| 1 | M | 41.3 | Very low | 50.9 | Low | 242 Ų | 242 | 145.5 Ų | 145.5 | 100% | 1.192 | 81% | 0.811 | S | S | * | * | | | | 0 | 134.9 | 0 | -72.6 | 65.8 | 166.1 | 0 | 0 | 107.6 | | |
| 2 | A | 40.2 | Very low | 52.2 | Low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 137.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 3 | E | 46.3 | Very low | 52.5 | Low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 138.2 | 179.2 | -167.3 | 178.8 | 128.1 | 0 | 0 | 110.2 | | |
| 4 | A | 49.8 | Very low | 52.9 | Low | 77 Ų | 77 | 145.9 Ų | 145.9 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 144 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q6 | A4-Q6 PolarHBondContact O-N 3.48Š|
| 5 | P | 48.9 | Very low | 53.8 | Low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 131.8 | 179.7 | 28.7 | -34.2 | 0 | 0 | 0 | 111.1 | | |
| 6 | Q | 48.3 | Very low | 54 | Low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 130.5 | 177.2 | -63.4 | -170.6 | 4.3 | 0 | 0 | 111.1 | A4 | A4-Q6 PolarHBondContact O-N 3.48Š|
| 7 | V | 53.2 | Low | 54.5 | Low | 140 Ų | 140 | 145.8 Ų | 145.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 118.1 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | E9 | V7-E9 PolarHBondContact O-N 2.92Š|
| 8 | V | 53.4 | Low | 54.4 | Low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -79.7 | 114.5 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 9 | E | 48.5 | Very low | 54.4 | Low | 184 Ų | 184 | 148.9 Ų | 148.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 124.1 | 173.9 | -168.7 | 166.2 | -161.5 | 0 | 0 | 109.3 | V7 | V7-E9 PolarHBondContact O-N 2.92Š|
| 10 | I | 63.5 | Low | 54.3 | Low | 150 Ų | 150 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -99 | 119.9 | -178.4 | -62.1 | 169.3 | 0 | 0 | 0 | 107.7 | | |
| 11 | D | 66.8 | Low | 53.9 | Low | 101 Ų | 101 | 152.1 Ų | 152.1 | 54% | 0.54 | 81% | 0.809 | S | S | . | * | P | Polyproline II helix | trans | -58 | 121.5 | 180 | -172.6 | -13.6 | 0 | 0 | 0 | 111.6 | D13 | D11-D13 VanDerWaalsContact C-N 3.28Å; D11-D13 PolarHBondContact O-N 2.66Å; D11-D13 PolarHBondContact OD1-N 3.27Å |
| 12 | P | 65.8 | Low | 54.3 | Low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -15.3 | -179 | 29.5 | -35.8 | 0 | 0 | 0 | 114.6 | | |
| 13 | D | 56.3 | Low | 54.6 | Low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 6.9 | -178.5 | -90.3 | -16.4 | 0 | 0 | 0 | 113.9 | D11 E15 | D11-D13 VanDerWaalsContact C-N 3.28Å; D11-D13 PolarHBondContact O-N 2.66Å; D11-D13 PolarHBondContact OD1-N 3.27Å; D13-E15 PolarHBondContact O-N 3.21Å |
| 14 | F | 57.7 | Low | 54.9 | Low | 167 Ų | 167 | 143 Ų | 143 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | trans | -78.3 | 81.7 | -179 | -148.2 | -84.5 | 0 | 0 | 0 | 113 | | |
| 15 | E | 67.6 | Low | 55.2 | Low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -61.6 | 122.5 | 179.6 | -166.8 | 177.8 | -157 | 0 | 0 | 112 | D13 L17 | D13-E15 PolarHBondContact O-N 3.21Å; E15-L17 PolarHBondContact O-N 3.05Å; E15-L17 VanDerWaalsContact O-N 3.13Å |
| 16 | P | 56.8 | Low | 55.1 | Low | 114 Ų | 114 | 149.4 Ų | 149.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -77.1 | 106.1 | -173.9 | 29.1 | -34.2 | 0 | 0 | 0 | 112 | | |
| 17 | L | 62.6 | Low | 54.9 | Low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -45.6 | 126.4 | 174.2 | -80.3 | 130.6 | 0 | 0 | 0 | 112.5 | E15 R19 | E15-L17 PolarHBondContact O-N 3.05Å; E15-L17 VanDerWaalsContact O-N 3.13Å; L17-R19 PolarHBondContact O-N 3.07Å; L17-R19 VanDerWaalsContact O-N 3.1Å |
| 18 | P | 52.7 | Low | 54.7 | Low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 112.1 | -178.1 | 26.8 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 19 | R | 54.5 | Low | 54 | Low | 226 Ų | 226 | 153 Ų | 153 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 137 | 172.4 | -54.3 | -175 | -164.6 | -163.7 | 4.2 | 109.1 | L17 R21 | L17-R19 PolarHBondContact O-N 3.07Å; L17-R19 VanDerWaalsContact O-N 3.1Å; R19-R21 PolarHBondContact O-N 2.78Å |
| 20 | P | 52.9 | Low | 53.9 | Low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 129.8 | 179.8 | 23.4 | -33 | 0 | 0 | 0 | 110.4 | | |
| 21 | R | 43.9 | Very low | 52.7 | Low | 239 Ų | 239 | 151 Ų | 151 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139.6 | -178.2 | -76.7 | -177.9 | 161.4 | 173.2 | -4.9 | 110.7 | R19 | R19-R21 PolarHBondContact O-N 2.78Š|
| 22 | S | 50.5 | Low | 51.2 | Low | 93 Ų | 93 | 155.9 Ų | 155.9 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | | | trans | -14.5 | 125.2 | 168.2 | 52.3 | 0 | 0 | 0 | 0 | 116.7 | T24 | S22-T24 PolarHBondContact O-N 2.96Š|
| 23 | C | 47 | Very low | 49.5 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -65.9 | 77.6 | 161.3 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 24 | T | 52.3 | Low | 48.4 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | | | trans | -118 | 69.8 | 172.2 | -52.3 | 0 | 0 | 0 | 0 | 108.4 | S22 | S22-T24 PolarHBondContact O-N 2.96Š|
| 25 | W | 55.3 | Low | 47.2 | Very low | 219 Ų | 219 | 154.2 Ų | 154.2 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.4 | 166.2 | -70.2 | 101.4 | 0 | 0 | 0 | 109.2 | L27 | W25-L27 PolarHBondContact O-N 2.92Š|
| 26 | P | 47.4 | Very low | 45.5 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.6 | 165.4 | 28.8 | -31 | 0 | 0 | 0 | 108.3 | | |
| 27 | L | 44.5 | Very low | 44.4 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138 | 174.3 | -74.5 | 97.6 | 0 | 0 | 0 | 110 | W25 R29 | W25-L27 PolarHBondContact O-N 2.92Å; L27-R29 PolarHBondContact O-N 3.4Å |
| 28 | P | 48.1 | Very low | 42.9 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 136.5 | 167.8 | -23.9 | 34.1 | 0 | 0 | 0 | 110.9 | | |
| 29 | R | 39.2 | Very low | 41.9 | Very low | 231 Ų | 231 | 151.4 Ų | 151.4 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 125.2 | 174.8 | 173 | -174.7 | -91.9 | 169.5 | -8.2 | 108.7 | L27 E31 | L27-R29 PolarHBondContact O-N 3.4Å; R29-E31 PolarHBondContact O-N 3.34Å |
| 30 | P | 46.1 | Very low | 40.9 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.7 | 170.5 | 27.9 | -32.3 | 0 | 0 | 0 | 109.2 | | |
| 31 | E | 38.5 | Very low | 39.8 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134.6 | 169.5 | -70 | -155.9 | 93.3 | 0 | 0 | 110.4 | R29 S33 | R29-E31 PolarHBondContact O-N 3.34Å; E31-S33 PolarHBondContact O-N 3.48Å |
| 32 | F | 35.3 | Very low | 39.9 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -80.1 | 94.8 | 170.5 | -88.4 | -95.3 | 0 | 0 | 0 | 109.2 | Q34 | F32-Q34 PolarHBondContact O-N 3Š|
| 33 | S | 30.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -68.1 | 119.8 | 162.9 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | E31 | E31-S33 PolarHBondContact O-N 3.48Š|
| 34 | Q | 31.8 | Very low | 39 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -69.7 | 132.6 | 178.4 | -69.3 | 178.5 | -1.6 | 0 | 0 | 110.5 | F32 N36 | F32-Q34 PolarHBondContact O-N 3Å; Q34-N36 PolarHBondContact O-N 2.89Å |
| 35 | S | 33 | Very low | 38.1 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -77 | 104.8 | 172.9 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 36 | N | 32.4 | Very low | 36.8 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -105.9 | 123.5 | 161.9 | -88 | -6.7 | 0 | 0 | 0 | 110.1 | Q34 | Q34-N36 PolarHBondContact O-N 2.89Š|
| 37 | S | 33.8 | Very low | 36 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -107.3 | 111.7 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 38 | A | 31.8 | Very low | 35.4 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -158.5 | 97.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 39 | T | 31.1 | Very low | 34.7 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | 18.1 | 147.7 | 134 | -165.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 40 | S | 32.2 | Very low | 34.4 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | 95.2 | 94 | 149.3 | -54.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 41 | S | 31.4 | Very low | 33.9 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | 71.6 | 153.9 | 130.4 | -57.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 42 | P | 46.4 | Very low | 34.6 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -122.5 | 177.2 | -164.5 | 41.4 | -26.2 | 0 | 0 | 0 | 116.9 | | |
| 43 | A | 29.4 | Very low | 34.4 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | 83.4 | 160.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 44 | P | 48.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | cis | -136.9 | -176 | -26.7 | 29.7 | -7.8 | 0 | 0 | 0 | 115.6 | | |
| 45 | S | 32.4 | Very low | 34.6 | Very low | 123 Ų | 123 | 112 Ų | 112 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | 81.7 | 145.2 | 158.6 | -45.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 46 | G | 28.6 | Very low | 34.5 | Very low | 79 Ų | 79 | 111.6 Ų | 111.6 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | cis | 166.9 | 142.8 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 47 | G | 30.5 | Very low | 34.4 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | 83.6 | 158 | 163 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 48 | A | 32.1 | Very low | 34.2 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | cis | -170 | 162.2 | -17.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 49 | A | 33.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 111.1 Ų | 111.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | 69.6 | 146.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 50 | A | 33.2 | Very low | 34.5 | Very low | 84 Ų | 84 | 110.2 Ų | 110.2 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | cis | -165.1 | 126 | -15.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 51 | N | 36.2 | Very low | 34.5 | Very low | 158 Ų | 158 | 110.2 Ų | 110.2 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | | 64.2 | 155.3 | 96.7 | -82.2 | -22.6 | 0 | 0 | 0 | 117.6 | | |
| 52 | P | 52.9 | Low | 34.3 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | | | cis | -143.3 | 166.3 | -28.9 | 39.7 | -22.5 | 0 | 0 | 0 | 116 | | |
| 53 | D | 30.9 | Very low | 33.4 | Very low | 166 Ų | 166 | 109 Ų | 109 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | 159.2 | 136.9 | 142.3 | -95.3 | -31.8 | 0 | 0 | 0 | 109 | | |
| 54 | A | 33.4 | Very low | 33.3 | Very low | 93 Ų | 93 | 109.5 Ų | 109.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | cis | -143.9 | 170.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 55 | A | 32.2 | Very low | 32.3 | Very low | 103 Ų | 103 | 108.6 Ų | 108.6 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -55.9 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 56 | A | 32.1 | Very low | 32.4 | Very low | 105 Ų | 105 | 109.3 Ų | 109.3 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | cis | -171.5 | 167.7 | -16 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 57 | G | 30.4 | Very low | 32.4 | Very low | 76 Ų | 76 | 111.2 Ų | 111.2 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | cis | -167.6 | 165.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 58 | L | 28.1 | Very low | 32.5 | Very low | 162 Ų | 162 | 112 Ų | 112 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -92.1 | 176.6 | -174.4 | -92.8 | 168 | 0 | 0 | 0 | 111.9 | | |
| 59 | P | 42.7 | Very low | 32.7 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | | | cis | -128.6 | 157 | 44.3 | 18.3 | 8 | 0 | 0 | 0 | 115.5 | | |
| 60 | S | 26.9 | Very low | 32.8 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | cis | 92.9 | 148.5 | 46.4 | -158.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 61 | A | 32.5 | Very low | 32.8 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -124.9 | 160.1 | -153.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 62 | S | 28.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -172.4 | 128.7 | 153.8 | 50.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 63 | A | 26.5 | Very low | 31.4 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | | 91.1 | 146.9 | 57.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 64 | A | 27.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | 75.2 | 129.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 65 | A | 28.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | | | cis | 117.3 | 108.4 | 11.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 66 | V | 33.9 | Very low | 31 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | | | trans | -167.6 | 112.1 | 150 | -92.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 67 | S | 28.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | | 77.2 | 109.1 | 89.5 | -59.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 68 | A | 33.4 | Very low | 31 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -177.8 | 126.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 69 | D | 35.4 | Very low | 31 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -71.4 | 133.7 | 176.6 | -53.2 | -99.7 | 0 | 0 | 0 | 112.6 | | |
| 70 | F | 34.6 | Very low | 30.5 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | | | trans | -149.9 | 64.2 | 166.2 | -160.6 | -100.9 | 0 | 0 | 0 | 113.7 | | |
| 71 | M | 34 | Very low | 30.8 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 97% | 0.97 | 82% | 0.823 | S | S | * | * | | | trans | -144.9 | 72.8 | 157.9 | -83.2 | -157.9 | 165.3 | 0 | 0 | 110.9 | | |
| 72 | S | 30.8 | Very low | 30.6 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | | | trans | -158.2 | 145.7 | 156.4 | -156 | 0 | 0 | 0 | 0 | 110.8 | | |
| 73 | N | 28.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | | | trans | 69 | 103.4 | -172.5 | -52.9 | -69.1 | 0 | 0 | 0 | 116.1 | | |
| 74 | L | 30.6 | Very low | 32 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | | | | -156.4 | 112.8 | 104.1 | -126.9 | 71.3 | 0 | 0 | 0 | 109.3 | | |
| 75 | S | 28.8 | Very low | 32 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -141.2 | 144.3 | 171.9 | -169.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 76 | L | 30.5 | Very low | 32.2 | Very low | 125 Ų | 125 | 149 Ų | 149 | 65% | 0.654 | 82% | 0.818 | S | S | * | * | | | trans | 57.7 | 112.7 | -179.6 | -89.9 | 68.8 | 0 | 0 | 0 | 117 | E78 | L76-E78 HydrophobicContact CD2-CG 4.37Å; L76-E78 WeakPolarHBondContact CD2-OE2 3.34Å |
| 77 | L | 27.8 | Very low | 32.9 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 95% | 0.948 | 82% | 0.818 | S | S | * | * | | | trans | -105.1 | 105.7 | 130.3 | -76 | 172.3 | 0 | 0 | 0 | 106.7 | | |
| 78 | E | 33.3 | Very low | 33 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | | | trans | -89.6 | 126.3 | 154 | -94.1 | 178.7 | 95.6 | 0 | 0 | 107 | L76 | L76-E78 HydrophobicContact CD2-CG 4.37Å; L76-E78 WeakPolarHBondContact CD2-OE2 3.34Å |
| 79 | E | 28.6 | Very low | 32.9 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -102.2 | 114 | 171.1 | -176.8 | 176.9 | 95.3 | 0 | 0 | 106.9 | | |
| 80 | S | 31.3 | Very low | 32.7 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -140.2 | 131.8 | 171.9 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 81 | E | 33.3 | Very low | 32.5 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -72 | 149.2 | -163.4 | -58.8 | 169 | 103.3 | 0 | 0 | 114 | | |
| 82 | D | 28.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | -99 | 143.2 | 173.5 | -173.6 | -90.7 | 0 | 0 | 0 | 110.8 | | |
| 83 | F | 33.2 | Very low | 32.2 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -130.1 | 131.5 | 166.2 | -110.6 | -86.6 | 0 | 0 | 0 | 108.7 | | |
| 84 | P | 51.5 | Low | 32.3 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | | | trans | -97.2 | 142.8 | -159.2 | 35.4 | -36.1 | 0 | 0 | 0 | 114.5 | | |
| 85 | Q | 27.6 | Very low | 32.1 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | -157.8 | 131.6 | 140.9 | -127.9 | 173.8 | -76.5 | 0 | 0 | 113.8 | | |
| 86 | A | 33 | Very low | 32.1 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | | | trans | -105.8 | -172.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 87 | P | 48.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | cis | -130.7 | 174.2 | -9.5 | 40.2 | -24.4 | 0 | 0 | 0 | 114.4 | | |
| 88 | G | 29.9 | Very low | 31.9 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -175.5 | 93.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 89 | S | 32.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | 46.7 | 105.3 | 146.2 | 59.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 90 | V | 30 | Very low | 31.5 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | | 33.5 | 147.7 | 126.5 | -60.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 91 | A | 30.5 | Very low | 31.3 | Very low | 94 Ų | 94 | 117.8 Ų | 117.8 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | trans | 113.2 | 94.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 92 | A | 30.1 | Very low | 31.2 | Very low | 95 Ų | 95 | 113 Ų | 113 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | | 51.4 | 113.6 | 119.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 93 | A | 28.7 | Very low | 31.5 | Very low | 88 Ų | 88 | 112.9 Ų | 112.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | | 89.2 | 157.1 | 118.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 94 | V | 30.1 | Very low | 31.6 | Very low | 145 Ų | 145 | 107.3 Ų | 107.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | 63.3 | 118.2 | 168.4 | -76.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 95 | A | 27.2 | Very low | 30.6 | Very low | 100 Ų | 100 | 105.8 Ų | 105.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -78.6 | 151.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 96 | A | 28.9 | Very low | 31 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | | -176 | 134.1 | 124.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 97 | A | 26.6 | Very low | 30.9 | Very low | 98 Ų | 98 | 106.4 Ų | 106.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -10.6 | 146.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 98 | A | 26.3 | Very low | 30 | Very low | 98 Ų | 98 | 103.5 Ų | 103.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | | 102.4 | 128.7 | 129 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 99 | A | 26.4 | Very low | 30.1 | Very low | 94 Ų | 94 | 107.7 Ų | 107.7 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | 74.6 | 97.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 100 | A | 27.1 | Very low | 29.9 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | | 83.9 | 137.5 | 115.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 101 | A | 27.8 | Very low | 29.9 | Very low | 97 Ų | 97 | 111.6 Ų | 111.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | 80.3 | 107 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 102 | A | 32 | Very low | 29.7 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | | 38 | 111.5 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 103 | T | 34.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 111.2 Ų | 111.2 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | 12.7 | 122.2 | 132.2 | 52.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 104 | G | 33.9 | Very low | 30.7 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | | 88.5 | 84.2 | 114.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 105 | G | 31.2 | Very low | 30.8 | Very low | 70 Ų | 70 | 111.8 Ų | 111.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | | 81.9 | 113.7 | 106.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 106 | L | 35.2 | Very low | 30.9 | Very low | 164 Ų | 164 | 112.3 Ų | 112.3 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | 88.4 | 106.3 | 135.5 | -51 | -178 | 0 | 0 | 0 | 120 | | |
| 107 | C | 31 | Very low | 31 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | | | trans | 56.1 | 145.3 | 137.9 | 72.3 | 0 | 0 | 0 | 0 | 122 | | |
| 108 | G | 30.8 | Very low | 31.2 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 164.2 | -9.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 109 | D | 30.4 | Very low | 31.5 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 61.3 | 162.3 | 162.4 | -125.8 | -69.8 | 0 | 0 | 0 | 122 | | |
| 110 | F | 28.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 122.4 Ų | 122.4 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | 79.3 | 97 | 157.8 | -131.3 | -105.3 | 0 | 0 | 0 | 124 | | |
| 111 | Q | 30.8 | Very low | 32.6 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 60.6 | 126.5 | 133.1 | -133.5 | 68.9 | 17.4 | 0 | 0 | 122.9 | | |
