWaalsContact O-O 3.11Å; F722-N725 CarbonylContact O-C 3.54Å; N725-Y727 PolarHBondContact ND2-O 3Å; N725-Y727 VanDerWaalsContact ND2-O 3.11Å; N725-Y727 PolarHBondContact O-N 3.1Å; N725-Y727 PolarHBondContact OD1-N 3.43Å; N725-Y727 PolarHBondContact OD1-O 2.85Å; N725-Y727 VanDerWaalsContact OD1-O 3.14Å; N725-F751 WeakPolarHBondContact O-CE1 3.31Å |
| 726 | K | 97.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -71.5 | -13.7 | -179.8 | -48.5 | -65.9 | 162.1 | -67.7 | 0 | 113.2 | F722 H723 R755 | F722-K726 HydrophobicContact CD1-CD 4.08Å; F722-K726 HydrophobicContact CD2-CD 4.4Å; F722-K726 HydrophobicContact CE1-CD 3.59Å; F722-K726 HydrophobicContact CE2-CB 4.29Å; F722-K726 HydrophobicContact CE2-CD 3.94Å; F722-K726 HydrophobicContact CG-CD 4.45Å; F722-K726 HydrophobicContact CZ-CD 3.51Å; F722-K726 WeakPolarHBondContact O-CD 3.4Å; F722-K726 WeakPolarHBondContact O-CE 3.46Å; F722-K726 PolarHBondContact O-NZ 2.78Å; H723-K726 PolarHBondContact O-NZ 3.17Å; K726-R755 WeakPolarHBondContact O-CD 3.34Å; K726-R755 PolarHBondContact O-NH1 3.27Å |
| 727 | Y | 98 | Very high | 97.8 | Very high | 153 Ų | 153 | 72.2 Ų | 72.2 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -140.8 | 104 | -174.8 | -63.9 | -89.8 | 0 | 0 | 0 | 112.7 | N725 R755 | N725-Y727 PolarHBondContact ND2-O 3Å; N725-Y727 VanDerWaalsContact ND2-O 3.11Å; N725-Y727 PolarHBondContact O-N 3.1Å; N725-Y727 PolarHBondContact OD1-N 3.43Å; N725-Y727 PolarHBondContact OD1-O 2.85Å; N725-Y727 VanDerWaalsContact OD1-O 3.14Å; Y727-R755 VanDerWaalsContact CZ-CD 3.46Å |
| 728 | L | 97.5 | Very high | 97.8 | Very high | 24 Ų | 24 | 77 Ų | 77 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | | | trans | -70.9 | 131.8 | 179.5 | -61.5 | 179.5 | 0 | 0 | 0 | 114.4 | R732 R733 I736 I747 F751 | L728-R732 HydrophobicContact CD2-CB 4.46Å; L728-R732 HydrophobicContact CD2-CG 3.95Å; L728-R733 HydrophobicContact CB-CB 4.36Å; L728-R733 HydrophobicContact CD1-CB 4.33Å; L728-R733 HydrophobicContact CD1-CG 4.24Å; L728-I736 HydrophobicContact CD1-CD1 3.68Å; L728-I736 HydrophobicContact CD2-CD1 3.6Å; L728-I736 HydrophobicContact CG-CD1 4.29Å; L728-I747 HydrophobicContact CD1-CG2 3.41Å; L728-I747 VanDerWaalsContact CD1-CG2 3.41Å; L728-F751 HydrophobicContact CD1-CD1 4.29Å; L728-F751 HydrophobicContact CD1-CD2 3.6Å; L728-F751 HydrophobicContact CD1-CE1 4.13Å; L728-F751 HydrophobicContact CD1-CE2 3.46Å; L728-F751 VanDerWaalsContact CD1-CE2 3.46Å; L728-F751 HydrophobicContact CD1-CG 4.05Å; L728-F751 HydrophobicContact CD1-CZ 3.74Å; L728-F751 HydrophobicContact CD2-CE1 3.91Å; L728-F751 HydrophobicContact CD2-CE2 4.37Å; L728-F751 HydrophobicContact CD2-CZ 3.78Å; L728-F751 HydrophobicContact CG-CD1 3.91Å; L728-F751 HydrophobicContact CG-CD2 4.15Å; L728-F751 HydrophobicContact CG-CE1 3.67Å; L728-F751 HydrophobicContact CG-CE2 3.96Å; L728-F751 HydrophobicContact CG-CG 4.15Å; L728-F751 HydrophobicContact CG-CZ 3.71Å |
| 729 | T | 97.6 | Very high | 97.8 | Very high | 83 Ų | 83 | 82.2 Ų | 82.2 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | | | trans | -65.3 | 169.9 | 164 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | R732 R733 | T729-R732 PolarHBondContact OG1-N 3.47Å; T729-R733 WeakPolarHBondContact O-CB 3.32Å; T729-R733 PolarHBondContact O-N 2.91Å; T729-R733 VanDerWaalsContact O-N 3.14Å |
| 730 | R | 97.5 | Very high | 97.7 | Very high | 154 Ų | 154 | 80.4 Ų | 80.4 | 58% | 0.581 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.1 | -49.1 | 176.1 | 179.9 | 161.6 | 173.4 | 64.5 | -8.6 | 111.7 | R733 L734 E744 | R730-R733 PolarHBondContact O-N 3.43Å; R730-L734 HydrophobicContact CG-CD1 4.22Å; R730-L734 PolarHBondContact O-N 3.36Å; R730-L734 VanDerWaalsContact O-N 3.14Å; R730-E744 IonicContact CZ-OE1 2.95Å; R730-E744 VanDerWaalsContact NH1-CD 3.29Å; R730-E744 IonicContact NH1-OE1 3.7Å; R730-E744 PolarHBondContact NH1-OE1 2.87Å; R730-E744 IonicContact NH1-OE2 3.16Å; R730-E744 PolarHBondContact NH1-OE2 3.06Å |
| 731 | K | 97.8 | Very high | 97.7 | Very high | 152 Ų | 152 | 80.9 Ų | 80.9 | 66% | 0.661 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56 | -53.8 | 178.3 | 179 | 171.6 | 175.8 | 175.8 | 0 | 111.8 | R733 L734 E735 | K731-R733 VanDerWaalsContact C-N 3.27Å; K731-R733 PolarHBondContact O-N 2.89Å; K731-L734 WeakPolarHBondContact O-CB 3.37Å; K731-L734 PolarHBondContact O-N 3.39Å; K731-L734 VanDerWaalsContact O-N 3.08Å; K731-E735 WeakPolarHBondContact CE-OE1 3.21Å; K731-E735 VanDerWaalsContact CG-OE1 3.24Å; K731-E735 WeakPolarHBondContact CG-OE1 3.28Å; K731-E735 PolarHBondContact O-N 3.44Å; K731-E735 VanDerWaalsContact O-N 3.09Å |
| 732 | R | 97.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.6 | -29.9 | -179.1 | -169.3 | 54.8 | 176 | 176.6 | 0.8 | 113.1 | E721 L728 T729 E735 I736 | E721-R732 VanDerWaalsContact CD-NH2 3.26Å; E721-R732 IonicContact OE1-CZ 2.7Å; E721-R732 IonicContact OE1-NE 3.59Å; E721-R732 IonicContact OE1-NH2 3Å; E721-R732 PolarHBondContact OE1-NH2 3.13Å; E721-R732 IonicContact OE2-CZ 3.71Å; E721-R732 IonicContact OE2-NE 2.75Å; E721-R732 PolarHBondContact OE2-NE 2.94Å; E721-R732 IonicContact OE2-NH2 3.81Å; E721-R732 PolarHBondContact OE2-NH2 3.1Å; L728-R732 HydrophobicContact CD2-CB 4.46Å; L728-R732 HydrophobicContact CD2-CG 3.95Å; T729-R732 PolarHBondContact OG1-N 3.47Å; R732-E735 WeakPolarHBondContact CD-OE2 3.1Å; R732-E735 IonicContact CZ-OE2 3.52Å; R732-E735 IonicContact NE-OE2 2.72Å; R732-E735 IonicContact NH1-OE2 2.68Å; R732-E735 PolarHBondContact NH1-OE2 3.14Å; R732-I736 HydrophobicContact CG-CD1 3.89Å; R732-I736 HydrophobicContact CG-CG1 4.38Å; R732-I736 WeakPolarHBondContact O-CD1 3.4Å; R732-I736 VanDerWaalsContact O-CG1 3.23Å; R732-I736 WeakPolarHBondContact O-CG1 3.3Å; R732-I736 PolarHBondContact O-N 3.18Å; R732-I736 VanDerWaalsContact O-N 3.1Å |
| 733 | R | 98.2 | Very high | 97.6 | Very high | 51 Ų | 51 | 83.5 Ų | 83.5 | 19% | 0.192 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 174.3 | -162 | -169.9 | -45.2 | 127 | 6.7 | 112.7 | L728 T729 R730 K731 A737 E744 I747 | L728-R733 HydrophobicContact CB-CB 4.36Å; L728-R733 HydrophobicContact CD1-CB 4.33Å; L728-R733 HydrophobicContact CD1-CG 4.24Å; T729-R733 WeakPolarHBondContact O-CB 3.32Å; T729-R733 PolarHBondContact O-N 2.91Å; T729-R733 VanDerWaalsContact O-N 3.14Å; R730-R733 PolarHBondContact O-N 3.43Å; K731-R733 VanDerWaalsContact C-N 3.27Å; K731-R733 PolarHBondContact O-N 2.89Å; R733-A737 WeakPolarHBondContact O-CB 3.44Å; R733-A737 PolarHBondContact O-N 3.25Å; R733-E744 WeakPolarHBondContact CD-OE2 3.37Å; R733-E744 HydrophobicContact CG-CG 4.29Å; R733-E744 IonicContact CZ-OE2 2.63Å; R733-E744 IonicContact NE-OE2 2.9Å; R733-E744 IonicContact NH1-OE2 3.59Å; R733-E744 PolarHBondContact NH1-OE2 2.88Å; R733-I747 HydrophobicContact CG-CB 4.02Å; R733-I747 HydrophobicContact CG-CG2 3.72Å |
| 734 | L | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 80.1 Ų | 80.1 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.8 | -49 | 174.8 | -70.3 | 163.6 | 0 | 0 | 0 | 110.4 | R730 K731 I736 A737 H738 E744 | R730-L734 HydrophobicContact CG-CD1 4.22Å; R730-L734 PolarHBondContact O-N 3.36Å; R730-L734 VanDerWaalsContact O-N 3.14Å; K731-L734 WeakPolarHBondContact O-CB 3.37Å; K731-L734 PolarHBondContact O-N 3.39Å; K731-L734 VanDerWaalsContact O-N 3.08Å; L734-I736 PolarHBondContact O-N 2.98Å; L734-A737 WeakPolarHBondContact O-CB 3.36Å; L734-A737 PolarHBondContact O-N 2.97Å; L734-A737 VanDerWaalsContact O-N 3.09Å; L734-H738 PolarHBondContact O-CD2 3.28Å; L734-H738 PolarHBondContact O-N 2.94Å; L734-E744 HydrophobicContact CD2-CG 3.84Å; L734-E744 HydrophobicContact CG-CG 4.47Å |
| 735 | E | 98.2 | Very high | 97.7 | Very high | 66 Ų | 66 | 79.4 Ų | 79.4 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -51.9 | -54.7 | 176.7 | -67.8 | 165.7 | -170.9 | 0 | 0 | 111.9 | K731 R732 A737 H738 T739 | K731-E735 WeakPolarHBondContact CE-OE1 3.21Å; K731-E735 VanDerWaalsContact CG-OE1 3.24Å; K731-E735 WeakPolarHBondContact CG-OE1 3.28Å; K731-E735 PolarHBondContact O-N 3.44Å; K731-E735 VanDerWaalsContact O-N 3.09Å; R732-E735 WeakPolarHBondContact CD-OE2 3.1Å; R732-E735 IonicContact CZ-OE2 3.52Å; R732-E735 IonicContact NE-OE2 2.72Å; R732-E735 IonicContact NH1-OE2 2.68Å; R732-E735 PolarHBondContact NH1-OE2 3.14Å; E735-A737 VanDerWaalsContact C-N 3.3Å; E735-A737 PolarHBondContact O-N 2.83Å; E735-H738 PolarHBondContact O-N 2.99Å; E735-T739 PolarHBondContact O-N 3.39Å; E735-T739 PolarHBondContact O-OG1 2.98Å; E735-T739 VanDerWaalsContact O-OG1 3.07Å |
| 736 | I | 97.9 | Very high | 97.7 | Very high | 8 Ų | 8 | 79.2 Ų | 79.2 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 179 | -59 | 162.2 | 0 | 0 | 0 | 111.6 | L718 E721 L728 R732 L734 L740 I747 | L718-I736 HydrophobicContact CD2-CG2 4.21Å; E721-I736 HydrophobicContact CB-CD1 3.98Å; E721-I736 HydrophobicContact CG-CD1 3.67Å; E721-I736 HydrophobicContact CG-CG1 4Å; E721-I736 WeakPolarHBondContact OE2-CD1 3.46Å; L728-I736 HydrophobicContact CD1-CD1 3.68Å; L728-I736 HydrophobicContact CD2-CD1 3.6Å; L728-I736 HydrophobicContact CG-CD1 4.29Å; R732-I736 HydrophobicContact CG-CD1 3.89Å; R732-I736 HydrophobicContact CG-CG1 4.38Å; R732-I736 WeakPolarHBondContact O-CD1 3.4Å; R732-I736 VanDerWaalsContact O-CG1 3.23Å; R732-I736 WeakPolarHBondContact O-CG1 3.3Å; R732-I736 PolarHBondContact O-N 3.18Å; R732-I736 VanDerWaalsContact O-N 3.1Å; L734-I736 PolarHBondContact O-N 2.98Å; I736-L740 HydrophobicContact CG2-CD1 3.54Å; I736-L740 HydrophobicContact CG2-CG 3.98Å; I736-L740 VanDerWaalsContact O-CB 3.31Å; I736-L740 WeakPolarHBondContact O-CB 3.48Å; I736-L740 WeakPolarHBondContact O-CG 3.24Å; I736-L740 PolarHBondContact O-N 3.43Å; I736-I747 HydrophobicContact CG2-CD1 3.81Å |
| 737 | A | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 76.7 Ų | 76.7 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R733 L734 E735 T741 L742 I747 | R733-A737 WeakPolarHBondContact O-CB 3.44Å; R733-A737 PolarHBondContact O-N 3.25Å; L734-A737 WeakPolarHBondContact O-CB 3.36Å; L734-A737 PolarHBondContact O-N 2.97Å; L734-A737 VanDerWaalsContact O-N 3.09Å; E735-A737 VanDerWaalsContact C-N 3.3Å; E735-A737 PolarHBondContact O-N 2.83Å; A737-T741 PolarHBondContact O-N 3.09Å; A737-L742 CarbonylContact C-O 3.6Å; A737-L742 WeakPolarHBondContact CA-O 3.33Å; A737-L742 WeakPolarHBondContact CB-O 3.42Å; A737-L742 PolarHBondContact O-N 2.91Å; A737-L742 VanDerWaalsContact O-O 3.08Å; A737-I747 HydrophobicContact CB-CG1 4.12Å |
