| 1 | M | 44.7 | Very low | 45 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 100% | 1.182 | 85% | 0.846 | S | S | * | * | | | | 0 | 112.2 | 0 | -54.5 | -117.4 | -103.5 | 0 | 0 | 105.4 | | |
| 2 | S | 47.7 | Very low | 45.1 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 78% | 0.783 | 85% | 0.846 | S | S | * | * | | | cis | -156 | 148 | -1.3 | -69.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 3 | N | 40.5 | Very low | 45.2 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 82% | 0.824 | 85% | 0.847 | S | S | * | * | | | trans | -63.6 | 134.9 | 174.7 | -70 | -18.8 | 0 | 0 | 0 | 110.7 | | |
| 4 | E | 55 | Low | 45.1 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | | | trans | -119.4 | 123.7 | 151.8 | -78.2 | -169 | 143.8 | 0 | 0 | 109 | | |
| 5 | Q | 48.9 | Very low | 45.3 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | | | trans | -82.9 | 133.1 | -169.3 | -63.1 | 175 | -15.3 | 0 | 0 | 109.3 | S7 | Q5-S7 PolarHBondContact O-N 3.39Š|
| 6 | I | 48.5 | Very low | 45.3 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 92% | 0.923 | 82% | 0.822 | S | S | * | * | | | trans | -81.7 | 103.1 | 168.1 | -58.8 | 169.4 | 0 | 0 | 0 | 106.5 | | |
| 7 | S | 46.1 | Very low | 45.5 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | | | trans | -84.9 | 113.8 | -179.2 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | Q5 | Q5-S7 PolarHBondContact O-N 3.39Š|
| 8 | T | 40.8 | Very low | 45.5 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | 41.7 | 122.5 | 137 | 60.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 9 | G | 39.6 | Very low | 45.1 | Very low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -170.6 | 69.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111 | T11 | G9-T11 PolarHBondContact O-N 3.19Š|
| 10 | N | 36.2 | Very low | 45.2 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | | | trans | -58.8 | 120.5 | 169.3 | -64.9 | -8.7 | 0 | 0 | 0 | 108.3 | | |
| 11 | T | 46.6 | Very low | 45.1 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -145.3 | 119.7 | 154.3 | -38.3 | 0 | 0 | 0 | 0 | 108 | G9 E13 | G9-T11 PolarHBondContact O-N 3.19Å; T11-E13 PolarHBondContact O-N 2.72Å |
| 12 | E | 46.2 | Very low | 44.7 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -55.6 | 96 | 179.7 | -63.4 | 159.1 | 160.6 | 0 | 0 | 109.4 | T14 | E12-T14 PolarHBondContact O-N 2.66Š|
| 13 | E | 46.5 | Very low | 44.3 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -77.2 | 88 | 170.6 | -156.7 | 170.6 | -160.2 | 0 | 0 | 107.8 | T11 V15 | T11-E13 PolarHBondContact O-N 2.72Å; E13-V15 PolarHBondContact O-N 3.23Å |
| 14 | T | 44.8 | Very low | 44.4 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -53.6 | 107.8 | 167.1 | -61.5 | 0 | 0 | 0 | 0 | 107.2 | E12 N16 | E12-T14 PolarHBondContact O-N 2.66Å; T14-N16 PolarHBondContact O-N 3.31Å |
| 15 | V | 47.3 | Very low | 43.9 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | trans | -65.2 | 85.6 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | E13 Y17 | E13-V15 PolarHBondContact O-N 3.23Å; V15-Y17 VanDerWaalsContact C-N 3.34Å; V15-Y17 HydrophobicContact CG1-CD2 3.79Å; V15-Y17 HydrophobicContact CG1-CE2 3.59Å; V15-Y17 PolarHBondContact O-N 3.05Å; V15-Y17 VanDerWaalsContact O-N 3.11Å |
| 16 | N | 46.1 | Very low | 43.5 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -80.6 | 89.3 | 173.8 | -155.4 | 18.5 | 0 | 0 | 0 | 106.6 | T14 P18 | T14-N16 PolarHBondContact O-N 3.31Å; N16-P18 VanDerWaalsContact O-CD 3.3Å; N16-P18 WeakPolarHBondContact O-CD 2.85Å |
| 17 | Y | 47.5 | Very low | 43.2 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | -54.3 | 119.2 | 169.4 | -81.9 | -93.7 | 0 | 0 | 0 | 108.1 | V15 N19 | V15-Y17 VanDerWaalsContact C-N 3.34Å; V15-Y17 HydrophobicContact CG1-CD2 3.79Å; V15-Y17 HydrophobicContact CG1-CE2 3.59Å; V15-Y17 PolarHBondContact O-N 3.05Å; V15-Y17 VanDerWaalsContact O-N 3.11Å; Y17-N19 PolarHBondContact O-N 3.27Å |
| 18 | P | 47 | Very low | 43 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | -64.4 | 113.1 | 165.7 | 25.8 | -28.2 | 0 | 0 | 0 | 106.8 | N16 E20 | N16-P18 VanDerWaalsContact O-CD 3.3Å; N16-P18 WeakPolarHBondContact O-CD 2.85Å; P18-E20 VanDerWaalsContact C-N 3.33Å; P18-E20 PolarHBondContact O-N 3.1Å |
| 19 | N | 36.7 | Very low | 43.3 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -62.7 | 93.2 | 171.6 | -170.5 | 27.9 | 0 | 0 | 0 | 107.7 | Y17 I21 | Y17-N19 PolarHBondContact O-N 3.27Å; N19-I21 PolarHBondContact O-N 3.3Å |
| 20 | E | 48.3 | Very low | 43.8 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -75 | 71.3 | 174.7 | -62.7 | -156.8 | -169.4 | 0 | 0 | 110 | P18 | P18-E20 VanDerWaalsContact C-N 3.33Å; P18-E20 PolarHBondContact O-N 3.1Å |
| 21 | I | 41.8 | Very low | 44.4 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 65% | 0.651 | 76% | 0.755 | S | S | * | * | | | trans | -113.7 | 100.1 | 160.6 | -58.1 | 174 | 0 | 0 | 0 | 105.5 | N19 | N19-I21 PolarHBondContact O-N 3.3Š|
| 22 | E | 37 | Very low | 44.7 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | | | trans | 149 | 137.8 | 142.9 | -84 | -164 | 162.7 | 0 | 0 | 111.9 | | |
| 23 | R | 38.6 | Very low | 44.9 | Very low | 203 Ų | 203 | 151.2 Ų | 151.2 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | trans | 79.6 | 122.3 | 160.5 | -29.5 | -162 | -172.5 | 164.3 | 4.2 | 115 | | |
| 24 | N | 43.9 | Very low | 45.1 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | cis | -149.5 | 115.8 | 44.1 | -66.6 | -64.3 | 0 | 0 | 0 | 111.3 | D26 | N24-D26 PolarHBondContact O-N 3.4Š|
| 25 | Q | 43.5 | Very low | 45.6 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | | | trans | -73.8 | 97.6 | 149.1 | -72 | -176.7 | 2.4 | 0 | 0 | 105.8 | | |
| 26 | D | 40.5 | Very low | 46.2 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | -177.6 | 68 | 160.4 | -90.3 | -27.8 | 0 | 0 | 0 | 109.2 | N24 | N24-D26 PolarHBondContact O-N 3.4Š|
| 27 | Q | 42.4 | Very low | 46.6 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -92.3 | 82 | 154.3 | -74.2 | -161 | 25.3 | 0 | 0 | 107.7 | Y29 | Q27-Y29 HydrophobicContact CB-CE2 4.37Å; Q27-Y29 PolarHBondContact O-N 2.92Å |
| 28 | Q | 42.7 | Very low | 47.3 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -73.2 | 100.4 | 161.7 | -83.7 | -176.2 | -0.9 | 0 | 0 | 108 | | |
| 29 | Y | 45.5 | Very low | 48.2 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | trans | -58.1 | 146.5 | 163.9 | -76.3 | -94.8 | 0 | 0 | 0 | 109.4 | Q27 T31 | Q27-Y29 HydrophobicContact CB-CE2 4.37Å; Q27-Y29 PolarHBondContact O-N 2.92Å; Y29-T31 PolarHBondContact O-N 2.71Å |
| 30 | P | 50.9 | Low | 49.7 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | trans | -62 | 106.1 | 171.6 | 25 | -30.5 | 0 | 0 | 0 | 108.2 | K32 | P30-K32 PolarHBondContact O-N 3.21Š|
| 31 | T | 48.2 | Very low | 50.8 | Low | 126 Ų | 126 | 152.1 Ų | 152.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -64.6 | 92.3 | 166.1 | -54.7 | 0 | 0 | 0 | 0 | 106.4 | Y29 D33 | Y29-T31 PolarHBondContact O-N 2.71Å; T31-D33 PolarHBondContact O-N 3.21Å |
| 32 | K | 53.5 | Low | 52.3 | Low | 170 Ų | 170 | 153 Ų | 153 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | | | trans | -62.7 | 109.8 | 162.4 | -65.8 | -165.5 | 178.6 | -174.2 | 0 | 105.7 | P30 D34 | P30-K32 PolarHBondContact O-N 3.21Å; K32-D34 PolarHBondContact O-N 2.9Å |
| 33 | D | 49.4 | Very low | 54 | Low | 153 Ų | 153 | 150.5 Ų | 150.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -64.5 | 70.9 | 163.3 | -92.8 | -33.7 | 0 | 0 | 0 | 108.1 | T31 S35 | T31-D33 PolarHBondContact O-N 3.21Å; D33-S35 PolarHBondContact O-N 3.43Å |