| 112 | G | 26.7 | Very low | 33.7 | Very low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | | | trans | -86.5 | -147.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 113 | P | 52.9 | Low | 34.3 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | cis | -139.1 | -156.3 | 12.5 | 35.2 | -10.1 | 0 | 0 | 0 | 114.5 | | |
| 114 | E | 27.6 | Very low | 34.2 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 65.6 | 135.7 | 170.4 | -47 | -54.8 | 89.8 | 0 | 0 | 118.4 | | |
| 115 | A | 30.5 | Very low | 34.7 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | | | cis | 134.5 | 139.8 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 116 | S | 29.6 | Very low | 35.2 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | 84.3 | 95.4 | 157.1 | -52.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 117 | C | 30.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | | 41.4 | 124.8 | 123 | -49 | 0 | 0 | 0 | 0 | 121.8 | | |
| 118 | L | 30.9 | Very low | 36.8 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | | | | 170.5 | 147.6 | 110.9 | -87.5 | 163 | 0 | 0 | 0 | 113.1 | | |
| 119 | H | 33.5 | Very low | 36.9 | Very low | 182 Ų | 182 | 127.2 Ų | 127.2 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -85.8 | 167.4 | 166.7 | -83.8 | -161.4 | 0 | 0 | 0 | 110.3 | | |
| 120 | P | 45.6 | Very low | 37.7 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | | | cis | -142.3 | -172.5 | 29.9 | 37.5 | -13.6 | 0 | 0 | 0 | 118 | | |
| 121 | A | 31.6 | Very low | 37.9 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -79.1 | -173.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 122 | P | 50.2 | Low | 38.2 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | cis | -130.8 | -140.5 | 0.4 | 43.9 | -23.2 | 0 | 0 | 0 | 111.4 | | |
| 123 | P | 44.6 | Very low | 38.5 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | cis | -137.5 | 161.9 | -20.3 | 38.4 | -19.7 | 0 | 0 | 0 | 118.5 | | |
| 124 | Q | 33.1 | Very low | 37.6 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | 65.2 | 157.7 | 145.2 | -71.9 | -83.3 | -60.1 | 0 | 0 | 122.4 | | |
| 125 | P | 44.9 | Very low | 38.7 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -118.1 | 171.7 | -157.9 | 43.3 | -33.1 | 0 | 0 | 0 | 116.8 | | |
| 126 | P | 41.8 | Very low | 39.2 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -141.2 | 161.5 | 135.1 | 36.4 | -21.7 | 0 | 0 | 0 | 115.9 | | |
| 127 | P | 49.2 | Very low | 39.8 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -105 | -159.5 | 176.3 | 44.6 | -37.3 | 0 | 0 | 0 | 111.5 | | |
| 128 | P | 50.2 | Low | 41.3 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | cis | -125.9 | 177.7 | -26.9 | 25.1 | -3 | 0 | 0 | 0 | 113.8 | | |
| 129 | G | 32.3 | Very low | 42.1 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | -168.6 | 142.9 | 165 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 130 | P | 47.7 | Very low | 41.9 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -129.2 | 172.6 | -156.1 | 44.4 | -30.1 | 0 | 0 | 0 | 118.5 | | |
| 131 | L | 32.6 | Very low | 41.4 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | 78.1 | 112.7 | 159.9 | -53.2 | 178.2 | 0 | 0 | 0 | 120.8 | | |
| 132 | S | 35.7 | Very low | 41.6 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | | 168.6 | 125.9 | 101.4 | -73.9 | 0 | 0 | 0 | 0 | 117 | | |
| 133 | Q | 34.3 | Very low | 40.9 | Very low | 181 Ų | 181 | 121.4 Ų | 121.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | 9.1 | 130.1 | 147.7 | -46.4 | -179.7 | 19.2 | 0 | 0 | 122.9 | | |
| 134 | H | 34 | Very low | 40.9 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | | 155.4 | 143.5 | 106.9 | -157.4 | -92.6 | 0 | 0 | 0 | 114.1 | | |
| 135 | P | 49.5 | Very low | 41.3 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | | | trans | -94.4 | 172 | 174.7 | 41.3 | -39.5 | 0 | 0 | 0 | 112.9 | | |
| 136 | P | 41.6 | Very low | 41.1 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | -146.2 | -173.6 | 66.8 | 35.7 | -11.9 | 0 | 0 | 0 | 116 | | |
| 137 | V | 42 | Very low | 41 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -130 | 178.9 | 179.3 | -68 | 0 | 0 | 0 | 0 | 109.7 | | |
| 138 | P | 61.2 | Low | 40.7 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | cis | -127.9 | -152.5 | -3.7 | 32.8 | -6.6 | 0 | 0 | 0 | 110.5 | | |
| 139 | P | 47.9 | Very low | 40.5 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | cis | -143.4 | 176 | 4.9 | 44.6 | -24.5 | 0 | 0 | 0 | 120.3 | | |
| 140 | A | 30 | Very low | 41.1 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | 116.9 | 131.5 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 141 | A | 35 | Very low | 41 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | | | trans | 70.5 | 95.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 142 | A | 35.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | | | trans | -152 | 137 | 137.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 143 | G | 36.1 | Very low | 41.9 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 163.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 144 | P | 43.3 | Very low | 42.8 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 127.2 | 178.5 | 22.2 | -11.6 | 0 | 0 | 0 | 112.4 | | |
| 145 | L | 41.8 | Very low | 43.9 | Very low | 171 Ų | 171 | 123.5 Ų | 123.5 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 140.8 | 166.1 | -83.1 | 128.8 | 0 | 0 | 0 | 111.4 | G147 | L145-G147 PolarHBondContact O-N 3.44Å; L145-G147 VanDerWaalsContact O-N 3.12Å |
| 146 | A | 40.4 | Very low | 44.3 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -64.2 | 110.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q148 | A146-Q148 PolarHBondContact O-N 2.94Š|
| 147 | G | 41.4 | Very low | 45.9 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -70.4 | 122 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L145 P149 | L145-G147 PolarHBondContact O-N 3.44Å; L145-G147 VanDerWaalsContact O-N 3.12Å; G147-P149 WeakPolarHBondContact O-CD 3.5Å |
| 148 | Q | 41.5 | Very low | 47.9 | Very low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -52 | 119.9 | 165.8 | -81.9 | -81.7 | -6.4 | 0 | 0 | 110.1 | A146 R150 | A146-Q148 PolarHBondContact O-N 2.94Å; Q148-R150 PolarHBondContact O-N 3.45Å |
| 149 | P | 47.2 | Very low | 48.9 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | trans | -69.7 | 105.3 | 175.2 | 27.8 | -32 | 0 | 0 | 0 | 108.7 | G147 K151 | G147-P149 WeakPolarHBondContact O-CD 3.5Å; P149-K151 PolarHBondContact O-N 3.47Å |
| 150 | R | 43.8 | Very low | 50.7 | Low | 239 Ų | 239 | 123.6 Ų | 123.6 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | | | trans | -51.7 | 128.9 | 171.3 | -65.6 | -123.6 | -75 | -177.3 | -5.5 | 108 | Q148 S152 | Q148-R150 PolarHBondContact O-N 3.45Å; R150-S152 PolarHBondContact O-N 3.07Å |
| 151 | K | 45.7 | Very low | 53.6 | Low | 211 Ų | 211 | 120.3 Ų | 120.3 | 92% | 0.917 | 71% | 0.714 | S | S | * | * | | | trans | -72.8 | 60.9 | -173.2 | -146.7 | 100.3 | 73.2 | -175.5 | 0 | 111.3 | P149 S153 | P149-K151 PolarHBondContact O-N 3.47Å; K151-S153 PolarHBondContact O-N 3.48Å; K151-S153 VanDerWaalsContact O-N 3.12Å |
| 152 | S | 46.5 | Very low | 56.2 | Low | 113 Ų | 113 | 120.7 Ų | 120.7 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | | | trans | -70.7 | 104.8 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | R150 | R150-S152 PolarHBondContact O-N 3.07Š|
| 153 | S | 41.6 | Very low | 58.9 | Low | 98 Ų | 98 | 118.1 Ų | 118.1 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | | | trans | 31.1 | 106 | 168.9 | -163.6 | 0 | 0 | 0 | 0 | 116.1 | K151 S155 | K151-S153 PolarHBondContact O-N 3.48Å; K151-S153 VanDerWaalsContact O-N 3.12Å; S153-S155 PolarHBondContact O-N 3.46Å |
| 154 | S | 52 | Low | 61.6 | Low | 110 Ų | 110 | 117.2 Ų | 117.2 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | | | trans | -67.3 | 72.4 | 160.1 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | R156 | S154-R156 PolarHBondContact O-N 3.41Š|
| 155 | S | 57.3 | Low | 64.1 | Low | 94 Ų | 94 | 112.8 Ų | 112.8 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | | | trans | -57 | 106.7 | 160.3 | -179.1 | 0 | 0 | 0 | 0 | 105.6 | S153 R157 | S153-S155 PolarHBondContact O-N 3.46Å; S155-R157 PolarHBondContact O-N 2.82Å |
| 156 | R | 58.6 | Low | 66.7 | Low | 229 Ų | 229 | 105 Ų | 105 | 86% | 0.864 | 58% | 0.582 | S | S | * | * | | | trans | -51.2 | 104.9 | -168.7 | -74 | -169.9 | -101.3 | -132.9 | -0.7 | 109.1 | S154 N158 | S154-R156 PolarHBondContact O-N 3.41Å; R156-N158 PolarHBondContact O-N 3.2Å |
| 157 | R | 74.8 | Confident | 69.3 | Low | 178 Ų | 178 | 103.1 Ų | 103.1 | 67% | 0.672 | 56% | 0.558 | S | S | * | * | | | trans | -61.9 | 131.5 | 179.6 | -56 | 175.1 | 76.7 | -179.6 | 2.4 | 106.2 | S155 N162 | S155-R157 PolarHBondContact O-N 2.82Å; R157-N162 PolarHBondContact NE-OD1 2.96Å; R157-N162 PolarHBondContact NH2-ND2 2.91Å; R157-N162 PolarHBondContact NH2-OD1 2.96Å |
| 158 | N | 83.6 | Confident | 71.9 | Confident | 65 Ų | 65 | 100 Ų | 100 | 35% | 0.348 | 52% | 0.524 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 157.4 | 179.3 | -59.8 | -47.6 | 0 | 0 | 0 | 109 | R156 W160 G161 L163 | R156-N158 PolarHBondContact O-N 3.2Å; N158-W160 HydrophobicContact CB-CD2 3.61Å; N158-W160 HydrophobicContact CB-CE3 4Å; N158-W160 HydrophobicContact CB-CG 4.12Å; N158-W160 HydrophobicContact CB-CH2 3.94Å; N158-W160 HydrophobicContact CB-CZ2 3.54Å; N158-W160 HydrophobicContact CB-CZ3 4.15Å; N158-W160 PolarHBondContact O-N 3.02Å; N158-G161 WeakPolarHBondContact CB-O 3.34Å; N158-G161 PolarHBondContact N-O 2.94Å; N158-G161 PolarHBondContact O-N 2.99Å; N158-L163 PolarHBondContact ND2-O 2.88Å |
| 159 | A | 82.6 | Confident | 74.5 | Confident | 74 Ų | 74 | 91.7 Ų | 91.7 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y196 | A159-Y196 HydrophobicContact CB-CD1 4.43Å; A159-Y196 HydrophobicContact CB-CD2 3.42Å; A159-Y196 VanDerWaalsContact CB-CD2 3.42Å; A159-Y196 HydrophobicContact CB-CE1 4.37Å; A159-Y196 HydrophobicContact CB-CE2 3.35Å; A159-Y196 HydrophobicContact CB-CG 3.99Å |
| 160 | W | 86.6 | Confident | 76.8 | Confident | 46 Ų | 46 | 87.2 Ų | 87.2 | 17% | 0.174 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 14.1 | 172.6 | 58.9 | 84.3 | 0 | 0 | 0 | 114.3 | N158 L163 Y165 L168 V194 Y196 F197 | N158-W160 HydrophobicContact CB-CD2 3.61Å; N158-W160 HydrophobicContact CB-CE3 4Å; N158-W160 HydrophobicContact CB-CG 4.12Å; N158-W160 HydrophobicContact CB-CH2 3.94Å; N158-W160 HydrophobicContact CB-CZ2 3.54Å; N158-W160 HydrophobicContact CB-CZ3 4.15Å; N158-W160 PolarHBondContact O-N 3.02Å; W160-L163 PolarHBondContact NE1-O 3.13Å; W160-Y165 AromaticContact CH2-CE1 3.99Å; W160-Y165 HydrophobicContact CH2-CE1 3.99Å; W160-Y165 AromaticContact CH2-CE2 3.84Å; W160-Y165 HydrophobicContact CH2-CE2 3.84Å; W160-Y165 AromaticContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-OH 3.31Å; W160-Y165 WeakPolarHBondContact CH2-OH 3.19Å; W160-Y165 HydrophobicContact CZ2-CD1 4.3Å; W160-Y165 HydrophobicContact CZ2-CD2 4.32Å; W160-Y165 AromaticContact CZ2-CE1 3.89Å; W160-Y165 HydrophobicContact CZ2-CE1 3.89Å; W160-Y165 AromaticContact CZ2-CE2 3.89Å; W160-Y165 HydrophobicContact CZ2-CE2 3.89Å; W160-Y165 AromaticContact CZ2-CZ 3.68Å; W160-L168 HydrophobicContact CG-CD1 4.3Å; W160-V194 HydrophobicContact CB-CG1 3.38Å; W160-V194 HydrophobicContact CG-CG1 4.13Å; W160-Y196 AromaticContact CE3-CD1 3.53Å; W160-Y196 HydrophobicContact CE3-CD1 3.53Å; W160-Y196 AromaticContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CG 4.21Å; W160-Y196 HydrophobicContact CZ3-CD1 4.04Å; W160-Y196 AromaticContact CZ3-CE1 3.84Å; W160-Y196 HydrophobicContact CZ3-CE1 3.84Å; W160-F197 AromaticContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CZ 4.19Å; W160-F197 AromaticContact CE3-CE2 3.88Å; W160-F197 HydrophobicContact CE3-CE2 3.88Å; W160-F197 AromaticContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CG-CE2 4.43Å; W160-F197 HydrophobicContact CH2-CZ 4.18Å; W160-F197 HydrophobicContact CZ3-CE2 4.33Å; W160-F197 AromaticContact CZ3-CZ 3.69Å; W160-F197 HydrophobicContact CZ3-CZ 3.69Å |
| 161 | G | 89.8 | Confident | 79.3 | Confident | 26 Ų | 26 | 80.6 Ų | 80.6 | 27% | 0.268 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | 100.8 | -152.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N158 L163 | N158-G161 WeakPolarHBondContact CB-O 3.34Å; N158-G161 PolarHBondContact N-O 2.94Å; N158-G161 PolarHBondContact O-N 2.99Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.93Å |
| 162 | N | 90.3 | Very high | 81.7 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 61% | 0.61 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -84.5 | -3.1 | -171.6 | -67.4 | -14.6 | 0 | 0 | 0 | 114.6 | R157 | R157-N162 PolarHBondContact NE-OD1 2.96Å; R157-N162 PolarHBondContact NH2-ND2 2.91Å; R157-N162 PolarHBondContact NH2-OD1 2.96Å |
| 163 | L | 91.4 | Very high | 84.1 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | | | trans | -81.6 | 132.1 | -175.4 | -63.2 | 173.2 | 0 | 0 | 0 | 110.6 | N158 W160 G161 D167 L168 K171 | N158-L163 PolarHBondContact ND2-O 2.88Å; W160-L163 PolarHBondContact NE1-O 3.13Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.93Å; L163-D167 HydrophobicContact CB-CB 4.22Å; L163-D167 HydrophobicContact CD2-CB 3.98Å; L163-L168 HydrophobicContact CB-CD2 3.94Å; L163-L168 HydrophobicContact CB-CG 4.12Å; L163-L168 HydrophobicContact CD1-CD2 3.72Å; L163-L168 HydrophobicContact CG-CD2 4.48Å; L163-K171 HydrophobicContact CD1-CD 4.33Å |
| 164 | S | 94.3 | Very high | 86.7 | Confident | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | | | trans | -70.5 | 161 | 167.8 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | A166 D167 L168 | S164-A166 PolarHBondContact O-N 3.01Å; S164-D167 VanDerWaalsContact CB-OD2 3.22Å; S164-D167 WeakPolarHBondContact CB-OD2 3.16Å; S164-D167 PolarHBondContact N-OD2 3.05Å; S164-D167 PolarHBondContact O-N 3.31Å; S164-L168 PolarHBondContact O-N 3.25Å |
| 165 | Y | 95.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.5 | -39.2 | 168.8 | -77.1 | -63 | 0 | 0 | 0 | 111.5 | W160 D167 L168 I169 F197 I213 | W160-Y165 AromaticContact CH2-CE1 3.99Å; W160-Y165 HydrophobicContact CH2-CE1 3.99Å; W160-Y165 AromaticContact CH2-CE2 3.84Å; W160-Y165 HydrophobicContact CH2-CE2 3.84Å; W160-Y165 AromaticContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-OH 3.31Å; W160-Y165 WeakPolarHBondContact CH2-OH 3.19Å; W160-Y165 HydrophobicContact CZ2-CD1 4.3Å; W160-Y165 HydrophobicContact CZ2-CD2 4.32Å; W160-Y165 AromaticContact CZ2-CE1 3.89Å; W160-Y165 HydrophobicContact CZ2-CE1 3.89Å; W160-Y165 AromaticContact CZ2-CE2 3.89Å; W160-Y165 HydrophobicContact CZ2-CE2 3.89Å; W160-Y165 AromaticContact CZ2-CZ 3.68Å; Y165-D167 VanDerWaalsContact C-N 3.31Å; Y165-D167 PolarHBondContact O-N 3.33Å; Y165-L168 PolarHBondContact O-N 3.28Å; Y165-I169 WeakPolarHBondContact O-CB 3.19Å; Y165-I169 WeakPolarHBondContact O-CD1 3.47Å; Y165-I169 WeakPolarHBondContact O-CG1 3.28Å; Y165-I169 PolarHBondContact O-N 3.41Å; Y165-F197 HydrophobicContact CE1-CE2 4.41Å; Y165-F197 AromaticContact CE1-CZ 3.86Å; Y165-F197 HydrophobicContact CE1-CZ 3.86Å; Y165-I213 HydrophobicContact CD1-CD1 3.5Å; Y165-I213 VanDerWaalsContact CD1-CD1 3.5Å; Y165-I213 HydrophobicContact CE1-CD1 4.11Å; Y165-I213 HydrophobicContact CG-CD1 4.23Å |
| 166 | A | 95.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | S164 T170 N216 F223 | S164-A166 PolarHBondContact O-N 3.01Å; A166-T170 WeakPolarHBondContact O-CB 3.26Å; A166-T170 PolarHBondContact O-N 2.94Å; A166-T170 PolarHBondContact O-OG1 3.23Å; A166-N216 PolarHBondContact N-OD1 3.25Å; A166-F223 HydrophobicContact CB-CE2 4.36Å; A166-F223 HydrophobicContact CB-CZ 4.42Å; A166-F223 WeakPolarHBondContact O-CZ 3.21Å |
| 167 | D | 95.4 | Very high | 92.3 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73 | -39 | 179.3 | -52.1 | -45.7 | 0 | 0 | 0 | 111.5 | L163 S164 Y165 T170 K171 | L163-D167 HydrophobicContact CB-CB 4.22Å; L163-D167 HydrophobicContact CD2-CB 3.98Å; S164-D167 VanDerWaalsContact CB-OD2 3.22Å; S164-D167 WeakPolarHBondContact CB-OD2 3.16Å; S164-D167 PolarHBondContact N-OD2 3.05Å; S164-D167 PolarHBondContact O-N 3.31Å; Y165-D167 VanDerWaalsContact C-N 3.31Å; Y165-D167 PolarHBondContact O-N 3.33Å; D167-T170 WeakPolarHBondContact O-CB 3.49Å; D167-T170 PolarHBondContact O-N 3.09Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.19Å |
| 168 | L | 95.7 | Very high | 93 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174 | -66.4 | 179.7 | 0 | 0 | 0 | 111.6 | W160 L163 S164 Y165 T170 K171 A172 W189 M190 V194 | W160-L168 HydrophobicContact CG-CD1 4.3Å; L163-L168 HydrophobicContact CB-CD2 3.94Å; L163-L168 HydrophobicContact CB-CG 4.12Å; L163-L168 HydrophobicContact CD1-CD2 3.72Å; L163-L168 HydrophobicContact CG-CD2 4.48Å; S164-L168 PolarHBondContact O-N 3.25Å; Y165-L168 PolarHBondContact O-N 3.28Å; L168-T170 VanDerWaalsContact C-N 3.29Å; L168-T170 PolarHBondContact O-N 3.47Å; L168-K171 PolarHBondContact O-N 3.36Å; L168-A172 WeakPolarHBondContact O-CB 3.31Å; L168-A172 PolarHBondContact O-N 2.89Å; L168-W189 HydrophobicContact CB-CZ3 4.31Å; L168-W189 WeakPolarHBondContact O-CZ3 3.2Å; L168-M190 HydrophobicContact CB-CE 3.63Å; L168-M190 HydrophobicContact CB-SD 3.73Å; L168-M190 HydrophobicContact CD1-SD 3.98Å; L168-M190 HydrophobicContact CG-SD 4.46Å; L168-V194 HydrophobicContact CD1-CG2 4.23Å; L168-V194 HydrophobicContact CD2-CG2 3.83Å |
| 169 | I | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.8 | -65.1 | 160.3 | 0 | 0 | 0 | 110.4 | Y165 A172 I173 I186 M190 I213 N216 L217 F223 | Y165-I169 WeakPolarHBondContact O-CB 3.19Å; Y165-I169 WeakPolarHBondContact O-CD1 3.47Å; Y165-I169 WeakPolarHBondContact O-CG1 3.28Å; Y165-I169 PolarHBondContact O-N 3.41Å; I169-A172 WeakPolarHBondContact O-CB 3.17Å; I169-A172 PolarHBondContact O-N 3.12Å; I169-I173 HydrophobicContact CG2-CD1 3.94Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.88Å; I169-I186 HydrophobicContact CG1-CG2 4.28Å; I169-I186 HydrophobicContact CG2-CD1 4.44Å; I169-M190 HydrophobicContact CB-CE 4.46Å; I169-M190 HydrophobicContact CG1-CE 3.74Å; I169-I213 HydrophobicContact CD1-CD1 3.98Å; I169-I213 HydrophobicContact CD1-CG2 4.16Å; I169-I213 HydrophobicContact CG1-CD1 3.96Å; I169-I213 HydrophobicContact CG1-CG2 4.35Å; I169-N216 HydrophobicContact CD1-CB 3.65Å; I169-L217 HydrophobicContact CD1-CD2 4.45Å; I169-L217 HydrophobicContact CD1-CG 4.24Å; I169-L217 HydrophobicContact CG2-CD2 3.6Å; I169-L217 HydrophobicContact CG2-CG 4.47Å; I169-F223 HydrophobicContact CB-CE1 4.03Å; I169-F223 HydrophobicContact CB-CZ 3.78Å; I169-F223 HydrophobicContact CG2-CD1 3.95Å; I169-F223 HydrophobicContact CG2-CE1 3.4Å; I169-F223 VanDerWaalsContact CG2-CE1 3.4Å; I169-F223 HydrophobicContact CG2-CE2 4.26Å; I169-F223 HydrophobicContact CG2-CZ 3.58Å |
| 170 | T | 96.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -51.3 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | A166 D167 L168 A172 I173 E174 K222 L239 | A166-T170 WeakPolarHBondContact O-CB 3.26Å; A166-T170 PolarHBondContact O-N 2.94Å; A166-T170 PolarHBondContact O-OG1 3.23Å; D167-T170 WeakPolarHBondContact O-CB 3.49Å; D167-T170 PolarHBondContact O-N 3.09Å; L168-T170 VanDerWaalsContact C-N 3.29Å; L168-T170 PolarHBondContact O-N 3.47Å; T170-A172 VanDerWaalsContact C-N 3.32Å; T170-A172 PolarHBondContact O-N 3.48Å; T170-I173 PolarHBondContact O-N 3.36Å; T170-E174 HydrophobicContact CG2-CG 4.48Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.45Å; T170-E174 WeakPolarHBondContact O-CB 3.45Å; T170-E174 WeakPolarHBondContact O-CG 3.41Å; T170-E174 PolarHBondContact O-N 3.25Å; T170-K222 WeakPolarHBondContact OG1-CE 3.47Å; T170-K222 PolarHBondContact OG1-NZ 3.28Å; T170-L239 HydrophobicContact CG2-CD1 3.86Å; T170-L239 HydrophobicContact CG2-CD2 3.95Å |
| 171 | K | 95.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 51.9 Ų | 51.9 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 176.2 | -71.1 | -174 | 178.4 | -165.6 | 0 | 113.2 | L163 D167 L168 E174 S175 W189 | L163-K171 HydrophobicContact CD1-CD 4.33Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.19Å; L168-K171 PolarHBondContact O-N 3.36Å; K171-E174 PolarHBondContact O-N 2.93Å; K171-S175 WeakPolarHBondContact O-CB 3.41Å; K171-S175 PolarHBondContact O-N 3.07Å; K171-S175 PolarHBondContact O-OG 3.2Å; K171-W189 HydrophobicContact CB-CH2 3.69Å; K171-W189 HydrophobicContact CB-CZ2 3.89Å |