| 738 | H | 97.7 | Very high | 97.8 | Very high | 145 Ų | 145 | 75.5 Ų | 75.5 | 67% | 0.671 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.7 | -52.9 | 174.7 | -70.5 | -74.1 | 0 | 0 | 0 | 111.7 | L734 E735 L740 T741 | L734-H738 PolarHBondContact O-CD2 3.28Å; L734-H738 PolarHBondContact O-N 2.94Å; E735-H738 PolarHBondContact O-N 2.99Å; H738-L740 VanDerWaalsContact C-N 3.26Å; H738-L740 PolarHBondContact O-N 3.29Å; H738-T741 PolarHBondContact O-N 2.91Å |
| 739 | T | 97.5 | Very high | 97.8 | Very high | 110 Ų | 110 | 77.2 Ų | 77.2 | 68% | 0.675 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.6 | -33.3 | -176.9 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | E735 | E735-T739 PolarHBondContact O-N 3.39Å; E735-T739 PolarHBondContact O-OG1 2.98Å; E735-T739 VanDerWaalsContact O-OG1 3.07Å |
| 740 | L | 97.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 3.1 | -176.7 | -57.9 | -170.8 | 0 | 0 | 0 | 114.4 | Q714 E717 L718 I736 H738 L742 | Q714-L740 HydrophobicContact CG-CB 4.3Å; Q714-L740 PolarHBondContact NE2-O 3.44Å; E717-L740 HydrophobicContact CB-CD1 3.98Å; E717-L740 HydrophobicContact CB-CD2 3.64Å; E717-L740 HydrophobicContact CB-CG 4.42Å; E717-L740 HydrophobicContact CG-CD2 4Å; L718-L740 HydrophobicContact CD1-CD1 4.48Å; L718-L740 HydrophobicContact CD2-CD1 4.01Å; L718-L740 HydrophobicContact CG-CD1 3.71Å; I736-L740 HydrophobicContact CG2-CD1 3.54Å; I736-L740 HydrophobicContact CG2-CG 3.98Å; I736-L740 VanDerWaalsContact O-CB 3.31Å; I736-L740 WeakPolarHBondContact O-CB 3.48Å; I736-L740 WeakPolarHBondContact O-CG 3.24Å; I736-L740 PolarHBondContact O-N 3.43Å; H738-L740 VanDerWaalsContact C-N 3.26Å; H738-L740 PolarHBondContact O-N 3.29Å; L740-L742 VanDerWaalsContact C-N 3.29Å; L740-L742 HydrophobicContact CB-CD1 4.29Å; L740-L742 HydrophobicContact CB-CG 4.34Å; L740-L742 PolarHBondContact O-N 3Å |
| 741 | T | 97.7 | Very high | 97.8 | Very high | 125 Ų | 125 | 67.5 Ų | 67.5 | 77% | 0.767 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.9 | -173.8 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | A737 H738 | A737-T741 PolarHBondContact O-N 3.09Å; H738-T741 PolarHBondContact O-N 2.91Å |
| 742 | L | 97.2 | Very high | 97.8 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | | | trans | -126.2 | 140.5 | 179.5 | -67.8 | 178.5 | 0 | 0 | 0 | 110.8 | Y710 Q714 L718 A737 L740 Q746 I747 | Y710-L742 HydrophobicContact CD1-CD1 3.72Å; Y710-L742 HydrophobicContact CD1-CD2 3.88Å; Y710-L742 HydrophobicContact CD1-CG 4.48Å; Y710-L742 HydrophobicContact CE1-CD1 3.73Å; Y710-L742 HydrophobicContact CE1-CD2 3.8Å; Y710-L742 HydrophobicContact CE1-CG 4.42Å; Q714-L742 HydrophobicContact CB-CD1 4.46Å; Q714-L742 HydrophobicContact CG-CD1 4.34Å; L718-L742 HydrophobicContact CD1-CD1 4.1Å; A737-L742 CarbonylContact C-O 3.6Å; A737-L742 WeakPolarHBondContact CA-O 3.33Å; A737-L742 WeakPolarHBondContact CB-O 3.42Å; A737-L742 PolarHBondContact O-N 2.91Å; A737-L742 VanDerWaalsContact O-O 3.08Å; L740-L742 VanDerWaalsContact C-N 3.29Å; L740-L742 HydrophobicContact CB-CD1 4.29Å; L740-L742 HydrophobicContact CB-CG 4.34Å; L740-L742 PolarHBondContact O-N 3Å; L742-Q746 HydrophobicContact CB-CB 4.3Å; L742-I747 HydrophobicContact CB-CD1 3.81Å; L742-I747 HydrophobicContact CB-CG1 4.36Å; L742-I747 HydrophobicContact CD1-CD1 3.97Å |
| 743 | S | 97.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | | | trans | -61.9 | 149.9 | 176 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | R745 Q746 I747 | S743-R745 PolarHBondContact O-N 3.43Å; S743-Q746 WeakPolarHBondContact O-CB 3.46Å; S743-Q746 PolarHBondContact O-N 2.89Å; S743-Q746 WeakPolarHBondContact OG-CG 3.28Å; S743-Q746 PolarHBondContact OG-N 3.18Å; S743-Q746 PolarHBondContact OG-OE1 2.96Å; S743-I747 PolarHBondContact O-N 2.68Å |
| 744 | E | 98.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -46.1 | -35.5 | 169.8 | -88.9 | -156.4 | -94.4 | 0 | 0 | 112.1 | R730 R733 L734 K748 | R730-E744 IonicContact CZ-OE1 2.95Å; R730-E744 VanDerWaalsContact NH1-CD 3.29Å; R730-E744 IonicContact NH1-OE1 3.7Å; R730-E744 PolarHBondContact NH1-OE1 2.87Å; R730-E744 IonicContact NH1-OE2 3.16Å; R730-E744 PolarHBondContact NH1-OE2 3.06Å; R733-E744 WeakPolarHBondContact CD-OE2 3.37Å; R733-E744 HydrophobicContact CG-CG 4.29Å; R733-E744 IonicContact CZ-OE2 2.63Å; R733-E744 IonicContact NE-OE2 2.9Å; R733-E744 IonicContact NH1-OE2 3.59Å; R733-E744 PolarHBondContact NH1-OE2 2.88Å; L734-E744 HydrophobicContact CD2-CG 3.84Å; L734-E744 HydrophobicContact CG-CG 4.47Å; E744-K748 WeakPolarHBondContact O-CB 3.19Å; E744-K748 PolarHBondContact O-N 3.14Å |
| 745 | R | 97.4 | Very high | 97.8 | Very high | 182 Ų | 182 | 64.7 Ų | 64.7 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.4 | -43.4 | 178.6 | -171.1 | 177.6 | -176.4 | -82.5 | 2.8 | 112.4 | S743 I749 | S743-R745 PolarHBondContact O-N 3.43Å; R745-I749 HydrophobicContact CG-CD1 4.01Å; R745-I749 WeakPolarHBondContact O-CB 3.46Å; R745-I749 WeakPolarHBondContact O-CD1 3.49Å; R745-I749 VanDerWaalsContact O-CG1 3.24Å; R745-I749 WeakPolarHBondContact O-CG1 3.48Å; R745-I749 PolarHBondContact O-N 2.85Å |
| 746 | Q | 97.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 66.1 Ų | 66.1 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.5 | -78.2 | 156.9 | -63.6 | 0 | 0 | 110.9 | Y710 L742 S743 K748 I749 W750 | Y710-Q746 HydrophobicContact CE1-CB 4.36Å; L742-Q746 HydrophobicContact CB-CB 4.3Å; S743-Q746 WeakPolarHBondContact O-CB 3.46Å; S743-Q746 PolarHBondContact O-N 2.89Å; S743-Q746 WeakPolarHBondContact OG-CG 3.28Å; S743-Q746 PolarHBondContact OG-N 3.18Å; S743-Q746 PolarHBondContact OG-OE1 2.96Å; Q746-K748 PolarHBondContact O-N 3.11Å; Q746-I749 PolarHBondContact O-N 3.26Å; Q746-W750 WeakPolarHBondContact O-CB 3.44Å; Q746-W750 PolarHBondContact O-N 2.78Å |
| 747 | I | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.6 | -49.4 | 175.9 | -55 | -59.3 | 0 | 0 | 0 | 110.8 | L718 L728 R733 I736 A737 L742 S743 I749 W750 F751 | L718-I747 HydrophobicContact CD2-CD1 3.8Å; L728-I747 HydrophobicContact CD1-CG2 3.41Å; L728-I747 VanDerWaalsContact CD1-CG2 3.41Å; R733-I747 HydrophobicContact CG-CB 4.02Å; R733-I747 HydrophobicContact CG-CG2 3.72Å; I736-I747 HydrophobicContact CG2-CD1 3.81Å; A737-I747 HydrophobicContact CB-CG1 4.12Å; L742-I747 HydrophobicContact CB-CD1 3.81Å; L742-I747 HydrophobicContact CB-CG1 4.36Å; L742-I747 HydrophobicContact CD1-CD1 3.97Å; S743-I747 PolarHBondContact O-N 2.68Å; I747-I749 PolarHBondContact O-N 2.83Å; I747-W750 PolarHBondContact O-N 3.35Å; I747-F751 HydrophobicContact CG2-CD2 4.02Å; I747-F751 HydrophobicContact CG2-CE2 4.28Å; I747-F751 WeakPolarHBondContact O-CD2 3.48Å; I747-F751 PolarHBondContact O-N 2.72Å |
| 748 | K | 97.8 | Very high | 97.6 | Very high | 128 Ų | 128 | 74.2 Ų | 74.2 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.7 | -44.5 | 178.8 | -176.4 | 177.5 | -179.8 | 179 | 0 | 112.5 | E744 Q746 Q752 | E744-K748 WeakPolarHBondContact O-CB 3.19Å; E744-K748 PolarHBondContact O-N 3.14Å; Q746-K748 PolarHBondContact O-N 3.11Å; K748-Q752 WeakPolarHBondContact O-CB 3.5Å; K748-Q752 PolarHBondContact O-N 2.68Å; K748-Q752 VanDerWaalsContact O-N 3.1Å |
| 749 | I | 97.5 | Very high | 97.4 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 177.9 | -71 | 167.9 | 0 | 0 | 0 | 111 | R745 Q746 I747 Q752 N753 | R745-I749 HydrophobicContact CG-CD1 4.01Å; R745-I749 WeakPolarHBondContact O-CB 3.46Å; R745-I749 WeakPolarHBondContact O-CD1 3.49Å; R745-I749 VanDerWaalsContact O-CG1 3.24Å; R745-I749 WeakPolarHBondContact O-CG1 3.48Å; R745-I749 PolarHBondContact O-N 2.85Å; Q746-I749 PolarHBondContact O-N 3.26Å; I747-I749 PolarHBondContact O-N 2.83Å; I749-Q752 PolarHBondContact O-N 3.19Å; I749-N753 VanDerWaalsContact O-CG 3.31Å; I749-N753 PolarHBondContact O-N 2.89Å; I749-N753 PolarHBondContact O-ND2 3.01Å |
| 750 | W | 98.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 74 Ų | 74 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 177.9 | -173.5 | 104.4 | 0 | 0 | 0 | 110.9 | Y710 L718 E719 F722 Q746 I747 Q752 N753 R754 | Y710-W750 AromaticContact CD2-CD1 3.95Å; Y710-W750 AromaticContact CE2-CD1 3.71Å; L718-W750 HydrophobicContact CB-CD2 3.9Å; L718-W750 HydrophobicContact CB-CE3 3.96Å; L718-W750 HydrophobicContact CB-CH2 3.74Å; L718-W750 HydrophobicContact CB-CZ2 3.63Å; L718-W750 HydrophobicContact CB-CZ3 3.89Å; L718-W750 HydrophobicContact CD1-CD2 3.95Å; L718-W750 HydrophobicContact CD1-CG 3.86Å; L718-W750 HydrophobicContact CD2-CD2 4.21Å; L718-W750 HydrophobicContact CD2-CE3 4.08Å; L718-W750 HydrophobicContact CG-CD2 4.25Å; L718-W750 HydrophobicContact CG-CE3 4.44Å; L718-W750 WeakPolarHBondContact O-CH2 3.38Å; L718-W750 VanDerWaalsContact O-CZ3 3.28Å; L718-W750 WeakPolarHBondContact O-CZ3 3.42Å; E719-W750 HydrophobicContact CB-CH2 4.48Å; E719-W750 HydrophobicContact CG-CH2 3.78Å; E719-W750 HydrophobicContact CG-CZ2 3.64Å; F722-W750 HydrophobicContact CB-CH2 4.04Å; F722-W750 HydrophobicContact CB-CZ3 3.94Å; F722-W750 HydrophobicContact CD2-CZ3 4.44Å; F722-W750 HydrophobicContact CG-CZ3 4.41Å; Q746-W750 WeakPolarHBondContact O-CB 3.44Å; Q746-W750 PolarHBondContact O-N 2.78Å; I747-W750 PolarHBondContact O-N 3.35Å; W750-Q752 VanDerWaalsContact C-N 3.32Å; W750-Q752 PolarHBondContact O-N 2.88Å; W750-N753 CarbonylContact O-C 3.47Å; W750-N753 PolarHBondContact O-N 3.35Å; W750-N753 VanDerWaalsContact O-N 3.13Å; W750-R754 HydrophobicContact CD2-CB 4.49Å; W750-R754 HydrophobicContact CE3-CB 4.02Å; W750-R754 HydrophobicContact CH2-CB 3.69Å; W750-R754 HydrophobicContact CH2-CG 3.55Å; W750-R754 HydrophobicContact CZ2-CB 4.21Å; W750-R754 HydrophobicContact CZ2-CG 4.22Å; W750-R754 HydrophobicContact CZ3-CB 3.6Å; W750-R754 HydrophobicContact CZ3-CG 3.86Å; W750-R754 PolarHBondContact O-N 2.95Å |