| 34 | D | 51.6 | Low | 55.5 | Low | 125 Ų | 125 | 146.6 Ų | 146.6 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | | | trans | -72.7 | 80.6 | 158.4 | -82.7 | -23.1 | 0 | 0 | 0 | 105.7 | K32 M36 | K32-D34 PolarHBondContact O-N 2.9Å; D34-M36 PolarHBondContact O-N 3.09Å |
| 35 | S | 55.2 | Low | 56.5 | Low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -62.4 | 79.3 | 165.9 | -169.7 | 0 | 0 | 0 | 0 | 108 | D33 Q37 | D33-S35 PolarHBondContact O-N 3.43Å; S35-Q37 PolarHBondContact O-N 2.94Å; S35-Q37 VanDerWaalsContact O-N 3.12Å |
| 36 | M | 60.1 | Low | 57.5 | Low | 162 Ų | 162 | 143.7 Ų | 143.7 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | trans | -68.7 | 107.4 | 167.8 | -67.5 | -136 | -137.8 | 0 | 0 | 106.9 | D34 S38 | D34-M36 PolarHBondContact O-N 3.09Å; M36-S38 PolarHBondContact O-N 3.19Å |
| 37 | Q | 54.3 | Low | 58.3 | Low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | -57.7 | 112.3 | 164.3 | -64.5 | -163.3 | -57.7 | 0 | 0 | 107.1 | S35 E39 | S35-Q37 PolarHBondContact O-N 2.94Å; S35-Q37 VanDerWaalsContact O-N 3.12Å; Q37-E39 PolarHBondContact O-N 3.03Å |
| 38 | S | 63.1 | Low | 59 | Low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | -73.3 | 107.2 | 173.5 | 20.5 | 0 | 0 | 0 | 0 | 107.2 | M36 E40 | M36-S38 PolarHBondContact O-N 3.19Å; S38-E40 PolarHBondContact O-N 3.12Å |
| 39 | E | 65.2 | Low | 59.7 | Low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | | | trans | -64.4 | 114.4 | 165.1 | -70.6 | -177.8 | 163 | 0 | 0 | 108.1 | Q37 L41 | Q37-E39 PolarHBondContact O-N 3.03Å; E39-L41 PolarHBondContact O-N 3.46Å |
| 40 | E | 67.4 | Low | 60.2 | Low | 141 Ų | 141 | 143.1 Ų | 143.1 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | | | trans | -73 | 104.5 | 173.8 | -172.1 | 171.5 | -162.1 | 0 | 0 | 108.3 | S38 I42 K136 | S38-E40 PolarHBondContact O-N 3.12Å; E40-I42 PolarHBondContact O-N 3.33Å; E40-K136 IonicContact OE1-NZ 3.81Å; E40-K136 PolarHBondContact OE1-NZ 3.09Å |
| 41 | L | 72 | Confident | 60.2 | Low | 156 Ų | 156 | 146.7 Ų | 146.7 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | trans | -75 | 107.4 | 170.7 | -103.7 | 151.4 | 0 | 0 | 0 | 109.4 | E39 V43 | E39-L41 PolarHBondContact O-N 3.46Å; L41-V43 PolarHBondContact O-N 3.2Å |
| 42 | I | 72.5 | Confident | 60.5 | Low | 146 Ų | 146 | 148.6 Ų | 148.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -83.4 | 104.5 | 170.9 | -57.3 | 173.8 | 0 | 0 | 0 | 107.8 | E40 | E40-I42 PolarHBondContact O-N 3.33Š|
| 43 | V | 74 | Confident | 60.2 | Low | 91 Ų | 91 | 148.3 Ų | 148.3 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | | | trans | -91.4 | 113.9 | 173 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | L41 H45 | L41-V43 PolarHBondContact O-N 3.2Å; V43-H45 PolarHBondContact O-N 2.76Å |
| 44 | N | 69.9 | Low | 60 | Low | 121 Ų | 121 | 146.6 Ų | 146.6 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | | | trans | -78.4 | 104.4 | 178.3 | -147.4 | 1.9 | 0 | 0 | 0 | 108.9 | N46 | N44-N46 PolarHBondContact O-N 2.91Š|
| 45 | H | 65.4 | Low | 60.3 | Low | 133 Ų | 133 | 149.5 Ų | 149.5 | 62% | 0.616 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -75.6 | 3.3 | -174.9 | -72.1 | -67.4 | 0 | 0 | 0 | 114.7 | V43 E47 | V43-H45 PolarHBondContact O-N 2.76Å; H45-E47 VanDerWaalsContact C-N 3.32Å; H45-E47 PolarHBondContact O-N 2.76Å |
| 46 | N | 62.9 | Low | 60.3 | Low | 145 Ų | 145 | 150.3 Ų | 150.3 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -82.2 | -1.8 | -173.3 | -71.7 | -7.9 | 0 | 0 | 0 | 114.9 | N44 | N44-N46 PolarHBondContact O-N 2.91Š|
| 47 | E | 58.7 | Low | 59.9 | Low | 176 Ų | 176 | 150.7 Ų | 150.7 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -115.1 | 3.9 | 179 | -67 | -178.3 | -175.5 | 0 | 0 | 113.6 | H45 D49 | H45-E47 VanDerWaalsContact C-N 3.32Å; H45-E47 PolarHBondContact O-N 2.76Å; E47-D49 PolarHBondContact O-N 3.07Å |
| 48 | L | 56.3 | Low | 59.6 | Low | 145 Ų | 145 | 147.9 Ų | 147.9 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | -85.8 | 56.4 | 173.6 | -74.1 | 167.7 | 0 | 0 | 0 | 110.8 | | |
| 49 | D | 56.9 | Low | 59.7 | Low | 129 Ų | 129 | 147 Ų | 147 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -126.1 | 114.4 | 168.5 | -159.4 | 13.9 | 0 | 0 | 0 | 108.6 | E47 | E47-D49 PolarHBondContact O-N 3.07Š|
| 50 | K | 56.1 | Low | 59.5 | Low | 184 Ų | 184 | 143.8 Ų | 143.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | 75.2 | 78.8 | 172.7 | -44.8 | -172.7 | -173.8 | -174.1 | 0 | 117.2 | | |
| 51 | H | 50.8 | Low | 59.3 | Low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | | | trans | -113.7 | 100.8 | 142.1 | -145.4 | -60.9 | 0 | 0 | 0 | 109.5 | | |
| 52 | E | 55.9 | Low | 58.8 | Low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | | | trans | -62.7 | 130.5 | 165.1 | -165.9 | 164.5 | -176.2 | 0 | 0 | 108.4 | | |
| 53 | E | 45.5 | Very low | 58.2 | Low | 165 Ų | 165 | 147.4 Ų | 147.4 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | | | trans | 21.4 | 110.8 | 148.9 | -164.8 | 168.9 | -161.1 | 0 | 0 | 118.8 | | |
| 54 | N | 45.2 | Very low | 57.4 | Low | 116 Ų | 116 | 149 Ų | 149 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | trans | -148.3 | 95.4 | 139.9 | -149.5 | -7.8 | 0 | 0 | 0 | 110 | N56 | N54-N56 PolarHBondContact O-N 3.47Å; N54-N56 PolarHBondContact OD1-ND2 3.2Å |
| 55 | Q | 58.8 | Low | 57.1 | Low | 186 Ų | 186 | 149.1 Ų | 149.1 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 21.3 | 174.5 | -68.3 | -147.3 | -12.1 | 0 | 0 | 113.8 | | |
| 56 | N | 55.4 | Low | 56.8 | Low | 126 Ų | 126 | 150.9 Ų | 150.9 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 18.5 | -172.3 | -57.1 | -34.7 | 0 | 0 | 0 | 114.1 | N54 T58 | N54-N56 PolarHBondContact O-N 3.47Å; N54-N56 PolarHBondContact OD1-ND2 3.2Å; N56-T58 PolarHBondContact O-N 3.28Å |
| 57 | E | 51.7 | Low | 56.5 | Low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | trans | -74.5 | 91.4 | 175.1 | -164.7 | 166.9 | -163.2 | 0 | 0 | 110.6 | V59 | E57-V59 HydrophobicContact CG-CG2 4.33Å; E57-V59 PolarHBondContact O-N 3.16Å; E57-V59 VanDerWaalsContact O-N 3.12Å |
| 58 | T | 48.9 | Very low | 56.4 | Low | 122 Ų | 122 | 149.1 Ų | 149.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -73 | 95.9 | 166.8 | -56.8 | 0 | 0 | 0 | 0 | 107.7 | N56 V60 | N56-T58 PolarHBondContact O-N 3.28Å; T58-V60 HydrophobicContact CG2-CG2 4.46Å; T58-V60 PolarHBondContact O-N 3.21Å |
| 59 | V | 64.3 | Low | 56.5 | Low | 98 Ų | 98 | 148.4 Ų | 148.4 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | | | trans | -69.1 | 102.4 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | E57 M61 | E57-V59 HydrophobicContact CG-CG2 4.33Å; E57-V59 PolarHBondContact O-N 3.16Å; E57-V59 VanDerWaalsContact O-N 3.12Å; V59-M61 VanDerWaalsContact C-N 3.34Å; V59-M61 HydrophobicContact CG1-CG 4.15Å; V59-M61 HydrophobicContact CG1-SD 3.98Å; V59-M61 PolarHBondContact O-N 3.49Å |
| 60 | V | 60.3 | Low | 56.4 | Low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -71.7 | 92.4 | 170.4 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | T58 K62 | T58-V60 HydrophobicContact CG2-CG2 4.46Å; T58-V60 PolarHBondContact O-N 3.21Å; V60-K62 PolarHBondContact O-N 2.98Å; V60-K62 VanDerWaalsContact O-N 3.14Å |
| 61 | M | 64.6 | Low | 56.5 | Low | 161 Ų | 161 | 145.8 Ų | 145.8 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | | | trans | -70.5 | 103 | 168.9 | -65.6 | -73 | -75.1 | 0 | 0 | 107.8 | V59 E63 | V59-M61 VanDerWaalsContact C-N 3.34Å; V59-M61 HydrophobicContact CG1-CG 4.15Å; V59-M61 HydrophobicContact CG1-SD 3.98Å; V59-M61 PolarHBondContact O-N 3.49Å; M61-E63 PolarHBondContact O-N 2.91Å |