| 172 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -55.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L168 I169 T170 E174 S175 S176 L181 W189 | L168-A172 WeakPolarHBondContact O-CB 3.31Å; L168-A172 PolarHBondContact O-N 2.89Å; I169-A172 WeakPolarHBondContact O-CB 3.17Å; I169-A172 PolarHBondContact O-N 3.12Å; T170-A172 VanDerWaalsContact C-N 3.32Å; T170-A172 PolarHBondContact O-N 3.48Å; A172-E174 VanDerWaalsContact C-N 3.35Å; A172-E174 PolarHBondContact O-N 2.83Å; A172-S175 PolarHBondContact O-N 2.94Å; A172-S175 PolarHBondContact O-OG 2.9Å; A172-S176 PolarHBondContact O-N 2.84Å; A172-L181 HydrophobicContact CB-CD1 3.99Å; A172-L181 WeakPolarHBondContact O-CD1 3.46Å; A172-W189 VanDerWaalsContact CA-CE2 3.46Å; A172-W189 HydrophobicContact CB-CB 4.16Å; A172-W189 HydrophobicContact CB-CD2 3.42Å; A172-W189 VanDerWaalsContact CB-CD2 3.42Å; A172-W189 HydrophobicContact CB-CE3 3.52Å; A172-W189 HydrophobicContact CB-CG 3.69Å; A172-W189 HydrophobicContact CB-CZ2 4.44Å; A172-W189 HydrophobicContact CB-CZ3 4.1Å |
| 173 | I | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | -180 | -63.3 | 170.2 | 0 | 0 | 0 | 110.7 | I169 T170 S175 S176 K179 F223 W237 L239 | I169-I173 HydrophobicContact CG2-CD1 3.94Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.88Å; T170-I173 PolarHBondContact O-N 3.36Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 3.21Å; I173-S176 PolarHBondContact O-N 3.49Å; I173-S176 PolarHBondContact O-OG 3.37Å; I173-K179 WeakPolarHBondContact CG2-O 3.15Å; I173-F223 HydrophobicContact CD1-CD1 3.96Å; I173-F223 HydrophobicContact CD1-CE1 4.23Å; I173-W237 HydrophobicContact CD1-CB 4.4Å; I173-L239 HydrophobicContact CB-CD1 4.14Å; I173-L239 HydrophobicContact CB-CG 4.18Å; I173-L239 HydrophobicContact CD1-CG 4.34Å; I173-L239 HydrophobicContact CG2-CB 4.44Å; I173-L239 HydrophobicContact CG2-CD1 4.02Å; I173-L239 HydrophobicContact CG2-CG 3.92Å |
| 174 | E | 95.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 48.1 Ų | 48.1 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -32 | 176.1 | -76.4 | 172.1 | 173.5 | 0 | 0 | 113.9 | T170 K171 A172 S176 K179 L239 | T170-E174 HydrophobicContact CG2-CG 4.48Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.45Å; T170-E174 WeakPolarHBondContact O-CB 3.45Å; T170-E174 WeakPolarHBondContact O-CG 3.41Å; T170-E174 PolarHBondContact O-N 3.25Å; K171-E174 PolarHBondContact O-N 2.93Å; A172-E174 VanDerWaalsContact C-N 3.35Å; A172-E174 PolarHBondContact O-N 2.83Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.25Å; E174-K179 PolarHBondContact O-NZ 3.49Å; E174-L239 HydrophobicContact CG-CD1 3.63Å |
| 175 | S | 95.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 49 Ų | 49 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.4 | -16 | 177.6 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | K171 A172 I173 W189 | K171-S175 WeakPolarHBondContact O-CB 3.41Å; K171-S175 PolarHBondContact O-N 3.07Å; K171-S175 PolarHBondContact O-OG 3.2Å; A172-S175 PolarHBondContact O-N 2.94Å; A172-S175 PolarHBondContact O-OG 2.9Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 3.21Å; S175-W189 VanDerWaalsContact OG-CD1 3.32Å; S175-W189 PolarHBondContact OG-NE1 2.98Å |
| 176 | S | 95.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -76 | 137.6 | 174 | 74.2 | 0 | 0 | 0 | 0 | 111 | A172 I173 E174 E178 K179 R180 | A172-S176 PolarHBondContact O-N 2.84Å; I173-S176 PolarHBondContact O-N 3.49Å; I173-S176 PolarHBondContact O-OG 3.37Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.25Å; S176-E178 PolarHBondContact O-N 3.25Å; S176-K179 PolarHBondContact O-N 2.84Å; S176-K179 VanDerWaalsContact O-N 3.16Å; S176-K179 VanDerWaalsContact OG-CA 3.29Å; S176-K179 WeakPolarHBondContact OG-CA 3.2Å; S176-K179 PolarHBondContact OG-N 2.91Å; S176-R180 PolarHBondContact OG-N 3.15Å; S176-R180 VanDerWaalsContact OG-N 3.07Å; S176-R180 PolarHBondContact OG-O 3.23Å |
| 177 | A | 93.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 88% | 0.876 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K179 | A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.25Å |
| 178 | E | 91.3 | Very high | 95.4 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.4 | -178 | -56.7 | -172.6 | 144 | 0 | 0 | 113.8 | S176 R180 | S176-E178 PolarHBondContact O-N 3.25Å; E178-R180 HydrophobicContact CB-CG 3.73Å; E178-R180 PolarHBondContact O-N 2.89Å; E178-R180 VanDerWaalsContact O-N 3.08Å; E178-R180 IonicContact OE1-NH2 3.04Å; E178-R180 PolarHBondContact OE1-NH2 3.33Å; E178-R180 IonicContact OE2-CZ 3.23Å; E178-R180 VanDerWaalsContact OE2-CZ 3.23Å; E178-R180 IonicContact OE2-NE 3.51Å; E178-R180 PolarHBondContact OE2-NE 3.31Å; E178-R180 IonicContact OE2-NH2 2.89Å; E178-R180 PolarHBondContact OE2-NH2 3.39Å |
| 179 | K | 94.6 | Very high | 95.4 | Very high | 117 Ų | 117 | 52 Ų | 52 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 51.2 | 28.9 | -174.1 | -55.5 | -63.7 | 179.8 | 178.7 | 0 | 114.1 | I173 E174 S176 A177 | I173-K179 WeakPolarHBondContact CG2-O 3.15Å; E174-K179 PolarHBondContact O-NZ 3.49Å; S176-K179 PolarHBondContact O-N 2.84Å; S176-K179 VanDerWaalsContact O-N 3.16Å; S176-K179 VanDerWaalsContact OG-CA 3.29Å; S176-K179 WeakPolarHBondContact OG-CA 3.2Å; S176-K179 PolarHBondContact OG-N 2.91Å; A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.25Å |
| 180 | R | 94.4 | Very high | 95.4 | Very high | 80 Ų | 80 | 52 Ų | 52 | 30% | 0.302 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.6 | 178.7 | 69.5 | -174.9 | 177.6 | -174.4 | -5.6 | 110.1 | S176 E178 W236 W237 M238 | S176-R180 PolarHBondContact OG-N 3.15Å; S176-R180 VanDerWaalsContact OG-N 3.07Å; S176-R180 PolarHBondContact OG-O 3.23Å; E178-R180 HydrophobicContact CB-CG 3.73Å; E178-R180 PolarHBondContact O-N 2.89Å; E178-R180 VanDerWaalsContact O-N 3.08Å; E178-R180 IonicContact OE1-NH2 3.04Å; E178-R180 PolarHBondContact OE1-NH2 3.33Å; E178-R180 IonicContact OE2-CZ 3.23Å; E178-R180 VanDerWaalsContact OE2-CZ 3.23Å; E178-R180 IonicContact OE2-NE 3.51Å; E178-R180 PolarHBondContact OE2-NE 3.31Å; E178-R180 IonicContact OE2-NH2 2.89Å; E178-R180 PolarHBondContact OE2-NH2 3.39Å; R180-W236 HydrophobicContact CB-CB 4.44Å; R180-W236 HydrophobicContact CB-CE3 4.15Å; R180-W236 HydrophobicContact CG-CD2 4.1Å; R180-W236 HydrophobicContact CG-CE3 3.75Å; R180-W236 HydrophobicContact CG-CZ3 4.17Å; R180-W237 WeakPolarHBondContact CA-O 3.36Å; R180-M238 HydrophobicContact CB-CG 3.43Å; R180-M238 VanDerWaalsContact CB-CG 3.43Å; R180-M238 HydrophobicContact CB-SD 3.68Å |
| 181 | L | 96.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.2 | 175 | -71.9 | -177.5 | 0 | 0 | 0 | 110.9 | A172 Q185 I186 W237 | A172-L181 HydrophobicContact CB-CD1 3.99Å; A172-L181 WeakPolarHBondContact O-CD1 3.46Å; L181-Q185 HydrophobicContact CB-CB 4.31Å; L181-Q185 HydrophobicContact CD2-CB 3.93Å; L181-I186 HydrophobicContact CB-CD1 4.39Å; L181-I186 HydrophobicContact CB-CG1 3.83Å; L181-I186 HydrophobicContact CD1-CG1 4.11Å; L181-W237 PolarHBondContact N-O 2.93Å; L181-W237 WeakPolarHBondContact O-CB 3.49Å; L181-W237 PolarHBondContact O-N 3.17Å |
| 182 | T | 96.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 163.1 | 166.7 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | S184 Q185 I186 W236 | T182-S184 VanDerWaalsContact C-N 3.26Å; T182-S184 PolarHBondContact O-N 2.72Å; T182-Q185 PolarHBondContact O-N 3.12Å; T182-Q185 VanDerWaalsContact OG1-CD 3.31Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.48Å; T182-Q185 PolarHBondContact OG1-N 3.01Å; T182-Q185 PolarHBondContact OG1-OE1 2.98Å; T182-I186 WeakPolarHBondContact O-CG1 3.22Å; T182-I186 PolarHBondContact O-N 2.72Å; T182-I186 VanDerWaalsContact O-N 3.09Å; T182-W236 HydrophobicContact CG2-CD2 4.27Å; T182-W236 HydrophobicContact CG2-CE3 3.78Å; T182-W236 HydrophobicContact CG2-CH2 4.07Å; T182-W236 HydrophobicContact CG2-CZ3 3.67Å |
| 183 | L | 95.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -35.7 | 177.9 | -177.5 | 60.9 | 0 | 0 | 0 | 113.2 | I186 Y187 I213 R214 L217 | L183-I186 PolarHBondContact O-N 2.87Å; L183-Y187 HydrophobicContact CD1-CE1 3.83Å; L183-Y187 HydrophobicContact CD1-CE2 4.44Å; L183-Y187 HydrophobicContact CD2-CE2 4.5Å; L183-Y187 WeakPolarHBondContact CD2-OH 3.42Å; L183-Y187 HydrophobicContact CG-CE1 4.22Å; L183-Y187 HydrophobicContact CG-CE2 3.92Å; L183-Y187 WeakPolarHBondContact CG-OH 3.39Å; L183-Y187 WeakPolarHBondContact O-CD2 3.44Å; L183-Y187 PolarHBondContact O-N 3.38Å; L183-I213 HydrophobicContact CD1-CG2 4.32Å; L183-R214 HydrophobicContact CD1-CG 4.05Å; L183-R214 HydrophobicContact CD2-CG 4Å; L183-L217 HydrophobicContact CD1-CD1 3.59Å |
| 184 | S | 94.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 176 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | T182 I186 Y187 E188 | T182-S184 VanDerWaalsContact C-N 3.26Å; T182-S184 PolarHBondContact O-N 2.72Å; S184-I186 PolarHBondContact O-N 2.63Å; S184-Y187 WeakPolarHBondContact O-CA 3.48Å; S184-Y187 WeakPolarHBondContact O-CB 3.45Å; S184-Y187 PolarHBondContact O-N 3.29Å; S184-E188 WeakPolarHBondContact CB-OE1 3.38Å; S184-E188 PolarHBondContact O-N 3.39Å; S184-E188 PolarHBondContact OG-OE1 2.79Å |
| 185 | Q | 95.8 | Very high | 94.4 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -29.7 | -179.7 | -67.8 | 164.3 | -50.2 | 0 | 0 | 112.4 | L181 T182 W189 | L181-Q185 HydrophobicContact CB-CB 4.31Å; L181-Q185 HydrophobicContact CD2-CB 3.93Å; T182-Q185 PolarHBondContact O-N 3.12Å; T182-Q185 VanDerWaalsContact OG1-CD 3.31Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.48Å; T182-Q185 PolarHBondContact OG1-N 3.01Å; T182-Q185 PolarHBondContact OG1-OE1 2.98Å; Q185-W189 VanDerWaalsContact O-CB 3.26Å; Q185-W189 WeakPolarHBondContact O-CB 3.46Å; Q185-W189 PolarHBondContact O-N 2.82Å |
| 186 | I | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 171.2 | -64.5 | 168.3 | 0 | 0 | 0 | 110.3 | I169 L181 T182 L183 S184 W189 M190 I213 L217 W237 | I169-I186 HydrophobicContact CG1-CG2 4.28Å; I169-I186 HydrophobicContact CG2-CD1 4.44Å; L181-I186 HydrophobicContact CB-CD1 4.39Å; L181-I186 HydrophobicContact CB-CG1 3.83Å; L181-I186 HydrophobicContact CD1-CG1 4.11Å; T182-I186 WeakPolarHBondContact O-CG1 3.22Å; T182-I186 PolarHBondContact O-N 2.72Å; T182-I186 VanDerWaalsContact O-N 3.09Å; L183-I186 PolarHBondContact O-N 2.87Å; S184-I186 PolarHBondContact O-N 2.63Å; I186-W189 PolarHBondContact O-N 2.96Å; I186-M190 HydrophobicContact CG2-CE 3.97Å; I186-M190 VanDerWaalsContact O-CG 3.26Å; I186-M190 WeakPolarHBondContact O-CG 3.38Å; I186-M190 PolarHBondContact O-N 3.3Å; I186-I213 HydrophobicContact CG2-CG2 3.8Å; I186-L217 HydrophobicContact CD1-CD1 4.1Å; I186-L217 HydrophobicContact CD1-CD2 4.14Å; I186-W237 HydrophobicContact CD1-CB 4.07Å; I186-W237 HydrophobicContact CD1-CG 4.36Å |
| 187 | Y | 95 | Very high | 93.7 | Very high | 37 Ų | 37 | 60 Ų | 60 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.5 | -54.5 | -36.9 | 0 | 0 | 0 | 111.9 | L183 S184 W189 M190 V191 W209 K210 I213 R214 | L183-Y187 HydrophobicContact CD1-CE1 3.83Å; L183-Y187 HydrophobicContact CD1-CE2 4.44Å; L183-Y187 HydrophobicContact CD2-CE2 4.5Å; L183-Y187 WeakPolarHBondContact CD2-OH 3.42Å; L183-Y187 HydrophobicContact CG-CE1 4.22Å; L183-Y187 HydrophobicContact CG-CE2 3.92Å; L183-Y187 WeakPolarHBondContact CG-OH 3.39Å; L183-Y187 WeakPolarHBondContact O-CD2 3.44Å; L183-Y187 PolarHBondContact O-N 3.38Å; S184-Y187 WeakPolarHBondContact O-CA 3.48Å; S184-Y187 WeakPolarHBondContact O-CB 3.45Å; S184-Y187 PolarHBondContact O-N 3.29Å; Y187-W189 VanDerWaalsContact C-N 3.31Å; Y187-W189 PolarHBondContact O-N 2.99Å; Y187-M190 PolarHBondContact O-N 2.95Å; Y187-V191 WeakPolarHBondContact O-CG2 3.41Å; Y187-V191 PolarHBondContact O-N 3.13Å; Y187-V191 VanDerWaalsContact O-N 3.15Å; Y187-W209 HydrophobicContact CD1-CH2 4.47Å; Y187-W209 HydrophobicContact CD1-CZ3 4.07Å; Y187-K210 HydrophobicContact CD1-CB 4.21Å; Y187-K210 HydrophobicContact CD1-CD 4.42Å; Y187-K210 HydrophobicContact CD1-CG 3.82Å; Y187-K210 HydrophobicContact CD2-CD 4.25Å; Y187-K210 HydrophobicContact CE1-CB 3.74Å; Y187-K210 HydrophobicContact CE1-CG 3.88Å; Y187-K210 HydrophobicContact CE2-CD 4.42Å; Y187-K210 HydrophobicContact CG-CD 4.25Å; Y187-K210 HydrophobicContact CG-CG 4.14Å; Y187-I213 HydrophobicContact CD1-CG2 4.4Å; Y187-I213 HydrophobicContact CE1-CB 4.18Å; Y187-I213 HydrophobicContact CE1-CG2 4.09Å; Y187-R214 WeakPolarHBondContact OH-CG 3.09Å; Y187-R214 PolarHBondContact OH-NH1 2.91Å; Y187-R214 VanDerWaalsContact OH-NH1 3.17Å |
| 188 | E | 95 | Very high | 93.4 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 177 | -67.5 | 154.1 | -137.7 | 0 | 0 | 111.6 | S184 V191 K192 | S184-E188 WeakPolarHBondContact CB-OE1 3.38Å; S184-E188 PolarHBondContact O-N 3.39Å; S184-E188 PolarHBondContact OG-OE1 2.79Å; E188-V191 PolarHBondContact O-N 3.01Å; E188-K192 WeakPolarHBondContact O-CB 3.47Å; E188-K192 PolarHBondContact O-N 3.34Å |
| 189 | W | 95.9 | Very high | 93 | Very high | 35 Ų | 35 | 62 Ų | 62 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.5 | -173.4 | 98.4 | 0 | 0 | 0 | 112.3 | L168 K171 A172 S175 Q185 I186 Y187 V191 K192 S193 V194 | L168-W189 HydrophobicContact CB-CZ3 4.31Å; L168-W189 WeakPolarHBondContact O-CZ3 3.2Å; K171-W189 HydrophobicContact CB-CH2 3.69Å; K171-W189 HydrophobicContact CB-CZ2 3.89Å; A172-W189 VanDerWaalsContact CA-CE2 3.46Å; A172-W189 HydrophobicContact CB-CB 4.16Å; A172-W189 HydrophobicContact CB-CD2 3.42Å; A172-W189 VanDerWaalsContact CB-CD2 3.42Å; A172-W189 HydrophobicContact CB-CE3 3.52Å; A172-W189 HydrophobicContact CB-CG 3.69Å; A172-W189 HydrophobicContact CB-CZ2 4.44Å; A172-W189 HydrophobicContact CB-CZ3 4.1Å; S175-W189 VanDerWaalsContact OG-CD1 3.32Å; S175-W189 PolarHBondContact OG-NE1 2.98Å; Q185-W189 VanDerWaalsContact O-CB 3.26Å; Q185-W189 WeakPolarHBondContact O-CB 3.46Å; Q185-W189 PolarHBondContact O-N 2.82Å; I186-W189 PolarHBondContact O-N 2.96Å; Y187-W189 VanDerWaalsContact C-N 3.31Å; Y187-W189 PolarHBondContact O-N 2.99Å; W189-V191 VanDerWaalsContact C-N 3.34Å; W189-V191 PolarHBondContact O-N 3.17Å; W189-K192 PolarHBondContact O-N 3.3Å; W189-S193 VanDerWaalsContact CE2-OG 3.3Å; W189-S193 PolarHBondContact NE1-OG 3.5Å; W189-S193 VanDerWaalsContact O-CB 3.24Å; W189-S193 WeakPolarHBondContact O-CB 3.44Å; W189-S193 PolarHBondContact O-N 2.78Å; W189-S193 PolarHBondContact O-OG 2.85Å; W189-V194 HydrophobicContact CZ3-CG2 4.3Å |
| 190 | M | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 176.9 | -66.9 | -69.1 | 162 | 0 | 0 | 111 | L168 I169 I186 Y187 V194 F197 W209 I213 | L168-M190 HydrophobicContact CB-CE 3.63Å; L168-M190 HydrophobicContact CB-SD 3.73Å; L168-M190 HydrophobicContact CD1-SD 3.98Å; L168-M190 HydrophobicContact CG-SD 4.46Å; I169-M190 HydrophobicContact CB-CE 4.46Å; I169-M190 HydrophobicContact CG1-CE 3.74Å; I186-M190 HydrophobicContact CG2-CE 3.97Å; I186-M190 VanDerWaalsContact O-CG 3.26Å; I186-M190 WeakPolarHBondContact O-CG 3.38Å; I186-M190 PolarHBondContact O-N 3.3Å; Y187-M190 PolarHBondContact O-N 2.95Å; M190-V194 WeakPolarHBondContact O-CB 3.38Å; M190-V194 PolarHBondContact O-N 2.89Å; M190-F197 HydrophobicContact CB-CD2 4.4Å; M190-W209 HydrophobicContact CB-CH2 4.1Å; M190-W209 HydrophobicContact CB-CZ3 3.85Å; M190-W209 HydrophobicContact CG-CZ3 4.05Å; M190-I213 HydrophobicContact CE-CD1 3.76Å; M190-I213 HydrophobicContact CG-CD1 4.44Å; M190-I213 HydrophobicContact SD-CD1 4.29Å |
| 191 | V | 94.2 | Very high | 91.5 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 22% | 0.218 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | Y187 E188 W189 K198 G201 W209 | Y187-V191 WeakPolarHBondContact O-CG2 3.41Å; Y187-V191 PolarHBondContact O-N 3.13Å; Y187-V191 VanDerWaalsContact O-N 3.15Å; E188-V191 PolarHBondContact O-N 3.01Å; W189-V191 VanDerWaalsContact C-N 3.34Å; W189-V191 PolarHBondContact O-N 3.17Å; V191-K198 WeakPolarHBondContact O-CG 3.36Å; V191-G201 VanDerWaalsContact CG2-CA 3.49Å; V191-W209 HydrophobicContact CG2-CH2 3.99Å; V191-W209 HydrophobicContact CG2-CZ2 3.96Å |
| 192 | K | 93.1 | Very high | 90.4 | Very high | 169 Ų | 169 | 63.8 Ų | 63.8 | 74% | 0.735 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -72.2 | -39.7 | -178.3 | -171.7 | 173.9 | 65.3 | 173.9 | 0 | 113.7 | E188 W189 | E188-K192 WeakPolarHBondContact O-CB 3.47Å; E188-K192 PolarHBondContact O-N 3.34Å; W189-K192 PolarHBondContact O-N 3.3Å |
| 193 | S | 92.1 | Very high | 89.4 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -100.9 | -18.7 | -167 | -62.9 | 0 | 0 | 0 | 0 | 114.5 | W189 | W189-S193 VanDerWaalsContact CE2-OG 3.3Å; W189-S193 PolarHBondContact NE1-OG 3.5Å; W189-S193 VanDerWaalsContact O-CB 3.24Å; W189-S193 WeakPolarHBondContact O-CB 3.44Å; W189-S193 PolarHBondContact O-N 2.78Å; W189-S193 PolarHBondContact O-OG 2.85Å |
| 194 | V | 91.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | | | trans | -117.8 | 110 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | W160 L168 W189 M190 Y196 F197 | W160-V194 HydrophobicContact CB-CG1 3.38Å; W160-V194 HydrophobicContact CG-CG1 4.13Å; L168-V194 HydrophobicContact CD1-CG2 4.23Å; L168-V194 HydrophobicContact CD2-CG2 3.83Å; W189-V194 HydrophobicContact CZ3-CG2 4.3Å; M190-V194 WeakPolarHBondContact O-CB 3.38Å; M190-V194 PolarHBondContact O-N 2.89Å; V194-Y196 PolarHBondContact O-N 3.04Å; V194-F197 HydrophobicContact CB-CD2 3.88Å; V194-F197 HydrophobicContact CG1-CD2 3.65Å; V194-F197 HydrophobicContact CG1-CE2 4.06Å; V194-F197 PolarHBondContact O-N 3.49Å |
| 195 | P | 90.1 | Very high | 86.8 | Confident | 99 Ų | 99 | 73.2 Ų | 73.2 | 64% | 0.643 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -50.8 | -38.5 | -173.9 | -31.3 | 36.3 | 0 | 0 | 0 | 114.6 | F197 K198 | P195-F197 PolarHBondContact O-N 3.12Å; P195-K198 WeakPolarHBondContact O-CB 3.46Å; P195-K198 PolarHBondContact O-N 3.29Å |
| 196 | Y | 88.3 | Confident | 85.8 | Confident | 95 Ų | 95 | 70.1 Ų | 70.1 | 37% | 0.373 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -25.9 | 179.1 | 179.3 | -100.4 | 0 | 0 | 0 | 115.2 | A159 W160 V194 K200 | A159-Y196 HydrophobicContact CB-CD1 4.43Å; A159-Y196 HydrophobicContact CB-CD2 3.42Å; A159-Y196 VanDerWaalsContact CB-CD2 3.42Å; A159-Y196 HydrophobicContact CB-CE1 4.37Å; A159-Y196 HydrophobicContact CB-CE2 3.35Å; A159-Y196 HydrophobicContact CB-CG 3.99Å; W160-Y196 AromaticContact CE3-CD1 3.53Å; W160-Y196 HydrophobicContact CE3-CD1 3.53Å; W160-Y196 AromaticContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CG 4.21Å; W160-Y196 HydrophobicContact CZ3-CD1 4.04Å; W160-Y196 AromaticContact CZ3-CE1 3.84Å; W160-Y196 HydrophobicContact CZ3-CE1 3.84Å; V194-Y196 PolarHBondContact O-N 3.04Å; Y196-K200 HydrophobicContact CE1-CD 4.23Å; Y196-K200 WeakPolarHBondContact O-CD 3.34Å; Y196-K200 WeakPolarHBondContact O-CE 3.39Å |
| 197 | F | 88.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 73 Ų | 73 | 0% | 0.004 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -98.3 | -6.9 | -179.3 | -65.4 | -66.4 | 0 | 0 | 0 | 113.6 | W160 Y165 M190 V194 P195 D199 K200 G201 W209 | W160-F197 AromaticContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CZ 4.19Å; W160-F197 AromaticContact CE3-CE2 3.88Å; W160-F197 HydrophobicContact CE3-CE2 3.88Å; W160-F197 AromaticContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CG-CE2 4.43Å; W160-F197 HydrophobicContact CH2-CZ 4.18Å; W160-F197 HydrophobicContact CZ3-CE2 4.33Å; W160-F197 AromaticContact CZ3-CZ 3.69Å; W160-F197 HydrophobicContact CZ3-CZ 3.69Å; Y165-F197 HydrophobicContact CE1-CE2 4.41Å; Y165-F197 AromaticContact CE1-CZ 3.86Å; Y165-F197 HydrophobicContact CE1-CZ 3.86Å; M190-F197 HydrophobicContact CB-CD2 4.4Å; V194-F197 HydrophobicContact CB-CD2 3.88Å; V194-F197 HydrophobicContact CG1-CD2 3.65Å; V194-F197 HydrophobicContact CG1-CE2 4.06Å; V194-F197 PolarHBondContact O-N 3.49Å; P195-F197 PolarHBondContact O-N 3.12Å; F197-D199 PolarHBondContact O-N 2.98Å; F197-K200 CarbonylContact O-C 3.6Å; F197-K200 PolarHBondContact O-N 3.23Å; F197-K200 VanDerWaalsContact O-N 3.14Å; F197-G201 PolarHBondContact O-N 3.32Å; F197-W209 HydrophobicContact CD1-CB 4.41Å; F197-W209 AromaticContact CD1-CD1 3.96Å; F197-W209 AromaticContact CD1-CD2 3.81Å; F197-W209 HydrophobicContact CD1-CD2 3.81Å; F197-W209 AromaticContact CD1-CE2 3.93Å; F197-W209 HydrophobicContact CD1-CE3 4.35Å; F197-W209 AromaticContact CD1-CG 3.85Å; F197-W209 HydrophobicContact CD1-CG 3.85Å; F197-W209 AromaticContact CD1-NE1 3.99Å; F197-W209 HydrophobicContact CE1-CB 3.66Å; F197-W209 AromaticContact CE1-CD1 4Å; F197-W209 AromaticContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CE3 4.37Å; F197-W209 AromaticContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CZ-CB 4.37Å |
| 198 | K | 86.9 | Confident | 84.7 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 54% | 0.543 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.2 | -54.1 | 178.4 | -71.4 | 178.6 | 69.3 | -176.4 | 0 | 111.3 | V191 P195 K200 | V191-K198 WeakPolarHBondContact O-CG 3.36Å; P195-K198 WeakPolarHBondContact O-CB 3.46Å; P195-K198 PolarHBondContact O-N 3.29Å; K198-K200 PolarHBondContact O-N 2.75Å; K198-K200 VanDerWaalsContact O-N 3.14Å |