| 751 | F | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.3 | -94 | -98.8 | 0 | 0 | 0 | 112.8 | L718 E721 F722 N725 L728 I747 R755 | L718-F751 HydrophobicContact CD2-CD2 4.5Å; L718-F751 HydrophobicContact CD2-CE2 3.99Å; E721-F751 HydrophobicContact CB-CZ 3.94Å; F722-F751 HydrophobicContact CB-CE1 4.07Å; F722-F751 HydrophobicContact CB-CZ 4.23Å; F722-F751 AromaticContact CD2-CD1 3.91Å; F722-F751 HydrophobicContact CD2-CD1 3.91Å; F722-F751 AromaticContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CG-CE1 4.49Å; N725-F751 WeakPolarHBondContact O-CE1 3.31Å; L728-F751 HydrophobicContact CD1-CD1 4.29Å; L728-F751 HydrophobicContact CD1-CD2 3.6Å; L728-F751 HydrophobicContact CD1-CE1 4.13Å; L728-F751 HydrophobicContact CD1-CE2 3.46Å; L728-F751 VanDerWaalsContact CD1-CE2 3.46Å; L728-F751 HydrophobicContact CD1-CG 4.05Å; L728-F751 HydrophobicContact CD1-CZ 3.74Å; L728-F751 HydrophobicContact CD2-CE1 3.91Å; L728-F751 HydrophobicContact CD2-CE2 4.37Å; L728-F751 HydrophobicContact CD2-CZ 3.78Å; L728-F751 HydrophobicContact CG-CD1 3.91Å; L728-F751 HydrophobicContact CG-CD2 4.15Å; L728-F751 HydrophobicContact CG-CE1 3.67Å; L728-F751 HydrophobicContact CG-CE2 3.96Å; L728-F751 HydrophobicContact CG-CG 4.15Å; L728-F751 HydrophobicContact CG-CZ 3.71Å; I747-F751 HydrophobicContact CG2-CD2 4.02Å; I747-F751 HydrophobicContact CG2-CE2 4.28Å; I747-F751 WeakPolarHBondContact O-CD2 3.48Å; I747-F751 PolarHBondContact O-N 2.72Å; F751-R755 WeakPolarHBondContact O-CG 3.36Å; F751-R755 PolarHBondContact O-N 2.99Å |
| 752 | Q | 97.8 | Very high | 96.4 | Very high | 111 Ų | 111 | 76.6 Ų | 76.6 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 172.7 | -175.1 | 174.2 | 5.9 | 0 | 0 | 111.5 | K748 I749 W750 M756 | K748-Q752 WeakPolarHBondContact O-CB 3.5Å; K748-Q752 PolarHBondContact O-N 2.68Å; K748-Q752 VanDerWaalsContact O-N 3.1Å; I749-Q752 PolarHBondContact O-N 3.19Å; W750-Q752 VanDerWaalsContact C-N 3.32Å; W750-Q752 PolarHBondContact O-N 2.88Å; Q752-M756 WeakPolarHBondContact O-CG 3.17Å; Q752-M756 PolarHBondContact O-N 3.3Å; Q752-M756 VanDerWaalsContact O-N 3.09Å |
| 753 | N | 97.9 | Very high | 95.4 | Very high | 100 Ų | 100 | 81.6 Ų | 81.6 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 176.7 | -70.1 | -26.8 | 0 | 0 | 0 | 112.1 | I749 W750 M756 K757 | I749-N753 VanDerWaalsContact O-CG 3.31Å; I749-N753 PolarHBondContact O-N 2.89Å; I749-N753 PolarHBondContact O-ND2 3.01Å; W750-N753 CarbonylContact O-C 3.47Å; W750-N753 PolarHBondContact O-N 3.35Å; W750-N753 VanDerWaalsContact O-N 3.13Å; N753-M756 PolarHBondContact O-N 2.72Å; N753-M756 VanDerWaalsContact O-N 3.16Å; N753-K757 PolarHBondContact O-N 3.27Å |
| 754 | R | 98.2 | Very high | 93.8 | Very high | 25 Ų | 25 | 81.6 Ų | 81.6 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 178.3 | -171.2 | 66.2 | -177.7 | 96.7 | -7.4 | 112 | E719 F722 W750 M756 K757 W758 E761 | E719-R754 IonicContact OE1-CZ 2.78Å; E719-R754 IonicContact OE1-NE 3.82Å; E719-R754 PolarHBondContact OE1-NE 3.4Å; E719-R754 IonicContact OE1-NH2 3.94Å; F722-R754 HydrophobicContact CB-CG 4.25Å; F722-R754 HydrophobicContact CD1-CG 3.5Å; F722-R754 HydrophobicContact CD2-CB 4Å; F722-R754 HydrophobicContact CD2-CG 3.62Å; F722-R754 HydrophobicContact CE1-CG 3.65Å; F722-R754 HydrophobicContact CE2-CB 4.05Å; F722-R754 HydrophobicContact CE2-CG 3.76Å; F722-R754 HydrophobicContact CG-CB 4.34Å; F722-R754 HydrophobicContact CG-CG 3.49Å; F722-R754 VanDerWaalsContact CG-CG 3.49Å; F722-R754 HydrophobicContact CZ-CB 4.42Å; F722-R754 HydrophobicContact CZ-CG 3.78Å; W750-R754 HydrophobicContact CD2-CB 4.49Å; W750-R754 HydrophobicContact CE3-CB 4.02Å; W750-R754 HydrophobicContact CH2-CB 3.69Å; W750-R754 HydrophobicContact CH2-CG 3.55Å; W750-R754 HydrophobicContact CZ2-CB 4.21Å; W750-R754 HydrophobicContact CZ2-CG 4.22Å; W750-R754 HydrophobicContact CZ3-CB 3.6Å; W750-R754 HydrophobicContact CZ3-CG 3.86Å; W750-R754 PolarHBondContact O-N 2.95Å; R754-M756 VanDerWaalsContact C-N 3.33Å; R754-M756 PolarHBondContact O-N 3.18Å; R754-K757 PolarHBondContact O-N 3.14Å; R754-W758 VanDerWaalsContact O-CB 3.27Å; R754-W758 WeakPolarHBondContact O-CB 3.35Å; R754-W758 PolarHBondContact O-N 3.25Å; R754-E761 IonicContact CZ-OE2 2.72Å; R754-E761 IonicContact NH1-OE2 3.89Å; R754-E761 PolarHBondContact NH1-OE2 3.02Å; R754-E761 IonicContact NH2-OE2 3.18Å |
| 755 | R | 97.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 84.5 Ų | 84.5 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 169.1 | -77.5 | -166.2 | -66.6 | -82 | -2.3 | 112.5 | F722 K726 Y727 F751 W758 K759 | F722-R755 HydrophobicContact CE2-CG 3.69Å; F722-R755 HydrophobicContact CZ-CG 4.23Å; K726-R755 WeakPolarHBondContact O-CD 3.34Å; K726-R755 PolarHBondContact O-NH1 3.27Å; Y727-R755 VanDerWaalsContact CZ-CD 3.46Å; F751-R755 WeakPolarHBondContact O-CG 3.36Å; F751-R755 PolarHBondContact O-N 2.99Å; R755-W758 PolarHBondContact O-N 3.16Å; R755-K759 WeakPolarHBondContact O-CB 2.95Å; R755-K759 PolarHBondContact O-N 3.09Å |
| 756 | M | 97.1 | Very high | 90 | Very high | 96 Ų | 96 | 79.1 Ų | 79.1 | 47% | 0.473 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.3 | -31.6 | 177.5 | -70.9 | -62.2 | -69.5 | 0 | 0 | 113.2 | Q752 N753 R754 K760 | Q752-M756 WeakPolarHBondContact O-CG 3.17Å; Q752-M756 PolarHBondContact O-N 3.3Å; Q752-M756 VanDerWaalsContact O-N 3.09Å; N753-M756 PolarHBondContact O-N 2.72Å; N753-M756 VanDerWaalsContact O-N 3.16Å; R754-M756 VanDerWaalsContact C-N 3.33Å; R754-M756 PolarHBondContact O-N 3.18Å; M756-K760 WeakPolarHBondContact O-CG 2.98Å; M756-K760 PolarHBondContact O-N 3.14Å |
| 757 | K | 96.4 | Very high | 88.2 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.4 | -53.2 | 168.6 | 177.5 | -178.8 | 162 | -171.4 | 0 | 110.3 | E719 N753 R754 K759 K760 E761 | E719-K757 IonicContact OE1-NZ 3.97Å; N753-K757 PolarHBondContact O-N 3.27Å; R754-K757 PolarHBondContact O-N 3.14Å; K757-K759 VanDerWaalsContact C-N 3.33Å; K757-K759 PolarHBondContact O-N 3.36Å; K757-K760 CarbonylContact O-C 3.6Å; K757-K760 WeakPolarHBondContact O-CA 3.23Å; K757-K760 WeakPolarHBondContact O-CB 3.47Å; K757-K760 PolarHBondContact O-N 2.99Å; K757-E761 WeakPolarHBondContact CE-OE1 3.41Å; K757-E761 HydrophobicContact CG-CG 4.41Å; K757-E761 WeakPolarHBondContact CG-OE1 3.41Å; K757-E761 IonicContact NZ-OE1 3.74Å; K757-E761 WeakPolarHBondContact O-CG 3.06Å; K757-E761 PolarHBondContact O-N 3.25Å |
| 758 | W | 95.6 | Very high | 86.3 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -54.4 | -43.8 | 178.1 | -179.6 | 76.2 | 0 | 0 | 0 | 112.9 | F722 R754 R755 K760 E761 H762 | F722-W758 HydrophobicContact CE1-CB 4.01Å; F722-W758 HydrophobicContact CE1-CG 4.04Å; F722-W758 HydrophobicContact CZ-CB 3.79Å; F722-W758 AromaticContact CZ-CG 3.98Å; F722-W758 HydrophobicContact CZ-CG 3.98Å; R754-W758 VanDerWaalsContact O-CB 3.27Å; R754-W758 WeakPolarHBondContact O-CB 3.35Å; R754-W758 PolarHBondContact O-N 3.25Å; R755-W758 PolarHBondContact O-N 3.16Å; W758-K760 PolarHBondContact O-N 3.27Å; W758-E761 WeakPolarHBondContact CA-OE2 3.1Å; W758-E761 PolarHBondContact N-OE2 3.36Å; W758-E761 WeakPolarHBondContact O-CB 3.24Å; W758-E761 PolarHBondContact O-N 3.2Å; W758-E761 VanDerWaalsContact O-N 3.09Å; W758-H762 AromaticContact CD1-CD2 3.32Å; W758-H762 AromaticContact CD1-NE2 3.37Å; W758-H762 AromaticContact CE2-CD2 3.75Å; W758-H762 AromaticContact CG-CD2 3.98Å; W758-H762 AromaticContact NE1-CD2 3.15Å; W758-H762 PolarHBondContact NE1-CD2 3.07Å; W758-H762 AromaticContact NE1-CE1 3.84Å; W758-H762 AromaticContact NE1-CG 3.98Å; W758-H762 AromaticContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact O-CD2 3.1Å; W758-H762 PolarHBondContact O-N 2.75Å |
| 759 | K | 94.6 | Very high | 84.2 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174.7 | -175.4 | 161.1 | 68.6 | 171.7 | 0 | 112.5 | R755 K757 E761 H763 | R755-K759 WeakPolarHBondContact O-CB 2.95Å; R755-K759 PolarHBondContact O-N 3.09Å; K757-K759 VanDerWaalsContact C-N 3.33Å; K757-K759 PolarHBondContact O-N 3.36Å; K759-E761 VanDerWaalsContact C-N 3.3Å; K759-E761 PolarHBondContact O-N 3.08Å; K759-H763 VanDerWaalsContact O-CB 3.23Å; K759-H763 WeakPolarHBondContact O-CB 3.38Å; K759-H763 VanDerWaalsContact O-CG 3.3Å; K759-H763 PolarHBondContact O-N 2.96Å; K759-H763 PolarHBondContact O-ND1 3.21Å |
| 760 | K | 93.2 | Very high | 82 | Confident | 151 Ų | 151 | 94.1 Ų | 94.1 | 66% | 0.657 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.9 | -25.9 | 175.4 | -67.9 | 176.5 | 178 | -174.1 | 0 | 113.3 | M756 K757 W758 | M756-K760 WeakPolarHBondContact O-CG 2.98Å; M756-K760 PolarHBondContact O-N 3.14Å; K757-K760 CarbonylContact O-C 3.6Å; K757-K760 WeakPolarHBondContact O-CA 3.23Å; K757-K760 WeakPolarHBondContact O-CB 3.47Å; K757-K760 PolarHBondContact O-N 2.99Å; W758-K760 PolarHBondContact O-N 3.27Å |
| 761 | E | 91.2 | Very high | 80.1 | Confident | 71 Ų | 71 | 99 Ų | 99 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73 | -48.9 | 178.2 | -72.8 | 166.5 | 155.3 | 0 | 0 | 110.5 | R754 K757 W758 K759 K768 | R754-E761 IonicContact CZ-OE2 2.72Å; R754-E761 IonicContact NH1-OE2 3.89Å; R754-E761 PolarHBondContact NH1-OE2 3.02Å; R754-E761 IonicContact NH2-OE2 3.18Å; K757-E761 WeakPolarHBondContact CE-OE1 3.41Å; K757-E761 HydrophobicContact CG-CG 4.41Å; K757-E761 WeakPolarHBondContact CG-OE1 3.41Å; K757-E761 IonicContact NZ-OE1 3.74Å; K757-E761 WeakPolarHBondContact O-CG 3.06Å; K757-E761 PolarHBondContact O-N 3.25Å; W758-E761 WeakPolarHBondContact CA-OE2 3.1Å; W758-E761 PolarHBondContact N-OE2 3.36Å; W758-E761 WeakPolarHBondContact O-CB 3.24Å; W758-E761 PolarHBondContact O-N 3.2Å; W758-E761 VanDerWaalsContact O-N 3.09Å; K759-E761 VanDerWaalsContact C-N 3.3Å; K759-E761 PolarHBondContact O-N 3.08Å; E761-K768 PolarHBondContact O-NZ 2.7Å |