| 62 | K | 60.7 | Low | 56.6 | Low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | | | trans | -63.9 | 121.3 | 164.9 | -76.6 | -175.4 | 177 | -178.2 | 0 | 107.8 | V60 N64 | V60-K62 PolarHBondContact O-N 2.98Å; V60-K62 VanDerWaalsContact O-N 3.14Å; K62-N64 PolarHBondContact O-N 3Å; K62-N64 VanDerWaalsContact O-N 3.1Å |
| 63 | E | 59 | Low | 56.5 | Low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -57.4 | 111.8 | 173.4 | -167.5 | 168.9 | -159.8 | 0 | 0 | 108.6 | M61 D65 | M61-E63 PolarHBondContact O-N 2.91Å; E63-D65 PolarHBondContact O-N 3.12Å |
| 64 | N | 58.4 | Low | 56.7 | Low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | | | trans | -92.5 | 91.4 | 174.1 | -176.9 | 27.3 | 0 | 0 | 0 | 107.7 | K62 Q66 | K62-N64 PolarHBondContact O-N 3Å; K62-N64 VanDerWaalsContact O-N 3.1Å; N64-Q66 PolarHBondContact O-N 3.06Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.48Å |
| 65 | D | 62.7 | Low | 57.1 | Low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 3.6 | -179.6 | -72 | -34.1 | 0 | 0 | 0 | 114.7 | E63 C67 | E63-D65 PolarHBondContact O-N 3.12Å; D65-C67 VanDerWaalsContact C-N 3.32Å; D65-C67 PolarHBondContact O-N 3.14Å |
| 66 | Q | 60.5 | Low | 56.8 | Low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.2 | -174.3 | -152.9 | 86.3 | 64.2 | 0 | 0 | 114.1 | N64 | N64-Q66 PolarHBondContact O-N 3.06Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.48Å |
| 67 | C | 54.8 | Low | 56.7 | Low | 95 Ų | 95 | 134 Ų | 134 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | | | trans | -104 | 59.8 | -178.2 | -157.4 | 0 | 0 | 0 | 0 | 112.7 | D65 I69 | D65-C67 VanDerWaalsContact C-N 3.32Å; D65-C67 PolarHBondContact O-N 3.14Å; C67-I69 VanDerWaalsContact C-N 3.35Å; C67-I69 PolarHBondContact O-N 2.83Å |
| 68 | K | 58 | Low | 57 | Low | 189 Ų | 189 | 132.5 Ų | 132.5 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | | | trans | -79.1 | 87.9 | 161.2 | -71.5 | -172.1 | -179.6 | -177.1 | 0 | 108.4 | D70 | K68-D70 PolarHBondContact O-N 3.31Š|
| 69 | I | 57.3 | Low | 57.1 | Low | 129 Ų | 129 | 134.1 Ų | 134.1 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | | | trans | -76.4 | 108.6 | 166.7 | -67.1 | 170.5 | 0 | 0 | 0 | 107 | C67 V71 | C67-I69 VanDerWaalsContact C-N 3.35Å; C67-I69 PolarHBondContact O-N 2.83Å; I69-V71 WeakPolarHBondContact O-CG2 3.39Å; I69-V71 PolarHBondContact O-N 2.97Å |
| 70 | D | 55.3 | Low | 56.6 | Low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | | | trans | -64.1 | 103.7 | 170.8 | -84.2 | -39.2 | 0 | 0 | 0 | 109.8 | K68 N72 | K68-D70 PolarHBondContact O-N 3.31Å; D70-N72 PolarHBondContact O-N 3.49Å |
| 71 | V | 57.6 | Low | 56 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 28.6 | 177.9 | -161.1 | 0 | 0 | 0 | 0 | 111.8 | I69 | I69-V71 WeakPolarHBondContact O-CG2 3.39Å; I69-V71 PolarHBondContact O-N 2.97Å |
| 72 | N | 54.8 | Low | 55.3 | Low | 141 Ų | 141 | 138.5 Ų | 138.5 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -5.3 | -176.9 | -78.7 | -3 | 0 | 0 | 0 | 114 | D70 | D70-N72 PolarHBondContact O-N 3.49Š|
| 73 | S | 52.4 | Low | 54.4 | Low | 78 Ų | 78 | 136 Ų | 136 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -90.2 | -10.8 | -174.9 | -174 | 0 | 0 | 0 | 0 | 115.4 | I77 | S73-I77 WeakPolarHBondContact O-CD1 3.38Å; S73-I77 WeakPolarHBondContact O-CG1 3.42Å |
| 74 | S | 50.9 | Low | 53.9 | Low | 84 Ų | 84 | 137.5 Ų | 137.5 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -15.4 | -171.6 | -59.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 75 | L | 53.3 | Low | 52.9 | Low | 123 Ų | 123 | 139.3 Ų | 139.3 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -25.3 | 179.2 | -166.3 | 66.8 | 0 | 0 | 0 | 113 | | |
| 76 | E | 52.3 | Low | 52 | Low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -28.4 | 179 | -68.1 | -162 | 143 | 0 | 0 | 112.9 | L78 K79 | E76-L78 PolarHBondContact O-N 2.85Å; E76-K79 PolarHBondContact O-N 3.2Å; E76-K79 VanDerWaalsContact O-N 3.17Å |
| 77 | I | 53.9 | Low | 51.1 | Low | 122 Ų | 122 | 142.5 Ų | 142.5 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -25.9 | 179.6 | -53.9 | 169.4 | 0 | 0 | 0 | 111.5 | S73 | S73-I77 WeakPolarHBondContact O-CD1 3.38Å; S73-I77 WeakPolarHBondContact O-CG1 3.42Å |
| 78 | L | 56.4 | Low | 50.4 | Low | 138 Ų | 138 | 146.4 Ų | 146.4 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12.7 | 178.1 | -79.2 | 162.6 | 0 | 0 | 0 | 114.3 | E76 | E76-L78 PolarHBondContact O-N 2.85Š|
| 79 | K | 51.6 | Low | 49.5 | Very low | 155 Ų | 155 | 145 Ų | 145 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -16 | -179.1 | -69.6 | -178.9 | -178.2 | 174.8 | 0 | 113.4 | E76 Q81 | E76-K79 PolarHBondContact O-N 3.2Å; E76-K79 VanDerWaalsContact O-N 3.17Å; K79-Q81 VanDerWaalsContact C-N 3.32Å; K79-Q81 PolarHBondContact O-N 3.18Å |
| 80 | S | 54.4 | Low | 48.8 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.7 | -175.6 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 81 | Q | 48.2 | Very low | 48.5 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 11.3 | -176.6 | -130.9 | -179.1 | 15.6 | 0 | 0 | 114.4 | K79 | K79-Q81 VanDerWaalsContact C-N 3.32Å; K79-Q81 PolarHBondContact O-N 3.18Å |
| 82 | K | 49.1 | Very low | 47.9 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -101.1 | -1.9 | -172 | -166.1 | 161 | -179.4 | 175 | 0 | 115.4 | | |
| 83 | N | 42.5 | Very low | 47.5 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -134 | 98.2 | -173.1 | -60.9 | -10.9 | 0 | 0 | 0 | 110.3 | | |
| 84 | E | 47.1 | Very low | 47.1 | Very low | 198 Ų | 198 | 154.6 Ų | 154.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | 165.9 | 81.2 | 151.5 | -96.2 | 172.9 | 179.7 | 0 | 0 | 109.6 | | |
| 85 | N | 37.3 | Very low | 47.3 | Very low | 161 Ų | 161 | 158.6 Ų | 158.6 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -116.7 | 107.2 | 163 | -94.3 | 3.1 | 0 | 0 | 0 | 106.4 | | |
| 86 | E | 44 | Very low | 47.2 | Very low | 183 Ų | 183 | 162.3 Ų | 162.3 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -171.4 | 122.9 | 155.2 | -107.2 | 169.3 | -143.4 | 0 | 0 | 111.8 | | |
| 87 | K | 41.9 | Very low | 47 | Very low | 180 Ų | 180 | 164.2 Ų | 164.2 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | 87.8 | 108.4 | 161.7 | -62.5 | 177.8 | 175.7 | 175.7 | 0 | 118.8 | | |
| 88 | E | 39.3 | Very low | 47.2 | Very low | 176 Ų | 176 | 166.3 Ų | 166.3 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | | 61.3 | 128.3 | 85.1 | -91.7 | -179.5 | 165 | 0 | 0 | 112.2 | | |
| 89 | E | 40.6 | Very low | 47.2 | Very low | 159 Ų | 159 | 164.4 Ų | 164.4 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | | | cis | -165.6 | 135.7 | 43 | -115.3 | 170.6 | 161.8 | 0 | 0 | 107.9 | | |
| 90 | E | 40.9 | Very low | 47.1 | Very low | 154 Ų | 154 | 164.9 Ų | 164.9 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | | | | 69.1 | 112.1 | 105.6 | -161.1 | 175 | -155.6 | 0 | 0 | 116.4 | | |
| 91 | N | 49.9 | Very low | 47.5 | Very low | 149 Ų | 149 | 168.5 Ų | 168.5 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | 175.3 | 98.5 | 133.1 | -92.3 | -61 | 0 | 0 | 0 | 113.7 | | |
| 92 | D | 44.2 | Very low | 47.6 | Very low | 160 Ų | 160 | 169.3 Ų | 169.3 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | | | trans | 21.5 | 119.1 | 143.5 | -82.7 | -21.9 | 0 | 0 | 0 | 122.6 | | |