| 199 | D | 83.6 | Confident | 84.5 | Confident | 136 Ų | 136 | 69.3 Ų | 69.3 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 16.2 | -176.6 | -35.3 | -47.9 | 0 | 0 | 0 | 112.5 | F197 | F197-D199 PolarHBondContact O-N 2.98Š|
| 200 | K | 81.1 | Confident | 84.4 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 37% | 0.365 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 18.4 | -175.6 | -53.2 | -173.4 | -170.6 | -55.8 | 0 | 112.5 | Y196 F197 K198 S206 W209 | Y196-K200 HydrophobicContact CE1-CD 4.23Å; Y196-K200 WeakPolarHBondContact O-CD 3.34Å; Y196-K200 WeakPolarHBondContact O-CE 3.39Å; F197-K200 CarbonylContact O-C 3.6Å; F197-K200 PolarHBondContact O-N 3.23Å; F197-K200 VanDerWaalsContact O-N 3.14Å; K198-K200 PolarHBondContact O-N 2.75Å; K198-K200 VanDerWaalsContact O-N 3.14Å; K200-S206 PolarHBondContact O-OG 3.27Å; K200-W209 PolarHBondContact O-NE1 2.94Å |
| 201 | G | 75.9 | Confident | 84.4 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -85 | -35.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V191 F197 S206 K210 | V191-G201 VanDerWaalsContact CG2-CA 3.49Å; F197-G201 PolarHBondContact O-N 3.32Å; G201-S206 PolarHBondContact O-OG 3.49Å; G201-K210 PolarHBondContact O-NZ 3.29Å |
| 202 | D | 72.9 | Confident | 84.5 | Confident | 147 Ų | 147 | 74 Ų | 74 | 79% | 0.786 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -100 | -38.5 | -170.7 | 60.4 | -22.4 | 0 | 0 | 0 | 113.3 | | |
| 203 | S | 76.7 | Confident | 84.6 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -59.1 | 140.7 | -178.7 | -174 | 0 | 0 | 0 | 0 | 112.4 | S205 S206 | S203-S205 PolarHBondContact O-N 2.83Å; S203-S205 VanDerWaalsContact O-N 3.07Å; S203-S205 PolarHBondContact OG-OG 3.03Å; S203-S206 WeakPolarHBondContact O-CB 3.17Å; S203-S206 PolarHBondContact O-N 3.49Å; S203-S206 PolarHBondContact O-OG 2.7Å |
| 204 | N | 70.6 | Confident | 84.8 | Confident | 153 Ų | 153 | 68.1 Ų | 68.1 | 82% | 0.818 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -55.3 | -27.8 | 174.7 | -168 | 28.8 | 0 | 0 | 0 | 112.3 | S206 A207 | N204-S206 PolarHBondContact O-N 3Å; N204-A207 PolarHBondContact O-N 3.06Å |
| 205 | S | 65.8 | Low | 85.1 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -57.8 | -10.8 | 170.6 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | S203 A207 | S203-S205 PolarHBondContact O-N 2.83Å; S203-S205 VanDerWaalsContact O-N 3.07Å; S203-S205 PolarHBondContact OG-OG 3.03Å; S205-A207 PolarHBondContact O-N 3.37Å; S205-A207 VanDerWaalsContact O-N 3.14Å |
| 206 | S | 73.3 | Confident | 85.4 | Confident | 5 Ų | 5 | 68.4 Ų | 68.4 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -55.2 | -23.9 | 169.9 | -62.4 | 0 | 0 | 0 | 0 | 114.2 | K200 G201 S203 N204 G208 W209 K210 | K200-S206 PolarHBondContact O-OG 3.27Å; G201-S206 PolarHBondContact O-OG 3.49Å; S203-S206 WeakPolarHBondContact O-CB 3.17Å; S203-S206 PolarHBondContact O-N 3.49Å; S203-S206 PolarHBondContact O-OG 2.7Å; N204-S206 PolarHBondContact O-N 3Å; S206-G208 PolarHBondContact O-N 2.88Å; S206-G208 VanDerWaalsContact O-N 3.15Å; S206-W209 PolarHBondContact O-N 3.32Å; S206-K210 WeakPolarHBondContact O-CB 3.36Å; S206-K210 WeakPolarHBondContact O-CG 3.43Å; S206-K210 PolarHBondContact O-N 3.29Å; S206-K210 PolarHBondContact OG-NZ 3.29Å |
| 207 | A | 78.6 | Confident | 85.8 | Confident | 59 Ų | 59 | 64 Ų | 64 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.4 | -39.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N204 S205 N211 | N204-A207 PolarHBondContact O-N 3.06Å; S205-A207 PolarHBondContact O-N 3.37Å; S205-A207 VanDerWaalsContact O-N 3.14Å; A207-N211 VanDerWaalsContact O-CB 3.29Å; A207-N211 WeakPolarHBondContact O-CB 3.41Å; A207-N211 PolarHBondContact O-N 2.87Å |
| 208 | G | 89.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -55.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S206 N211 S212 | S206-G208 PolarHBondContact O-N 2.88Å; S206-G208 VanDerWaalsContact O-N 3.15Å; G208-N211 WeakPolarHBondContact O-CB 3.48Å; G208-N211 PolarHBondContact O-N 2.9Å; G208-S212 PolarHBondContact O-N 3.02Å; G208-S212 VanDerWaalsContact O-N 3.11Å; G208-S212 PolarHBondContact O-OG 3.38Å |
| 209 | W | 91.8 | Very high | 86.4 | Confident | 18 Ų | 18 | 67 Ų | 67 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.1 | -38.4 | -179 | 73.1 | -102.8 | 0 | 0 | 0 | 111.9 | Y187 M190 V191 F197 K200 S206 N211 S212 I213 | Y187-W209 HydrophobicContact CD1-CH2 4.47Å; Y187-W209 HydrophobicContact CD1-CZ3 4.07Å; M190-W209 HydrophobicContact CB-CH2 4.1Å; M190-W209 HydrophobicContact CB-CZ3 3.85Å; M190-W209 HydrophobicContact CG-CZ3 4.05Å; V191-W209 HydrophobicContact CG2-CH2 3.99Å; V191-W209 HydrophobicContact CG2-CZ2 3.96Å; F197-W209 HydrophobicContact CD1-CB 4.41Å; F197-W209 AromaticContact CD1-CD1 3.96Å; F197-W209 AromaticContact CD1-CD2 3.81Å; F197-W209 HydrophobicContact CD1-CD2 3.81Å; F197-W209 AromaticContact CD1-CE2 3.93Å; F197-W209 HydrophobicContact CD1-CE3 4.35Å; F197-W209 AromaticContact CD1-CG 3.85Å; F197-W209 HydrophobicContact CD1-CG 3.85Å; F197-W209 AromaticContact CD1-NE1 3.99Å; F197-W209 HydrophobicContact CE1-CB 3.66Å; F197-W209 AromaticContact CE1-CD1 4Å; F197-W209 AromaticContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CE3 4.37Å; F197-W209 AromaticContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CZ-CB 4.37Å; K200-W209 PolarHBondContact O-NE1 2.94Å; S206-W209 PolarHBondContact O-N 3.32Å; W209-N211 PolarHBondContact O-N 3.01Å; W209-S212 WeakPolarHBondContact O-CB 3.33Å; W209-S212 PolarHBondContact O-N 3.48Å; W209-S212 VanDerWaalsContact O-N 3.1Å; W209-I213 HydrophobicContact CE3-CG1 4.13Å; W209-I213 HydrophobicContact CZ3-CG1 4.33Å; W209-I213 PolarHBondContact O-N 2.67Å; W209-I213 VanDerWaalsContact O-N 3.08Å |
| 210 | K | 93.9 | Very high | 86.9 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 173.3 | -69.1 | 179.1 | 179.7 | 154.2 | 0 | 111.3 | Y187 G201 S206 R214 | Y187-K210 HydrophobicContact CD1-CB 4.21Å; Y187-K210 HydrophobicContact CD1-CD 4.42Å; Y187-K210 HydrophobicContact CD1-CG 3.82Å; Y187-K210 HydrophobicContact CD2-CD 4.25Å; Y187-K210 HydrophobicContact CE1-CB 3.74Å; Y187-K210 HydrophobicContact CE1-CG 3.88Å; Y187-K210 HydrophobicContact CE2-CD 4.42Å; Y187-K210 HydrophobicContact CG-CD 4.25Å; Y187-K210 HydrophobicContact CG-CG 4.14Å; G201-K210 PolarHBondContact O-NZ 3.29Å; S206-K210 WeakPolarHBondContact O-CB 3.36Å; S206-K210 WeakPolarHBondContact O-CG 3.43Å; S206-K210 PolarHBondContact O-N 3.29Å; S206-K210 PolarHBondContact OG-NZ 3.29Å; K210-R214 PolarHBondContact O-N 3.4Å; K210-R214 PolarHBondContact O-NH1 3.38Å |
| 211 | N | 94.6 | Very high | 87.4 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70 | -43 | 172.3 | -161.7 | 36.8 | 0 | 0 | 0 | 112.7 | A207 G208 W209 I213 R214 H215 | A207-N211 VanDerWaalsContact O-CB 3.29Å; A207-N211 WeakPolarHBondContact O-CB 3.41Å; A207-N211 PolarHBondContact O-N 2.87Å; G208-N211 WeakPolarHBondContact O-CB 3.48Å; G208-N211 PolarHBondContact O-N 2.9Å; W209-N211 PolarHBondContact O-N 3.01Å; N211-I213 PolarHBondContact O-N 3.31Å; N211-R214 PolarHBondContact O-N 2.87Å; N211-R214 VanDerWaalsContact O-N 3.13Å; N211-R214 PolarHBondContact OD1-NH2 3.44Å; N211-H215 PolarHBondContact O-N 3.31Å |
| 212 | S | 95.3 | Very high | 88.3 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.1 | -37.7 | 174.8 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | G208 W209 H215 N216 | G208-S212 PolarHBondContact O-N 3.02Å; G208-S212 VanDerWaalsContact O-N 3.11Å; G208-S212 PolarHBondContact O-OG 3.38Å; W209-S212 WeakPolarHBondContact O-CB 3.33Å; W209-S212 PolarHBondContact O-N 3.48Å; W209-S212 VanDerWaalsContact O-N 3.1Å; S212-H215 PolarHBondContact O-N 3.44Å; S212-N216 PolarHBondContact O-N 3.21Å; S212-N216 PolarHBondContact O-ND2 3.32Å |
| 213 | I | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -51.1 | 172.9 | -62.6 | -54.5 | 0 | 0 | 0 | 111.7 | Y165 I169 L183 I186 Y187 M190 W209 N211 H215 N216 L217 | Y165-I213 HydrophobicContact CD1-CD1 3.5Å; Y165-I213 VanDerWaalsContact CD1-CD1 3.5Å; Y165-I213 HydrophobicContact CE1-CD1 4.11Å; Y165-I213 HydrophobicContact CG-CD1 4.23Å; I169-I213 HydrophobicContact CD1-CD1 3.98Å; I169-I213 HydrophobicContact CD1-CG2 4.16Å; I169-I213 HydrophobicContact CG1-CD1 3.96Å; I169-I213 HydrophobicContact CG1-CG2 4.35Å; L183-I213 HydrophobicContact CD1-CG2 4.32Å; I186-I213 HydrophobicContact CG2-CG2 3.8Å; Y187-I213 HydrophobicContact CD1-CG2 4.4Å; Y187-I213 HydrophobicContact CE1-CB 4.18Å; Y187-I213 HydrophobicContact CE1-CG2 4.09Å; M190-I213 HydrophobicContact CE-CD1 3.76Å; M190-I213 HydrophobicContact CG-CD1 4.44Å; M190-I213 HydrophobicContact SD-CD1 4.29Å; W209-I213 HydrophobicContact CE3-CG1 4.13Å; W209-I213 HydrophobicContact CZ3-CG1 4.33Å; W209-I213 PolarHBondContact O-N 2.67Å; W209-I213 VanDerWaalsContact O-N 3.08Å; N211-I213 PolarHBondContact O-N 3.31Å; I213-H215 VanDerWaalsContact C-N 3.28Å; I213-H215 PolarHBondContact O-N 3.18Å; I213-N216 PolarHBondContact O-N 3.49Å; I213-N216 VanDerWaalsContact O-N 3.17Å; I213-L217 HydrophobicContact CG2-CD1 3.9Å; I213-L217 HydrophobicContact CG2-CG 4.45Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.07Å |
| 214 | R | 96.6 | Very high | 90.3 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 178.5 | -68.7 | -173.4 | -58.5 | -94.2 | 9.3 | 112.4 | L183 Y187 K210 N211 S218 | L183-R214 HydrophobicContact CD1-CG 4.05Å; L183-R214 HydrophobicContact CD2-CG 4Å; Y187-R214 WeakPolarHBondContact OH-CG 3.09Å; Y187-R214 PolarHBondContact OH-NH1 2.91Å; Y187-R214 VanDerWaalsContact OH-NH1 3.17Å; K210-R214 PolarHBondContact O-N 3.4Å; K210-R214 PolarHBondContact O-NH1 3.38Å; N211-R214 PolarHBondContact O-N 2.87Å; N211-R214 VanDerWaalsContact O-N 3.13Å; N211-R214 PolarHBondContact OD1-NH2 3.44Å; R214-S218 PolarHBondContact O-N 3.34Å; R214-S218 PolarHBondContact O-OG 3.08Å |
| 215 | H | 96.5 | Very high | 91.4 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 47% | 0.468 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.3 | 175.9 | 63 | 0 | 0 | 0 | 112.1 | N211 S212 I213 L217 S218 L219 | N211-H215 PolarHBondContact O-N 3.31Å; S212-H215 PolarHBondContact O-N 3.44Å; I213-H215 VanDerWaalsContact C-N 3.28Å; I213-H215 PolarHBondContact O-N 3.18Å; H215-L217 VanDerWaalsContact C-N 3.31Å; H215-L217 PolarHBondContact O-N 3.16Å; H215-S218 PolarHBondContact O-N 3.21Å; H215-S218 PolarHBondContact O-OG 2.71Å; H215-L219 WeakPolarHBondContact O-CB 3.29Å; H215-L219 PolarHBondContact O-N 2.89Å |
| 216 | N | 97.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 179.3 | -86.1 | -105.6 | 0 | 0 | 0 | 112.5 | A166 I169 S212 I213 S218 H220 F223 | A166-N216 PolarHBondContact N-OD1 3.25Å; I169-N216 HydrophobicContact CD1-CB 3.65Å; S212-N216 PolarHBondContact O-N 3.21Å; S212-N216 PolarHBondContact O-ND2 3.32Å; I213-N216 PolarHBondContact O-N 3.49Å; I213-N216 VanDerWaalsContact O-N 3.17Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.32Å; N216-H220 PolarHBondContact O-N 3.04Å; N216-F223 WeakPolarHBondContact O-CD2 3.33Å |
| 217 | L | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -33.6 | 176.8 | -74.5 | 169 | 0 | 0 | 0 | 113.1 | I169 L183 I186 I213 H215 F223 W237 | I169-L217 HydrophobicContact CD1-CD2 4.45Å; I169-L217 HydrophobicContact CD1-CG 4.24Å; I169-L217 HydrophobicContact CG2-CD2 3.6Å; I169-L217 HydrophobicContact CG2-CG 4.47Å; L183-L217 HydrophobicContact CD1-CD1 3.59Å; I186-L217 HydrophobicContact CD1-CD1 4.1Å; I186-L217 HydrophobicContact CD1-CD2 4.14Å; I213-L217 HydrophobicContact CG2-CD1 3.9Å; I213-L217 HydrophobicContact CG2-CG 4.45Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.07Å; H215-L217 VanDerWaalsContact C-N 3.31Å; H215-L217 PolarHBondContact O-N 3.16Å; L217-F223 HydrophobicContact CD2-CB 4.2Å; L217-F223 HydrophobicContact CD2-CD1 4.33Å; L217-F223 HydrophobicContact CD2-CD2 4.26Å; L217-F223 HydrophobicContact CD2-CG 4Å; L217-W237 HydrophobicContact CB-CD2 4.2Å; L217-W237 HydrophobicContact CB-CE3 4.03Å; L217-W237 HydrophobicContact CB-CH2 3.81Å; L217-W237 HydrophobicContact CB-CZ2 4Å; L217-W237 HydrophobicContact CB-CZ3 3.83Å; L217-W237 HydrophobicContact CD1-CD2 4.11Å; L217-W237 HydrophobicContact CD1-CG 4.24Å; L217-W237 HydrophobicContact CD1-CZ2 4.4Å; L217-W237 HydrophobicContact CD2-CB 4.18Å; L217-W237 HydrophobicContact CD2-CD2 3.81Å; L217-W237 HydrophobicContact CD2-CE3 3.84Å; L217-W237 HydrophobicContact CD2-CG 3.96Å; L217-W237 HydrophobicContact CD2-CZ3 4.47Å; L217-W237 HydrophobicContact CG-CD2 4.27Å; L217-W237 HydrophobicContact CG-CE3 4.41Å; L217-W237 WeakPolarHBondContact O-CZ3 3.26Å |
| 218 | S | 94.4 | Very high | 94.2 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -91.6 | -27.6 | 176.3 | 55.1 | 0 | 0 | 0 | 0 | 114 | R214 H215 N216 | R214-S218 PolarHBondContact O-N 3.34Å; R214-S218 PolarHBondContact O-OG 3.08Å; H215-S218 PolarHBondContact O-N 3.21Å; H215-S218 PolarHBondContact O-OG 2.71Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.32Å |
| 219 | L | 94.9 | Very high | 94 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | -179.8 | -177.5 | 71.2 | 0 | 0 | 0 | 112.7 | H215 | H215-L219 WeakPolarHBondContact O-CB 3.29Å; H215-L219 PolarHBondContact O-N 2.89Å |
| 220 | H | 93.4 | Very high | 93.4 | Very high | 69 Ų | 69 | 66.9 Ų | 66.9 | 32% | 0.319 | 35% | 0.346 | S | S | . | . | | | trans | -102.9 | 116.8 | -172.4 | -64.1 | -61.4 | 0 | 0 | 0 | 112.5 | N216 K222 F223 | N216-H220 PolarHBondContact O-N 3.04Å; H220-K222 HydrophobicContact CB-CD 4.47Å; H220-K222 HydrophobicContact CB-CG 4.02Å; H220-K222 PolarHBondContact O-N 3.08Å; H220-F223 HydrophobicContact CB-CD2 3.95Å; H220-F223 HydrophobicContact CB-CE2 4.03Å; H220-F223 PolarHBondContact O-N 3.1Å |
| 221 | S | 92.5 | Very high | 92.2 | Very high | 106 Ų | 106 | 72.2 Ų | 72.2 | 74% | 0.741 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -5 | 174.4 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | F223 N240 | S221-F223 PolarHBondContact O-N 3.33Å; S221-N240 PolarHBondContact O-ND2 3.43Å |
| 222 | K | 93.8 | Very high | 91.2 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 27% | 0.265 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20.1 | 167.9 | 81.6 | -178.4 | -58.6 | -167.6 | 0 | 112.4 | T170 H220 L239 N240 | T170-K222 WeakPolarHBondContact OG1-CE 3.47Å; T170-K222 PolarHBondContact OG1-NZ 3.28Å; H220-K222 HydrophobicContact CB-CD 4.47Å; H220-K222 HydrophobicContact CB-CG 4.02Å; H220-K222 PolarHBondContact O-N 3.08Å; K222-L239 WeakPolarHBondContact O-CA 3.31Å; K222-N240 PolarHBondContact O-N 3.49Å |
| 223 | F | 96.1 | Very high | 90.6 | Very high | 10 Ų | 10 | 76.6 Ų | 76.6 | 4% | 0.044 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.6 | 174.3 | -52.6 | -60.6 | 0 | 0 | 0 | 109.4 | A166 I169 I173 N216 L217 H220 S221 W237 M238 L239 | A166-F223 HydrophobicContact CB-CE2 4.36Å; A166-F223 HydrophobicContact CB-CZ 4.42Å; A166-F223 WeakPolarHBondContact O-CZ 3.21Å; I169-F223 HydrophobicContact CB-CE1 4.03Å; I169-F223 HydrophobicContact CB-CZ 3.78Å; I169-F223 HydrophobicContact CG2-CD1 3.95Å; I169-F223 HydrophobicContact CG2-CE1 3.4Å; I169-F223 VanDerWaalsContact CG2-CE1 3.4Å; I169-F223 HydrophobicContact CG2-CE2 4.26Å; I169-F223 HydrophobicContact CG2-CZ 3.58Å; I173-F223 HydrophobicContact CD1-CD1 3.96Å; I173-F223 HydrophobicContact CD1-CE1 4.23Å; N216-F223 WeakPolarHBondContact O-CD2 3.33Å; L217-F223 HydrophobicContact CD2-CB 4.2Å; L217-F223 HydrophobicContact CD2-CD1 4.33Å; L217-F223 HydrophobicContact CD2-CD2 4.26Å; L217-F223 HydrophobicContact CD2-CG 4Å; H220-F223 HydrophobicContact CB-CD2 3.95Å; H220-F223 HydrophobicContact CB-CE2 4.03Å; H220-F223 PolarHBondContact O-N 3.1Å; S221-F223 PolarHBondContact O-N 3.33Å; F223-W237 HydrophobicContact CB-CE3 4.2Å; F223-W237 HydrophobicContact CB-CZ3 4.47Å; F223-M238 WeakPolarHBondContact CA-O 3.43Å; F223-L239 HydrophobicContact CD1-CD2 3.91Å; F223-L239 HydrophobicContact CE1-CD2 3.7Å |
| 224 | I | 94.7 | Very high | 90.3 | Very high | 56 Ų | 56 | 79.5 Ų | 79.5 | 29% | 0.287 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.4 | 174.3 | 58.5 | 175.5 | 0 | 0 | 0 | 109.1 | V226 W237 M238 N240 | I224-V226 HydrophobicContact CD1-CG2 4.28Å; I224-V226 HydrophobicContact CG1-CG2 4.35Å; I224-W237 WeakPolarHBondContact O-CA 3.4Å; I224-M238 HydrophobicContact CD1-CB 4.27Å; I224-M238 HydrophobicContact CD1-CE 4.43Å; I224-M238 HydrophobicContact CG1-CB 3.86Å; I224-M238 PolarHBondContact N-O 3.11Å; I224-M238 PolarHBondContact O-N 3.26Å; I224-N240 HydrophobicContact CG2-CB 4.06Å |
| 225 | R | 95.4 | Very high | 90.3 | Very high | 153 Ų | 153 | 75.7 Ų | 75.7 | 58% | 0.577 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119 | 171.4 | -171.1 | -179.9 | 69 | 89.3 | 0.1 | 108.4 | S235 W236 W237 | R225-S235 PolarHBondContact NH1-OG 3.28Å; R225-W236 CarbonylContact C-O 3.48Å; R225-W236 WeakPolarHBondContact CA-O 3.42Å; R225-W237 HydrophobicContact CB-CD2 4.43Å; R225-W237 HydrophobicContact CB-CE3 4.03Å; R225-W237 HydrophobicContact CB-CH2 3.91Å; R225-W237 HydrophobicContact CB-CZ2 4.28Å; R225-W237 HydrophobicContact CB-CZ3 3.77Å; R225-W237 HydrophobicContact CG-CH2 4.32Å; R225-W237 HydrophobicContact CG-CZ2 4.2Å |
| 226 | V | 93.9 | Very high | 90.2 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | I224 S235 W236 M238 | I224-V226 HydrophobicContact CD1-CG2 4.28Å; I224-V226 HydrophobicContact CG1-CG2 4.35Å; V226-S235 WeakPolarHBondContact O-CB 3.29Å; V226-W236 PolarHBondContact N-O 3.21Å; V226-W236 PolarHBondContact O-N 2.96Å; V226-M238 HydrophobicContact CB-CE 3.91Å; V226-M238 HydrophobicContact CG1-CE 4.16Å; V226-M238 HydrophobicContact CG2-CE 3.45Å; V226-M238 VanDerWaalsContact CG2-CE 3.45Å |
| 227 | Q | 92.3 | Very high | 90.2 | Very high | 99 Ų | 99 | 73.3 Ų | 73.3 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | | | trans | -64.5 | 146 | -178.8 | -172.8 | 46.6 | 43.1 | 0 | 0 | 109.8 | S235 | Q227-S235 PolarHBondContact OE1-OG 3.33Š|
| 228 | N | 88.8 | Confident | 90.2 | Very high | 17 Ų | 17 | 75.7 Ų | 75.7 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | | | trans | -86.7 | 145.7 | 176.3 | -155.2 | -19.7 | 0 | 0 | 0 | 109.3 | G230 K233 S234 W236 | N228-G230 PolarHBondContact O-N 3.3Å; N228-G230 VanDerWaalsContact O-N 3.12Å; N228-K233 HydrophobicContact CB-CB 4.37Å; N228-S234 WeakPolarHBondContact CB-O 3.47Å; N228-S234 PolarHBondContact ND2-O 3.27Å; N228-W236 PolarHBondContact ND2-NE1 3.45Å; N228-W236 PolarHBondContact OD1-NE1 2.95Å |
| 229 | E | 85.9 | Confident | 90.2 | Very high | 172 Ų | 172 | 73.3 Ų | 73.3 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -60 | -24.2 | -175.9 | -50.5 | -54 | 125.8 | 0 | 0 | 113.1 | | |
| 230 | G | 79.2 | Confident | 90 | Very high | 32 Ų | 32 | 70.7 Ų | 70.7 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -94.8 | 122 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | N228 G232 K233 | N228-G230 PolarHBondContact O-N 3.3Å; N228-G230 VanDerWaalsContact O-N 3.12Å; G230-G232 PolarHBondContact O-N 3.21Å; G230-K233 WeakPolarHBondContact O-CB 3.48Å; G230-K233 PolarHBondContact O-N 3.48Å |
| 231 | T | 68.1 | Low | 89.6 | Confident | 154 Ų | 154 | 71.2 Ų | 71.2 | 95% | 0.945 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 124.7 | 170.3 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | K233 | T231-K233 PolarHBondContact O-N 3.09Š|
| 232 | G | 74.1 | Confident | 88.5 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 87% | 0.866 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | G230 | G230-G232 PolarHBondContact O-N 3.21Š|
| 233 | K | 82.1 | Confident | 87.1 | Confident | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -81 | 145 | 174.6 | -158.7 | 170.2 | -178.6 | 175.7 | 0 | 110.8 | N228 G230 T231 S235 | N228-K233 HydrophobicContact CB-CB 4.37Å; G230-K233 WeakPolarHBondContact O-CB 3.48Å; G230-K233 PolarHBondContact O-N 3.48Å; T231-K233 PolarHBondContact O-N 3.09Å; K233-S235 PolarHBondContact O-N 3.44Å |
| 234 | S | 91.3 | Very high | 85.4 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 137.4 | -177.9 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | N228 | N228-S234 WeakPolarHBondContact CB-O 3.47Å; N228-S234 PolarHBondContact ND2-O 3.27Å |
| 235 | S | 94.8 | Very high | 83.6 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 15% | 0.147 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 149.3 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 112 | R225 V226 Q227 K233 | R225-S235 PolarHBondContact NH1-OG 3.28Å; V226-S235 WeakPolarHBondContact O-CB 3.29Å; Q227-S235 PolarHBondContact OE1-OG 3.33Å; K233-S235 PolarHBondContact O-N 3.44Å |