| 762 | H | 87.9 | Confident | 78.2 | Confident | 121 Ų | 121 | 105.5 Ų | 105.5 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -88.3 | -29.9 | -173.9 | -71.6 | -98.2 | 0 | 0 | 0 | 115.5 | W758 L764 | W758-H762 AromaticContact CD1-CD2 3.32Å; W758-H762 AromaticContact CD1-NE2 3.37Å; W758-H762 AromaticContact CE2-CD2 3.75Å; W758-H762 AromaticContact CG-CD2 3.98Å; W758-H762 AromaticContact NE1-CD2 3.15Å; W758-H762 PolarHBondContact NE1-CD2 3.07Å; W758-H762 AromaticContact NE1-CE1 3.84Å; W758-H762 AromaticContact NE1-CG 3.98Å; W758-H762 AromaticContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact O-CD2 3.1Å; W758-H762 PolarHBondContact O-N 2.75Å; H762-L764 PolarHBondContact O-N 2.99Å |
| 763 | H | 75.4 | Confident | 76.1 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -83.5 | 30 | -174.6 | -63 | 36.5 | 0 | 0 | 0 | 113.6 | K759 | K759-H763 VanDerWaalsContact O-CB 3.23Å; K759-H763 WeakPolarHBondContact O-CB 3.38Å; K759-H763 VanDerWaalsContact O-CG 3.3Å; K759-H763 PolarHBondContact O-N 2.96Å; K759-H763 PolarHBondContact O-ND1 3.21Å |
| 764 | L | 64.3 | Low | 74 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 29% | 0.288 | 52% | 0.523 | S | S | . | . | | | trans | -140.9 | 72.2 | -177.4 | -88.9 | 94.9 | 0 | 0 | 0 | 112.8 | H762 M767 K768 | H762-L764 PolarHBondContact O-N 2.99Å; L764-M767 HydrophobicContact CD2-CB 3.91Å; L764-M767 HydrophobicContact CD2-CE 3.94Å; L764-M767 HydrophobicContact CG-CE 4.06Å; L764-K768 HydrophobicContact CD2-CG 4.01Å |
| 765 | P | 58.1 | Low | 71.9 | Confident | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -65.8 | 132.5 | 146 | 30.7 | -31 | 0 | 0 | 0 | 109 | M767 | P765-M767 PolarHBondContact O-N 3.23Š|
| 766 | G | 57.2 | Low | 69.4 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 80.2 | 1.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 767 | M | 59.6 | Low | 66.9 | Low | 109 Ų | 109 | 116.2 Ų | 116.2 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | | | trans | -112.4 | -12.9 | 178.1 | -39.7 | -157.5 | -56.5 | 0 | 0 | 116.6 | L764 P765 Q769 R770 | L764-M767 HydrophobicContact CD2-CB 3.91Å; L764-M767 HydrophobicContact CD2-CE 3.94Å; L764-M767 HydrophobicContact CG-CE 4.06Å; P765-M767 PolarHBondContact O-N 3.23Å; M767-Q769 VanDerWaalsContact C-N 3.35Å; M767-Q769 PolarHBondContact O-N 3.21Å; M767-R770 PolarHBondContact O-N 3.39Å |
| 768 | K | 57.8 | Low | 64.7 | Low | 109 Ų | 109 | 119 Ų | 119 | 47% | 0.474 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -70.5 | -26.9 | -175 | -70.2 | 172.5 | -174.6 | 157.6 | 0 | 113.7 | E761 L764 R770 | E761-K768 PolarHBondContact O-NZ 2.7Å; L764-K768 HydrophobicContact CD2-CG 4.01Å; K768-R770 PolarHBondContact O-N 3.12Å |
| 769 | Q | 53.2 | Low | 62.4 | Low | 157 Ų | 157 | 118.7 Ų | 118.7 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65.1 | -36.7 | 176.9 | -137.8 | 70.6 | 12.5 | 0 | 0 | 113.2 | M767 L771 | M767-Q769 VanDerWaalsContact C-N 3.35Å; M767-Q769 PolarHBondContact O-N 3.21Å; Q769-L771 VanDerWaalsContact C-N 3.34Å; Q769-L771 PolarHBondContact O-N 3.09Å |
| 770 | R | 51.2 | Low | 60 | Low | 184 Ų | 184 | 121.3 Ų | 121.3 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -81.1 | -3.4 | -170.1 | -72.6 | -169.8 | -71.9 | -158.2 | -3.6 | 115.6 | M767 K768 S774 | M767-R770 PolarHBondContact O-N 3.39Å; K768-R770 PolarHBondContact O-N 3.12Å; R770-S774 PolarHBondContact O-OG 3.08Å |
| 771 | L | 58.6 | Low | 57.6 | Low | 132 Ų | 132 | 123.4 Ų | 123.4 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -111.6 | -0.1 | -177.8 | -143.4 | 82 | 0 | 0 | 0 | 114.5 | Q769 | Q769-L771 VanDerWaalsContact C-N 3.34Å; Q769-L771 PolarHBondContact O-N 3.09Å |
| 772 | I | 60.2 | Low | 55.4 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -45.1 | 173.2 | -61.3 | 179.7 | 0 | 0 | 0 | 109 | S774 R775 | I772-S774 VanDerWaalsContact C-N 3.3Å; I772-S774 PolarHBondContact O-N 3.41Å; I772-R775 PolarHBondContact O-N 3.46Å |
| 773 | E | 52.7 | Low | 53.4 | Low | 156 Ų | 156 | 129.1 Ų | 129.1 | 73% | 0.729 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -56.4 | -41 | 172.4 | -140.2 | 60.9 | -118.7 | 0 | 0 | 113.1 | R775 | E773-R775 PolarHBondContact O-N 3.37Š|
| 774 | S | 53.9 | Low | 51.6 | Low | 80 Ų | 80 | 131.2 Ų | 131.2 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -75.2 | 25.8 | -176.8 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | R770 I772 | R770-S774 PolarHBondContact O-OG 3.08Å; I772-S774 VanDerWaalsContact C-N 3.3Å; I772-S774 PolarHBondContact O-N 3.41Å |
| 775 | R | 53.9 | Low | 50.4 | Low | 179 Ų | 179 | 135.8 Ų | 135.8 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -130.3 | 13.1 | -175.9 | -117.1 | 179.3 | -179.7 | -144.9 | -5.4 | 114.9 | I772 E773 P777 | I772-R775 PolarHBondContact O-N 3.46Å; E773-R775 PolarHBondContact O-N 3.37Å; R775-P777 VanDerWaalsContact O-CD 3.31Å; R775-P777 WeakPolarHBondContact O-CD 3.32Å |
| 776 | S | 44.4 | Very low | 49.4 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | | | trans | -88.9 | 103.5 | 158.3 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | N778 | S776-N778 VanDerWaalsContact C-N 3.28Å; S776-N778 PolarHBondContact O-N 3.48Å; S776-N778 VanDerWaalsContact O-N 3.08Å |
| 777 | P | 46.1 | Very low | 48.5 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 55 | -173.6 | 38.3 | -36.4 | 0 | 0 | 0 | 111.8 | R775 | R775-P777 VanDerWaalsContact O-CD 3.31Å; R775-P777 WeakPolarHBondContact O-CD 3.32Å |
| 778 | N | 48.7 | Very low | 47.5 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159 | 3.2 | 172 | -106.9 | -15.6 | 0 | 0 | 0 | 116.9 | S776 | S776-N778 VanDerWaalsContact C-N 3.28Å; S776-N778 PolarHBondContact O-N 3.48Å; S776-N778 VanDerWaalsContact O-N 3.08Å |
| 779 | A | 47.1 | Very low | 46.6 | Very low | 82 Ų | 82 | 144 Ų | 144 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -112.2 | 15.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 780 | H | 45.5 | Very low | 46 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -127.4 | 1 | 178.4 | -139.1 | 63.3 | 0 | 0 | 0 | 116.9 | N782 | H780-N782 PolarHBondContact O-N 3.18Š|
| 781 | F | 43.2 | Very low | 45.2 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -77.8 | 104.2 | 148.5 | -95.8 | -92.4 | 0 | 0 | 0 | 107.2 | | |
| 782 | N | 44.7 | Very low | 44.4 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 161.6 | -18.1 | 154 | -84.1 | -16 | 0 | 0 | 0 | 112.8 | H780 L784 H785 | H780-N782 PolarHBondContact O-N 3.18Å; N782-L784 PolarHBondContact O-N 3.38Å; N782-H785 PolarHBondContact O-N 3.43Å; N782-H785 VanDerWaalsContact O-N 3.08Å |
| 783 | K | 46.2 | Very low | 43.4 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 14.2 | 175.4 | -143.6 | -177.5 | -179.1 | -179.9 | 0 | 114.8 | | |
| 784 | L | 37.3 | Very low | 42.6 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 16.3 | 167.3 | -75.6 | 174.3 | 0 | 0 | 0 | 112.6 | N782 | N782-L784 PolarHBondContact O-N 3.38Š|
| 785 | H | 39.7 | Very low | 41.7 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -124.9 | 59.1 | 174 | -95.2 | -100.7 | 0 | 0 | 0 | 111.3 | N782 | N782-H785 PolarHBondContact O-N 3.43Å; N782-H785 VanDerWaalsContact O-N 3.08Å |
| 786 | N | 37.2 | Very low | 40.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -154.9 | 32.6 | 166.4 | -104.5 | -29.5 | 0 | 0 | 0 | 113.9 | | |
| 787 | N | 36.7 | Very low | 40.7 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -149.5 | 60.3 | 155.5 | -164.3 | 8 | 0 | 0 | 0 | 110.9 | | |
| 788 | A | 38.3 | Very low | 40.4 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | -131.3 | 39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 789 | N | 40.3 | Very low | 40 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | | | trans | -140.3 | 43.5 | -178.8 | -108.9 | -8.3 | 0 | 0 | 0 | 111.6 | | |
| 790 | S | 40.2 | Very low | 39.4 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | trans | -152.7 | 72.3 | 156 | -165 | 0 | 0 | 0 | 0 | 111 | S792 | S790-S792 PolarHBondContact O-N 3.27Š|
| 791 | I | 33.9 | Very low | 38.9 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 96% | 0.959 | 77% | 0.77 | S | S | * | * | | | trans | -78.7 | 80.6 | 145.2 | -61.9 | -178.9 | 0 | 0 | 0 | 105.3 | | |
| 792 | S | 42 | Very low | 38.8 | Very low | 77 Ų | 77 | 134 Ų | 134 | 54% | 0.538 | 76% | 0.764 | S | S | . | * | | | trans | -141.9 | 97.2 | 171.3 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | S790 | S790-S792 PolarHBondContact O-N 3.27Š|
| 793 | I | 39.1 | Very low | 38.7 | Very low | 125 Ų | 125 | 134 Ų | 134 | 64% | 0.641 | 76% | 0.764 | S | S | * | * | | | trans | 55.3 | 122.2 | 146.9 | -52 | 174.1 | 0 | 0 | 0 | 116.8 | N795 | I793-N795 HydrophobicContact CG2-CB 4.38Å; I793-N795 VanDerWaalsContact CG2-OD1 3.29Å; I793-N795 WeakPolarHBondContact CG2-OD1 3.19Å; I793-N795 PolarHBondContact O-N 3.33Å |
| 794 | M | 37.2 | Very low | 38.6 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | | | trans | -65.8 | 78.9 | 161.3 | -67.6 | -175.6 | -69.5 | 0 | 0 | 110.6 | T796 | M794-T796 PolarHBondContact O-N 3.16Å; M794-T796 VanDerWaalsContact O-N 3.11Å |
| 795 | N | 34.2 | Very low | 38.7 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | -85.7 | 62.9 | 172.7 | -91.9 | -14 | 0 | 0 | 0 | 110.5 | I793 T797 | I793-N795 HydrophobicContact CG2-CB 4.38Å; I793-N795 VanDerWaalsContact CG2-OD1 3.29Å; I793-N795 WeakPolarHBondContact CG2-OD1 3.19Å; I793-N795 PolarHBondContact O-N 3.33Å; N795-T797 PolarHBondContact O-N 3.18Å |
| 796 | T | 37.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | | | trans | -76.2 | 73.6 | 166.1 | -43.1 | 0 | 0 | 0 | 0 | 109.5 | M794 | M794-T796 PolarHBondContact O-N 3.16Å; M794-T796 VanDerWaalsContact O-N 3.11Å |
| 797 | T | 39.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | trans | 34.1 | 114.2 | 146.5 | 53.6 | 0 | 0 | 0 | 0 | 119.4 | N795 | N795-T797 PolarHBondContact O-N 3.18Š|
| 798 | N | 40.1 | Very low | 39.1 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | 103.8 | 144.6 | 132.4 | -59.1 | -9.5 | 0 | 0 | 0 | 119.9 | | |
| 799 | N | 39.8 | Very low | 39.2 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | | | trans | 60.2 | 69.3 | 162.2 | -62.1 | 9.1 | 0 | 0 | 0 | 117.3 | | |