| 93 | T | 46.7 | Very low | 48.4 | Very low | 135 Ų | 135 | 168.3 Ų | 168.3 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | | | trans | -113.5 | 113.5 | 159.6 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 94 | K | 44 | Very low | 48.7 | Very low | 210 Ų | 210 | 168.5 Ų | 168.5 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | | | trans | -93.9 | 102.3 | 170.4 | -173.2 | 176.5 | -173.5 | 179.6 | 0 | 109.2 | | |
| 95 | L | 55.8 | Low | 49.3 | Very low | 168 Ų | 168 | 164.5 Ų | 164.5 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -102 | 137 | 172 | -74.4 | 177.2 | 0 | 0 | 0 | 111.8 | | |
| 96 | K | 51.7 | Low | 49.8 | Very low | 201 Ų | 201 | 164.7 Ų | 164.7 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 123.4 | -169.2 | -166.8 | 174.1 | -179.6 | -176.6 | 0 | 108.8 | | |
| 97 | E | 48 | Very low | 50.2 | Low | 189 Ų | 189 | 166 Ų | 166 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.6 | 174.6 | -165.3 | 177.1 | -163.3 | 0 | 0 | 111.2 | | |
| 98 | I | 57.8 | Low | 50.2 | Low | 167 Ų | 167 | 162.1 Ų | 162.1 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | | | trans | -107.1 | 115 | 168.6 | 47.3 | 168.2 | 0 | 0 | 0 | 109.1 | | |
| 99 | S | 55.2 | Low | 50.8 | Low | 98 Ų | 98 | 159.5 Ų | 159.5 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | | | trans | -81.9 | 123.6 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 100 | D | 50.5 | Low | 51 | Low | 165 Ų | 165 | 157.5 Ų | 157.5 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | | | trans | -71.2 | 132.9 | 162.5 | -112.6 | -23 | 0 | 0 | 0 | 108.9 | | |
| 101 | K | 62.5 | Low | 51.4 | Low | 180 Ų | 180 | 158.1 Ų | 158.1 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | | | trans | -126.1 | 117.8 | 169.2 | -72.2 | -161.6 | 177.2 | -174.3 | 0 | 108.6 | D103 | K101-D103 PolarHBondContact O-N 3.46Š|
| 102 | E | 51.3 | Low | 51 | Low | 201 Ų | 201 | 159.1 Ų | 159.1 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | | | trans | -54.7 | 126.4 | 159.7 | -62.5 | 179.6 | 139.8 | 0 | 0 | 108.6 | | |
| 103 | D | 64.4 | Low | 51.1 | Low | 162 Ų | 162 | 158.2 Ų | 158.2 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | | | trans | -137.6 | 126.6 | 164.6 | -153 | 7.4 | 0 | 0 | 0 | 109.9 | K101 | K101-D103 PolarHBondContact O-N 3.46Š|
| 104 | D | 49.6 | Very low | 51 | Low | 143 Ų | 143 | 155.3 Ų | 155.3 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | | | trans | -92.5 | 125.5 | -169.7 | -169.2 | 5.1 | 0 | 0 | 0 | 107.9 | | |
| 105 | S | 60.1 | Low | 51 | Low | 114 Ų | 114 | 152.7 Ų | 152.7 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | | | trans | -148.7 | 89.2 | 172.1 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 106 | E | 46.9 | Very low | 51.1 | Low | 165 Ų | 165 | 154.3 Ų | 154.3 | 77% | 0.771 | 83% | 0.829 | S | S | * | * | | | trans | -39.7 | 131.5 | 152.9 | -56.3 | -179.9 | 145.1 | 0 | 0 | 112.6 | | |
| 107 | K | 53.7 | Low | 51 | Low | 209 Ų | 209 | 151.4 Ų | 151.4 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | | | | -174.4 | 131.1 | 125 | -102.5 | -180 | -173.2 | -173.7 | 0 | 113.3 | | |
| 108 | A | 42.2 | Very low | 51.1 | Low | 99 Ų | 99 | 148 Ų | 148 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -67.3 | 151 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 109 | S | 50.6 | Low | 50.4 | Low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -155.1 | 108.7 | 142.6 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 110 | T | 44.7 | Very low | 50 | Low | 117 Ų | 117 | 152 Ų | 152 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | | | trans | -56.9 | 139.2 | 169.8 | -43 | 0 | 0 | 0 | 0 | 112.9 | | |
| 111 | L | 49.7 | Very low | 49.9 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | | -165 | 121.4 | 122.7 | -133.1 | 96.4 | 0 | 0 | 0 | 111.4 | | |
| 112 | E | 41.3 | Very low | 48.9 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | trans | -53.4 | 156.2 | 162.2 | -71.8 | -174.4 | 122 | 0 | 0 | 111.9 | | |
| 113 | T | 47.2 | Very low | 48.8 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | | | | 177.7 | 129.1 | 104.6 | -49.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 114 | G | 44.6 | Very low | 47.6 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | 133.4 | 82 | 142.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 115 | D | 43.2 | Very low | 47.4 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -48.4 | 144.5 | 159.5 | -81 | -51.8 | 0 | 0 | 0 | 114.2 | | |
| 116 | K | 57.1 | Low | 46.2 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | | | | -178.4 | 96.4 | 129.4 | -93.5 | 155.4 | -164.9 | -176.7 | 0 | 111.1 | | |
| 117 | N | 50.3 | Low | 46 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | | 30.4 | 129.4 | 121.9 | -161 | 13.9 | 0 | 0 | 0 | 118.1 | | |
| 118 | V | 49.7 | Very low | 45.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | | | | 167.3 | 112.9 | 116.1 | 159.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 119 | E | 44.2 | Very low | 45.4 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -53 | 146 | 159.3 | -66 | 170.6 | 128.1 | 0 | 0 | 110.9 | | |
| 120 | Q | 46.1 | Very low | 45.2 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | | 175 | 122 | 126.3 | -95.4 | 168.1 | 13.1 | 0 | 0 | 113.4 | | |
| 121 | S | 48.7 | Very low | 45.6 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 69.3 | 122.4 | 134.1 | -62.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 122 | E | 40.6 | Very low | 45.7 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -46.7 | 128.4 | 151.7 | -70.4 | 174 | 127.9 | 0 | 0 | 112.1 | | |
| 123 | I | 50.3 | Low | 46.7 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | trans | -141.8 | 114.1 | 150 | -55.8 | 179.5 | 0 | 0 | 0 | 106.9 | | |
| 124 | A | 38.5 | Very low | 47.3 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -75.6 | 129.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 125 | E | 45.4 | Very low | 48.1 | Very low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | 165.2 | 109 | 142 | -91.5 | 176.3 | 160.7 | 0 | 0 | 109.3 | | |
| 126 | N | 35.4 | Very low | 49.4 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | 41.4 | 127.7 | 133.8 | -38.2 | -11.2 | 0 | 0 | 0 | 118.9 | | |
| 127 | S | 42 | Very low | 50.3 | Low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 85.6 | 145.8 | 147.1 | 77.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 128 | S | 43.5 | Very low | 51.9 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 74.1 | 131.1 | 174.4 | -152.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 129 | S | 40.3 | Very low | 53.5 | Low | 86 Ų | 86 | 148.7 Ų | 148.7 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | | | cis | -172.6 | 167.3 | -4.3 | 36.8 | 0 | 0 | 0 | 0 | 103.4 | | |
| 130 | E | 46.3 | Very low | 55.7 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 68.1 | 81.2 | 143.2 | -160.1 | 176.9 | 165 | 0 | 0 | 115.5 | | |
| 131 | K | 54.4 | Low | 57.8 | Low | 168 Ų | 168 | 141.7 Ų | 141.7 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | | | | -163.3 | 111.1 | 113.6 | -68.3 | -137.7 | 177.2 | -171.5 | 0 | 107 | K133 | K131-K133 PolarHBondContact O-N 3.03Š|
| 132 | D | 51.1 | Low | 59.8 | Low | 179 Ų | 179 | 141.9 Ų | 141.9 | 96% | 0.957 | 73% | 0.734 | S | S | * | * | | | trans | -65.2 | 72.6 | 164.9 | -82.5 | -45.5 | 0 | 0 | 0 | 109.2 | | |
| 133 | K | 61.4 | Low | 62.2 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | | | trans | -91 | 111.8 | 153.6 | -71.6 | -175 | 177.9 | -178.7 | 0 | 103.9 | K131 H135 | K131-K133 PolarHBondContact O-N 3.03Å; K133-H135 PolarHBondContact O-CD2 3.06Å; K133-H135 PolarHBondContact O-N 3.48Å |
| 134 | E | 60.6 | Low | 64.3 | Low | 158 Ų | 158 | 139.1 Ų | 139.1 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | trans | -51.2 | 84.5 | 176.3 | -168.3 | -178.5 | 175.8 | 0 | 0 | 110.3 | K136 | E134-K136 HydrophobicContact CG-CG 4.04Å; E134-K136 PolarHBondContact O-N 3.28Å; E134-K136 WeakPolarHBondContact OE1-CE 3.5Å; E134-K136 IonicContact OE1-NZ 2.9Å |
| 135 | H | 61.7 | Low | 66.9 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | | | trans | -78.5 | 77.9 | 174.1 | -66.6 | -59.2 | 0 | 0 | 0 | 106.2 | K133 K137 | K133-H135 PolarHBondContact O-CD2 3.06Å; K133-H135 PolarHBondContact O-N 3.48Å; H135-K137 PolarHBondContact O-N 3.11Å |
| 136 | K | 70.3 | Confident | 69.1 | Low | 130 Ų | 130 | 139 Ų | 139 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | | | trans | -59.2 | 86.5 | 164 | -68.9 | -161.1 | -179.1 | -166 | 0 | 107.3 | E40 E134 K138 | E40-K136 IonicContact OE1-NZ 3.81Å; E40-K136 PolarHBondContact OE1-NZ 3.09Å; E134-K136 HydrophobicContact CG-CG 4.04Å; E134-K136 PolarHBondContact O-N 3.28Å; E134-K136 WeakPolarHBondContact OE1-CE 3.5Å; E134-K136 IonicContact OE1-NZ 2.9Å; K136-K138 PolarHBondContact O-N 2.9Å; K136-K138 VanDerWaalsContact O-N 3.09Å |
| 137 | K | 76.9 | Confident | 71.8 | Confident | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | | | trans | -64.8 | 111.7 | 171.3 | -75.7 | -177.4 | -179.7 | 174.7 | 0 | 105.7 | H135 V139 | H135-K137 PolarHBondContact O-N 3.11Å; K137-V139 PolarHBondContact O-N 2.86Å |
| 138 | K | 81.9 | Confident | 74.1 | Confident | 214 Ų | 214 | 138.3 Ų | 138.3 | 93% | 0.93 | 67% | 0.672 | S | S | * | * | | | trans | -60.4 | 105.8 | 171.4 | -69.1 | -175.4 | 178.4 | -177.6 | 0 | 107.9 | K136 | K136-K138 PolarHBondContact O-N 2.9Å; K136-K138 VanDerWaalsContact O-N 3.09Å |
| 139 | V | 83.4 | Confident | 76.3 | Confident | 104 Ų | 104 | 136.3 Ų | 136.3 | 63% | 0.63 | 66% | 0.655 | S | S | * | * | | | trans | -82.4 | 128.7 | 171.5 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | K137 L141 W144 | K137-V139 PolarHBondContact O-N 2.86Å; V139-L141 PolarHBondContact O-N 2.86Å; V139-W144 HydrophobicContact CG1-CB 3.95Å; V139-W144 HydrophobicContact CG1-CG 4.39Å |
| 140 | N | 90.7 | Very high | 78.6 | Confident | 85 Ų | 85 | 139 Ų | 139 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | | | trans | -73.5 | 108.9 | 170.2 | -179.2 | -52.9 | 0 | 0 | 0 | 108.3 | V142 K143 W144 | N140-V142 VanDerWaalsContact C-N 3.26Å; N140-V142 PolarHBondContact O-N 3.02Å; N140-V142 WeakPolarHBondContact OD1-CB 3.37Å; N140-V142 PolarHBondContact OD1-N 3.46Å; N140-V142 VanDerWaalsContact OD1-N 3.09Å; N140-K143 HydrophobicContact CB-CB 4.18Å; N140-K143 HydrophobicContact CB-CD 4.2Å; N140-K143 HydrophobicContact CB-CG 4.16Å; N140-K143 PolarHBondContact O-N 3.47Å; N140-K143 VanDerWaalsContact O-N 3.11Å; N140-K143 PolarHBondContact OD1-N 3.1Å; N140-W144 PolarHBondContact O-N 2.82Å |
| 141 | L | 91.4 | Very high | 80.4 | Confident | 118 Ų | 118 | 137.5 Ų | 137.5 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -55.1 | -40.7 | -176.6 | -177.8 | 62.4 | 0 | 0 | 0 | 112.4 | V139 K143 W144 L145 | V139-L141 PolarHBondContact O-N 2.86Å; L141-K143 PolarHBondContact O-N 3.28Å; L141-W144 PolarHBondContact O-N 2.99Å; L141-L145 HydrophobicContact CD1-CD1 4.21Å; L141-L145 HydrophobicContact CD1-CG 4.2Å; L141-L145 HydrophobicContact CG-CD1 3.94Å; L141-L145 HydrophobicContact CG-CG 4.36Å; L141-L145 WeakPolarHBondContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CG 3.48Å; L141-L145 PolarHBondContact O-N 3.38Å |
| 142 | V | 90.4 | Very high | 81.8 | Confident | 109 Ų | 109 | 137.8 Ų | 137.8 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.5 | -44.1 | 179 | -178.3 | 0 | 0 | 0 | 0 | 111 | N140 W144 K146 | N140-V142 VanDerWaalsContact C-N 3.26Å; N140-V142 PolarHBondContact O-N 3.02Å; N140-V142 WeakPolarHBondContact OD1-CB 3.37Å; N140-V142 PolarHBondContact OD1-N 3.46Å; N140-V142 VanDerWaalsContact OD1-N 3.09Å; V142-W144 VanDerWaalsContact C-N 3.32Å; V142-W144 PolarHBondContact O-N 3.14Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 3.3Å |
| 143 | K | 91.5 | Very high | 83.2 | Confident | 157 Ų | 157 | 136.5 Ų | 136.5 | 68% | 0.683 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.2 | -39 | 176 | -72 | -173.1 | 179.1 | 179.2 | 0 | 111.6 | N140 L141 K147 | N140-K143 HydrophobicContact CB-CB 4.18Å; N140-K143 HydrophobicContact CB-CD 4.2Å; N140-K143 HydrophobicContact CB-CG 4.16Å; N140-K143 PolarHBondContact O-N 3.47Å; N140-K143 VanDerWaalsContact O-N 3.11Å; N140-K143 PolarHBondContact OD1-N 3.1Å; L141-K143 PolarHBondContact O-N 3.28Å; K143-K147 WeakPolarHBondContact O-CB 3.2Å; K143-K147 PolarHBondContact O-N 3.07Å; K143-K147 VanDerWaalsContact O-N 3.14Å |
| 144 | W | 94.2 | Very high | 84.1 | Confident | 135 Ų | 135 | 135 Ų | 135 | 51% | 0.511 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.3 | -47 | 179 | -173.1 | 92.9 | 0 | 0 | 0 | 111.7 | V139 N140 L141 V142 K146 K147 N148 | V139-W144 HydrophobicContact CG1-CB 3.95Å; V139-W144 HydrophobicContact CG1-CG 4.39Å; N140-W144 PolarHBondContact O-N 2.82Å; L141-W144 PolarHBondContact O-N 2.99Å; V142-W144 VanDerWaalsContact C-N 3.32Å; V142-W144 PolarHBondContact O-N 3.14Å; W144-K146 PolarHBondContact O-N 3.23Å; W144-K147 PolarHBondContact O-N 2.92Å; W144-N148 HydrophobicContact CH2-CB 4.48Å; W144-N148 HydrophobicContact CZ2-CB 4.33Å; W144-N148 PolarHBondContact NE1-ND2 2.98Å; W144-N148 WeakPolarHBondContact O-CB 3.19Å; W144-N148 PolarHBondContact O-N 3.49Å; W144-N148 PolarHBondContact O-ND2 3.33Å |
| 145 | L | 93.2 | Very high | 85 | Confident | 75 Ų | 75 | 136.9 Ų | 136.9 | 39% | 0.393 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -61.2 | -46.6 | 177.3 | -71.7 | 170.5 | 0 | 0 | 0 | 111.1 | L141 K147 N148 V149 | L141-L145 HydrophobicContact CD1-CD1 4.21Å; L141-L145 HydrophobicContact CD1-CG 4.2Å; L141-L145 HydrophobicContact CG-CD1 3.94Å; L141-L145 HydrophobicContact CG-CG 4.36Å; L141-L145 WeakPolarHBondContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CG 3.48Å; L141-L145 PolarHBondContact O-N 3.38Å; L145-K147 PolarHBondContact O-N 2.96Å; L145-N148 PolarHBondContact O-N 3.18Å; L145-V149 HydrophobicContact CD2-CG2 3.75Å; L145-V149 WeakPolarHBondContact O-CA 3.41Å; L145-V149 VanDerWaalsContact O-CB 3.29Å; L145-V149 WeakPolarHBondContact O-CB 3.39Å; L145-V149 PolarHBondContact O-N 3.06Å |
| 146 | K | 89.9 | Confident | 85.2 | Confident | 179 Ų | 179 | 138.4 Ų | 138.4 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.7 | -31.4 | 177.9 | -173.9 | 174.2 | -179.7 | 176.8 | 0 | 113.3 | V142 W144 | V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 3.3Å; W144-K146 PolarHBondContact O-N 3.23Å |
| 147 | K | 92.2 | Very high | 84.6 | Confident | 161 Ų | 161 | 140.2 Ų | 140.2 | 70% | 0.7 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.2 | -37.4 | 179.9 | -177.2 | 175.5 | 177.3 | 179.6 | 0 | 112.5 | K143 W144 L145 H150 | K143-K147 WeakPolarHBondContact O-CB 3.2Å; K143-K147 PolarHBondContact O-N 3.07Å; K143-K147 VanDerWaalsContact O-N 3.14Å; W144-K147 PolarHBondContact O-N 2.92Å; L145-K147 PolarHBondContact O-N 2.96Å; K147-H150 PolarHBondContact O-CE1 2.96Å |
| 148 | N | 90.8 | Very high | 83.9 | Confident | 82 Ų | 82 | 136.7 Ų | 136.7 | 44% | 0.439 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -106.9 | -23.3 | -167.7 | -61.5 | -75.1 | 0 | 0 | 0 | 113.6 | W144 L145 | W144-N148 HydrophobicContact CH2-CB 4.48Å; W144-N148 HydrophobicContact CZ2-CB 4.33Å; W144-N148 PolarHBondContact NE1-ND2 2.98Å; W144-N148 WeakPolarHBondContact O-CB 3.19Å; W144-N148 PolarHBondContact O-N 3.49Å; W144-N148 PolarHBondContact O-ND2 3.33Å; L145-N148 PolarHBondContact O-N 3.18Å |
| 149 | V | 90.3 | Very high | 82.9 | Confident | 74 Ų | 74 | 135.7 Ų | 135.7 | 45% | 0.448 | 67% | 0.672 | S | S | . | * | | | trans | -100.8 | 115.9 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | L145 I151 | L145-V149 HydrophobicContact CD2-CG2 3.75Å; L145-V149 WeakPolarHBondContact O-CA 3.41Å; L145-V149 VanDerWaalsContact O-CB 3.29Å; L145-V149 WeakPolarHBondContact O-CB 3.39Å; L145-V149 PolarHBondContact O-N 3.06Å; V149-I151 HydrophobicContact CG1-CG1 4.27Å |
| 150 | H | 87.8 | Confident | 82.2 | Confident | 141 Ų | 141 | 140.4 Ų | 140.4 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | | | trans | -114.9 | 117.5 | 173.3 | -62.9 | 84.5 | 0 | 0 | 0 | 108.8 | K147 | K147-H150 PolarHBondContact O-CE1 2.96Š|
| 151 | I | 85.1 | Confident | 80.9 | Confident | 142 Ų | 142 | 145.8 Ų | 145.8 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | | | trans | -97.1 | 113.7 | 176.7 | -57.1 | 174.1 | 0 | 0 | 0 | 107.8 | V149 L153 | V149-I151 HydrophobicContact CG1-CG1 4.27Å; I151-L153 PolarHBondContact O-N 3.18Å |
| 152 | H | 83.8 | Confident | 79.5 | Confident | 174 Ų | 174 | 148.6 Ų | 148.6 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | | | trans | -84 | 111.5 | 170.7 | -69 | -65.4 | 0 | 0 | 0 | 109.4 | | |
| 153 | L | 79.1 | Confident | 78.4 | Confident | 151 Ų | 151 | 152.1 Ų | 152.1 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 135 | 168.9 | -69.4 | 170.5 | 0 | 0 | 0 | 109.1 | I151 K155 | I151-L153 PolarHBondContact O-N 3.18Å; L153-K155 PolarHBondContact O-N 3.35Å |
| 154 | P | 81.3 | Confident | 77 | Confident | 113 Ų | 113 | 150.6 Ų | 150.6 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 129.6 | 171 | -23.2 | 32.2 | 0 | 0 | 0 | 109.2 | H156 | P154-H156 PolarHBondContact O-N 3.31Å; P154-H156 VanDerWaalsContact O-N 3.14Å |
| 155 | K | 78.6 | Confident | 75.4 | Confident | 197 Ų | 197 | 150.2 Ų | 150.2 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 125 | 168 | -68.1 | 177.9 | -179.8 | 172.9 | 0 | 106.2 | L153 H157 | L153-K155 PolarHBondContact O-N 3.35Å; K155-H157 PolarHBondContact O-N 3.24Å |
| 156 | H | 67.2 | Low | 74.1 | Confident | 183 Ų | 183 | 154.8 Ų | 154.8 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | | | trans | -47 | 101.4 | 176.1 | -77.8 | -90.3 | 0 | 0 | 0 | 109.1 | P154 S158 | P154-H156 PolarHBondContact O-N 3.31Å; P154-H156 VanDerWaalsContact O-N 3.14Å; H156-S158 PolarHBondContact O-N 3.19Å; H156-S158 VanDerWaalsContact O-N 3.12Å |
| 157 | H | 58 | Low | 72.8 | Confident | 168 Ų | 168 | 154.9 Ų | 154.9 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | | | trans | -62.3 | 118.3 | 154.5 | -84.1 | -30.1 | 0 | 0 | 0 | 104.2 | K155 F159 | K155-H157 PolarHBondContact O-N 3.24Å; H157-F159 PolarHBondContact O-N 3.14Å |
| 158 | S | 60.4 | Low | 70.8 | Confident | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -52.6 | 96.5 | 168.7 | 26 | 0 | 0 | 0 | 0 | 106.5 | H156 K160 | H156-S158 PolarHBondContact O-N 3.19Å; H156-S158 VanDerWaalsContact O-N 3.12Å; S158-K160 PolarHBondContact O-N 3.17Å |
| 159 | F | 62.1 | Low | 69.4 | Low | 193 Ų | 193 | 158.8 Ų | 158.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -50.8 | 110 | 164.9 | -78.4 | -88.2 | 0 | 0 | 0 | 104.8 | H157 K161 | H157-F159 PolarHBondContact O-N 3.14Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 3.25Å |
| 160 | K | 67.9 | Low | 68 | Low | 202 Ų | 202 | 161.5 Ų | 161.5 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | -56.4 | 109.4 | 170.1 | -71.3 | -179 | -179.8 | 175.9 | 0 | 103.7 | S158 E162 | S158-K160 PolarHBondContact O-N 3.17Å; K160-E162 VanDerWaalsContact C-N 3.27Å; K160-E162 PolarHBondContact O-N 3.43Å |
| 161 | K | 63.4 | Low | 66.4 | Low | 199 Ų | 199 | 163.2 Ų | 163.2 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -56.7 | 100 | 174.3 | -73 | -178.6 | 176.6 | -179.8 | 0 | 106.2 | F159 K163 | F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 3.25Å; K161-K163 PolarHBondContact O-N 3.13Å |
| 162 | E | 62.9 | Low | 64.8 | Low | 177 Ų | 177 | 161.9 Ų | 161.9 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 123.2 | 166.9 | -167.4 | 170.6 | -172.4 | 0 | 0 | 106 | K160 | K160-E162 VanDerWaalsContact C-N 3.27Å; K160-E162 PolarHBondContact O-N 3.43Å |
| 163 | K | 66.3 | Low | 63.6 | Low | 182 Ų | 182 | 160.8 Ų | 160.8 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 137 | 179.8 | -70.8 | 179.7 | 178.9 | 177.4 | 0 | 107.1 | K161 V165 | K161-K163 PolarHBondContact O-N 3.13Å; K163-V165 PolarHBondContact O-N 2.75Å |
| 164 | P | 62.8 | Low | 62.2 | Low | 126 Ų | 126 | 160.8 Ų | 160.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 120.1 | 173.8 | 23.8 | -31.4 | 0 | 0 | 0 | 108.6 | M166 | P164-M166 PolarHBondContact O-N 3.12Å; P164-M166 VanDerWaalsContact O-N 3.17Å |
| 165 | V | 59.8 | Low | 60.8 | Low | 127 Ų | 127 | 160.5 Ų | 160.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -66.4 | 111.7 | 169.2 | 176.7 | 0 | 0 | 0 | 0 | 106.1 | K163 E167 | K163-V165 PolarHBondContact O-N 2.75Å; V165-E167 PolarHBondContact O-N 2.75Å |
| 166 | M | 66.9 | Low | 59.5 | Low | 171 Ų | 171 | 157.7 Ų | 157.7 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | trans | -74.4 | 107.2 | 174.8 | -136.5 | -170.2 | -53.9 | 0 | 0 | 107.1 | P164 C168 | P164-M166 PolarHBondContact O-N 3.12Å; P164-M166 VanDerWaalsContact O-N 3.17Å; M166-C168 PolarHBondContact O-N 3.26Å; M166-C168 VanDerWaalsContact O-N 3.08Å |
| 167 | E | 61.3 | Low | 58.8 | Low | 180 Ų | 180 | 157.9 Ų | 157.9 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -63.7 | 108.4 | 169.9 | -71.9 | 178.8 | 168.4 | 0 | 0 | 108.8 | V165 K169 | V165-E167 PolarHBondContact O-N 2.75Å; E167-K169 PolarHBondContact O-N 3Å; E167-K169 VanDerWaalsContact O-N 3.09Å |
| 168 | C | 50.3 | Low | 58.3 | Low | 122 Ų | 122 | 158 Ų | 158 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | | | trans | -65.3 | 108.3 | 170.9 | -75 | 0 | 0 | 0 | 0 | 108.8 | M166 T170 | M166-C168 PolarHBondContact O-N 3.26Å; M166-C168 VanDerWaalsContact O-N 3.08Å; C168-T170 PolarHBondContact O-N 3.02Å |
| 169 | K | 62.6 | Low | 57.9 | Low | 203 Ų | 203 | 157.8 Ų | 157.8 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.8 | 168.3 | -72 | 177.8 | 175.5 | 179.9 | 0 | 109.3 | E167 E171 | E167-K169 PolarHBondContact O-N 3Å; E167-K169 VanDerWaalsContact O-N 3.09Å; K169-E171 PolarHBondContact O-N 2.86Å |
| 170 | T | 60.7 | Low | 57.1 | Low | 131 Ų | 131 | 154.7 Ų | 154.7 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.5 | 171.8 | -35.7 | 0 | 0 | 0 | 0 | 109.1 | C168 C172 | C168-T170 PolarHBondContact O-N 3.02Å; T170-C172 PolarHBondContact O-N 3.24Å |
| 171 | E | 54.2 | Low | 56.2 | Low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 119.2 | 170.2 | -77.7 | 179.5 | 162.8 | 0 | 0 | 109.1 | K169 I173 | K169-E171 PolarHBondContact O-N 2.86Å; E171-I173 PolarHBondContact O-N 3.41Å; E171-I173 VanDerWaalsContact O-N 3.13Å |
| 172 | C | 51.6 | Low | 55.5 | Low | 115 Ų | 115 | 148.6 Ų | 148.6 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | -66.5 | 107.3 | 171.4 | -64.8 | 0 | 0 | 0 | 0 | 109.4 | T170 N174 | T170-C172 PolarHBondContact O-N 3.24Å; C172-N174 PolarHBondContact O-N 2.87Å; C172-N174 VanDerWaalsContact O-N 3.16Å |
| 173 | I | 57.9 | Low | 55.2 | Low | 151 Ų | 151 | 149.7 Ų | 149.7 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | | | trans | -77.5 | 99 | 168.6 | -45 | 173.4 | 0 | 0 | 0 | 106.9 | E171 S175 | E171-I173 PolarHBondContact O-N 3.41Å; E171-I173 VanDerWaalsContact O-N 3.13Å; I173-S175 PolarHBondContact O-N 2.78Å |
| 174 | N | 50.9 | Low | 54.4 | Low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | | | trans | -74.1 | 92 | 170.1 | -72.6 | -20.6 | 0 | 0 | 0 | 109 | C172 N176 | C172-N174 PolarHBondContact O-N 2.87Å; C172-N174 VanDerWaalsContact O-N 3.16Å; N174-N176 PolarHBondContact O-N 2.87Å |
| 175 | S | 50.6 | Low | 54.1 | Low | 106 Ų | 106 | 151.5 Ų | 151.5 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -78.6 | 95.4 | 168.4 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | I173 | I173-S175 PolarHBondContact O-N 2.78Š|
| 176 | N | 52.6 | Low | 53.6 | Low | 138 Ų | 138 | 152.8 Ų | 152.8 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | trans | -82.5 | 113.6 | 160.8 | 169.7 | 12.8 | 0 | 0 | 0 | 108.2 | N174 E178 | N174-N176 PolarHBondContact O-N 2.87Å; N176-E178 PolarHBondContact O-N 3.24Å |
| 177 | E | 50.8 | Low | 52.5 | Low | 187 Ų | 187 | 153.4 Ų | 153.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -68.6 | 107.1 | 167.8 | -71.4 | 176.9 | 136.5 | 0 | 0 | 110.7 | | |
| 178 | E | 49.3 | Very low | 52 | Low | 170 Ų | 170 | 152.7 Ų | 152.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | -148.8 | 92.5 | 151.2 | -143.2 | 173.4 | 151.9 | 0 | 0 | 112 | N176 | N176-E178 PolarHBondContact O-N 3.24Š|
| 179 | S | 52 | Low | 51.6 | Low | 105 Ų | 105 | 152.1 Ų | 152.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | trans | 39.2 | 127 | 133.4 | -85.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 180 | T | 44.2 | Very low | 50.9 | Low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 86.1 | 92.2 | 142.1 | 69.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 181 | S | 49 | Very low | 50.2 | Low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | | -174.7 | 130.8 | 115.3 | -91 | 0 | 0 | 0 | 0 | 113.4 | | |
| 182 | D | 49 | Very low | 49.8 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -28 | 127.5 | 164.3 | -75.1 | -52.2 | 0 | 0 | 0 | 116.1 | | |
| 183 | K | 55.4 | Low | 49.3 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | | | | -169.1 | 121.3 | 114.7 | -104.9 | 164.9 | -178.5 | -178.5 | 0 | 111.9 | | |
| 184 | Q | 51 | Low | 49 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -43.5 | 125.4 | 173.5 | -61.1 | 168.6 | -3.1 | 0 | 0 | 113.5 | | |
| 185 | I | 55.5 | Low | 48.7 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -138.5 | 124.6 | 150.5 | -59.3 | -178.5 | 0 | 0 | 0 | 107.9 | | |
| 186 | N | 50.9 | Low | 48.9 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | -52.7 | 131.7 | -167.1 | -68.7 | -40.9 | 0 | 0 | 0 | 115.5 | | |
| 187 | H | 42.4 | Very low | 48.9 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | -79.8 | 131.3 | 158.4 | -71.1 | -80.7 | 0 | 0 | 0 | 110.1 | | |
| 188 | N | 50.2 | Low | 48.5 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | | | trans | -154 | 140.9 | 153.8 | -95.7 | -16.4 | 0 | 0 | 0 | 108.7 | | |
| 189 | S | 42 | Very low | 48.5 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | 97.8 | 80.7 | 172.1 | -144.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 190 | T | 48.7 | Very low | 48.5 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | | 71.5 | 125 | 76.9 | -26.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 191 | E | 46.2 | Very low | 48.5 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | 68.1 | 131 | 156.9 | -85 | 163.1 | 166.7 | 0 | 0 | 116.9 | | |
| 192 | E | 45.4 | Very low | 48.7 | Very low | 162 Ų | 162 | 155.7 Ų | 155.7 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | cis | -148.6 | 135.7 | 25.9 | -64 | 179.6 | 128 | 0 | 0 | 110.4 | K194 | E192-K194 PolarHBondContact O-N 3.21Š|
| 193 | V | 41.5 | Very low | 48.7 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -76.3 | 107 | 160.3 | 173.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 194 | K | 51.1 | Low | 48.4 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 74% | 0.735 | 79% | 0.787 | S | S | * | * | | | trans | -117.1 | 99.6 | 168.8 | -145.3 | 171.8 | -171.8 | 174.3 | 0 | 109.3 | E192 I196 | E192-K194 PolarHBondContact O-N 3.21Å; K194-I196 PolarHBondContact O-N 3.06Å |
| 195 | T | 44.2 | Very low | 48.3 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | -49.6 | 113.5 | 161.3 | -36.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 196 | I | 56.3 | Low | 47.9 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -103.3 | 110.4 | 172.3 | -64.9 | 173.8 | 0 | 0 | 0 | 106.7 | K194 | K194-I196 PolarHBondContact O-N 3.06Š|
| 197 | E | 51.1 | Low | 48 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | | | trans | -53.5 | 146.7 | 173.3 | -75 | 173.4 | 125.3 | 0 | 0 | 112.2 | T199 | E197-T199 PolarHBondContact O-N 2.94Å; E197-T199 PolarHBondContact O-OG1 3.23Å |
| 198 | H | 43.3 | Very low | 48.3 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | | | trans | -51.3 | 108 | 164.3 | -71.6 | -92.2 | 0 | 0 | 0 | 109.8 | | |
| 199 | T | 48.8 | Very low | 48.2 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | | | trans | -101.5 | 103.2 | 168.2 | -42.2 | 0 | 0 | 0 | 0 | 107.6 | E197 N201 | E197-T199 PolarHBondContact O-N 2.94Å; E197-T199 PolarHBondContact O-OG1 3.23Å; T199-N201 PolarHBondContact O-N 3.01Å |
| 200 | E | 52.6 | Low | 48.4 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | trans | -58.6 | 114 | 164.7 | -169.9 | 171.6 | -164.4 | 0 | 0 | 107.9 | E202 | E200-E202 HydrophobicContact CG-CG 4.31Å; E200-E202 PolarHBondContact O-N 3.35Å |
| 201 | N | 44.6 | Very low | 48.6 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | trans | -82.5 | 72.6 | -179.1 | -171 | 42.4 | 0 | 0 | 0 | 109.3 | T199 Q203 | T199-N201 PolarHBondContact O-N 3.01Å; N201-Q203 VanDerWaalsContact C-N 3.27Å; N201-Q203 PolarHBondContact O-N 3.17Å; N201-Q203 VanDerWaalsContact O-N 3.13Å; N201-Q203 WeakPolarHBondContact OD1-CG 3.37Å; N201-Q203 PolarHBondContact OD1-NE2 3.2Å |
| 202 | E | 52.9 | Low | 48.7 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | | | trans | -76.2 | 79.2 | 161.2 | -72.9 | -167.1 | 147.7 | 0 | 0 | 109.2 | E200 N204 | E200-E202 HydrophobicContact CG-CG 4.31Å; E200-E202 PolarHBondContact O-N 3.35Å; E202-N204 PolarHBondContact O-N 3.08Å |
| 203 | Q | 48.5 | Very low | 48.7 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | | | trans | -82.2 | 86.3 | 163.6 | -83 | -178.2 | 25.6 | 0 | 0 | 109.5 | N201 | N201-Q203 VanDerWaalsContact C-N 3.27Å; N201-Q203 PolarHBondContact O-N 3.17Å; N201-Q203 VanDerWaalsContact O-N 3.13Å; N201-Q203 WeakPolarHBondContact OD1-CG 3.37Å; N201-Q203 PolarHBondContact OD1-NE2 3.2Å |
| 204 | N | 48.9 | Very low | 48.9 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | | | trans | -175.3 | 62.6 | 140.3 | -95 | -13.1 | 0 | 0 | 0 | 110.4 | E202 T206 | E202-N204 PolarHBondContact O-N 3.08Å; N204-T206 PolarHBondContact O-N 3.09Å |
| 205 | V | 49.5 | Very low | 48.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | | | trans | -86.7 | 91.8 | 161.8 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 206 | T | 47.7 | Very low | 48.3 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -96.2 | 98.8 | 158.8 | -32.8 | 0 | 0 | 0 | 0 | 106.6 | N204 E208 | N204-T206 PolarHBondContact O-N 3.09Å; T206-E208 PolarHBondContact O-N 3.11Å |
| 207 | T | 51.6 | Low | 47.7 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | | | trans | -66.1 | 91.6 | 174.7 | -31.2 | 0 | 0 | 0 | 0 | 108.7 | K209 | T207-K209 VanDerWaalsContact C-N 3.33Å; T207-K209 PolarHBondContact O-N 2.77Å |