| 236 | W | 95.5 | Very high | 81.5 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 12% | 0.117 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 142.7 | 169 | -63.2 | 108 | 0 | 0 | 0 | 110.7 | R180 T182 R225 V226 N228 | R180-W236 HydrophobicContact CB-CB 4.44Å; R180-W236 HydrophobicContact CB-CE3 4.15Å; R180-W236 HydrophobicContact CG-CD2 4.1Å; R180-W236 HydrophobicContact CG-CE3 3.75Å; R180-W236 HydrophobicContact CG-CZ3 4.17Å; T182-W236 HydrophobicContact CG2-CD2 4.27Å; T182-W236 HydrophobicContact CG2-CE3 3.78Å; T182-W236 HydrophobicContact CG2-CH2 4.07Å; T182-W236 HydrophobicContact CG2-CZ3 3.67Å; R225-W236 CarbonylContact C-O 3.48Å; R225-W236 WeakPolarHBondContact CA-O 3.42Å; V226-W236 PolarHBondContact N-O 3.21Å; V226-W236 PolarHBondContact O-N 2.96Å; N228-W236 PolarHBondContact ND2-NE1 3.45Å; N228-W236 PolarHBondContact OD1-NE1 2.95Å |
| 237 | W | 96.7 | Very high | 79.4 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 14% | 0.136 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.2 | 164.8 | -68 | 95.9 | 0 | 0 | 0 | 108.4 | I173 R180 L181 I186 L217 F223 I224 R225 | I173-W237 HydrophobicContact CD1-CB 4.4Å; R180-W237 WeakPolarHBondContact CA-O 3.36Å; L181-W237 PolarHBondContact N-O 2.93Å; L181-W237 WeakPolarHBondContact O-CB 3.49Å; L181-W237 PolarHBondContact O-N 3.17Å; I186-W237 HydrophobicContact CD1-CB 4.07Å; I186-W237 HydrophobicContact CD1-CG 4.36Å; L217-W237 HydrophobicContact CB-CD2 4.2Å; L217-W237 HydrophobicContact CB-CE3 4.03Å; L217-W237 HydrophobicContact CB-CH2 3.81Å; L217-W237 HydrophobicContact CB-CZ2 4Å; L217-W237 HydrophobicContact CB-CZ3 3.83Å; L217-W237 HydrophobicContact CD1-CD2 4.11Å; L217-W237 HydrophobicContact CD1-CG 4.24Å; L217-W237 HydrophobicContact CD1-CZ2 4.4Å; L217-W237 HydrophobicContact CD2-CB 4.18Å; L217-W237 HydrophobicContact CD2-CD2 3.81Å; L217-W237 HydrophobicContact CD2-CE3 3.84Å; L217-W237 HydrophobicContact CD2-CG 3.96Å; L217-W237 HydrophobicContact CD2-CZ3 4.47Å; L217-W237 HydrophobicContact CG-CD2 4.27Å; L217-W237 HydrophobicContact CG-CE3 4.41Å; L217-W237 WeakPolarHBondContact O-CZ3 3.26Å; F223-W237 HydrophobicContact CB-CE3 4.2Å; F223-W237 HydrophobicContact CB-CZ3 4.47Å; I224-W237 WeakPolarHBondContact O-CA 3.4Å; R225-W237 HydrophobicContact CB-CD2 4.43Å; R225-W237 HydrophobicContact CB-CE3 4.03Å; R225-W237 HydrophobicContact CB-CH2 3.91Å; R225-W237 HydrophobicContact CB-CZ2 4.28Å; R225-W237 HydrophobicContact CB-CZ3 3.77Å; R225-W237 HydrophobicContact CG-CH2 4.32Å; R225-W237 HydrophobicContact CG-CZ2 4.2Å |
| 238 | M | 95.4 | Very high | 77.6 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 26% | 0.256 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 157.2 | 177.3 | -58.1 | -158.4 | -78 | 0 | 0 | 110.2 | R180 F223 I224 V226 | R180-M238 HydrophobicContact CB-CG 3.43Å; R180-M238 VanDerWaalsContact CB-CG 3.43Å; R180-M238 HydrophobicContact CB-SD 3.68Å; F223-M238 WeakPolarHBondContact CA-O 3.43Å; I224-M238 HydrophobicContact CD1-CB 4.27Å; I224-M238 HydrophobicContact CD1-CE 4.43Å; I224-M238 HydrophobicContact CG1-CB 3.86Å; I224-M238 PolarHBondContact N-O 3.11Å; I224-M238 PolarHBondContact O-N 3.26Å; V226-M238 HydrophobicContact CB-CE 3.91Å; V226-M238 HydrophobicContact CG1-CE 4.16Å; V226-M238 HydrophobicContact CG2-CE 3.45Å; V226-M238 VanDerWaalsContact CG2-CE 3.45Å |
| 239 | L | 95.2 | Very high | 75.6 | Confident | 40 Ų | 40 | 85.2 Ų | 85.2 | 21% | 0.209 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 135 | 163.8 | -74.7 | 163.4 | 0 | 0 | 0 | 108.7 | T170 I173 E174 K222 F223 P241 | T170-L239 HydrophobicContact CG2-CD1 3.86Å; T170-L239 HydrophobicContact CG2-CD2 3.95Å; I173-L239 HydrophobicContact CB-CD1 4.14Å; I173-L239 HydrophobicContact CB-CG 4.18Å; I173-L239 HydrophobicContact CD1-CG 4.34Å; I173-L239 HydrophobicContact CG2-CB 4.44Å; I173-L239 HydrophobicContact CG2-CD1 4.02Å; I173-L239 HydrophobicContact CG2-CG 3.92Å; E174-L239 HydrophobicContact CG-CD1 3.63Å; K222-L239 WeakPolarHBondContact O-CA 3.31Å; F223-L239 HydrophobicContact CD1-CD2 3.91Å; F223-L239 HydrophobicContact CE1-CD2 3.7Å; L239-P241 WeakPolarHBondContact O-CD 3.26Å |
| 240 | N | 90.9 | Very high | 74 | Confident | 46 Ų | 46 | 82.1 Ų | 82.1 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | | | trans | -62.2 | 117.6 | 172.6 | -173.7 | -11 | 0 | 0 | 0 | 108.7 | S221 K222 I224 E242 G243 | S221-N240 PolarHBondContact O-ND2 3.43Å; K222-N240 PolarHBondContact O-N 3.49Å; I224-N240 HydrophobicContact CG2-CB 4.06Å; N240-E242 PolarHBondContact O-N 2.8Å; N240-E242 WeakPolarHBondContact OD1-CB 3.42Å; N240-E242 PolarHBondContact OD1-N 3.12Å; N240-E242 VanDerWaalsContact OD1-N 3.12Å; N240-G243 WeakPolarHBondContact O-CA 3.41Å; N240-G243 PolarHBondContact O-N 2.97Å |
| 241 | P | 84.6 | Confident | 72.9 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -60.1 | -30.9 | -180 | 24 | -33.4 | 0 | 0 | 0 | 112.1 | L239 G243 | L239-P241 WeakPolarHBondContact O-CD 3.26Å; P241-G243 VanDerWaalsContact C-N 3.32Å |
| 242 | E | 70.1 | Confident | 72.4 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -79.8 | -11.1 | 175.2 | -56.4 | -51.5 | 124.4 | 0 | 0 | 113.6 | N240 S246 | N240-E242 PolarHBondContact O-N 2.8Å; N240-E242 WeakPolarHBondContact OD1-CB 3.42Å; N240-E242 PolarHBondContact OD1-N 3.12Å; N240-E242 VanDerWaalsContact OD1-N 3.12Å; E242-S246 WeakPolarHBondContact CA-OG 3.33Å; E242-S246 PolarHBondContact O-OG 3.39Å; E242-S246 VanDerWaalsContact O-OG 3.07Å; E242-S246 PolarHBondContact OE2-OG 2.83Å |
| 243 | G | 63 | Low | 71.5 | Confident | 45 Ų | 45 | 102.8 Ų | 102.8 | 46% | 0.464 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -93.5 | -7.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N240 P241 | N240-G243 WeakPolarHBondContact O-CA 3.41Å; N240-G243 PolarHBondContact O-N 2.97Å; P241-G243 VanDerWaalsContact C-N 3.32Å |
| 244 | G | 61.1 | Low | 70.4 | Confident | 70 Ų | 70 | 101.1 Ų | 101.1 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -111.7 | -14 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 245 | K | 58.2 | Low | 68.3 | Low | 190 Ų | 190 | 102.3 Ų | 102.3 | 83% | 0.826 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -154.9 | -20.7 | -171.7 | 49.9 | -172.5 | 169.4 | -174.7 | 0 | 116.8 | G247 | K245-G247 PolarHBondContact O-N 3.4Š|
| 246 | S | 49.6 | Very low | 66.1 | Low | 54 Ų | 54 | 105.6 Ų | 105.6 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -83.3 | 102.5 | 169.2 | 24.9 | 0 | 0 | 0 | 0 | 109.9 | E242 K248 | E242-S246 WeakPolarHBondContact CA-OG 3.33Å; E242-S246 PolarHBondContact O-OG 3.39Å; E242-S246 VanDerWaalsContact O-OG 3.07Å; E242-S246 PolarHBondContact OE2-OG 2.83Å; S246-K248 PolarHBondContact O-N 2.74Å |
| 247 | G | 51.1 | Low | 64.2 | Low | 71 Ų | 71 | 111.9 Ų | 111.9 | 73% | 0.732 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -60.2 | 135.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K245 | K245-G247 PolarHBondContact O-N 3.4Š|
| 248 | K | 53.7 | Low | 61.9 | Low | 201 Ų | 201 | 116.7 Ų | 116.7 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | | | trans | 56.8 | 69.6 | 173.2 | -53.2 | 169.9 | -177.2 | 173.9 | 0 | 113.9 | S246 P250 | S246-K248 PolarHBondContact O-N 2.74Å; K248-P250 WeakPolarHBondContact O-CD 3.42Å; K248-P250 VanDerWaalsContact O-N 3.12Å |
| 249 | S | 46.7 | Very low | 59.6 | Low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | | | trans | -55.4 | 117.6 | 164.2 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | R251 | S249-R251 PolarHBondContact O-N 3.19Š|
| 250 | P | 53.3 | Low | 57.3 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | | | trans | -65.4 | 129.6 | 178.2 | -20.8 | 34.2 | 0 | 0 | 0 | 109.6 | K248 R252 | K248-P250 WeakPolarHBondContact O-CD 3.42Å; K248-P250 VanDerWaalsContact O-N 3.12Å; P250-R252 PolarHBondContact O-N 3.02Å |
| 251 | R | 55.2 | Low | 54.8 | Low | 242 Ų | 242 | 127.8 Ų | 127.8 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | | | trans | -54.4 | 106.1 | 172.2 | 176.5 | 174.9 | -75 | 167.9 | -4.3 | 108.2 | S249 R253 | S249-R251 PolarHBondContact O-N 3.19Å; R251-R253 PolarHBondContact O-N 3.23Å |
| 252 | R | 57.6 | Low | 53.2 | Low | 223 Ų | 223 | 132.3 Ų | 132.3 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.6 | -173.6 | -58.5 | -179.2 | 84.4 | -153.3 | 6.7 | 109.3 | P250 | P250-R252 PolarHBondContact O-N 3.02Š|
| 253 | R | 55.8 | Low | 52 | Low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.7 | 154.9 | -61.8 | -171.5 | -171.4 | 106.6 | -1.9 | 107.7 | R251 | R251-R253 PolarHBondContact O-N 3.23Š|
| 254 | A | 57.8 | Low | 51.3 | Low | 100 Ų | 100 | 138.7 Ų | 138.7 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S256 | A254-S256 PolarHBondContact O-N 3.42Š|
| 255 | A | 47.5 | Very low | 50.3 | Low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70 | 126.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 256 | S | 50.2 | Low | 49.8 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61 | 145.1 | 161.2 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | A254 D258 | A254-S256 PolarHBondContact O-N 3.42Å; S256-D258 PolarHBondContact OG-OD1 2.87Å; S256-D258 VanDerWaalsContact OG-OD1 3.09Å |
| 257 | M | 54.4 | Low | 49.3 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -89.2 | 101 | 172.4 | -84.8 | 172.8 | 46.7 | 0 | 0 | 110.1 | N259 | M257-N259 PolarHBondContact O-N 3.43Š|
| 258 | D | 47.7 | Very low | 48.6 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | -89.9 | 80.3 | -180 | -37.7 | -47.4 | 0 | 0 | 0 | 110.4 | S256 N260 | S256-D258 PolarHBondContact OG-OD1 2.87Å; S256-D258 VanDerWaalsContact OG-OD1 3.09Å; D258-N260 PolarHBondContact O-N 3.05Å |
| 259 | N | 47.4 | Very low | 48 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -78.5 | 87.5 | 178.8 | -117.3 | -39.7 | 0 | 0 | 0 | 111.3 | M257 | M257-N259 PolarHBondContact O-N 3.43Š|
| 260 | N | 47.4 | Very low | 47.7 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 66% | 0.658 | 80% | 0.797 | S | S | * | * | | | trans | -111.7 | 82.2 | 173.7 | -174.8 | 39.5 | 0 | 0 | 0 | 112.1 | D258 K262 | D258-N260 PolarHBondContact O-N 3.05Å; N260-K262 WeakPolarHBondContact OD1-CE 3.35Å |
| 261 | S | 39.7 | Very low | 47 | Very low | 99 Ų | 99 | 152.5 Ų | 152.5 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -126.5 | 86.4 | 166.9 | -174.3 | 0 | 0 | 0 | 0 | 110 | F263 | S261-F263 PolarHBondContact O-N 3.06Š|
| 262 | K | 50.6 | Low | 46.4 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | trans | -88.3 | 79 | 179.6 | -57.1 | -179.1 | -168.6 | -177.1 | 0 | 110.8 | N260 | N260-K262 WeakPolarHBondContact OD1-CE 3.35Š|
| 263 | F | 44.8 | Very low | 45.4 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -125.5 | 83.6 | 163.1 | -72.7 | -66.4 | 0 | 0 | 0 | 111.4 | S261 K265 | S261-F263 PolarHBondContact O-N 3.06Å; F263-K265 VanDerWaalsContact C-N 3.34Å; F263-K265 PolarHBondContact O-N 3.35Å |
| 264 | A | 48.3 | Very low | 44.5 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -62.2 | 97 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 265 | K | 39.8 | Very low | 43.4 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -114 | 77.3 | 168.7 | -160.1 | 104.6 | -177.4 | -174.7 | 0 | 108.7 | F263 R267 | F263-K265 VanDerWaalsContact C-N 3.34Å; F263-K265 PolarHBondContact O-N 3.35Å; K265-R267 PolarHBondContact O-N 2.94Å |
| 266 | S | 46.5 | Very low | 42.6 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -59 | 124.7 | 167 | 58 | 0 | 0 | 0 | 0 | 108.6 | | |
| 267 | R | 39.3 | Very low | 41.8 | Very low | 226 Ų | 226 | 151.2 Ų | 151.2 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -134.1 | 92.9 | 162.1 | -139.4 | 174.5 | -167 | 170.2 | 3.4 | 108.2 | K265 R269 | K265-R267 PolarHBondContact O-N 2.94Å; R267-R269 PolarHBondContact O-N 2.92Å |
| 268 | S | 36.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -50.2 | 125.9 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 110 | | |
| 269 | R | 41.1 | Very low | 39.8 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -94.1 | 100.5 | 166.1 | -71.7 | -169 | -178.6 | -160.7 | 1.9 | 107.5 | R267 A271 | R267-R269 PolarHBondContact O-N 2.92Å; R269-A271 PolarHBondContact O-N 2.78Å |
| 270 | A | 41.1 | Very low | 39 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -63.8 | 99.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | K272 | A270-K272 PolarHBondContact O-N 3.24Š|
| 271 | A | 39 | Very low | 38.3 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | | | trans | -74.4 | 115.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R269 K273 | R269-A271 PolarHBondContact O-N 2.78Å; A271-K273 PolarHBondContact O-N 3.15Å |
| 272 | K | 41.4 | Very low | 37.9 | Very low | 203 Ų | 203 | 153.2 Ų | 153.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -57.1 | 99.9 | 173.7 | 178.5 | 176.3 | 176 | 175.9 | 0 | 110.2 | A270 K274 | A270-K272 PolarHBondContact O-N 3.24Å; K272-K274 PolarHBondContact O-N 3.46Å; K272-K274 VanDerWaalsContact O-N 3.13Å |
| 273 | K | 36.8 | Very low | 37 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -69.2 | 106.4 | 175.1 | -155.1 | -177.9 | -170.9 | -174.6 | 0 | 108.6 | A271 | A271-K273 PolarHBondContact O-N 3.15Š|
| 274 | K | 37 | Very low | 36.5 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | -76.7 | 131.6 | 167.2 | 102.3 | -178.7 | -172.6 | -175 | 0 | 107.9 | K272 | K272-K274 PolarHBondContact O-N 3.46Å; K272-K274 VanDerWaalsContact O-N 3.13Å |
| 275 | A | 34.3 | Very low | 35.8 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -71.9 | 145.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 276 | S | 31.2 | Very low | 35.4 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | | | trans | -165.4 | 106.1 | 153.7 | -175.4 | 0 | 0 | 0 | 0 | 108 | | |
| 277 | L | 33.6 | Very low | 34.7 | Very low | 152 Ų | 152 | 141 Ų | 141 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | trans | -166.4 | 114 | 143.1 | -97.6 | -177.8 | 0 | 0 | 0 | 109 | | |
| 278 | Q | 32.6 | Very low | 35.3 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | | | trans | 70.9 | 145 | 149.4 | -67.6 | 178 | -6 | 0 | 0 | 123.6 | | |
| 279 | S | 26.8 | Very low | 35 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | 85.4 | 138.5 | 161.1 | 74.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 280 | G | 31.9 | Very low | 34.6 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 95 | 80.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 281 | Q | 31.2 | Very low | 34.3 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | | 74.7 | 114.8 | 64.3 | -168 | 168.8 | -8.3 | 0 | 0 | 113.7 | | |
| 282 | E | 30.8 | Very low | 33.9 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 66.7 | 150.6 | 161.7 | -73 | 166.2 | -137.7 | 0 | 0 | 120.3 | | |
| 283 | G | 32.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 119.6 | 76.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 284 | A | 34.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | 15.1 | 145.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 285 | G | 33.2 | Very low | 33.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | | 121.3 | 96.5 | 127.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 286 | D | 32.5 | Very low | 34.1 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | 65.2 | 156 | 140.3 | -112.7 | -83.2 | 0 | 0 | 0 | 123.5 | | |
| 287 | S | 32.1 | Very low | 33.9 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | -116.1 | -150.5 | 178.5 | -68.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 288 | P | 52.5 | Low | 33.8 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | | -120.7 | 177.7 | -77.4 | 33.4 | -19.5 | 0 | 0 | 0 | 114 | | |
| 289 | G | 28.3 | Very low | 34.4 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | 103.3 | 164.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 290 | S | 33.3 | Very low | 34.4 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | | | cis | -161.5 | 142.9 | -3.4 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 291 | Q | 35.2 | Very low | 34.4 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | 62 | 161.1 | 141.9 | -62.9 | 174.4 | -39.2 | 0 | 0 | 124.3 | | |
| 292 | F | 30.7 | Very low | 34.3 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 69% | 0.689 | 80% | 0.8 | S | S | * | * | | | trans | 61.7 | 107.8 | 156.2 | 43.4 | -114 | 0 | 0 | 0 | 123.7 | | |
| 293 | S | 36.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | | 38.5 | 129.1 | 117.1 | -50.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 294 | K | 29.5 | Very low | 34.1 | Very low | 208 Ų | 208 | 128.6 Ų | 128.6 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | | -179.2 | 132.1 | 111 | -153.9 | 151.7 | 177.1 | 177.2 | 0 | 113 | | |
| 295 | W | 39.7 | Very low | 34.1 | Very low | 240 Ų | 240 | 130 Ų | 130 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -74.5 | 161 | 165.4 | -66.9 | 84 | 0 | 0 | 0 | 110.9 | | |
| 296 | P | 47.4 | Very low | 34 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | | -157.4 | 177.8 | 88.7 | 41.2 | -21.3 | 0 | 0 | 0 | 118 | | |
| 297 | A | 26.9 | Very low | 33.9 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | 87.1 | 100.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 298 | S | 31.7 | Very low | 34 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -69.8 | -164 | 155.5 | -25 | 0 | 0 | 0 | 0 | 111.6 | | |
| 299 | P | 45.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | cis | -139.2 | -176.1 | 9.4 | 43 | -23.6 | 0 | 0 | 0 | 116.5 | | |
| 300 | G | 27.8 | Very low | 33.1 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | trans | 160.6 | 66.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 301 | S | 30.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -46.2 | 140.4 | 177.5 | -161.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 302 | H | 29.9 | Very low | 33.3 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | | -167.4 | 123.1 | 116 | -124.1 | -84.7 | 0 | 0 | 0 | 116.2 | | |
| 303 | S | 29.2 | Very low | 33.4 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | 19.8 | 116.2 | 152.1 | 64 | 0 | 0 | 0 | 0 | 122.4 | | |
| 304 | N | 28.9 | Very low | 33.3 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | | -158.8 | 156.2 | 102.3 | -155.3 | -101.7 | 0 | 0 | 0 | 109.7 | | |
| 305 | D | 33.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -76.2 | 157.6 | -159.9 | -57.3 | -107.1 | 0 | 0 | 0 | 116.1 | | |
| 306 | D | 32.9 | Very low | 33.7 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -55.9 | 138 | 179.3 | -69.1 | 81.8 | 0 | 0 | 0 | 115.6 | | |
| 307 | F | 28.6 | Very low | 33.2 | Very low | 208 Ų | 208 | 147.9 Ų | 147.9 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | | | | -149.6 | 91.4 | 127 | -157.1 | -94.1 | 0 | 0 | 0 | 111.4 | | |
| 308 | D | 35.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | | | trans | -77.2 | 129.1 | -175.3 | -132.1 | -48.8 | 0 | 0 | 0 | 113 | | |
| 309 | N | 30 | Very low | 33.8 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | | | trans | 33.6 | 103.2 | 142.5 | -68.4 | -25.5 | 0 | 0 | 0 | 120.9 | | |
| 310 | W | 32 | Very low | 33.4 | Very low | 248 Ų | 248 | 148.9 Ų | 148.9 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | | -143.1 | 80.4 | 123.3 | -154.6 | -83.2 | 0 | 0 | 0 | 112.8 | | |
| 311 | S | 38 | Very low | 33.6 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -153.5 | 82.2 | 171.6 | -81.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 312 | T | 34 | Very low | 33.8 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -162.5 | 109.2 | 148.3 | -86.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 313 | F | 32.7 | Very low | 34.1 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | 44.8 | 111.7 | 146.6 | -66.6 | -94.4 | 0 | 0 | 0 | 121.3 | | |
| 314 | R | 35.4 | Very low | 34.6 | Very low | 235 Ų | 235 | 153 Ų | 153 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | -119.7 | 144.1 | 130.8 | -75.9 | -174.1 | 178.9 | -100.2 | 0.6 | 109 | | |
| 315 | P | 38.4 | Very low | 35 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.9 | -174 | 30.4 | -35.1 | 0 | 0 | 0 | 111.3 | | |
| 316 | R | 39.1 | Very low | 35 | Very low | 247 Ų | 247 | 147.6 Ų | 147.6 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 132.3 | 165.6 | -67.5 | -170.4 | 80.4 | 113.9 | -1.5 | 109.6 | | |
| 317 | T | 37.4 | Very low | 35 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 173.2 | -175 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 318 | S | 36.5 | Very low | 35.3 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 138.8 | -175.7 | 48.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 319 | S | 33.8 | Very low | 35.4 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | | 68.3 | 152.4 | 129 | -54.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 320 | N | 36.3 | Very low | 35.7 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | | | trans | 73.6 | 104.3 | 157.4 | -68.8 | -5.8 | 0 | 0 | 0 | 120.6 | | |