| 800 | G | 34.5 | Very low | 39 | Very low | 82 Ų | 82 | 127.4 Ų | 127.4 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | trans | -67.2 | 151.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 801 | G | 35.1 | Very low | 39 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | trans | 154.3 | 61.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 802 | N | 40.8 | Very low | 39.3 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | | | trans | 31.4 | 115.8 | 146.5 | -61.7 | -8.7 | 0 | 0 | 0 | 120 | | |
| 803 | N | 43.4 | Very low | 39.2 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | 69.3 | 125.2 | 120.7 | -55.5 | -9.3 | 0 | 0 | 0 | 120.8 | | |
| 804 | N | 43.8 | Very low | 39.2 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | 79.8 | 108.1 | 134.2 | -62.1 | -1.4 | 0 | 0 | 0 | 120.6 | | |
| 805 | N | 39.4 | Very low | 39.2 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | | | trans | 85.5 | 158.4 | 133.8 | -52.3 | -16.2 | 0 | 0 | 0 | 120.1 | | |
| 806 | I | 40.2 | Very low | 39.5 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | 78.2 | 80.7 | 158.5 | -32.5 | -169 | 0 | 0 | 0 | 118.4 | | |
| 807 | H | 36.8 | Very low | 39.7 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | | | trans | -18.1 | 146.6 | 134.8 | -170.1 | -116.1 | 0 | 0 | 0 | 115.4 | | |
| 808 | P | 43.5 | Very low | 39.8 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | cis | -143.9 | 162.5 | 44.6 | 22.1 | 4.9 | 0 | 0 | 0 | 120.2 | | |
| 809 | S | 40.3 | Very low | 39.9 | Very low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 74% | 0.744 | S | S | * | * | | | trans | 13.4 | 133.2 | 147.4 | 67.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 810 | L | 38 | Very low | 40 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | | | | 168.5 | 101.8 | 98.4 | -83.2 | 177.8 | 0 | 0 | 0 | 110.5 | | |
| 811 | T | 39.5 | Very low | 40.3 | Very low | 107 Ų | 107 | 124 Ų | 124 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | | | | 82.7 | 144.3 | 92.5 | -32.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 812 | F | 39.6 | Very low | 40.4 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | trans | 73.1 | 104.8 | 176.9 | -71.9 | -89.1 | 0 | 0 | 0 | 116.1 | | |
| 813 | Q | 40.9 | Very low | 40.2 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | | 78.4 | 133.2 | 86 | -79.3 | -171.8 | 5 | 0 | 0 | 113.7 | | |
| 814 | A | 37.7 | Very low | 40 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | | | cis | -160.9 | 172 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 815 | S | 38.7 | Very low | 39.9 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 66.1 | 126.2 | 163.3 | 47.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 816 | S | 40.7 | Very low | 39.6 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | | | trans | 59.7 | 72.8 | 152.7 | 51.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 817 | S | 40.7 | Very low | 39.6 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | trans | -61.3 | 171.5 | 135.2 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 818 | S | 42.7 | Very low | 39.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | cis | -172.8 | 156.7 | -1.8 | 25.4 | 0 | 0 | 0 | 0 | 108 | | |
| 819 | S | 42.7 | Very low | 39.1 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | cis | -170.9 | 143.3 | -16.3 | 48.7 | 0 | 0 | 0 | 0 | 110 | | |
| 820 | S | 40.8 | Very low | 39.1 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | -62.2 | 146.8 | 162.7 | 54 | 0 | 0 | 0 | 0 | 113 | | |
| 821 | L | 41.2 | Very low | 38.8 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | | | trans | -160.1 | 150.1 | 151.5 | -67.2 | -172.8 | 0 | 0 | 0 | 108.4 | | |
| 822 | F | 37 | Very low | 38.6 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | | | cis | -143.6 | 151.6 | -8.4 | -142.1 | -73.7 | 0 | 0 | 0 | 109.6 | | |
| 823 | S | 37.4 | Very low | 38.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -141.5 | 121.6 | 166.8 | 175 | 0 | 0 | 0 | 0 | 109.9 | | |
| 824 | S | 39.2 | Very low | 38.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | 176.5 | 159.4 | 173.3 | -88.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 825 | R | 40.3 | Very low | 37.9 | Very low | 212 Ų | 212 | 134.9 Ų | 134.9 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | cis | -170.5 | 128.9 | -36.6 | -134.4 | 176 | 175.8 | -178.9 | -0.5 | 109.8 | | |
| 826 | F | 34.8 | Very low | 37.7 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | | | trans | 54.2 | 159.5 | 138.4 | -89.2 | -115.6 | 0 | 0 | 0 | 123.8 | | |
| 827 | Q | 39.8 | Very low | 37.4 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | trans | 75.5 | 139.2 | 146.8 | -82.1 | 143.8 | -18.7 | 0 | 0 | 119.8 | | |
| 828 | L | 35 | Very low | 37.2 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | cis | -167.9 | 172.3 | -18.5 | -128.3 | -170.8 | 0 | 0 | 0 | 112.1 | | |
| 829 | M | 33.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 84 | 140.2 | 150.3 | -73.6 | 164.7 | 75.9 | 0 | 0 | 122.8 | | |
| 830 | S | 40.7 | Very low | 36.8 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | trans | 53.9 | 120.2 | 156.3 | -54 | 0 | 0 | 0 | 0 | 119.9 | | |
| 831 | Q | 33.1 | Very low | 36.3 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | | | | 61.2 | 106 | 67.2 | -66.2 | -177.7 | -15.4 | 0 | 0 | 113.4 | | |
| 832 | D | 34.6 | Very low | 36.1 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | | -173.6 | 161.3 | 94 | -109.9 | -31 | 0 | 0 | 0 | 117.2 | | |
| 833 | L | 36.6 | Very low | 35.8 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | | | trans | 24.4 | 115.7 | 150.7 | -60.8 | 167.3 | 0 | 0 | 0 | 124 | | |
| 834 | K | 35.5 | Very low | 35.7 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | | 46 | 127 | 120.7 | -71.2 | 175.5 | 177.9 | 171.3 | 0 | 123.7 | | |
| 835 | S | 30.7 | Very low | 35.4 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | 90 | 155.2 | 129.4 | 81.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 836 | D | 36.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | | | trans | 81.9 | 90.6 | 159.1 | -62 | -65 | 0 | 0 | 0 | 122.9 | | |
| 837 | N | 34.3 | Very low | 35.1 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | | 65.7 | 157 | 112.5 | -74.8 | -58.8 | 0 | 0 | 0 | 122.4 | | |
| 838 | L | 36.6 | Very low | 34.9 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | | | trans | 75.6 | 142.9 | 174.2 | -50.4 | 177.7 | 0 | 0 | 0 | 114.8 | | |
| 839 | S | 39.9 | Very low | 35 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | cis | -156 | 165 | 4.7 | 53.7 | 0 | 0 | 0 | 0 | 114 | | |
| 840 | N | 36.2 | Very low | 35.2 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | 74.6 | 123.6 | 154 | -64.9 | -7.7 | 0 | 0 | 0 | 122.1 | | |
| 841 | C | 29.5 | Very low | 34.9 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | | | trans | -85.5 | -179.4 | 161.7 | -49.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 842 | P | 37.6 | Very low | 35.2 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | | -133.8 | 174.6 | 97.9 | 38.9 | -30.5 | 0 | 0 | 0 | 114.8 | | |
| 843 | I | 30.8 | Very low | 35.5 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -108.1 | 140.2 | -170.3 | -61.7 | 159.3 | 0 | 0 | 0 | 110.2 | | |
| 844 | T | 34.9 | Very low | 36 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | -172.5 | 118.9 | 137.1 | 30.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 845 | S | 34 | Very low | 36.2 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | 16.5 | 125.3 | 133.5 | 49.3 | 0 | 0 | 0 | 0 | 118 | | |
| 846 | N | 32.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | cis | -169.2 | 158.8 | 49.1 | -115.5 | 15.6 | 0 | 0 | 0 | 114.4 | | |
| 847 | E | 34.9 | Very low | 37 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | trans | 57.8 | 112.8 | 141.6 | -67.6 | 157.2 | 174.6 | 0 | 0 | 122 | | |
| 848 | D | 35.7 | Very low | 37.1 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | | 93.8 | 120.5 | 126.5 | -84.3 | 36.8 | 0 | 0 | 0 | 124.5 | | |
| 849 | N | 37.3 | Very low | 37 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | trans | 72.3 | 69.3 | 145.3 | -58.3 | -44.4 | 0 | 0 | 0 | 119.8 | | |
| 850 | T | 36.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | | 31.8 | 112.3 | 126.5 | 57.4 | 0 | 0 | 0 | 0 | 118.6 | L852 | T850-L852 PolarHBondContact O-N 2.84Š|
| 851 | S | 35.1 | Very low | 36.6 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.3 | 170.8 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 852 | L | 39.2 | Very low | 36.9 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 133.5 | 163.6 | -80.1 | 161.7 | 0 | 0 | 0 | 110.7 | T850 | T850-L852 PolarHBondContact O-N 2.84Š|
| 853 | M | 41.7 | Very low | 36.8 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 154.6 | 178.6 | -77.2 | 176.5 | 59.4 | 0 | 0 | 113.1 | | |
| 854 | P | 46 | Very low | 37 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 145.9 | 170.1 | -20.7 | 33.1 | 0 | 0 | 0 | 112.7 | D856 | P854-D856 VanDerWaalsContact C-N 3.28Å; P854-D856 PolarHBondContact O-N 3.12Å |
| 855 | P | 41 | Very low | 37 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -82.7 | 50.9 | -169.2 | 35.2 | -38.4 | 0 | 0 | 0 | 114.9 | | |
| 856 | D | 39.4 | Very low | 37 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -113.1 | 9.1 | -175.9 | -79.6 | -51.4 | 0 | 0 | 0 | 115.4 | P854 | P854-D856 VanDerWaalsContact C-N 3.28Å; P854-D856 PolarHBondContact O-N 3.12Å |
| 857 | Q | 42.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 140 Ų | 140 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | | | trans | -116.9 | 11.6 | -178.2 | -73.1 | -165.2 | -19 | 0 | 0 | 116.3 | S859 | Q857-S859 PolarHBondContact O-N 2.72Š|
| 858 | W | 36.7 | Very low | 37.1 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 33.9 | -176.7 | -80.4 | 87.7 | 0 | 0 | 0 | 115.8 | | |
| 859 | S | 36.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | -9.3 | 177.4 | -71.6 | 0 | 0 | 0 | 0 | 115.7 | Q857 | Q857-S859 PolarHBondContact O-N 2.72Š|
| 860 | L | 35.5 | Very low | 37 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -142.2 | 49.6 | -177.1 | -70.7 | 176.2 | 0 | 0 | 0 | 113.6 | | |
| 861 | M | 31.2 | Very low | 36.7 | Very low | 154 Ų | 154 | 140 Ų | 140 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -157.5 | 61.2 | 171.4 | -118.8 | -170.5 | -55.8 | 0 | 0 | 114.5 | | |
| 862 | V | 36.1 | Very low | 36.7 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -137.6 | 67.5 | 159.6 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 863 | S | 34.4 | Very low | 36.5 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -156.4 | 146.2 | 173.2 | -70.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 864 | S | 35.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | 72.3 | 138.5 | 176.9 | -52.5 | 0 | 0 | 0 | 0 | 117 | | |
| 865 | N | 34.9 | Very low | 35.5 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | 89.1 | 122.3 | 179.9 | -54.4 | -17.7 | 0 | 0 | 0 | 115.3 | | |
| 866 | L | 35.2 | Very low | 35.3 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | cis | -151.4 | 155.2 | -0.8 | -152.3 | 71.7 | 0 | 0 | 0 | 111.7 | | |
| 867 | Q | 33.2 | Very low | 35.2 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -55.2 | 158.6 | 167.9 | -82.8 | 79 | -8.7 | 0 | 0 | 111.7 | | |
| 868 | T | 35.4 | Very low | 34.6 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | | | | -173.8 | 165.6 | 77.3 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 869 | Y | 35.5 | Very low | 34.5 | Very low | 208 Ų | 208 | 141.8 Ų | 141.8 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | 69.3 | 93.5 | 175.6 | -54.7 | -70.5 | 0 | 0 | 0 | 115.4 | | |
| 870 | S | 34.8 | Very low | 34.3 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | cis | 92.8 | 99.9 | 30.3 | 90.5 | 0 | 0 | 0 | 0 | 116 | | |
| 871 | N | 32 | Very low | 34.3 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 68.3 | 156.2 | 154 | -50.3 | -26.7 | 0 | 0 | 0 | 116.7 | | |
| 872 | L | 34.5 | Very low | 34.5 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | cis | -121 | 154.7 | 8.1 | -81.1 | 79.1 | 0 | 0 | 0 | 113.5 | | |
| 873 | T | 34.4 | Very low | 34.8 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | -77.3 | 156.3 | 166.1 | -42.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 874 | I | 35.1 | Very low | 35.1 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | | 178.9 | 112.2 | 127.8 | -90.4 | 154.8 | 0 | 0 | 0 | 112.3 | | |
| 875 | N | 33.1 | Very low | 35 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | | | trans | 35.3 | 106.6 | 138.8 | -50.4 | -10.7 | 0 | 0 | 0 | 120.8 | | |
| 876 | T | 35 | Very low | 35.1 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | | 85.9 | 170.3 | 99.6 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 877 | P | 37.4 | Very low | 34.9 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | | | | -130.2 | -173.1 | -107.7 | 26.6 | -0.5 | 0 | 0 | 0 | 115.1 | | |
| 878 | Y | 30.4 | Very low | 35 | Very low | 218 Ų | 218 | 138.8 Ų | 138.8 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | 81.2 | 157.6 | 167.5 | -70 | -82.2 | 0 | 0 | 0 | 119.5 | | |
| 879 | H | 34.2 | Very low | 35.1 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | | | trans | 84.1 | 143.8 | 167.8 | -107.7 | -96.7 | 0 | 0 | 0 | 119.7 | | |
| 880 | S | 32.4 | Very low | 35.2 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -107.4 | -178.8 | -161.4 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 881 | S | 35.6 | Very low | 35.1 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | 70.1 | 100.9 | 156.5 | 47.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 882 | L | 36.2 | Very low | 35.5 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | | | | 80.4 | 161.6 | 126.2 | -69.4 | 164.4 | 0 | 0 | 0 | 118.1 | | |
| 883 | P | 40.9 | Very low | 35.9 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | -108.1 | -174.6 | -146.8 | 44.5 | -38.3 | 0 | 0 | 0 | 113.2 | | |
| 884 | P | 40.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | | -141.3 | 165.7 | 87.3 | 38.9 | -25 | 0 | 0 | 0 | 115.3 | | |
| 885 | T | 34.9 | Very low | 36.4 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | -67.4 | 141.9 | 160 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 886 | Q | 35.4 | Very low | 36.6 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | | | | -170.7 | 124.7 | 127.7 | -109.2 | 173.5 | 20.9 | 0 | 0 | 114.5 | | |
| 887 | H | 31.4 | Very low | 36.6 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | | | | 57.5 | 149.6 | 125.8 | -91.8 | -122.3 | 0 | 0 | 0 | 123.8 | | |
| 888 | H | 36.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | | | trans | 72.6 | 137.5 | 153.9 | -64.8 | -42.3 | 0 | 0 | 0 | 118.1 | | |
| 889 | H | 36.7 | Very low | 37.1 | Very low | 141 Ų | 141 | 138 Ų | 138 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | | | cis | -164.4 | 167.8 | -16.3 | -131.2 | -6.8 | 0 | 0 | 0 | 113.3 | | |
| 890 | H | 37.5 | Very low | 37 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | | | trans | 72 | 152.2 | 157.1 | -74 | 31.5 | 0 | 0 | 0 | 119 | | |
| 891 | R | 33 | Very low | 37.1 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | cis | -171.4 | 170.7 | -33.5 | -159.2 | 167.7 | -178.5 | -128 | 9 | 107.4 | | |
| 892 | H | 39.4 | Very low | 36.9 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 60% | 0.602 | 75% | 0.745 | S | S | * | * | | | trans | 79.3 | 128.7 | 160.1 | -71.2 | -68 | 0 | 0 | 0 | 118.3 | | |
| 893 | T | 43.4 | Very low | 37 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | | | cis | -159.4 | 168.2 | -22 | -10.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 894 | D | 40.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | 71.1 | 139.9 | 158 | -49.5 | -32.4 | 0 | 0 | 0 | 119.1 | | |
| 895 | G | 39.1 | Very low | 36.8 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | trans | 166.7 | -30.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 896 | N | 36.9 | Very low | 36.9 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | trans | 67.6 | 125.4 | 167.7 | -87.2 | 0.6 | 0 | 0 | 0 | 121.7 | | |
| 897 | Y | 36.4 | Very low | 37.1 | Very low | 209 Ų | 209 | 141 Ų | 141 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | | | trans | 61 | 95.4 | 148.4 | -67.9 | -74.9 | 0 | 0 | 0 | 123.4 | | |
| 898 | N | 33.1 | Very low | 37.5 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | | | trans | -70.9 | 178.6 | 140.2 | -114.4 | -11.7 | 0 | 0 | 0 | 111.1 | | |
| 899 | P | 44 | Very low | 37.2 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | -133.9 | -151.5 | -38.5 | 32.9 | -10.1 | 0 | 0 | 0 | 110.9 | | |
| 900 | I | 31.7 | Very low | 37.1 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | | | trans | 77.5 | 110.4 | 168.5 | -47.6 | 167.7 | 0 | 0 | 0 | 115.1 | | |
| 901 | G | 34.3 | Very low | 37.2 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | -166 | 151.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 902 | R | 33.2 | Very low | 37.1 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | trans | -99.9 | 178.3 | 175.4 | -64.1 | 179.1 | -177.9 | 159.1 | 1 | 110.2 | | |
| 903 | D | 37.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | 104.3 | 117.9 | 153.3 | -51 | -29.8 | 0 | 0 | 0 | 117.2 | | |
| 904 | S | 37.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -58.5 | 172.8 | 161.6 | -41.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 905 | P | 40.2 | Very low | 36.4 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | cis | -158.6 | -162.2 | 38.3 | 41.6 | -16 | 0 | 0 | 0 | 118.2 | | |
| 906 | I | 36.5 | Very low | 36.1 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | 85.2 | 116.8 | 156.9 | -67.1 | 164 | 0 | 0 | 0 | 118 | | |
| 907 | L | 38.6 | Very low | 36.1 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 71% | 0.707 | 78% | 0.783 | S | S | * | * | | | trans | -81.9 | 168.8 | 162.1 | -93.9 | 156 | 0 | 0 | 0 | 110.9 | | |
| 908 | P | 39.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | | -129.1 | 141 | 110.8 | 5.4 | 15.2 | 0 | 0 | 0 | 113.6 | | |
| 909 | D | 31.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | | | trans | -67 | 160.4 | 163.6 | -67.6 | -73.4 | 0 | 0 | 0 | 112.2 | | |
| 910 | Y | 35.3 | Very low | 35 | Very low | 241 Ų | 241 | 138.4 Ų | 138.4 | 95% | 0.945 | 78% | 0.779 | S | S | * | * | | | | -164.8 | 149.3 | 109.1 | -98.3 | -65.4 | 0 | 0 | 0 | 110.6 | | |
| 911 | A | 37.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -109 | 159.2 | -149.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 912 | S | 31.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -79.2 | 147.2 | 166.6 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 913 | P | 39.1 | Very low | 34.5 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | | | trans | -84 | 136.2 | 171 | 33 | -32.6 | 0 | 0 | 0 | 112 | | |
| 914 | A | 35.2 | Very low | 34 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -144 | 137.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 915 | L | 35.1 | Very low | 33.7 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | 42.9 | 103.6 | 151.9 | -55.9 | 178.8 | 0 | 0 | 0 | 120.8 | | |
| 916 | N | 31.1 | Very low | 33.3 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | | | | 65.5 | 163.6 | 112.1 | -156.7 | 34.1 | 0 | 0 | 0 | 121.8 | | |
| 917 | V | 37.1 | Very low | 33.1 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | | | trans | 89.3 | 110.7 | 166.6 | -169.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 918 | D | 29.7 | Very low | 32.9 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | 27.5 | 137 | 144.7 | -62.7 | -50 | 0 | 0 | 0 | 124.7 | | |
| 919 | H | 30.4 | Very low | 32.4 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 75 | 124.5 | 138.1 | -98 | -91.5 | 0 | 0 | 0 | 121.8 | | |
| 920 | L | 30.6 | Very low | 32.6 | Very low | 131 Ų | 131 | 139 Ų | 139 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | 71.2 | 156.8 | 152.8 | -51 | 178 | 0 | 0 | 0 | 116.3 | | |
| 921 | H | 29.6 | Very low | 32.5 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | | | cis | -149.3 | 152.6 | -8.9 | -118.7 | 145.9 | 0 | 0 | 0 | 109.4 | | |
| 922 | I | 30.7 | Very low | 32.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 64% | 0.641 | 73% | 0.732 | S | S | * | * | | | trans | 29.7 | 121.7 | 146.9 | -63.7 | 160.1 | 0 | 0 | 0 | 119.3 | S924 | I922-S924 PolarHBondContact O-N 2.68Å; I922-S924 VanDerWaalsContact O-N 3.14Å |
| 923 | H | 28.7 | Very low | 32.7 | Very low | 200 Ų | 200 | 137.1 Ų | 137.1 | 93% | 0.926 | 73% | 0.725 | S | S | * | * | | | trans | -63.4 | 106.2 | 157.3 | -106.2 | -127.9 | 0 | 0 | 0 | 110.9 | | |
| 924 | S | 28 | Very low | 32.6 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | | | trans | -169.8 | 132.1 | 167.6 | -78.3 | 0 | 0 | 0 | 0 | 108.4 | I922 | I922-S924 PolarHBondContact O-N 2.68Å; I922-S924 VanDerWaalsContact O-N 3.14Å |
| 925 | N | 30.7 | Very low | 32.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | | | cis | -147.4 | 163.2 | -3.7 | -81.9 | -46.9 | 0 | 0 | 0 | 108.6 | | |
| 926 | H | 31.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | | | trans | -145.4 | 108 | 156.1 | -153.3 | 59.8 | 0 | 0 | 0 | 111.9 | | |
| 927 | L | 32.9 | Very low | 33 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | | | | 160.5 | 135.9 | 128.3 | -85.4 | 162.5 | 0 | 0 | 0 | 111.8 | | |
| 928 | H | 34 | Very low | 32.8 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | trans | 58.9 | 127.6 | 164.6 | -58.9 | 114.5 | 0 | 0 | 0 | 117.6 | | |
| 929 | N | 29.8 | Very low | 33.1 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | | | cis | -175.9 | 174.2 | 21.7 | -153.5 | -2 | 0 | 0 | 0 | 109.9 | | |
| 930 | T | 34.7 | Very low | 33.2 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | | | trans | 57.3 | 108.9 | 155.3 | 48.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 931 | Q | 33.4 | Very low | 33.4 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | | 76.8 | 135.2 | 106.7 | -143.2 | 153.3 | 4.3 | 0 | 0 | 119.6 | | |
| 932 | D | 34.3 | Very low | 33.5 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | | | cis | -156 | 169 | -2.3 | -130.2 | -28.5 | 0 | 0 | 0 | 113.6 | | |
| 933 | H | 39.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 64% | 0.644 | 72% | 0.717 | S | S | * | * | | | trans | 57.7 | 121.2 | 149.4 | -65.7 | -31.5 | 0 | 0 | 0 | 125.3 | | |
| 934 | H | 37.8 | Very low | 33.9 | Very low | 154 Ų | 154 | 135 Ų | 135 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | | | | 59.7 | 150.2 | 125.7 | -63.5 | -58.4 | 0 | 0 | 0 | 122.1 | | |
| 935 | N | 37.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | | | cis | -154.4 | 157.9 | 8 | -123.3 | 1.2 | 0 | 0 | 0 | 116.1 | | |
| 936 | D | 36.1 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | | | trans | -47.2 | 147.9 | 176.1 | -49.2 | -48.7 | 0 | 0 | 0 | 121 | | |
| 937 | N | 36.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | | | | 175.7 | 130 | 120.1 | -93.5 | -63.3 | 0 | 0 | 0 | 108.8 | | |
| 938 | I | 32.5 | Very low | 34.3 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | | | | 62.9 | 125 | 57.7 | -53.4 | 171.9 | 0 | 0 | 0 | 112.1 | | |
| 939 | G | 35.6 | Very low | 34.4 | Very low | 58 Ų | 58 | 131.6 Ų | 131.6 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | | | cis | 161.2 | 165.5 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 940 | N | 32.5 | Very low | 34.5 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | | | trans | 66.2 | 163.6 | 174.9 | -58.8 | -23.9 | 0 | 0 | 0 | 115.4 | | |
| 941 | L | 34.1 | Very low | 34.4 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | | | cis | -142.8 | 168.2 | 15.7 | -171.1 | 59.1 | 0 | 0 | 0 | 112.4 | | |
| 942 | F | 31.4 | Very low | 34.3 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | | | trans | -53.8 | 164.8 | 164.6 | -75.3 | -117.1 | 0 | 0 | 0 | 111.2 | | |
| 943 | Q | 34.1 | Very low | 34.3 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | | | cis | -171.3 | 158.9 | 48.5 | -144.7 | 120.5 | 0.7 | 0 | 0 | 113.7 | | |
| 944 | D | 34.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | trans | 67.5 | 121 | 141.8 | -76.8 | 18.1 | 0 | 0 | 0 | 126 | | |
| 945 | N | 32.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | | 81.8 | 103.4 | 125 | -65.8 | -29.3 | 0 | 0 | 0 | 123.3 | | |
| 946 | S | 32.2 | Very low | 33.2 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | | | | 50 | 119.8 | 126.1 | 67.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 947 | N | 35.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | | -168.9 | 143.2 | 99.7 | -92.6 | -45.4 | 0 | 0 | 0 | 110.7 | | |
| 948 | G | 32.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -113.5 | 157.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 949 | N | 34.7 | Very low | 32.7 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | | | trans | -151.7 | 152.2 | 161 | -108.1 | -44.2 | 0 | 0 | 0 | 111.7 | | |
| 950 | S | 32.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -58.5 | 154.5 | -175.1 | -150.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 951 | S | 32.5 | Very low | 32.7 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | | 176.7 | 154.1 | 53.9 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 952 | T | 31.9 | Very low | 32.6 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | 59.9 | 144.6 | 159.2 | 8.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 953 | V | 33.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | cis | -149.2 | 146.7 | 37.4 | 172 | 0 | 0 | 0 | 0 | 111.5 | | |
| 954 | N | 30.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | 22.2 | 108.4 | 159.4 | -52.5 | -15.4 | 0 | 0 | 0 | 120.4 | | |
| 955 | N | 30.2 | Very low | 32.7 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | -161.8 | 71.2 | 144.6 | -108.7 | -45 | 0 | 0 | 0 | 111.7 | R957 | N955-R957 PolarHBondContact O-N 2.95Š|
| 956 | L | 31.4 | Very low | 32.7 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -77.9 | 68.8 | 178.5 | -85.1 | 169.6 | 0 | 0 | 0 | 112.7 | Y958 | L956-Y958 HydrophobicContact CB-CE2 4.49Å; L956-Y958 PolarHBondContact O-N 3.49Å |
| 957 | R | 30.3 | Very low | 32.8 | Very low | 231 Ų | 231 | 144.3 Ų | 144.3 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | -66 | 103.9 | 159.8 | 172 | -176.6 | -85.8 | -169.3 | -7 | 108.1 | N955 | N955-R957 PolarHBondContact O-N 2.95Š|
| 958 | Y | 31.3 | Very low | 32.8 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 141.6 | 174.2 | -85.8 | -88.7 | 0 | 0 | 0 | 111.2 | L956 | L956-Y958 HydrophobicContact CB-CE2 4.49Å; L956-Y958 PolarHBondContact O-N 3.49Å |
| 959 | P | 33.5 | Very low | 32.7 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 59% | 0.591 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 145.5 | -162 | 33 | -36.3 | 0 | 0 | 0 | 114 | M961 | P959-M961 HydrophobicContact CB-CE 4.23Å; P959-M961 HydrophobicContact CG-CE 4.48Å; P959-M961 PolarHBondContact O-N 3.04Å |
| 960 | T | 32.7 | Very low | 32.7 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.8 | 160.2 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 961 | M | 35.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 143.5 | 170.8 | -76 | -72.2 | 104.8 | 0 | 0 | 110.9 | P959 | P959-M961 HydrophobicContact CB-CE 4.23Å; P959-M961 HydrophobicContact CG-CE 4.48Å; P959-M961 PolarHBondContact O-N 3.04Å |
| 962 | P | 33.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 154.6 | -175.1 | 31.5 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 963 | V | 31.1 | Very low | 33.3 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 116.1 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 964 | N | 34 | Very low | 33.3 | Very low | 161 Ų | 161 | 156 Ų | 156 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -170.9 | 97.1 | 154.4 | -95.8 | -23.5 | 0 | 0 | 0 | 109.7 | | |
| 965 | D | 35 | Very low | 33.4 | Very low | 160 Ų | 160 | 156.9 Ų | 156.9 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | | -165.6 | 138.3 | 120.5 | -131.9 | -36.9 | 0 | 0 | 0 | 112 | | |
| 966 | M | 32 | Very low | 33.6 | Very low | 171 Ų | 171 | 160 Ų | 160 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | -115.2 | 39.4 | -161.6 | -164.6 | 176.8 | 55.2 | 0 | 0 | 113.5 | | |
| 967 | H | 34.3 | Very low | 33.7 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | | | trans | -135.9 | 34.2 | -166 | -106.1 | -83.1 | 0 | 0 | 0 | 118.6 | | |
| 968 | L | 35.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | | | trans | -132.9 | 15.3 | 171.4 | -145.1 | 68.6 | 0 | 0 | 0 | 117.8 | K970 I972 | L968-K970 PolarHBondContact O-N 3.29Å; L968-I972 HydrophobicContact CD2-CD1 4.49Å |
| 969 | S | 30 | Very low | 33.9 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 61.9 | 175.6 | -75.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 970 | K | 36.1 | Very low | 34.2 | Very low | 214 Ų | 214 | 154 Ų | 154 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.7 | -14.8 | 164.9 | -114.5 | 163.5 | -172.5 | 177.1 | 0 | 116.7 | L968 | L968-K970 PolarHBondContact O-N 3.29Š|
| 971 | A | 36.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 153.5 Ų | 153.5 | 60% | 0.595 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -95.7 | -23.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | R973 | A971-R973 PolarHBondContact O-N 3Š|
| 972 | I | 36.1 | Very low | 34.3 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 56.3 | -169.4 | -41.7 | -178.4 | 0 | 0 | 0 | 111.9 | L968 | L968-I972 HydrophobicContact CD2-CD1 4.49Š|
| 973 | R | 35.7 | Very low | 34.3 | Very low | 249 Ų | 249 | 155.1 Ų | 155.1 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 10 | 170.2 | -85.9 | -163.1 | 174.1 | -156.7 | 0.2 | 114.7 | A971 | A971-R973 PolarHBondContact O-N 3Š|
| 974 | Q | 34.3 | Very low | 34.5 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -125.9 | 153.8 | 169.9 | -67 | 173.7 | -15.5 | 0 | 0 | 107.9 | | |
| 975 | N | 33 | Very low | 34.5 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 88.6 | 8.7 | -178.8 | -55.5 | -22.6 | 0 | 0 | 0 | 120.4 | | |
| 976 | Y | 34.1 | Very low | 34.3 | Very low | 230 Ų | 230 | 156.4 Ų | 156.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -126.7 | 43.3 | 164.9 | -79.1 | -74.5 | 0 | 0 | 0 | 113.8 | | |
| 977 | L | 34.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | -124.9 | 91.3 | 161.9 | -97.2 | 84.9 | 0 | 0 | 0 | 109.9 | | |
| 978 | S | 33.2 | Very low | 34.3 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -167.8 | 154.2 | 154.4 | -84 | 0 | 0 | 0 | 0 | 109.7 | | |
| 979 | N | 30.8 | Very low | 34.1 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 71.6 | 77.1 | 179.1 | -55.2 | -5.3 | 0 | 0 | 0 | 116.5 | | |
| 980 | P | 40.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -61 | 130.5 | 142.4 | 30.8 | -32.1 | 0 | 0 | 0 | 108.7 | E982 | P980-E982 PolarHBondContact O-N 3.14Å; P980-E982 VanDerWaalsContact O-N 3.15Å |
| 981 | V | 34.7 | Very low | 33.9 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | | | trans | -78 | 101 | 170.6 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | M983 | V981-M983 PolarHBondContact O-N 3.08Å; V981-M983 VanDerWaalsContact O-N 3.15Å |
| 982 | E | 35.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | | | trans | -69.9 | 99.4 | 177.8 | -161.1 | 151.7 | -116.2 | 0 | 0 | 108.2 | R508 P980 D984 | R508-E982 IonicContact NH2-OE2 2.87Å; R508-E982 PolarHBondContact NH2-OE2 3.48Å; P980-E982 PolarHBondContact O-N 3.14Å; P980-E982 VanDerWaalsContact O-N 3.15Å; E982-D984 PolarHBondContact O-N 3.3Å |
| 983 | M | 33.8 | Very low | 33.4 | Very low | 169 Ų | 169 | 157 Ų | 157 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | | | trans | -81.9 | 52.5 | -175.6 | -98.8 | -74.3 | -59.6 | 0 | 0 | 111.7 | V981 | V981-M983 PolarHBondContact O-N 3.08Å; V981-M983 VanDerWaalsContact O-N 3.15Å |
| 984 | D | 34.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | | | trans | -98.1 | 105.7 | 179.8 | -73.4 | -17.5 | 0 | 0 | 0 | 111.5 | E982 Q986 | E982-D984 PolarHBondContact O-N 3.3Å; D984-Q986 PolarHBondContact O-N 2.93Å |
| 985 | E | 33.5 | Very low | 32.9 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | S | Bend | | 37.7 | 78.9 | 129.1 | -162.9 | 162.1 | -117.3 | 0 | 0 | 118.9 | | |
| 986 | Q | 31.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -174.3 | 75.3 | 138.3 | -103.3 | 154.9 | 95.5 | 0 | 0 | 113.4 | D984 | D984-Q986 PolarHBondContact O-N 2.93Š|
| 987 | Q | 33.2 | Very low | 32.7 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -131.2 | 43.4 | 160.7 | -77.9 | -162.3 | -8.1 | 0 | 0 | 113 | M989 | Q987-M989 PolarHBondContact O-N 3.34Š|
| 988 | T | 33.1 | Very low | 32.7 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | -64.6 | 80 | 142.9 | 20.4 | 0 | 0 | 0 | 0 | 108.5 | C990 | T988-C990 VanDerWaalsContact C-N 3.3Å; T988-C990 PolarHBondContact O-N 3.26Å |
| 989 | M | 32.1 | Very low | 32.7 | Very low | 157 Ų | 157 | 147 Ų | 147 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -68.5 | 93.6 | 166.7 | -84.3 | -154.1 | -65.1 | 0 | 0 | 108.9 | Q987 L991 | Q987-M989 PolarHBondContact O-N 3.34Å; M989-L991 VanDerWaalsContact C-N 3.34Å; M989-L991 PolarHBondContact O-N 3.16Å |
| 990 | C | 28.7 | Very low | 32.8 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 66% | 0.655 | 76% | 0.762 | S | S | * | * | | | trans | -64.5 | 91.4 | 172.5 | -64 | 0 | 0 | 0 | 0 | 110.3 | T988 T992 | T988-C990 VanDerWaalsContact C-N 3.3Å; T988-C990 PolarHBondContact O-N 3.26Å; C990-T992 PolarHBondContact O-N 2.86Å |
| 991 | L | 32.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -72.1 | 36.7 | 159.2 | -77.6 | 175.1 | 0 | 0 | 0 | 112 | M989 R993 | M989-L991 VanDerWaalsContact C-N 3.34Å; M989-L991 PolarHBondContact O-N 3.16Å; L991-R993 VanDerWaalsContact C-N 3.25Å; L991-R993 PolarHBondContact O-N 3.33Å |
| 992 | T | 30.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | | | trans | -91.5 | 64.5 | 160.8 | 55.3 | 0 | 0 | 0 | 0 | 107.9 | C990 N994 | C990-T992 PolarHBondContact O-N 2.86Å; T992-N994 PolarHBondContact O-N 2.98Å |
| 993 | R | 32.1 | Very low | 32.3 | Very low | 211 Ų | 211 | 145.7 Ų | 145.7 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -77.2 | 92.9 | 178.8 | -156 | 174.4 | -164.2 | 173.6 | 3.1 | 108.2 | L991 Y995 | L991-R993 VanDerWaalsContact C-N 3.25Å; L991-R993 PolarHBondContact O-N 3.33Å; R993-Y995 PolarHBondContact O-N 3.38Å |
| 994 | N | 28.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | -44 | 133.5 | 173.7 | -64 | -45.6 | 0 | 0 | 0 | 110.9 | T992 | T992-N994 PolarHBondContact O-N 2.98Š|
| 995 | Y | 30.8 | Very low | 32 | Very low | 229 Ų | 229 | 143.6 Ų | 143.6 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | | -147.6 | 138 | 128 | -103.2 | -67.9 | 0 | 0 | 0 | 111.3 | R993 | R993-Y995 PolarHBondContact O-N 3.38Š|
| 996 | S | 28.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | trans | -42.3 | 141.4 | -176.2 | -41.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 997 | N | 33.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | | 169.9 | 131.1 | 109.1 | -83.8 | -19.3 | 0 | 0 | 0 | 111.5 | | |
| 998 | H | 34.8 | Very low | 32 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | 47.9 | 144.8 | 154.1 | -68.4 | -99 | 0 | 0 | 0 | 120.4 | | |
| 999 | S | 34.4 | Very low | 32.2 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | cis | -166.5 | 170.2 | -16.9 | 43.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1000 | D | 32.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -49.8 | 145.6 | -172.1 | -43.3 | -78 | 0 | 0 | 0 | 116.5 | | |
| 1001 | C | 30.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | | -171.4 | 159.9 | 113 | -98.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1002 | S | 34.7 | Very low | 33 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -120.9 | 145.6 | -174 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1003 | S | 33.8 | Very low | 33.2 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | 35.3 | 129.7 | 143 | 64.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1004 | S | 32.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | | 124 | 160.3 | 118.9 | 77.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1005 | I | 29.8 | Very low | 33.7 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | 69.2 | 108.3 | 165.7 | -55.1 | 165.1 | 0 | 0 | 0 | 116.9 | | |
| 1006 | C | 32 | Very low | 33.8 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | | | | -157.4 | 144.1 | 110.6 | -132.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1007 | S | 32.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -109.1 | 136.9 | -170.4 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1008 | G | 36.1 | Very low | 34.1 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -136.5 | 71.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1009 | Q | 36.7 | Very low | 34.1 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 1.1 | 138.2 | 161.2 | -55.1 | 179.8 | 1.9 | 0 | 0 | 121.2 | | |
| 1010 | N | 33.7 | Very low | 34 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | 68.5 | 144.9 | 149.6 | -58.6 | -24.2 | 0 | 0 | 0 | 117.6 | | |
| 1011 | S | 40 | Very low | 33.7 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | cis | -153.4 | 172.6 | 8.9 | 46 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1012 | N | 34.9 | Very low | 33.9 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | | | trans | -68.7 | 126.6 | -176.7 | -65.8 | -11.8 | 0 | 0 | 0 | 114.9 | | |
| 1013 | C | 35.2 | Very low | 33.8 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | | | trans | -162.5 | 147.5 | 137.6 | 55 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1014 | G | 34.3 | Very low | 33.9 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | cis | 147 | 81.4 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1015 | S | 37.2 | Very low | 34 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | 71.4 | 115.2 | 159.5 | -53.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1016 | N | 33.2 | Very low | 34.3 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | 56 | 111.7 | 130 | -54.5 | -10.7 | 0 | 0 | 0 | 120.8 | | |
| 1017 | S | 34.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -125.5 | 135 | 134.8 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1018 | T | 32.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -107.2 | 130.2 | -170.4 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1019 | V | 34.8 | Very low | 34.6 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -133.8 | 121.1 | 164.2 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1020 | N | 32.8 | Very low | 34.4 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -13.9 | 123.7 | 178.6 | -65.6 | -21.7 | 0 | 0 | 0 | 119.3 | | |
| 1021 | C | 26.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | trans | -89.1 | 132 | 154.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1022 | S | 33.6 | Very low | 34.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -164.5 | 135.5 | 162.8 | -78.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1023 | S | 34.5 | Very low | 34.1 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | | | cis | -155 | 161.3 | -8.9 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1024 | Y | 34 | Very low | 34 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | | | trans | 63.6 | 132.2 | -175.8 | -48.4 | -86.5 | 0 | 0 | 0 | 115.3 | | |
| 1025 | G | 34.7 | Very low | 34 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | cis | 126.2 | 107.7 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1026 | R | 37.8 | Very low | 33.8 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | 64.7 | 144 | 164.5 | -63.7 | 169.5 | 177.6 | -107.8 | 8.3 | 116.1 | | |
| 1027 | E | 33.1 | Very low | 33.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 65% | 0.65 | 81% | 0.814 | S | S | * | * | | | cis | -150.2 | 129.8 | -5.4 | -103.6 | 143.5 | -152.1 | 0 | 0 | 105.1 | | |
| 1028 | A | 37.8 | Very low | 33.7 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | | 60.7 | 88.7 | 88 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1029 | I | 34.3 | Very low | 33.8 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | 32 | 97.7 | 143 | -49.8 | 168 | 0 | 0 | 0 | 117.6 | | |
| 1030 | V | 32.4 | Very low | 33.7 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 99% | 0.988 | 81% | 0.808 | S | S | * | * | | | | -154.9 | 0 | 123.8 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | V540 | V540-V1030 HydrophobicContact CG1-CG1 3.99Å; V540-V1030 HydrophobicContact CG2-CG1 4.45Å |