| 208 | E | 49.1 | Very low | 47.1 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | | | trans | -76.3 | 94.5 | 164.5 | -157.7 | -178.7 | 157.7 | 0 | 0 | 107.5 | T206 T210 | T206-E208 PolarHBondContact O-N 3.11Å; E208-T210 PolarHBondContact O-N 3.13Å |
| 209 | K | 47.3 | Very low | 47.1 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | | | trans | -69.8 | 97.7 | 174.7 | -159.4 | 174 | 177.4 | -159.9 | 0 | 107.1 | T207 H211 | T207-K209 VanDerWaalsContact C-N 3.33Å; T207-K209 PolarHBondContact O-N 2.77Å; K209-H211 VanDerWaalsContact C-N 3.3Å; K209-H211 WeakPolarHBondContact CD-NE2 3.39Å; K209-H211 WeakPolarHBondContact CE-NE2 3.3Å; K209-H211 PolarHBondContact NZ-NE2 3.34Å; K209-H211 PolarHBondContact O-N 3.39Å |
| 210 | T | 48.1 | Very low | 46.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | | | trans | -59.6 | 94.5 | 168.3 | -45.6 | 0 | 0 | 0 | 0 | 108.2 | E208 | E208-T210 PolarHBondContact O-N 3.13Š|
| 211 | H | 51.4 | Low | 46.2 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 57% | 0.574 | 74% | 0.737 | S | S | * | * | | | trans | -87.5 | 105.3 | 165.1 | -82.3 | -72.4 | 0 | 0 | 0 | 107 | K209 T213 | K209-H211 VanDerWaalsContact C-N 3.3Å; K209-H211 WeakPolarHBondContact CD-NE2 3.39Å; K209-H211 WeakPolarHBondContact CE-NE2 3.3Å; K209-H211 PolarHBondContact NZ-NE2 3.34Å; K209-H211 PolarHBondContact O-N 3.39Å; H211-T213 VanDerWaalsContact C-N 3.33Å; H211-T213 PolarHBondContact O-N 3.16Å |
| 212 | E | 49.7 | Very low | 46.5 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | | | trans | -57.5 | 99.1 | 157.8 | -77.8 | -179.9 | 140.3 | 0 | 0 | 107.9 | T214 | E212-T214 PolarHBondContact O-N 3.07Š|
| 213 | T | 43.6 | Very low | 46.1 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | | | trans | -84.1 | 89.6 | 168.3 | -53.3 | 0 | 0 | 0 | 0 | 107.8 | H211 E215 | H211-T213 VanDerWaalsContact C-N 3.33Å; H211-T213 PolarHBondContact O-N 3.16Å; T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 HydrophobicContact CG2-CB 4.36Å; T213-E215 HydrophobicContact CG2-CG 3.86Å; T213-E215 PolarHBondContact O-N 3.03Å; T213-E215 VanDerWaalsContact O-N 3.16Å |
| 214 | T | 46.8 | Very low | 46.2 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -76.9 | 81.9 | 162.9 | -31.5 | 0 | 0 | 0 | 0 | 108.2 | E212 S216 | E212-T214 PolarHBondContact O-N 3.07Å; T214-S216 PolarHBondContact O-N 2.9Å |
| 215 | E | 44.8 | Very low | 46 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | -87.4 | 88.2 | 165.5 | -89.3 | -173.5 | 168.6 | 0 | 0 | 109.4 | T213 L217 | T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 HydrophobicContact CG2-CB 4.36Å; T213-E215 HydrophobicContact CG2-CG 3.86Å; T213-E215 PolarHBondContact O-N 3.03Å; T213-E215 VanDerWaalsContact O-N 3.16Å; E215-L217 PolarHBondContact O-N 3.36Å |
| 216 | S | 37.1 | Very low | 45.8 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | -69.2 | 98.8 | 157.1 | -172 | 0 | 0 | 0 | 0 | 107.9 | T214 | T214-S216 PolarHBondContact O-N 2.9Š|
| 217 | L | 43.8 | Very low | 45.7 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | -104 | 92.7 | 162.4 | -72.1 | 175.1 | 0 | 0 | 0 | 108.3 | E215 S219 | E215-L217 PolarHBondContact O-N 3.36Å; L217-S219 PolarHBondContact O-N 3.24Å |
| 218 | Q | 38.4 | Very low | 45.5 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -64.3 | 118.5 | 154.9 | -67.5 | 177.8 | -39.2 | 0 | 0 | 107.9 | | |
| 219 | S | 44.5 | Very low | 45.4 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | -160.1 | 116.4 | 152.1 | -156 | 0 | 0 | 0 | 0 | 111.5 | L217 | L217-S219 PolarHBondContact O-N 3.24Š|
| 220 | T | 38.8 | Very low | 45.2 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | | | trans | 64.3 | 97.2 | 148.8 | 21.3 | 0 | 0 | 0 | 0 | 118.8 | E222 | T220-E222 PolarHBondContact O-N 2.97Š|
| 221 | T | 43.2 | Very low | 45.3 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -52.5 | 118.8 | 138.3 | 40.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 222 | E | 51.9 | Low | 45.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -114.7 | 109 | 157.4 | -79.9 | -175.1 | 159.3 | 0 | 0 | 108 | T220 T224 | T220-E222 PolarHBondContact O-N 2.97Å; E222-T224 PolarHBondContact O-N 3.24Å |
| 223 | D | 43.2 | Very low | 44.8 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | | | trans | -62.8 | 110.7 | 162.6 | -78 | -45.2 | 0 | 0 | 0 | 108.7 | | |
| 224 | T | 51.2 | Low | 44.8 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -134.6 | 95.2 | 159.8 | 33.5 | 0 | 0 | 0 | 0 | 110.5 | E222 T226 | E222-T224 PolarHBondContact O-N 3.24Å; T224-T226 PolarHBondContact O-N 3.28Å |
| 225 | T | 44.4 | Very low | 44.7 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -55.8 | 111.3 | 160.9 | -42.7 | 0 | 0 | 0 | 0 | 110 | | |
| 226 | T | 46.2 | Very low | 45 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -156.6 | 96.5 | 151.2 | -49.5 | 0 | 0 | 0 | 0 | 110 | T224 | T224-T226 PolarHBondContact O-N 3.28Š|
| 227 | D | 44.4 | Very low | 45.3 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 22.1 | 110.1 | 131.9 | -140.1 | -9.8 | 0 | 0 | 0 | 117.8 | | |
| 228 | N | 47.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -151.7 | 73.4 | 146.9 | -91.1 | -27.4 | 0 | 0 | 0 | 109.1 | | |
| 229 | S | 46.8 | Very low | 45.6 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | | | trans | 21.4 | 115.9 | 133.1 | 174.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 230 | L | 44.3 | Very low | 45.5 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | 54.1 | 107.2 | 139.9 | -81.4 | 80.2 | 0 | 0 | 0 | 119.1 | | |
| 231 | I | 50.6 | Low | 45.9 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -122 | 100.5 | 137.3 | -47.6 | 175.5 | 0 | 0 | 0 | 106.5 | | |
| 232 | T | 46.6 | Very low | 46.1 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | | | trans | -78.2 | 129.9 | -169.4 | -31.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 233 | S | 42.4 | Very low | 45.8 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -57.6 | 137.9 | 165.9 | -46.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 234 | T | 44.2 | Very low | 45.9 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | trans | -116.7 | 104.3 | 166.1 | -61.4 | 0 | 0 | 0 | 0 | 109 | | |
| 235 | T | 45.3 | Very low | 45.6 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | -158.7 | 99 | 158.5 | -64 | 0 | 0 | 0 | 0 | 106.6 | | |
| 236 | I | 50.1 | Low | 45.7 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -139.8 | 121 | 161.9 | -60.9 | -176.3 | 0 | 0 | 0 | 108.8 | | |
| 237 | I | 44 | Very low | 45.7 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 73% | 0.728 | 82% | 0.818 | S | S | * | * | | | trans | -88.2 | 157.1 | 169.4 | -63.5 | 161.3 | 0 | 0 | 0 | 107.7 | | |
| 238 | S | 45.7 | Very low | 45.7 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | 105 | 139.5 | 166.6 | -45.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 239 | A | 42.9 | Very low | 45.6 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | | | cis | -168.8 | 158.1 | -8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 240 | R | 41.6 | Very low | 45.5 | Very low | 246 Ų | 246 | 150.8 Ų | 150.8 | 93% | 0.928 | 84% | 0.84 | S | S | * | * | | | trans | -1.7 | 126.5 | 162.5 | -69.8 | 174.6 | 173.1 | 150.5 | -1.8 | 119.4 | | |
| 241 | L | 48.7 | Very low | 45.6 | Very low | 248 Ų | 248 | 152.1 Ų | 152.1 | 100% | 1.298 | 85% | 0.851 | S | S | * | * | | | | -139.5 | 0 | 121.2 | -105 | 161.1 | 0 | 0 | 0 | 108.2 | | |