| 321 | A | 32.4 | Very low | 35.8 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | -157 | 89.4 | 130 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 322 | S | 34.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -135.7 | 103.6 | 158 | -76.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 323 | T | 36.5 | Very low | 35.3 | Very low | 150 Ų | 150 | 149 Ų | 149 | 92% | 0.92 | 83% | 0.826 | S | S | * | * | | | trans | -107.9 | 96.6 | 175.5 | 36.9 | 0 | 0 | 0 | 0 | 110 | | |
| 324 | I | 41 | Very low | 35.4 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | -98.5 | 114 | 159.9 | -177.8 | 165.3 | 0 | 0 | 0 | 108.3 | | |
| 325 | S | 35.8 | Very low | 35.4 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -173.1 | 134.6 | 160.6 | -160.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 326 | G | 33.8 | Very low | 35.2 | Very low | 64 Ų | 64 | 145.8 Ų | 145.8 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | | | cis | 114.9 | 94.8 | 30.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 327 | R | 33.3 | Very low | 35 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -133.8 | 99.6 | 172.8 | -78.2 | -168.7 | 173.8 | -93.4 | -0.6 | 109.1 | | |
| 328 | L | 34.8 | Very low | 35.1 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 162 | 157 | -72.2 | 171.6 | 0 | 0 | 0 | 109 | | |
| 329 | S | 38.1 | Very low | 34.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 159.5 | -166.9 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 330 | P | 36.5 | Very low | 34.9 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136.7 | 157.8 | 3.4 | 14.6 | 0 | 0 | 0 | 110.1 | | |
| 331 | I | 32.8 | Very low | 34.7 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | -121.1 | 147.2 | 163.7 | -72.7 | 178.7 | 0 | 0 | 0 | 107.7 | | |
| 332 | M | 29.6 | Very low | 34.7 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -77.3 | 162.1 | -171.5 | -63.2 | -91.5 | 64.9 | 0 | 0 | 113.2 | | |
| 333 | T | 33.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | -60.3 | 131.2 | 169.2 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 334 | E | 34.4 | Very low | 34.8 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -125.5 | 151.6 | 148.3 | -88 | -78.9 | 121.5 | 0 | 0 | 106.8 | | |
| 335 | Q | 34.1 | Very low | 34.2 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -137.9 | 160.6 | -162.3 | 158.5 | 176.6 | -10.2 | 0 | 0 | 109.7 | | |
| 336 | D | 34.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | | | trans | 85.6 | 113.2 | 166.1 | -93 | -127.8 | 0 | 0 | 0 | 119.4 | | |
| 337 | D | 35 | Very low | 34.1 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | | 97 | 134.4 | 118.7 | -142.8 | -126.3 | 0 | 0 | 0 | 123.7 | | |
| 338 | L | 39.3 | Very low | 34 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -6.8 | 145.1 | 168.5 | -64.4 | 163.3 | 0 | 0 | 0 | 122.1 | | |
| 339 | G | 33.1 | Very low | 34.9 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 157.6 | 98.4 | 148 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 340 | E | 32.6 | Very low | 35.6 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | -13.5 | 149.1 | 148.4 | -152.1 | 80.1 | 179.1 | 0 | 0 | 119.5 | | |
| 341 | G | 32.7 | Very low | 35.1 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | 127.2 | 85.7 | 140 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 342 | D | 33.4 | Very low | 35 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | 19.3 | 160.8 | 136.3 | -135 | -18.2 | 0 | 0 | 0 | 125.1 | | |
| 343 | V | 35.8 | Very low | 35.1 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | | | trans | 75.6 | 111.9 | 155.7 | -58.6 | 0 | 0 | 0 | 0 | 125.3 | | |
| 344 | H | 36.8 | Very low | 35 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | 61.6 | 125.2 | 130.4 | -72.5 | -126 | 0 | 0 | 0 | 122.3 | | |
| 345 | S | 28 | Very low | 35 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | | 159.7 | 151.9 | 95.7 | -161.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 346 | M | 38 | Very low | 34.8 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -95.6 | 138.7 | -179.6 | -66.4 | -157.2 | -57.3 | 0 | 0 | 113.8 | | |
| 347 | V | 30.2 | Very low | 34.7 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | -146.5 | 136.7 | 149.4 | -179 | 0 | 0 | 0 | 0 | 110.8 | | |
| 348 | Y | 30.2 | Very low | 34.6 | Very low | 216 Ų | 216 | 133.8 Ų | 133.8 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -120.9 | 172.1 | 166.9 | -105.2 | -64.3 | 0 | 0 | 0 | 107.3 | | |
| 349 | P | 55.3 | Low | 34.3 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | | | cis | -128.3 | -139.4 | -25.3 | 43.7 | -25.5 | 0 | 0 | 0 | 108.3 | | |
| 350 | P | 51.1 | Low | 34.5 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | cis | -127.1 | -176.5 | -34.2 | 38 | -21.9 | 0 | 0 | 0 | 114.3 | | |
| 351 | S | 27.8 | Very low | 34.4 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 97.5 | 148.4 | 142 | 80.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 352 | A | 30.2 | Very low | 34.5 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | 74.3 | 92.8 | 157 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 353 | A | 31.5 | Very low | 34.7 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | | 60.7 | 123.6 | 113.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 354 | K | 31.9 | Very low | 34.5 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | 86.7 | 155.6 | 141.2 | -72.4 | -179.1 | 177 | -178.6 | 0 | 121.4 | | |
| 355 | M | 34.2 | Very low | 34.6 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | trans | 58 | 91.2 | 156.8 | 59.9 | -125.6 | -83.3 | 0 | 0 | 120.6 | | |
| 356 | A | 29.3 | Very low | 34.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | trans | -91.7 | 114 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 357 | S | 31.7 | Very low | 34.7 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -164.2 | 78.8 | 163.2 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 358 | T | 34.2 | Very low | 35.2 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | | | trans | -85.1 | 113.2 | 174.7 | 46.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 359 | L | 33.4 | Very low | 35.8 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -12.2 | 144.1 | 161.9 | -54.2 | 169.6 | 0 | 0 | 0 | 118.8 | | |
| 360 | P | 35.3 | Very low | 35.7 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -77 | 141.2 | 152 | 33.7 | -30.6 | 0 | 0 | 0 | 110.7 | | |
| 361 | S | 31 | Very low | 35.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -83.2 | 145 | 174.5 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 362 | L | 36.2 | Very low | 36.2 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | -107.4 | 128.4 | -179.9 | -107.8 | 168.7 | 0 | 0 | 0 | 111.6 | | |
| 363 | S | 36 | Very low | 36.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -156.2 | 123 | 158.5 | 50.1 | 0 | 0 | 0 | 0 | 104.9 | | |
| 364 | E | 32.9 | Very low | 37.7 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | cis | -124.9 | 170.7 | 30.8 | -68 | 161.5 | 106.9 | 0 | 0 | 115 | | |
| 365 | I | 39.3 | Very low | 38.7 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -86 | 135.6 | 177.9 | -92.3 | 146.6 | 0 | 0 | 0 | 111.2 | | |
| 366 | S | 32.6 | Very low | 39.2 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -176.6 | 71.7 | 143 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 367 | N | 35.2 | Very low | 40 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | 168.9 | 138.8 | 136.3 | -94.5 | -6.8 | 0 | 0 | 0 | 112.5 | | |
| 368 | P | 40.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -111.3 | 86.9 | -178.7 | 38.7 | -29.4 | 0 | 0 | 0 | 114.4 | | |
| 369 | E | 42.4 | Very low | 41.1 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -146.9 | 28.5 | 175.2 | -88.2 | -153.6 | 136.7 | 0 | 0 | 116.2 | | |
| 370 | N | 51.7 | Low | 41.4 | Very low | 130 Ų | 130 | 147 Ų | 147 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | trans | -151 | 38.9 | 179.3 | -156.2 | 63.6 | 0 | 0 | 0 | 117.6 | | |
| 371 | M | 39.2 | Very low | 41.4 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -87.5 | -2.6 | 179.3 | -64.5 | -157.3 | -63.6 | 0 | 0 | 115.3 | | |
| 372 | E | 51.1 | Low | 41.5 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -86.6 | -16.7 | -172.4 | -153.2 | 163.2 | -164.9 | 0 | 0 | 114 | | |
| 373 | N | 45.3 | Very low | 41.2 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -89.3 | -1.2 | -172.2 | -124.2 | -89.1 | 0 | 0 | 0 | 115.7 | | |
| 374 | L | 48 | Very low | 41.7 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -88.2 | -10.8 | -174.9 | -94.2 | 162.5 | 0 | 0 | 0 | 114.7 | | |
| 375 | L | 51.7 | Low | 41.5 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -89.2 | -22.4 | -173.5 | -80.1 | 149.2 | 0 | 0 | 0 | 114.5 | | |
| 376 | D | 46.4 | Very low | 41.1 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -83.8 | -23.5 | -176.1 | -93.7 | -56 | 0 | 0 | 0 | 115 | L378 | D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.14Å |
| 377 | N | 44.4 | Very low | 41 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 0.7 | -167.8 | -98.2 | -80.7 | 0 | 0 | 0 | 116 | | |
| 378 | L | 44.3 | Very low | 40.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 4 | -170.6 | -115.2 | 154.2 | 0 | 0 | 0 | 115 | D376 | D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.14Å |
| 379 | N | 45.3 | Very low | 40.1 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -114.4 | 12.7 | -160 | -130.8 | -13 | 0 | 0 | 0 | 117.1 | | |
| 380 | L | 40.6 | Very low | 39.4 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -132.1 | 43.1 | -173.2 | -71.8 | 177 | 0 | 0 | 0 | 116.2 | | |
| 381 | L | 35.2 | Very low | 38.4 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | | | trans | -137.6 | 82.7 | 161.9 | -87.2 | 102.8 | 0 | 0 | 0 | 113.5 | | |
| 382 | S | 32.1 | Very low | 38 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -172.5 | 123.2 | 141.8 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 383 | S | 31.1 | Very low | 37 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -94.9 | 149.8 | 157.8 | -49.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 384 | P | 45.3 | Very low | 36.4 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -122.7 | 158.1 | 148.6 | 36 | -26.6 | 0 | 0 | 0 | 112.1 | | |
| 385 | T | 30.2 | Very low | 36.5 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -109.5 | 144.4 | -171.9 | -25 | 0 | 0 | 0 | 0 | 112.1 | | |
| 386 | S | 29.3 | Very low | 35.6 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | 96.3 | 139.1 | 144.1 | -50.3 | 0 | 0 | 0 | 0 | 121 | | |
| 387 | L | 30.8 | Very low | 35 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | 102.3 | 112.8 | 147.1 | -58.6 | -164.2 | 0 | 0 | 0 | 120.5 | | |
| 388 | T | 28.4 | Very low | 34.6 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | | 108.1 | 125.1 | 128.9 | -60.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 389 | V | 28.5 | Very low | 34.4 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | trans | 76 | 98.8 | 152.1 | 161.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 390 | S | 28.3 | Very low | 33.9 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | | 51.6 | 149.8 | 114.6 | -42.2 | 0 | 0 | 0 | 0 | 124 | | |
| 391 | T | 30.6 | Very low | 33.4 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 78.4 | 143.4 | 162.8 | 75.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 392 | Q | 31 | Very low | 33.2 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | cis | -160.4 | 163.4 | -9.8 | -119.6 | 177.6 | 111.9 | 0 | 0 | 110.3 | | |
| 393 | S | 30 | Very low | 34.1 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 52.9 | 111.4 | 145.4 | 66.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 394 | S | 33.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -61 | -178.4 | 133.5 | -36.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 395 | P | 50.5 | Low | 33.3 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | cis | -143.9 | -170.1 | 9.9 | 43.2 | -23.3 | 0 | 0 | 0 | 115.9 | | |
| 396 | G | 32.8 | Very low | 33.2 | Very low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | | | trans | 138.1 | 116 | 131.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 397 | T | 33.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | | 91.8 | 107.4 | 126.1 | 56.4 | 0 | 0 | 0 | 0 | 124.7 | | |
| 398 | M | 34.6 | Very low | 33.4 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | | 93.9 | 155.1 | 114.8 | -68 | -173.2 | -48.2 | 0 | 0 | 123.5 | | |
| 399 | M | 40.4 | Very low | 34.4 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | 76.9 | 109.4 | 177.7 | -50.6 | -55.1 | -167.6 | 0 | 0 | 115.6 | | |
| 400 | Q | 34.5 | Very low | 35.6 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | cis | 82.9 | 105.3 | 38.9 | -170.6 | 161.7 | 92.1 | 0 | 0 | 115.6 | | |
| 401 | Q | 31.5 | Very low | 35.7 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -173 | 143.8 | 131.9 | -103.9 | 162.1 | 85.9 | 0 | 0 | 113.5 | | |
| 402 | T | 30.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | | | trans | -100.3 | 175.9 | 172.1 | 7.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 403 | P | 51.5 | Low | 36 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | cis | -148 | 162.9 | 35.4 | 40.5 | -18.1 | 0 | 0 | 0 | 120.9 | | |
| 404 | C | 26.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 69% | 0.689 | 78% | 0.78 | S | S | * | * | | | trans | 9.5 | 138.7 | 145.2 | -163.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 405 | Y | 32.9 | Very low | 36 | Very low | 234 Ų | 234 | 138.2 Ų | 138.2 | 92% | 0.918 | 78% | 0.783 | S | S | * | * | | | | -154.6 | 161.7 | 121 | -104.2 | -73 | 0 | 0 | 0 | 111.3 | | |
| 406 | S | 26.7 | Very low | 35 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | -140.2 | 155.4 | -171.2 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 407 | F | 30.4 | Very low | 35.7 | Very low | 209 Ų | 209 | 139.1 Ų | 139.1 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -176.5 | 162.2 | 139.2 | -106.4 | -70.2 | 0 | 0 | 0 | 113.2 | | |
| 408 | A | 35.3 | Very low | 35.6 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -124.8 | 173.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 409 | P | 48.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -104.7 | 173.1 | -166.2 | 40.6 | -35.4 | 0 | 0 | 0 | 115.3 | | |
| 410 | P | 53 | Low | 35.6 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -109.7 | 179.9 | 168.1 | 38.9 | -29.2 | 0 | 0 | 0 | 114.4 | | |
| 411 | N | 30.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -143.7 | -175.7 | -161.1 | -161.4 | -18 | 0 | 0 | 0 | 110.5 | | |
| 412 | T | 35.1 | Very low | 35.2 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | | | trans | 78.2 | 151.8 | 170.8 | 76.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 413 | S | 33.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | cis | -175.2 | 161 | -17.5 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 414 | L | 34.8 | Very low | 34 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | 61 | 124.4 | 151.3 | -69.7 | 153.8 | 0 | 0 | 0 | 121.5 | | |
| 415 | N | 28.9 | Very low | 34.1 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | | 167.5 | 169.8 | 101.1 | -145.6 | 10.2 | 0 | 0 | 0 | 113.6 | | |
| 416 | S | 28.9 | Very low | 33.9 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | | | trans | -128.1 | -174.2 | 173.4 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 417 | P | 47.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | cis | -131.8 | -162.7 | -9.5 | 37.6 | -16.3 | 0 | 0 | 0 | 114.3 | | |
| 418 | S | 31.6 | Very low | 34.2 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -68.9 | 165.9 | -178.6 | 66.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 419 | P | 45.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | | -156.2 | 172.8 | 75.5 | 41.2 | -19.7 | 0 | 0 | 0 | 119.6 | | |
| 420 | N | 29.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | | | trans | -1.5 | 143.2 | 157.4 | -58.8 | -62 | 0 | 0 | 0 | 122.3 | | |
| 421 | Y | 27.3 | Very low | 32.2 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | | -162.4 | 162.2 | 115.8 | -130.3 | -99.7 | 0 | 0 | 0 | 115.1 | | |
| 422 | Q | 29.2 | Very low | 32.5 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | | | trans | -91.5 | 163.7 | -174.2 | -50.3 | 125.2 | -71.3 | 0 | 0 | 113.5 | | |
| 423 | K | 27.8 | Very low | 33.2 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | | 170.4 | 127.5 | 108.1 | -89.8 | -138.5 | 167.3 | 178.3 | 0 | 118.5 | | |
| 424 | Y | 29.7 | Very low | 33.1 | Very low | 179 Ų | 179 | 138 Ų | 138 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | 48.3 | 163.6 | 134.2 | -65.1 | -113.1 | 0 | 0 | 0 | 123.7 | | |
| 425 | T | 27.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | cis | -166.4 | -174.4 | -48 | -58.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 426 | Y | 29.9 | Very low | 33.6 | Very low | 213 Ų | 213 | 135.8 Ų | 135.8 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | | | trans | 97.1 | 124.3 | 164.2 | -109.1 | -80.8 | 0 | 0 | 0 | 117.4 | | |
| 427 | G | 30.5 | Very low | 33.8 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | | | cis | 172.8 | 166.6 | -12 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 428 | Q | 32 | Very low | 33.5 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | trans | 68.5 | 142.9 | 168.1 | -57.8 | -63.9 | -19.2 | 0 | 0 | 117.5 | | |
| 429 | S | 29.1 | Very low | 33.6 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | cis | -145.3 | 145.2 | 27.3 | -58.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 430 | S | 32.4 | Very low | 33.1 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | 55.2 | 107.9 | 143.7 | 64.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 431 | M | 33.9 | Very low | 33.7 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | | | | 67.5 | 137.1 | 129.4 | -50.4 | -50.4 | 177.7 | 0 | 0 | 123.4 | | |
| 432 | S | 37 | Very low | 34.1 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | -148.1 | 162.8 | 167.8 | -45.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 433 | P | 49.4 | Very low | 34.4 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | | -149.5 | 168.4 | 77 | 36.2 | -15 | 0 | 0 | 0 | 118.1 | | |
| 434 | L | 33.2 | Very low | 34.3 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -13.6 | 170.7 | 154.7 | -69.9 | 161 | 0 | 0 | 0 | 120.6 | | |
| 435 | P | 44 | Very low | 34.3 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | cis | -140.6 | 157.9 | 9.2 | 18.7 | 8.9 | 0 | 0 | 0 | 119.7 | | |
| 436 | Q | 29.6 | Very low | 34.7 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | | 58.6 | 147.2 | 126.6 | -142 | -171.3 | -23.4 | 0 | 0 | 124.8 | | |
| 437 | M | 33.1 | Very low | 34.8 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | | | trans | 89.8 | 165.7 | 161.7 | -50 | -58.6 | -83.8 | 0 | 0 | 117.1 | | |
| 438 | P | 41.3 | Very low | 34.7 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | | -122.7 | 178.5 | -119.2 | 21.1 | 6.5 | 0 | 0 | 0 | 115.7 | | |
| 439 | M | 33.4 | Very low | 34.8 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 94% | 0.941 | 77% | 0.767 | S | S | * | * | | | trans | -64 | 130 | 179.6 | -89 | -78.9 | -77.3 | 0 | 0 | 114 | | |
| 440 | Q | 35.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -111.6 | 142.7 | 175.4 | -165.9 | 78.6 | 52.3 | 0 | 0 | 110.6 | | |
| 441 | T | 42.7 | Very low | 34.8 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -79.1 | 150.8 | 174.4 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 442 | L | 34.7 | Very low | 34.8 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -134.4 | 157.7 | 164 | -73.1 | 172 | 0 | 0 | 0 | 110.6 | | |
| 443 | Q | 35.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 137 Ų | 137 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | cis | 177.6 | 141.7 | -39.2 | 168.1 | 162.7 | 1.9 | 0 | 0 | 107.4 | | |
| 444 | D | 26.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | 162.2 | 142.8 | 147.9 | -91.1 | -36 | 0 | 0 | 0 | 111 | | |
| 445 | N | 29.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | | | cis | -165 | 143.2 | -18.8 | -152.3 | -47.8 | 0 | 0 | 0 | 109.9 | | |
| 446 | K | 35.1 | Very low | 33 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | | | trans | 38.7 | 141.7 | 162 | -75.1 | 155.8 | 76.1 | -178.6 | 0 | 119.8 | | |
| 447 | S | 32.4 | Very low | 33.1 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | cis | -176 | 177.7 | 19.1 | -113.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 448 | S | 29.1 | Very low | 33.4 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | cis | -169.6 | 132 | -4.5 | 153 | 0 | 0 | 0 | 0 | 111.5 | | |
| 449 | Y | 33.2 | Very low | 33.5 | Very low | 240 Ų | 240 | 138.8 Ų | 138.8 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | | | trans | 67.2 | 136.2 | 156.3 | -85.7 | -101.6 | 0 | 0 | 0 | 123.6 | | |
| 450 | G | 32.1 | Very low | 33.6 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | 144.2 | 104 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 451 | G | 30.5 | Very low | 33.9 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -151.6 | 178.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 452 | M | 33.1 | Very low | 33.8 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | | | trans | 66.5 | 140.3 | -178.5 | -106.4 | 66.2 | 88.7 | 0 | 0 | 115.8 | | |
| 453 | S | 30.7 | Very low | 34.3 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 46% | 0.462 | 77% | 0.773 | S | S | . | * | | | cis | -161.4 | 131.9 | 4.2 | -155.7 | 0 | 0 | 0 | 0 | 112 | | |
| 454 | Q | 31.6 | Very low | 34.6 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | 54.6 | 157.6 | 145.6 | -53.9 | 174.7 | 46.5 | 0 | 0 | 118.9 | | |
| 455 | Y | 32.8 | Very low | 35.4 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | cis | -151.2 | 153 | 26.7 | -45.2 | -97.3 | 0 | 0 | 0 | 112.1 | | |
| 456 | N | 31.1 | Very low | 35.8 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | | | trans | 19.5 | 148.6 | 158.8 | -87.2 | -40.8 | 0 | 0 | 0 | 125.3 | | |
| 457 | C | 31.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 140 Ų | 140 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -104.9 | 144.8 | -178.3 | -60.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 458 | A | 40.1 | Very low | 35.8 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | 69 | 166.4 | 131 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 459 | P | 42.8 | Very low | 35.9 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | cis | -131.1 | 163.4 | -1.3 | 39.7 | -23.6 | 0 | 0 | 0 | 117 | | |
| 460 | G | 35.5 | Very low | 36.2 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 89.4 | 115 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 461 | L | 41.5 | Very low | 36.8 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -178.2 | 91.9 | 133.3 | -101.2 | 170.6 | 0 | 0 | 0 | 110.9 | K463 | L461-K463 HydrophobicContact CD2-CB 4.39Š|
| 462 | L | 40.1 | Very low | 38.1 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -97.5 | 73.5 | 168 | -90.4 | 168.4 | 0 | 0 | 0 | 109.7 | | |
| 463 | K | 46 | Very low | 38.1 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -148.5 | 32.5 | 179 | -152.5 | -168.1 | 172.4 | -176.2 | 0 | 114.7 | L461 | L461-K463 HydrophobicContact CD2-CB 4.39Š|
| 464 | E | 42.3 | Very low | 38.1 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -146 | 21.7 | -174.3 | -143.3 | 174.6 | 166 | 0 | 0 | 115.9 | | |
| 465 | L | 42.2 | Very low | 38.1 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -117.6 | 23.9 | -179.2 | -74.8 | 175.2 | 0 | 0 | 0 | 114.8 | | |
| 466 | L | 39.5 | Very low | 38.2 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -141.3 | 54.8 | -179.8 | -74.8 | 176.9 | 0 | 0 | 0 | 114.3 | | |
| 467 | T | 33.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -179.5 | 138.6 | 162.3 | 22 | 0 | 0 | 0 | 0 | 106.4 | | |
| 468 | S | 33.1 | Very low | 38.6 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | -148 | 150.2 | 5.5 | -61.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 469 | D | 31.2 | Very low | 39.1 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | | 57.2 | 134.2 | 103.1 | -149.5 | -141.4 | 0 | 0 | 0 | 117.7 | | |
| 470 | S | 38.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -100.3 | 159 | -173.6 | -49.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 471 | P | 44.8 | Very low | 38.6 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | -152.2 | 176.7 | 83.9 | 36.7 | -15.5 | 0 | 0 | 0 | 115.9 | | |
| 472 | P | 58.9 | Low | 39.2 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -105.3 | 153.9 | -171.9 | 38.5 | -33.1 | 0 | 0 | 0 | 115.9 | | |
| 473 | H | 31.8 | Very low | 38.8 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | trans | -154.3 | 129.9 | 164.2 | -149.5 | 37.9 | 0 | 0 | 0 | 114.3 | | |
| 474 | N | 30.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | | | trans | 66 | 111.8 | 149.6 | -68.7 | 8.4 | 0 | 0 | 0 | 124.5 | | |
| 475 | D | 31.9 | Very low | 37.8 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | | 83.8 | 136.2 | 112.3 | -74.3 | -42.6 | 0 | 0 | 0 | 124.9 | | |
| 476 | I | 35.5 | Very low | 37.4 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | | | trans | 69.5 | 140.5 | 147 | -91.7 | 95.8 | 0 | 0 | 0 | 117.5 | | |
| 477 | M | 32.4 | Very low | 38 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | cis | -153.6 | 157.8 | -11.1 | -94.2 | -130.4 | -178.5 | 0 | 0 | 110.3 | | |
| 478 | T | 38.5 | Very low | 38 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | -71.7 | 155 | 160.8 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 479 | P | 50.3 | Low | 37.9 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | | | | -155.7 | 143.1 | 94.5 | 37.6 | -17.6 | 0 | 0 | 0 | 119 | | |
| 480 | V | 34.4 | Very low | 38.2 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | | | | 68.4 | 124.3 | 127.8 | 179.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 481 | D | 33.6 | Very low | 38.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | -74.1 | 157.5 | 165.7 | -153 | -87 | 0 | 0 | 0 | 111.9 | G483 | D481-G483 PolarHBondContact OD1-N 3.21Š|
| 482 | P | 53.5 | Low | 37.7 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | -152.7 | 121.7 | 105.7 | 34.2 | -14.1 | 0 | 0 | 0 | 116.9 | | |
| 483 | G | 32.2 | Very low | 36.6 | Very low | 55 Ų | 55 | 130 Ų | 130 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | | | | 91.3 | 118.1 | 108.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | D481 | D481-G483 PolarHBondContact OD1-N 3.21Š|
| 484 | V | 34.4 | Very low | 36.9 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | | | trans | 84.6 | 114.9 | 133.9 | -175.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 485 | A | 32.8 | Very low | 37.1 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -153.6 | 143.7 | 133.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 486 | Q | 33.3 | Very low | 37.5 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -115.6 | -178.2 | 177.3 | -83.6 | -88 | -12.7 | 0 | 0 | 108.4 | | |
| 487 | P | 52 | Low | 37.5 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | cis | -147.3 | 170.2 | 16 | 44.5 | -24.6 | 0 | 0 | 0 | 120.6 | | |
| 488 | N | 33.2 | Very low | 37.6 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | 76.8 | 121.9 | 140.6 | -118.6 | -9.8 | 0 | 0 | 0 | 124 | | |
| 489 | S | 31.2 | Very low | 37.3 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | | 169.3 | 117.3 | 95.5 | -169.6 | 0 | 0 | 0 | 0 | 116 | | |
| 490 | R | 38.5 | Very low | 37.4 | Very low | 228 Ų | 228 | 130.6 Ų | 130.6 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | 66.9 | 146.5 | 144.7 | -69.8 | 177.8 | -169 | -159 | 2.3 | 121.9 | | |
| 491 | V | 37.2 | Very low | 37.2 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | cis | -170.6 | 162.9 | -19 | 113.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 492 | L | 36.2 | Very low | 37.1 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | 70.9 | 127 | 165.7 | -91.8 | 154.4 | 0 | 0 | 0 | 119 | | |
| 493 | G | 34.8 | Very low | 36.1 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | cis | 171.5 | 174.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 494 | Q | 39.3 | Very low | 36.1 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | 81.1 | 87.3 | 167.6 | -62.5 | -179.7 | -5.6 | 0 | 0 | 119.7 | | |
| 495 | N | 35 | Very low | 35.9 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | | 36.1 | 146.4 | 110.2 | -55.5 | 18.5 | 0 | 0 | 0 | 118.8 | | |
| 496 | V | 38.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | cis | -150.9 | 119.3 | 46.8 | 170.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 497 | M | 35.5 | Very low | 35.8 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | trans | 47.3 | 118.6 | 134.3 | -57.6 | 171.7 | 73.1 | 0 | 0 | 123.8 | | |
| 498 | M | 35.4 | Very low | 34.8 | Very low | 173 Ų | 173 | 135 Ų | 135 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | | | | 67.7 | 129.5 | 116.2 | -61 | -88.1 | -80.2 | 0 | 0 | 121.5 | | |
| 499 | G | 31.1 | Very low | 34.7 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | | 148.4 | 141.3 | 112.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 500 | P | 53.8 | Low | 35 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | trans | -133.5 | -179.3 | -144.8 | 41.2 | -22.6 | 0 | 0 | 0 | 116.8 | | |
| 501 | N | 29.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | 71.4 | 106.8 | 150.8 | -63.8 | -22.2 | 0 | 0 | 0 | 121.5 | | |
| 502 | S | 31.4 | Very low | 34.6 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | | 60.4 | 143.4 | 106.1 | -139.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 503 | V | 31.9 | Very low | 34.7 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | 62.6 | 145.6 | 168.1 | -58.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 504 | M | 33.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | | | cis | -156.8 | 175.9 | 21.6 | -147 | 177.5 | -166.5 | 0 | 0 | 113.2 | | |
| 505 | S | 29.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | trans | -35.4 | 170.2 | 170.2 | -44.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 506 | T | 31.1 | Very low | 34.3 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | cis | -170.7 | 177.6 | 18.3 | -9.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 507 | Y | 32.2 | Very low | 34.1 | Very low | 230 Ų | 230 | 135.6 Ų | 135.6 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | trans | 72.8 | 133.2 | 170.9 | -74.1 | -87.6 | 0 | 0 | 0 | 117.9 | | |
| 508 | G | 32.3 | Very low | 33.9 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | cis | 153.4 | 135.9 | -14.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 509 | S | 30.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -177.5 | 115.5 | 140.2 | -158.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 510 | Q | 36.4 | Very low | 34.6 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 35.7 | 139.8 | 134.5 | -60.5 | -65.9 | -22.4 | 0 | 0 | 121.1 | | |
| 511 | A | 34.5 | Very low | 33.5 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | | | cis | -155.9 | 139.7 | 5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 512 | S | 33.5 | Very low | 33.6 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | | 45.1 | 141.2 | 124.1 | -44.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 513 | H | 37.7 | Very low | 33.7 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 89% | 0.889 | 75% | 0.754 | S | S | * | * | | | cis | -136 | -167.3 | 18.7 | -107.3 | -72.3 | 0 | 0 | 0 | 113.2 | | |
| 514 | N | 34.3 | Very low | 34 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | -136.3 | 165.6 | -144.6 | -154.3 | -26.2 | 0 | 0 | 0 | 114 | | |
| 515 | K | 35.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | trans | 82.9 | 102.4 | 160 | -68.7 | -173.2 | 172.1 | -177 | 0 | 122.9 | | |
| 516 | M | 32 | Very low | 34.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | | | | 63.4 | 125 | 105 | -67.8 | 172.8 | 179.3 | 0 | 0 | 123.4 | | |
| 517 | M | 33.4 | Very low | 35 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 75.3 | 112.1 | 134.1 | -86 | 62.6 | 169.6 | 0 | 0 | 123.6 | | |
| 518 | N | 32.7 | Very low | 35 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | 80.1 | 174.1 | 129.3 | -128.1 | 25.5 | 0 | 0 | 0 | 118.4 | | |
| 519 | P | 53 | Low | 35.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | | | | -129.7 | -179.4 | -104.8 | 41.9 | -24.3 | 0 | 0 | 0 | 115.8 | | |
| 520 | S | 27.2 | Very low | 35.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | 77.1 | 123.1 | 160.4 | -56.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 521 | S | 31 | Very low | 35.1 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | | | trans | 48.6 | 115.3 | 144 | 59.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 522 | H | 30.4 | Very low | 34.9 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | | 172.7 | 169.9 | 105 | -97.1 | -70.7 | 0 | 0 | 0 | 114 | | |
| 523 | T | 35.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | trans | -100.8 | -178.2 | -174 | 40.3 | 0 | 0 | 0 | 0 | 114 | | |
| 524 | H | 36.6 | Very low | 34.8 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | trans | 96.4 | 157.7 | 165.7 | -57.5 | -63.2 | 0 | 0 | 0 | 116.4 | | |
| 525 | P | 50.6 | Low | 34.7 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | cis | -139.5 | -179.3 | 20.2 | 43.1 | -24.6 | 0 | 0 | 0 | 118.5 | | |
| 526 | G | 28.5 | Very low | 34.5 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | 154.8 | 83.2 | 159 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 527 | H | 35.8 | Very low | 34.6 | Very low | 195 Ų | 195 | 133 Ų | 133 | 90% | 0.903 | 77% | 0.769 | S | S | * | * | | | trans | 12.6 | 136.7 | 154.7 | -77.8 | -99.8 | 0 | 0 | 0 | 121.1 | | |
| 528 | A | 33.4 | Very low | 34.6 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | | -170.1 | 145.9 | 57.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 529 | Q | 33.9 | Very low | 34.7 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 67.8 | 118.6 | 146.9 | -72.7 | -158.7 | -21.3 | 0 | 0 | 126 | | |
| 530 | Q | 32.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | | | | 102 | 95.7 | 127.4 | -76.5 | -174 | 7.8 | 0 | 0 | 123.5 | | |
| 531 | T | 33.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | | 77.5 | 116.5 | 124.1 | 55 | 0 | 0 | 0 | 0 | 123.8 | | |
| 532 | S | 32.3 | Very low | 33.9 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | 73.1 | 142 | 133.4 | -54.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 533 | A | 31.5 | Very low | 34.1 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | -168.7 | 170.4 | -19.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 534 | V | 36.2 | Very low | 33.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | 78.4 | 108.6 | 158.7 | -179.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 535 | N | 33.2 | Very low | 33.7 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | 40.7 | 140.5 | 136.4 | -56.8 | -18.5 | 0 | 0 | 0 | 123.1 | | |
| 536 | G | 31.2 | Very low | 33 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 159.4 | 98 | 143.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 537 | R | 33.3 | Very low | 34 | Very low | 252 Ų | 252 | 136.8 Ų | 136.8 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | | | trans | -66.7 | 159.6 | 171.6 | -73.9 | 175.5 | 163.8 | 178.4 | -5.5 | 112.8 | | |
| 538 | A | 33.3 | Very low | 34 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | 106.1 | 141.9 | 135.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 539 | L | 36.4 | Very low | 33.7 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -72.7 | 146.7 | 175.3 | -57.8 | 152.2 | 0 | 0 | 0 | 110.6 | | |
| 540 | S | 27.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | | 176.1 | 157.2 | 113.3 | -79.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 541 | H | 33.7 | Very low | 33.4 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -70.6 | 151.8 | 176.7 | -50.2 | -101.1 | 0 | 0 | 0 | 111.9 | | |
| 542 | T | 33.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | | | | 161 | 148.1 | 104.5 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 543 | V | 34.8 | Very low | 33.3 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | 56.2 | 119.9 | 151.3 | -62.3 | 0 | 0 | 0 | 0 | 124 | | |
| 544 | S | 31 | Very low | 33.2 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | | 52.8 | 124.8 | 126.9 | -56.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 545 | T | 31.1 | Very low | 33 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | | | | -161.7 | 142.9 | 114.5 | 17.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 546 | M | 36.8 | Very low | 32.9 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -105 | 161.2 | 165.6 | -126.2 | 172.3 | -172.2 | 0 | 0 | 106.8 | | |
| 547 | P | 48.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | | | | -162.9 | -179.4 | 80.5 | 44.4 | -23.5 | 0 | 0 | 0 | 119.1 | | |
| 548 | H | 35.2 | Very low | 33 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | | | trans | 70.7 | 99.7 | 150.8 | -61.2 | -45.5 | 0 | 0 | 0 | 123.6 | | |
| 549 | N | 29 | Very low | 32.8 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | | 62.1 | 150.1 | 104 | -158.4 | 40.5 | 0 | 0 | 0 | 123.3 | | |
| 550 | S | 29.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | 84.4 | 144.7 | 169.2 | -27.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 551 | G | 29.7 | Very low | 33.6 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | cis | 151.2 | 117.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 552 | M | 32.7 | Very low | 33.5 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | 77.8 | 122.2 | 150 | -63.8 | 160 | 63.1 | 0 | 0 | 123 | | |
| 553 | N | 31.9 | Very low | 33.4 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | 64.5 | 127.8 | 132 | -64.1 | -30.8 | 0 | 0 | 0 | 123.6 | | |
| 554 | R | 29.8 | Very low | 33.5 | Very low | 255 Ų | 255 | 144 Ų | 144 | 96% | 0.962 | 79% | 0.788 | S | S | * | * | | | | -154.6 | 155 | 128.4 | -110.1 | 177.9 | -157.4 | -97.6 | 1.1 | 113 | | |
| 555 | L | 31.1 | Very low | 34.2 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -107.7 | -173.8 | -172.3 | -90.9 | 149.1 | 0 | 0 | 0 | 112.4 | | |
| 556 | T | 31.8 | Very low | 34.5 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | 91.6 | 144.9 | 164.1 | 71.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 557 | Q | 33.9 | Very low | 35.1 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | cis | -159.5 | 137.1 | -6.3 | -116.1 | 179.6 | 7.7 | 0 | 0 | 109.3 | | |
| 558 | V | 31.1 | Very low | 34.7 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | | | | 68.1 | 117.2 | 96 | 177.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 559 | K | 28.9 | Very low | 35.3 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -178.8 | 104 | 143.6 | -130.7 | 149.4 | 175.2 | 179.2 | 0 | 110.7 | | |
| 560 | T | 30.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | | 59.4 | 151 | 89.4 | 60.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 561 | P | 51.6 | Low | 35.5 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | cis | -150.3 | -173.5 | -18 | 38.4 | -15.8 | 0 | 0 | 0 | 118.5 | | |
| 562 | V | 31.2 | Very low | 35.6 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 68.2 | 116.5 | 153.6 | -173.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 563 | Q | 30.7 | Very low | 35.5 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | | 169.2 | 158.3 | 99 | -147.1 | 158.4 | 4.4 | 0 | 0 | 112.8 | | |
| 564 | V | 35.9 | Very low | 35.4 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -141.3 | 143.2 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 565 | P | 45.6 | Very low | 35.5 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | | -139 | 162.3 | 121.4 | 15.4 | 7.7 | 0 | 0 | 0 | 116.1 | | |
| 566 | L | 38.5 | Very low | 35.4 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -77.8 | -179.1 | 175.1 | -120.3 | 76.9 | 0 | 0 | 0 | 112.5 | | |
| 567 | P | 49.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | cis | -135.6 | 173.1 | 27.1 | 35.7 | -12.9 | 0 | 0 | 0 | 118.5 | | |
| 568 | H | 39.5 | Very low | 35.1 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | | | trans | -91.7 | 170.1 | 169.2 | -60.3 | 49.6 | 0 | 0 | 0 | 110.8 | | |
| 569 | P | 47.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | | -151.8 | 155.1 | 85.6 | 38.5 | -19.8 | 0 | 0 | 0 | 117.8 | | |
| 570 | M | 31.7 | Very low | 34.9 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 60.8 | 153.8 | 141.8 | -71.2 | -176 | 157.8 | 0 | 0 | 121.6 | | |
| 571 | Q | 32.2 | Very low | 34.8 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 67% | 0.668 | 80% | 0.797 | S | S | * | * | | | cis | -171.2 | 125.8 | -21.1 | 167.3 | 176.7 | -11.7 | 0 | 0 | 109.3 | | |
| 572 | M | 32 | Very low | 33.7 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -172.5 | 106.3 | 135.4 | -105.5 | -61.3 | 177.1 | 0 | 0 | 108.6 | | |
| 573 | S | 29.4 | Very low | 33.6 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -120.2 | 133.5 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 574 | A | 31.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -149.6 | 93.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 575 | L | 31.7 | Very low | 33.4 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | | | trans | 67.1 | 109.4 | 150.8 | -50.4 | 178.1 | 0 | 0 | 0 | 118.6 | | |
| 576 | G | 29 | Very low | 32.9 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | -148 | 146.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 577 | A | 28.6 | Very low | 32.5 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | | | trans | 72 | 105.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 578 | Y | 30.6 | Very low | 31.9 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | | | | -100.6 | 129.6 | 124.1 | -3.6 | -86.9 | 0 | 0 | 0 | 107.5 | | |
| 579 | S | 27.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -107.3 | 135 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 580 | S | 27.7 | Very low | 30.7 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -157.5 | 128 | 156.5 | -83.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 581 | V | 29.6 | Very low | 30.5 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -102.8 | 141.5 | -176.5 | -75.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 582 | S | 27.8 | Very low | 30.4 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -164.9 | 138.4 | 151.7 | -84.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 583 | S | 28.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -132.7 | 135.1 | -169.4 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 584 | C | 30.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | -156.5 | 123.4 | 154.9 | 50.9 | 0 | 0 | 0 | 0 | 112 | | |
| 585 | N | 32.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 35.3 | 117.1 | 161.7 | -61.5 | 1.6 | 0 | 0 | 0 | 119.8 | | |
| 586 | G | 34 | Very low | 30.4 | Very low | 60 Ų | 60 | 134.8 Ų | 134.8 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | cis | 76.8 | 124 | 10.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 587 | Y | 31.8 | Very low | 30.8 | Very low | 192 Ų | 192 | 138 Ų | 138 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | cis | -129.5 | 114.6 | 29.5 | -76.3 | -107.2 | 0 | 0 | 0 | 114.4 | R589 | Y587-R589 HydrophobicContact CD1-CB 4.43Å; Y587-R589 HydrophobicContact CD1-CG 3.81Å; Y587-R589 HydrophobicContact CE1-CG 4.06Å |
| 588 | G | 35.3 | Very low | 31.3 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | S | Bend | | -105.6 | 135.5 | 115.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 589 | R | 34.5 | Very low | 31.9 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | trans | -118.7 | 123.2 | 166.6 | -90.3 | -165.6 | -179.7 | -112.3 | 9.8 | 107.5 | Y587 | Y587-R589 HydrophobicContact CD1-CB 4.43Å; Y587-R589 HydrophobicContact CD1-CG 3.81Å; Y587-R589 HydrophobicContact CE1-CG 4.06Å |
| 590 | M | 28.1 | Very low | 32.8 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | | 77.8 | 117 | 55.2 | -170.8 | 64.4 | 90.9 | 0 | 0 | 111.7 | | |
| 591 | S | 28.2 | Very low | 33.6 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -58.8 | 138.1 | 175.5 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 592 | L | 28.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 71% | 0.707 | 74% | 0.741 | S | S | * | * | | | trans | -132.8 | 116 | 166.2 | -150.5 | 162.7 | 0 | 0 | 0 | 106.5 | H594 | L592-H594 PolarHBondContact O-N 2.98Š|
| 593 | L | 32.8 | Very low | 35.2 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | -62.6 | 103.6 | 173.3 | -68.1 | 164.5 | 0 | 0 | 0 | 108.3 | | |
| 594 | H | 28.4 | Very low | 36.1 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 65% | 0.653 | 73% | 0.73 | S | S | * | * | | | trans | -100.2 | 101.3 | 148.6 | -148.7 | 85.7 | 0 | 0 | 0 | 107.9 | L592 E596 | L592-H594 PolarHBondContact O-N 2.98Å; H594-E596 IonicContact CD2-OE1 3.49Å; H594-E596 PolarHBondContact CD2-OE1 2.79Å; H594-E596 VanDerWaalsContact CD2-OE1 3.25Å; H594-E596 IonicContact NE2-OE1 2.71Å; H594-E596 PolarHBondContact O-N 3.1Å |
| 595 | Q | 34.4 | Very low | 36.9 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -65.8 | 85.2 | 160.8 | 178.6 | -167.2 | 98.1 | 0 | 0 | 106.6 | K597 | Q595-K597 VanDerWaalsContact C-N 3.34Å; Q595-K597 PolarHBondContact O-N 3.29Å |
| 596 | E | 29.8 | Very low | 37.4 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | trans | -63 | 103.8 | 165 | -84.2 | -61.1 | 153.9 | 0 | 0 | 107.4 | H594 L598 | H594-E596 IonicContact CD2-OE1 3.49Å; H594-E596 PolarHBondContact CD2-OE1 2.79Å; H594-E596 VanDerWaalsContact CD2-OE1 3.25Å; H594-E596 IonicContact NE2-OE1 2.71Å; H594-E596 PolarHBondContact O-N 3.1Å; E596-L598 PolarHBondContact O-N 3.46Å |
| 597 | K | 36 | Very low | 38.3 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | | | trans | -54.2 | 96.1 | 177.1 | 178.2 | 69.4 | 162.6 | 166.8 | 0 | 109.1 | Q595 S600 | Q595-K597 VanDerWaalsContact C-N 3.34Å; Q595-K597 PolarHBondContact O-N 3.29Å; K597-S600 VanDerWaalsContact CE-OG 3.31Å; K597-S600 WeakPolarHBondContact CE-OG 3.43Å; K597-S600 PolarHBondContact NZ-OG 3.39Å |
| 598 | L | 39.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -51.8 | 138.6 | 160.2 | -68.2 | 173.3 | 0 | 0 | 0 | 108.2 | E596 S600 | E596-L598 PolarHBondContact O-N 3.46Å; L598-S600 PolarHBondContact O-N 2.93Å; L598-S600 PolarHBondContact O-OG 3.42Å |
| 599 | P | 43.2 | Very low | 40 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | trans | -52.2 | 117 | 170.1 | -25.1 | 34.6 | 0 | 0 | 0 | 109.1 | D601 | P599-D601 PolarHBondContact O-N 3.04Š|
| 600 | S | 46.3 | Very low | 40.9 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 50% | 0.503 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -83.2 | 54.8 | -167.2 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | K597 L598 | K597-S600 VanDerWaalsContact CE-OG 3.31Å; K597-S600 WeakPolarHBondContact CE-OG 3.43Å; K597-S600 PolarHBondContact NZ-OG 3.39Å; L598-S600 PolarHBondContact O-N 2.93Å; L598-S600 PolarHBondContact O-OG 3.42Å |
| 601 | D | 44.7 | Very low | 41.8 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | -128.9 | 17.2 | -169.3 | -159.3 | 35.4 | 0 | 0 | 0 | 113.4 | P599 | P599-D601 PolarHBondContact O-N 3.04Š|
| 602 | L | 50.4 | Low | 42.8 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | | | trans | -134.4 | 8.8 | 175.3 | -72 | 176.9 | 0 | 0 | 0 | 114.9 | G604 M605 | L602-G604 PolarHBondContact O-N 3.05Å; L602-M605 HydrophobicContact CD2-CG 4.47Å |
| 603 | D | 40.8 | Very low | 44 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 10.5 | 171.1 | -77.2 | -44.4 | 0 | 0 | 0 | 113.4 | | |
| 604 | G | 47.6 | Very low | 45.2 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -1.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | L602 F606 | L602-G604 PolarHBondContact O-N 3.05Å; G604-F606 PolarHBondContact O-N 2.96Å |
| 605 | M | 46.6 | Very low | 46.6 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -94.5 | 98.7 | 179 | -65.3 | -127 | -61.6 | 0 | 0 | 110.9 | L602 I607 | L602-M605 HydrophobicContact CD2-CG 4.47Å; M605-I607 PolarHBondContact O-N 3.03Å |
| 606 | F | 44.3 | Very low | 47.8 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | | | trans | -49.1 | 119.1 | 173.6 | -73.5 | -103.5 | 0 | 0 | 0 | 111.3 | G604 E608 | G604-F606 PolarHBondContact O-N 2.96Å; F606-E608 PolarHBondContact O-N 3.34Å |
| 607 | I | 52.1 | Low | 49.2 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 92% | 0.923 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -80.2 | 46.1 | 174.2 | -66.4 | 161.4 | 0 | 0 | 0 | 109.5 | M605 | M605-I607 PolarHBondContact O-N 3.03Š|
| 608 | E | 53.1 | Low | 50.4 | Low | 165 Ų | 165 | 131.2 Ų | 131.2 | 77% | 0.771 | 69% | 0.694 | S | S | * | * | | | trans | -137.7 | 38.9 | -171.9 | -155.1 | 172.6 | -146.9 | 0 | 0 | 111.7 | F606 | F606-E608 PolarHBondContact O-N 3.34Š|
| 609 | R | 51 | Low | 51.3 | Low | 232 Ų | 232 | 132.3 Ų | 132.3 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | | | trans | -160.5 | 30 | 162 | -132.4 | 174.1 | -176.8 | 164.2 | 1.9 | 117.5 | | |
| 610 | L | 53.2 | Low | 51.9 | Low | 167 Ų | 167 | 131.9 Ų | 131.9 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | | | trans | -105.8 | 46.9 | 169.3 | -65.8 | -179.8 | 0 | 0 | 0 | 111.4 | | |
| 611 | D | 46.7 | Very low | 52.4 | Low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | | | trans | -86.5 | 105 | 159.9 | -141.8 | -33 | 0 | 0 | 0 | 107.3 | D613 | D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 2.83Å; D611-D613 VanDerWaalsContact O-N 3.07Å |
| 612 | C | 49.1 | Very low | 52.8 | Low | 104 Ų | 104 | 134.7 Ų | 134.7 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | | | trans | -81.6 | 86.1 | -179.1 | -64.6 | 0 | 0 | 0 | 0 | 108.4 | M614 | C612-M614 VanDerWaalsContact C-N 3.32Å; C612-M614 PolarHBondContact O-N 3.43Å |
| 613 | D | 53 | Low | 53.1 | Low | 93 Ų | 93 | 135.2 Ų | 135.2 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | | | trans | -58.8 | 90.7 | 177.5 | -178.3 | 0.9 | 0 | 0 | 0 | 111.3 | D611 E615 S616 | D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 2.83Å; D611-D613 VanDerWaalsContact O-N 3.07Å; D613-E615 PolarHBondContact O-N 3.46Å; D613-E615 WeakPolarHBondContact OD1-CA 3.33Å; D613-E615 WeakPolarHBondContact OD1-CB 3.24Å; D613-E615 PolarHBondContact OD1-N 3.33Å; D613-S616 PolarHBondContact O-N 3.14Å; D613-S616 PolarHBondContact OD1-N 3.15Å; D613-S616 WeakPolarHBondContact OD2-CB 3.48Å |
| 614 | M | 58.9 | Low | 53.6 | Low | 133 Ų | 133 | 133.8 Ų | 133.8 | 66% | 0.655 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.4 | -22.7 | 176.6 | -153.2 | -151.8 | -48.3 | 0 | 0 | 111.2 | C612 I617 I618 | C612-M614 VanDerWaalsContact C-N 3.32Å; C612-M614 PolarHBondContact O-N 3.43Å; M614-I617 PolarHBondContact O-N 3.42Å; M614-I618 HydrophobicContact CG-CD1 4.22Å; M614-I618 WeakPolarHBondContact O-CD1 3.14Å; M614-I618 VanDerWaalsContact O-CG1 3.26Å; M614-I618 WeakPolarHBondContact O-CG1 3.49Å; M614-I618 PolarHBondContact O-N 2.7Å; M614-I618 HydrophobicContact SD-CD1 3.9Å |
| 615 | E | 57.7 | Low | 53.4 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 52% | 0.523 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -73 | -37.1 | 179.3 | -117.5 | -175.8 | 121.2 | 0 | 0 | 111.6 | D613 I618 R619 | D613-E615 PolarHBondContact O-N 3.46Å; D613-E615 WeakPolarHBondContact OD1-CA 3.33Å; D613-E615 WeakPolarHBondContact OD1-CB 3.24Å; D613-E615 PolarHBondContact OD1-N 3.33Å; E615-I618 PolarHBondContact O-N 3.48Å; E615-R619 VanDerWaalsContact O-CB 3.28Å; E615-R619 WeakPolarHBondContact O-CB 3.35Å; E615-R619 WeakPolarHBondContact O-CG 3.48Å; E615-R619 PolarHBondContact O-N 3.25Å; E615-R619 IonicContact OE1-CZ 3.25Å; E615-R619 IonicContact OE1-NE 3.62Å; E615-R619 IonicContact OE1-NH2 2.66Å; E615-R619 PolarHBondContact OE1-NH2 3Å |
| 616 | S | 59.6 | Low | 53.3 | Low | 62 Ų | 62 | 134.3 Ų | 134.3 | 43% | 0.434 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | D613 R619 N620 | D613-S616 PolarHBondContact O-N 3.14Å; D613-S616 PolarHBondContact OD1-N 3.15Å; D613-S616 WeakPolarHBondContact OD2-CB 3.48Å; S616-R619 PolarHBondContact O-N 2.93Å; S616-N620 WeakPolarHBondContact O-CB 3.2Å; S616-N620 PolarHBondContact O-N 3.02Å |
| 617 | I | 59.4 | Low | 53.6 | Low | 100 Ų | 100 | 131.9 Ų | 131.9 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -64.3 | -47.8 | 177.3 | -60.1 | 172.3 | 0 | 0 | 0 | 110.5 | M614 R619 N620 D621 | M614-I617 PolarHBondContact O-N 3.42Å; I617-R619 PolarHBondContact O-N 2.65Å; I617-N620 PolarHBondContact O-N 3.37Å; I617-D621 PolarHBondContact O-N 2.84Å; I617-D621 VanDerWaalsContact O-N 3.07Å |
| 618 | I | 61 | Low | 53.5 | Low | 89 Ų | 89 | 130.6 Ų | 130.6 | 46% | 0.456 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 179.4 | -67.1 | 164.2 | 0 | 0 | 0 | 111.1 | M614 E615 L622 | M614-I618 HydrophobicContact CG-CD1 4.22Å; M614-I618 WeakPolarHBondContact O-CD1 3.14Å; M614-I618 VanDerWaalsContact O-CG1 3.26Å; M614-I618 WeakPolarHBondContact O-CG1 3.49Å; M614-I618 PolarHBondContact O-N 2.7Å; M614-I618 HydrophobicContact SD-CD1 3.9Å; E615-I618 PolarHBondContact O-N 3.48Å; I618-L622 HydrophobicContact CG2-CD2 4.47Å; I618-L622 WeakPolarHBondContact O-CB 3.4Å; I618-L622 PolarHBondContact O-N 3.07Å |
| 619 | R | 59.1 | Low | 52.7 | Low | 167 Ų | 167 | 129.1 Ų | 129.1 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73 | -32.1 | -179.5 | -69.5 | 174.7 | -169.2 | -141.2 | 11.6 | 113.1 | E615 S616 I617 M623 | E615-R619 VanDerWaalsContact O-CB 3.28Å; E615-R619 WeakPolarHBondContact O-CB 3.35Å; E615-R619 WeakPolarHBondContact O-CG 3.48Å; E615-R619 PolarHBondContact O-N 3.25Å; E615-R619 IonicContact OE1-CZ 3.25Å; E615-R619 IonicContact OE1-NE 3.62Å; E615-R619 IonicContact OE1-NH2 2.66Å; E615-R619 PolarHBondContact OE1-NH2 3Å; S616-R619 PolarHBondContact O-N 2.93Å; I617-R619 PolarHBondContact O-N 2.65Å; R619-M623 WeakPolarHBondContact O-CB 3.22Å |
| 620 | N | 55.3 | Low | 52.2 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 57% | 0.572 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -97.7 | -21.1 | -172.3 | -151 | 113.5 | 0 | 0 | 0 | 114.7 | S616 I617 | S616-N620 WeakPolarHBondContact O-CB 3.2Å; S616-N620 PolarHBondContact O-N 3.02Å; I617-N620 PolarHBondContact O-N 3.37Å |
| 621 | D | 57 | Low | 51.6 | Low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -99.1 | -16.4 | 174.7 | -85.1 | -56.6 | 0 | 0 | 0 | 113.6 | I617 | I617-D621 PolarHBondContact O-N 2.84Å; I617-D621 VanDerWaalsContact O-N 3.07Å |
| 622 | L | 52.3 | Low | 51.3 | Low | 134 Ų | 134 | 126.9 Ų | 126.9 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -105.6 | -17.2 | -174.7 | -165.1 | 58.4 | 0 | 0 | 0 | 114.8 | I618 | I618-L622 HydrophobicContact CG2-CD2 4.47Å; I618-L622 WeakPolarHBondContact O-CB 3.4Å; I618-L622 PolarHBondContact O-N 3.07Å |
| 623 | M | 58.3 | Low | 50.5 | Low | 147 Ų | 147 | 128.5 Ų | 128.5 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -102.2 | -18.6 | -176.5 | -68.7 | -94.8 | 58.4 | 0 | 0 | 114.8 | R619 G625 | R619-M623 WeakPolarHBondContact O-CB 3.22Å; M623-G625 VanDerWaalsContact C-N 3.3Å; M623-G625 PolarHBondContact O-N 2.81Å |
| 624 | D | 51.5 | Low | 49.9 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | | | trans | -94.4 | 45.8 | -179.7 | -68.5 | -45.7 | 0 | 0 | 0 | 112.5 | | |
| 625 | G | 43.2 | Very low | 48.7 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | | | trans | -117.6 | 81.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M623 | M623-G625 VanDerWaalsContact C-N 3.3Å; M623-G625 PolarHBondContact O-N 2.81Å |
| 626 | D | 42.8 | Very low | 47.8 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | | | trans | -51.9 | 144.8 | -175.1 | -85.3 | -54.5 | 0 | 0 | 0 | 115.1 | L628 | D626-L628 PolarHBondContact O-N 3.13Š|
| 627 | T | 52.1 | Low | 47.3 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | trans | -25.2 | 117.5 | 171.8 | 53.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 628 | L | 48.9 | Very low | 45.8 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | | | trans | -121.4 | 106.9 | 157.3 | -72.9 | 177 | 0 | 0 | 0 | 110.2 | D626 F630 | D626-L628 PolarHBondContact O-N 3.13Å; L628-F630 HydrophobicContact CB-CE2 4.46Å |
| 629 | D | 37.6 | Very low | 44.5 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -64.3 | 132.2 | 175.7 | 179.7 | 9.5 | 0 | 0 | 0 | 111.3 | N631 | D629-N631 PolarHBondContact OD1-N 3.19Š|
| 630 | F | 39.3 | Very low | 43 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | | | trans | -128.3 | 58.6 | 172.1 | -82.8 | -77 | 0 | 0 | 0 | 111.1 | L628 | L628-F630 HydrophobicContact CB-CE2 4.46Š|
| 631 | N | 41.8 | Very low | 42 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | | | trans | -72.1 | 119.2 | 160.9 | -135.4 | -33.6 | 0 | 0 | 0 | 110.2 | D629 | D629-N631 PolarHBondContact OD1-N 3.19Š|
| 632 | F | 39 | Very low | 41.3 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | | | trans | -137.4 | 108.6 | 162.2 | -105 | -77.9 | 0 | 0 | 0 | 111.2 | | |
| 633 | D | 32.5 | Very low | 40.4 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -71 | 158.6 | 177.7 | -150.7 | -52.1 | 0 | 0 | 0 | 111.6 | | |
| 634 | N | 40.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -105.1 | 91.7 | -166.9 | 178.5 | 32.6 | 0 | 0 | 0 | 111.6 | | |
| 635 | V | 35.2 | Very low | 38.4 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -134.1 | 102.8 | 178.3 | -169.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 636 | L | 38.7 | Very low | 38 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -67.2 | 151 | 158.8 | -98.3 | 154.8 | 0 | 0 | 0 | 110.2 | | |
| 637 | P | 47.5 | Very low | 37.8 | Very low | 97 Ų | 97 | 144 Ų | 144 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | | -159.3 | 174.1 | 79.2 | 42.5 | -22.8 | 0 | 0 | 0 | 118.7 | | |
| 638 | N | 29.4 | Very low | 36.8 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 67.8 | 140.6 | 157.9 | -74.7 | -57 | 0 | 0 | 0 | 118.1 | | |
| 639 | Q | 33 | Very low | 36.5 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | cis | -152.5 | 160 | 0.9 | -101.7 | -136.5 | 72.3 | 0 | 0 | 110.6 | | |
| 640 | S | 28.6 | Very low | 36.6 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | | | trans | 11.7 | 141.2 | 152.2 | -81.6 | 0 | 0 | 0 | 0 | 121 | | |
| 641 | F | 32.5 | Very low | 36.4 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | cis | -162.4 | -173.7 | 36.2 | -113.5 | -40.6 | 0 | 0 | 0 | 111.2 | | |
| 642 | P | 43.7 | Very low | 36.2 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | trans | -103.6 | 168.3 | -139.8 | 42.3 | -34.6 | 0 | 0 | 0 | 115.6 | | |
| 643 | H | 33.3 | Very low | 36.2 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | | | trans | -149.3 | 127.3 | 137.8 | -103 | 67 | 0 | 0 | 0 | 108.7 | | |
| 644 | S | 31.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -94.8 | 134.8 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 645 | V | 36 | Very low | 36.7 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -112.7 | 111.1 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | T647 | V645-T647 PolarHBondContact O-N 3.18Š|
| 646 | K | 35.5 | Very low | 36.8 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | | | trans | -81.1 | 107.1 | 174.6 | -74.9 | -176.9 | 175.4 | 178.1 | 0 | 109.6 | | |
| 647 | T | 38.2 | Very low | 36.7 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -74.4 | 119.9 | 161.3 | 51 | 0 | 0 | 0 | 0 | 108.7 | V645 | V645-T647 PolarHBondContact O-N 3.18Š|
| 648 | T | 31.9 | Very low | 36.1 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 66% | 0.656 | 83% | 0.826 | S | S | * | * | | | trans | -104.7 | 117.9 | 171 | -159.3 | 0 | 0 | 0 | 0 | 111.4 | H650 | T648-H650 PolarHBondContact OG1-CD2 3.14Å; T648-H650 VanDerWaalsContact OG1-CD2 3.31Å; T648-H650 PolarHBondContact OG1-NE2 2.81Å |
| 649 | T | 41.3 | Very low | 36.5 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | trans | -106.2 | 114.8 | 170.3 | 16.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 650 | H | 40.6 | Very low | 36.7 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 71% | 0.713 | 84% | 0.835 | S | S | * | * | | | trans | -107.4 | 122.5 | 173 | -73 | -70.7 | 0 | 0 | 0 | 110.8 | T648 | T648-H650 PolarHBondContact OG1-CD2 3.14Å; T648-H650 VanDerWaalsContact OG1-CD2 3.31Å; T648-H650 PolarHBondContact OG1-NE2 2.81Å |
| 651 | S | 35.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 84% | 0.839 | 85% | 0.854 | S | S | * | * | | | trans | -82.5 | 150 | 176.3 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 652 | W | 36.2 | Very low | 37.6 | Very low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.902 | 86% | 0.855 | S | S | * | * | | | trans | -110.1 | 104.3 | 174.7 | -72.9 | 90.9 | 0 | 0 | 0 | 110.8 | | |
| 653 | V | 39.9 | Very low | 37.1 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 86% | 0.861 | 87% | 0.87 | S | S | * | * | | | trans | -155.9 | 130.8 | 146.5 | 157.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 654 | S | 43.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | | | trans | -91.3 | 143.3 | 169.3 | -62.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 655 | G | 38.9 | Very low | 38 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 100% | 1.567 | 88% | 0.876 | S | S | * | * | | | trans | -117.2 | 0 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |