| 1 | M | 43 | Very low | 54.6 | Low | 216 Ų | 216 | 153.5 Ų | 153.5 | 100% | 1.064 | 83% | 0.826 | S | S | * | * | | | | 0 | 61.2 | 0 | -54.5 | -63.8 | 174.2 | 0 | 0 | 107.5 | | |
| 2 | D | 50 | Low | 55 | Low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | | 40.7 | 131.7 | 58.6 | -28.7 | -51.9 | 0 | 0 | 0 | 112.6 | | |
| 3 | A | 48.7 | Very low | 55 | Low | 90 Ų | 90 | 147.8 Ų | 147.8 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | | | cis | -161.6 | 149.7 | -23.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 4 | D | 51.5 | Low | 54.9 | Low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -90.9 | 110.9 | 174.9 | -172.3 | 23.7 | 0 | 0 | 0 | 109.2 | | |
| 5 | E | 58.8 | Low | 54.8 | Low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -143.7 | 132.4 | 175.6 | -77.9 | -164.4 | 159.6 | 0 | 0 | 112.4 | | |
| 6 | G | 57.9 | Low | 55.1 | Low | 71 Ų | 71 | 145.3 Ų | 145.3 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 111.4 | 83 | 144 | 0 | 0 | 0 | 0 | 0 | 116.7 | K8 | G6-K8 PolarHBondContact O-N 3.22Š|
| 7 | E | 59.5 | Low | 55.2 | Low | 184 Ų | 184 | 149.2 Ų | 149.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -55.7 | 136.4 | 158 | -71.9 | -172.4 | 118.1 | 0 | 0 | 111.2 | V9 | E7-V9 PolarHBondContact O-N 3.27Š|
| 8 | K | 57 | Low | 55.1 | Low | 198 Ų | 198 | 144.4 Ų | 144.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -76.8 | 85.8 | 177.3 | -70.4 | 173.3 | 179 | 169.2 | 0 | 111.3 | G6 N10 | G6-K8 PolarHBondContact O-N 3.22Å; K8-N10 PolarHBondContact O-N 3.17Å |
| 9 | V | 61.2 | Low | 55 | Low | 123 Ų | 123 | 147.5 Ų | 147.5 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | trans | -85.1 | 100.3 | 164.3 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | E7 E11 | E7-V9 PolarHBondContact O-N 3.27Å; V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 2.91Å |
| 10 | N | 57.8 | Low | 54.9 | Low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -72.4 | 80 | 177.9 | -85.1 | -18.7 | 0 | 0 | 0 | 111.6 | K8 S12 | K8-N10 PolarHBondContact O-N 3.17Å; N10-S12 PolarHBondContact O-N 2.91Å |
| 11 | E | 55.3 | Low | 55.1 | Low | 153 Ų | 153 | 146.5 Ų | 146.5 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | -73 | 92 | 170.8 | -165.1 | -177.1 | 173.4 | 0 | 0 | 110.7 | V9 N13 | V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 2.91Å; E11-N13 VanDerWaalsContact C-N 3.27Å; E11-N13 VanDerWaalsContact CD-ND2 3.33Å; E11-N13 PolarHBondContact O-N 3.49Å; E11-N13 PolarHBondContact OE1-ND2 2.91Å |
| 12 | S | 58.7 | Low | 55.6 | Low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -78.4 | 73 | 179.6 | -64.6 | 0 | 0 | 0 | 0 | 112 | N10 S14 | N10-S12 PolarHBondContact O-N 2.91Å; S12-S14 VanDerWaalsContact C-N 3.33Å; S12-S14 PolarHBondContact O-N 2.91Å |
| 13 | N | 55.2 | Low | 56 | Low | 123 Ų | 123 | 140.6 Ų | 140.6 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | | | trans | -65.5 | 88.9 | 167.8 | -89.7 | -58.4 | 0 | 0 | 0 | 110.5 | E11 D15 | E11-N13 VanDerWaalsContact C-N 3.27Å; E11-N13 VanDerWaalsContact CD-ND2 3.33Å; E11-N13 PolarHBondContact O-N 3.49Å; E11-N13 PolarHBondContact OE1-ND2 2.91Å; N13-D15 VanDerWaalsContact C-N 3.26Å; N13-D15 PolarHBondContact O-N 3.1Å |
| 14 | S | 53.5 | Low | 56.4 | Low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -76.3 | 75.5 | 173.1 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | S12 K16 | S12-S14 VanDerWaalsContact C-N 3.33Å; S12-S14 PolarHBondContact O-N 2.91Å; S14-K16 VanDerWaalsContact C-N 3.29Å; S14-K16 PolarHBondContact O-N 2.84Å |
| 15 | D | 53.9 | Low | 56.6 | Low | 109 Ų | 109 | 147.5 Ų | 147.5 | 58% | 0.583 | 77% | 0.773 | S | S | * | * | | | trans | -65.1 | 82 | 175.4 | -167.7 | 3.9 | 0 | 0 | 0 | 110.7 | N13 R17 | N13-D15 VanDerWaalsContact C-N 3.26Å; N13-D15 PolarHBondContact O-N 3.1Å; D15-R17 PolarHBondContact O-N 3.11Å; D15-R17 VanDerWaalsContact OD1-CG 3.26Å; D15-R17 WeakPolarHBondContact OD1-CG 3.26Å; D15-R17 IonicContact OD1-NE 2.63Å; D15-R17 PolarHBondContact OD1-NE 2.9Å; D15-R17 IonicContact OD2-CZ 3.55Å; D15-R17 IonicContact OD2-NE 2.65Å; D15-R17 PolarHBondContact OD2-NE 2.99Å; D15-R17 VanDerWaalsContact OD2-NE 3.11Å; D15-R17 IonicContact OD2-NH2 3.1Å; D15-R17 PolarHBondContact OD2-NH2 3.33Å; D15-R17 VanDerWaalsContact OD2-NH2 3.1Å |
| 16 | K | 59.5 | Low | 56.6 | Low | 193 Ų | 193 | 147.2 Ų | 147.2 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -90.3 | 72.6 | 174.6 | -77.4 | -169.7 | 177.3 | 178.1 | 0 | 111.6 | S14 G18 | S14-K16 VanDerWaalsContact C-N 3.29Å; S14-K16 PolarHBondContact O-N 2.84Å; K16-G18 PolarHBondContact O-N 2.94Å |
| 17 | R | 57.4 | Low | 56.8 | Low | 212 Ų | 212 | 151.6 Ų | 151.6 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -69.8 | 117.3 | 157.2 | -49.3 | -173.7 | -164.4 | -164 | 3.9 | 108.4 | D15 | D15-R17 PolarHBondContact O-N 3.11Å; D15-R17 VanDerWaalsContact OD1-CG 3.26Å; D15-R17 WeakPolarHBondContact OD1-CG 3.26Å; D15-R17 IonicContact OD1-NE 2.63Å; D15-R17 PolarHBondContact OD1-NE 2.9Å; D15-R17 IonicContact OD2-CZ 3.55Å; D15-R17 IonicContact OD2-NE 2.65Å; D15-R17 PolarHBondContact OD2-NE 2.99Å; D15-R17 VanDerWaalsContact OD2-NE 3.11Å; D15-R17 IonicContact OD2-NH2 3.1Å; D15-R17 PolarHBondContact OD2-NH2 3.33Å; D15-R17 VanDerWaalsContact OD2-NH2 3.1Å |
| 18 | G | 53.1 | Low | 56.7 | Low | 64 Ų | 64 | 151.8 Ų | 151.8 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | -168.8 | 100.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K16 | K16-G18 PolarHBondContact O-N 2.94Š|
| 19 | K | 53.5 | Low | 56.8 | Low | 202 Ų | 202 | 147.7 Ų | 147.7 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | | | trans | 68.1 | 92 | 160.4 | -51.6 | -62.8 | -178.3 | 171.8 | 0 | 116.2 | | |
| 20 | S | 52.4 | Low | 56.6 | Low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -58.8 | 130.9 | 143.1 | -48 | 0 | 0 | 0 | 0 | 108.7 | | |
| 21 | D | 60 | Low | 56.4 | Low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -110.5 | 106.9 | 174.5 | -171.9 | 36.5 | 0 | 0 | 0 | 108.7 | G23 | D21-G23 PolarHBondContact O-N 2.9Š|
| 22 | E | 52.8 | Low | 56.7 | Low | 195 Ų | 195 | 152.7 Ų | 152.7 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | | | trans | -80.2 | 72.1 | 174.7 | -75.5 | -175.9 | 109.7 | 0 | 0 | 109.8 | | |
| 23 | G | 58.3 | Low | 56.5 | Low | 53 Ų | 53 | 156 Ų | 156 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | | | trans | -82 | 119.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D21 R25 | D21-G23 PolarHBondContact O-N 2.9Å; G23-R25 PolarHBondContact O-N 3.02Å |
| 24 | E | 57.1 | Low | 56.4 | Low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -56.2 | 123.3 | -175.3 | -58.3 | 178.6 | 113.7 | 0 | 0 | 113.7 | K26 | E24-K26 PolarHBondContact O-N 2.91Š|
| 25 | R | 56.6 | Low | 56.3 | Low | 233 Ų | 233 | 161.9 Ų | 161.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -85.2 | 100.4 | 164.2 | -72 | -173 | 178.1 | 86 | -0.2 | 109.8 | G23 | G23-R25 PolarHBondContact O-N 3.02Š|
| 26 | K | 59 | Low | 56.3 | Low | 178 Ų | 178 | 160.5 Ų | 160.5 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | | | trans | -95.2 | 102.5 | 159.1 | -69.9 | -172 | -178.9 | 179.9 | 0 | 108.7 | E24 | E24-K26 PolarHBondContact O-N 2.91Š|
| 27 | E | 61.3 | Low | 55.9 | Low | 162 Ų | 162 | 159.1 Ų | 159.1 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | trans | -106 | 80.5 | -178.6 | -165.4 | 159.7 | -137.5 | 0 | 0 | 109 | T29 | E27-T29 HydrophobicContact CG-CG2 4.27Å; E27-T29 PolarHBondContact O-N 3.4Å |
| 28 | E | 56.2 | Low | 55.8 | Low | 188 Ų | 188 | 153.8 Ų | 153.8 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | -84.8 | 84.5 | 170 | -73.9 | -175 | 154.1 | 0 | 0 | 109.6 | N30 | E28-N30 PolarHBondContact O-N 3.03Š|
| 29 | T | 59.7 | Low | 55.7 | Low | 113 Ų | 113 | 153.9 Ų | 153.9 | 69% | 0.693 | 81% | 0.813 | S | S | * | * | | | trans | -81.2 | 103.3 | 166.6 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | E27 E31 | E27-T29 HydrophobicContact CG-CG2 4.27Å; E27-T29 PolarHBondContact O-N 3.4Å; T29-E31 PolarHBondContact O-N 3.28Å |
| 30 | N | 58.4 | Low | 55.7 | Low | 147 Ų | 147 | 152.3 Ų | 152.3 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | trans | -60.2 | 105.1 | 167 | -89.4 | -57.3 | 0 | 0 | 0 | 109.7 | E28 K32 | E28-N30 PolarHBondContact O-N 3.03Å; N30-K32 PolarHBondContact O-N 3.39Å; N30-K32 VanDerWaalsContact O-N 3.17Å |
| 31 | E | 52.5 | Low | 55.6 | Low | 193 Ų | 193 | 154.9 Ų | 154.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -62.1 | 111.9 | 158.2 | -79.2 | -179.6 | 143.4 | 0 | 0 | 108.2 | T29 | T29-E31 PolarHBondContact O-N 3.28Š|
| 32 | K | 61 | Low | 55 | Low | 187 Ų | 187 | 152.5 Ų | 152.5 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -115.5 | 116.2 | 159 | -75.1 | -164.3 | 173.4 | -169.8 | 0 | 108 | N30 | N30-K32 PolarHBondContact O-N 3.39Å; N30-K32 VanDerWaalsContact O-N 3.17Å |
| 33 | Q | 55 | Low | 55 | Low | 179 Ų | 179 | 153.2 Ų | 153.2 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -58.4 | 134.6 | 166.5 | -57.2 | 166.2 | -84.7 | 0 | 0 | 107.9 | | |
| 34 | D | 53.1 | Low | 54.3 | Low | 167 Ų | 167 | 153.8 Ų | 153.8 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | | | trans | -134.2 | 123.7 | 157.2 | -136.1 | -15.9 | 0 | 0 | 0 | 107 | | |
| 35 | E | 51.6 | Low | 54.3 | Low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | -89.2 | 126.6 | -169 | -59.7 | 173.1 | 141.7 | 0 | 0 | 108.6 | | |
| 36 | G | 53.1 | Low | 54 | Low | 80 Ų | 80 | 150.7 Ų | 150.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | 179.4 | 28.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 37 | D | 52.5 | Low | 53.8 | Low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | trans | -107.7 | 82.2 | 170 | -168.1 | 22.7 | 0 | 0 | 0 | 110 | | |
| 38 | A | 54.5 | Low | 53.3 | Low | 101 Ų | 101 | 144.8 Ų | 144.8 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -112.7 | 97.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 39 | G | 51.4 | Low | 53.6 | Low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | | | trans | -74.4 | 158 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 40 | D | 52.5 | Low | 53.1 | Low | 168 Ų | 168 | 148.7 Ų | 148.7 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | | | trans | -148.9 | 143.9 | 133.7 | -136.7 | -19.2 | 0 | 0 | 0 | 110.5 | | |
| 41 | Q | 50.4 | Low | 52.9 | Low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -103 | -167.8 | 179.4 | -56.5 | -170.3 | -88.2 | 0 | 0 | 110.6 | | |
| 42 | P | 48.5 | Very low | 53 | Low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 83% | 0.827 | S | S | * | * | | | | -120.5 | 148.1 | -93.3 | 36.2 | -20.5 | 0 | 0 | 0 | 113.6 | | |
| 43 | K | 51.8 | Low | 52.4 | Low | 209 Ų | 209 | 140.8 Ų | 140.8 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -160 | 138 | 153.5 | -83.1 | 116.1 | -172.8 | -176.9 | 0 | 105.1 | | |
| 44 | G | 44.5 | Very low | 52.5 | Low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | | | cis | 97 | 86.3 | 35.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 45 | D | 57.6 | Low | 52.6 | Low | 169 Ų | 169 | 141 Ų | 141 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | | | trans | -169.1 | 135.8 | 149.1 | -92.8 | -31 | 0 | 0 | 0 | 110.2 | | |
| 46 | N | 48.7 | Very low | 52.8 | Low | 170 Ų | 170 | 141.6 Ų | 141.6 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | | | trans | -85.4 | 123.3 | 168.8 | -73.1 | -74.4 | 0 | 0 | 0 | 108.2 | | |
| 47 | A | 54.8 | Low | 53 | Low | 90 Ų | 90 | 146.9 Ų | 146.9 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | | | trans | -141.3 | 114.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E49 | A47-E49 PolarHBondContact O-N 2.81Š|
| 48 | P | 51.1 | Low | 53.4 | Low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | | | trans | -80.2 | 104.7 | 162 | 31.6 | -26.7 | 0 | 0 | 0 | 107.5 | E50 | P48-E50 PolarHBondContact O-N 2.82Š|
| 49 | E | 63.2 | Low | 53.6 | Low | 191 Ų | 191 | 149.2 Ų | 149.2 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | | | trans | -78.1 | 115.6 | 175.1 | -167.5 | 168.8 | -171.9 | 0 | 0 | 109.4 | A47 | A47-E49 PolarHBondContact O-N 2.81Š|
| 50 | E | 49.8 | Very low | 53.7 | Low | 192 Ų | 192 | 150.4 Ų | 150.4 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | | | trans | -69.8 | 130.3 | 171.2 | -60.5 | -170.3 | 156.9 | 0 | 0 | 109.4 | P48 | P48-E50 PolarHBondContact O-N 2.82Š|
| 51 | G | 53.9 | Low | 53.6 | Low | 69 Ų | 69 | 150.9 Ų | 150.9 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | | | trans | -164.9 | 113.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 52 | E | 54.8 | Low | 53.9 | Low | 198 Ų | 198 | 151.1 Ų | 151.1 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | 68.2 | 98.9 | 152.7 | -53.6 | -161.5 | 150 | 0 | 0 | 119.2 | | |
| 53 | A | 47.4 | Very low | 54.4 | Low | 94 Ų | 94 | 155 Ų | 155 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | | | trans | -43 | 144.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 54 | L | 56.9 | Low | 54.6 | Low | 168 Ų | 168 | 152.7 Ų | 152.7 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | | | trans | -139 | 111.7 | 153.3 | -112.2 | 163.7 | 0 | 0 | 0 | 108.9 | | |
| 55 | E | 56 | Low | 54.8 | Low | 183 Ų | 183 | 157.3 Ų | 157.3 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | | | trans | -66.8 | 134.6 | -173.8 | -60.7 | 171.1 | 143 | 0 | 0 | 111 | | |
| 56 | Q | 55.1 | Low | 54.4 | Low | 194 Ų | 194 | 152.6 Ų | 152.6 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | | | trans | -108.2 | 89.8 | 168.9 | -69.6 | -164.2 | -28.8 | 0 | 0 | 109.4 | | |
| 57 | E | 57 | Low | 54.8 | Low | 191 Ų | 191 | 148.9 Ų | 148.9 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | | | trans | -71.4 | 142 | 175.1 | -159 | 176.8 | -163.8 | 0 | 0 | 111.1 | | |
| 58 | K | 62.4 | Low | 54.6 | Low | 187 Ų | 187 | 153.8 Ų | 153.8 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | | | trans | -86.7 | 160.3 | 179.1 | -64.1 | 176.5 | -179.6 | 174.6 | 0 | 110.9 | | |
| 59 | P | 57.4 | Low | 54.7 | Low | 125 Ų | 125 | 151.5 Ų | 151.5 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | | | | -127.6 | 131.7 | 109.2 | 4.8 | 16.2 | 0 | 0 | 0 | 110.8 | | |
| 60 | A | 54.1 | Low | 53.7 | Low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | | | | 79.6 | 108.5 | 70.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 61 | L | 49.9 | Very low | 53.9 | Low | 179 Ų | 179 | 141.4 Ų | 141.4 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | | | trans | -98.8 | 110.8 | 175.5 | -83.3 | 157.5 | 0 | 0 | 0 | 108.7 | | |
| 62 | E | 56.3 | Low | 53.9 | Low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | | | trans | -142.9 | 166.2 | 164.7 | -64.5 | -167.8 | 138.3 | 0 | 0 | 108.9 | | |
| 63 | E | 59.3 | Low | 53.9 | Low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | 84.4 | 122.2 | -146.4 | -61.4 | 179.1 | 174.4 | 0 | 0 | 112.8 | | |
| 64 | K | 56.4 | Low | 54.3 | Low | 159 Ų | 159 | 148.2 Ų | 148.2 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | | | cis | 66 | 144.5 | -7.5 | -66.3 | 170.2 | 158.3 | -79 | 0 | 116.9 | | |
| 65 | E | 48.8 | Very low | 54.6 | Low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | | | cis | -160.3 | 165.4 | -12.5 | -120.7 | 159.2 | -155.3 | 0 | 0 | 106.8 | | |
| 66 | G | 49.3 | Very low | 54.8 | Low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | | | trans | 102.2 | 121.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 67 | A | 57.4 | Low | 54.6 | Low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | cis | 66.6 | 140.3 | 43.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 68 | E | 50.6 | Low | 54.9 | Low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | | | cis | -167 | 167.6 | -5.8 | -119.8 | 169.3 | -150.2 | 0 | 0 | 107.6 | | |
| 69 | G | 52.1 | Low | 54.6 | Low | 78 Ų | 78 | 143.7 Ų | 143.7 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 87.9 | 118.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 70 | G | 43.1 | Very low | 55.1 | Low | 87 Ų | 87 | 144.1 Ų | 144.1 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | | | cis | 91 | 66.8 | 16 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 71 | G | 52.8 | Low | 55.6 | Low | 84 Ų | 84 | 148.4 Ų | 148.4 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | trans | -118.8 | 105.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 72 | D | 55.4 | Low | 56.1 | Low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | | | trans | -86.5 | 142.2 | -167.9 | -160.7 | -136.4 | 0 | 0 | 0 | 113.2 | | |
| 73 | E | 54.6 | Low | 56.8 | Low | 158 Ų | 158 | 149.2 Ų | 149.2 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | | | trans | 0.1 | 123.5 | 162.2 | -60.3 | 175.2 | -179.5 | 0 | 0 | 119.9 | | |
| 74 | Q | 55.4 | Low | 57.4 | Low | 201 Ų | 201 | 146.2 Ų | 146.2 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | trans | -138.4 | 81.6 | 133 | -74.7 | -153.5 | -11.4 | 0 | 0 | 111.2 | | |
| 75 | E | 63.5 | Low | 58.1 | Low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | -8.4 | 124.7 | 144.9 | -169.3 | 175.3 | -129.7 | 0 | 0 | 116.5 | | |
| 76 | K | 58.9 | Low | 59.4 | Low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | | | trans | -144.2 | 128.8 | 150.6 | -75.7 | -156.9 | 174.9 | -175.1 | 0 | 111.1 | | |
| 77 | D | 52.6 | Low | 60.7 | Low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | | | trans | -64 | 136.3 | -173.8 | -46.3 | -97.6 | 0 | 0 | 0 | 113.3 | | |
| 78 | A | 62.1 | Low | 61.3 | Low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -147.3 | 120.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | D80 | A78-D80 PolarHBondContact O-N 3.04Š|
| 79 | E | 56.8 | Low | 62.4 | Low | 208 Ų | 208 | 145.3 Ų | 145.3 | 97% | 0.972 | 81% | 0.808 | S | S | * | * | | | trans | -68.2 | 73.7 | 174.3 | -60.1 | 178.1 | 152.5 | 0 | 0 | 110.9 | | |
| 80 | D | 68.2 | Low | 63.6 | Low | 134 Ų | 134 | 146.2 Ų | 146.2 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | | | trans | -98.8 | 135.5 | 169.2 | -160.3 | 7 | 0 | 0 | 0 | 111 | A78 E82 | A78-D80 PolarHBondContact O-N 3.04Å; D80-E82 PolarHBondContact O-N 2.86Å; D80-E82 VanDerWaalsContact O-N 3.12Å |
| 81 | K | 63.4 | Low | 65.1 | Low | 182 Ų | 182 | 149.2 Ų | 149.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -78.5 | 104.6 | -172.3 | -65.4 | -173.4 | 178.5 | -176 | 0 | 108.6 | K83 | K81-K83 PolarHBondContact O-N 3.38Š|
| 82 | E | 60.7 | Low | 66.1 | Low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | trans | -46.3 | 98.7 | 177.4 | -73.5 | -166.2 | 132.6 | 0 | 0 | 111.6 | D80 | D80-E82 PolarHBondContact O-N 2.86Å; D80-E82 VanDerWaalsContact O-N 3.12Å |
| 83 | K | 70.4 | Confident | 67.1 | Low | 180 Ų | 180 | 150.4 Ų | 150.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.1 | 155.1 | -64.3 | 166.9 | -172.1 | 160.4 | 0 | 105.1 | K81 S85 | K81-K83 PolarHBondContact O-N 3.38Å; K83-S85 PolarHBondContact O-N 3.09Å; K83-S85 VanDerWaalsContact O-N 3.1Å |
| 84 | P | 73.5 | Confident | 68.3 | Low | 125 Ų | 125 | 147.9 Ų | 147.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 124.5 | 173.9 | 23.9 | -33.2 | 0 | 0 | 0 | 108.5 | Q86 | P84-Q86 PolarHBondContact O-N 3.48Š|
| 85 | S | 70.1 | Confident | 69.5 | Low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.9 | 175.8 | 48.4 | 0 | 0 | 0 | 0 | 109 | K83 | K83-S85 PolarHBondContact O-N 3.09Å; K83-S85 VanDerWaalsContact O-N 3.1Å |
| 86 | Q | 76.1 | Confident | 70.1 | Confident | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147.2 | 176.8 | -65.2 | -167 | -97.3 | 0 | 0 | 109.2 | P84 D88 | P84-Q86 PolarHBondContact O-N 3.48Å; Q86-D88 PolarHBondContact O-N 3.24Å |
| 87 | P | 76.2 | Confident | 71.1 | Confident | 106 Ų | 106 | 141.1 Ų | 141.1 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 140.4 | 174.1 | 25.5 | -35 | 0 | 0 | 0 | 109.7 | D89 | P87-D89 PolarHBondContact O-N 3.43Š|
| 88 | D | 71.3 | Confident | 72.6 | Confident | 125 Ų | 125 | 143.6 Ų | 143.6 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | trans | -73.8 | 90.2 | -171.3 | -150.1 | -25.5 | 0 | 0 | 0 | 110.7 | Q86 S90 N91 | Q86-D88 PolarHBondContact O-N 3.24Å; D88-S90 PolarHBondContact O-N 3.45Å; D88-S90 WeakPolarHBondContact OD1-CB 3.4Å; D88-S90 PolarHBondContact OD1-N 2.87Å; D88-S90 PolarHBondContact OD1-OG 3.29Å; D88-N91 PolarHBondContact O-N 3.12Å |
| 89 | D | 73.6 | Confident | 73.5 | Confident | 143 Ų | 143 | 144.6 Ų | 144.6 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -2.8 | 177.3 | -76.1 | -33.9 | 0 | 0 | 0 | 112.9 | P87 N91 | P87-D89 PolarHBondContact O-N 3.43Å; D89-N91 PolarHBondContact O-N 2.98Å; D89-N91 VanDerWaalsContact O-N 3.13Å |
| 90 | S | 77.7 | Confident | 74.6 | Confident | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -19.2 | 172.1 | -57.4 | 0 | 0 | 0 | 0 | 113.9 | D88 S92 | D88-S90 PolarHBondContact O-N 3.45Å; D88-S90 WeakPolarHBondContact OD1-CB 3.4Å; D88-S90 PolarHBondContact OD1-N 2.87Å; D88-S90 PolarHBondContact OD1-OG 3.29Å; S90-S92 PolarHBondContact O-N 3.08Å |
| 91 | N | 73.7 | Confident | 75.3 | Confident | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -72.2 | 77 | 167.4 | -100.1 | -31.9 | 0 | 0 | 0 | 111.1 | D88 D89 L93 | D88-N91 PolarHBondContact O-N 3.12Å; D89-N91 PolarHBondContact O-N 2.98Å; D89-N91 VanDerWaalsContact O-N 3.13Å; N91-L93 PolarHBondContact O-N 3.42Å |
| 92 | S | 74.1 | Confident | 75.9 | Confident | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -57.6 | 114.3 | 175.3 | 74.5 | 0 | 0 | 0 | 0 | 109.9 | S90 | S90-S92 PolarHBondContact O-N 3.08Š|
| 93 | L | 75.9 | Confident | 76.8 | Confident | 148 Ų | 148 | 130.5 Ų | 130.5 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | trans | -51.4 | 139 | 176.5 | -71.9 | 172.8 | 0 | 0 | 0 | 110 | N91 K95 | N91-L93 PolarHBondContact O-N 3.42Å; L93-K95 PolarHBondContact O-N 3.26Å; L93-K95 VanDerWaalsContact O-N 3.1Å |
| 94 | P | 80.8 | Confident | 77.1 | Confident | 105 Ų | 105 | 127.1 Ų | 127.1 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | | | trans | -53.9 | 125 | 178.5 | 22.8 | -33.5 | 0 | 0 | 0 | 108.5 | L96 | P94-L96 PolarHBondContact O-N 3.29Š|
| 95 | K | 80.2 | Confident | 77.1 | Confident | 207 Ų | 207 | 127.2 Ų | 127.2 | 90% | 0.9 | 70% | 0.697 | S | S | * | * | | | trans | -54.9 | 96.6 | -172.3 | -71.8 | 173.8 | -178.6 | 167.3 | 0 | 109.7 | L93 G97 | L93-K95 PolarHBondContact O-N 3.26Å; L93-K95 VanDerWaalsContact O-N 3.1Å; K95-G97 PolarHBondContact O-N 3.4Å; K95-G97 VanDerWaalsContact O-N 3.09Å |
| 96 | L | 75 | Confident | 77 | Confident | 160 Ų | 160 | 127.9 Ų | 127.9 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | | | trans | -58.3 | 119.9 | -177.8 | -67.8 | 176.8 | 0 | 0 | 0 | 107.9 | P94 | P94-L96 PolarHBondContact O-N 3.29Š|
| 97 | G | 80.8 | Confident | 76.7 | Confident | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | | | trans | -55.2 | 156.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K95 | K95-G97 PolarHBondContact O-N 3.4Å; K95-G97 VanDerWaalsContact O-N 3.09Å |
| 98 | K | 83.8 | Confident | 76.1 | Confident | 206 Ų | 206 | 131.4 Ų | 131.4 | 90% | 0.896 | 68% | 0.682 | S | S | * | * | | | trans | -43.1 | 126.4 | -176.6 | -65.5 | 178.6 | -178.6 | 176.7 | 0 | 110.5 | A100 | K98-A100 PolarHBondContact O-N 2.95Š|
| 99 | P | 81.2 | Confident | 75.6 | Confident | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.5 | -174.7 | 23.8 | -33.9 | 0 | 0 | 0 | 110 | S101 | P99-S101 PolarHBondContact O-N 3.44Š|
| 100 | A | 80.1 | Confident | 75.2 | Confident | 53 Ų | 53 | 130.6 Ų | 130.6 | 44% | 0.438 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 135.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K98 Q104 R105 | K98-A100 PolarHBondContact O-N 2.95Å; A100-Q104 HydrophobicContact CB-CB 4.19Å; A100-R105 HydrophobicContact CB-CG 4.22Å; A100-R105 WeakPolarHBondContact O-CD 3.36Å; A100-R105 WeakPolarHBondContact O-CG 3.42Å |
| 101 | S | 82 | Confident | 74.6 | Confident | 57 Ų | 57 | 128.9 Ų | 128.9 | 40% | 0.399 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 151 | -177.6 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | P99 K103 Q104 R105 | P99-S101 PolarHBondContact O-N 3.44Å; S101-K103 PolarHBondContact O-N 3.45Å; S101-K103 VanDerWaalsContact O-N 3.13Å; S101-Q104 WeakPolarHBondContact O-CA 3.42Å; S101-Q104 WeakPolarHBondContact O-CB 3.43Å; S101-Q104 PolarHBondContact O-N 3.18Å; S101-Q104 VanDerWaalsContact OG-CD 3.28Å; S101-Q104 VanDerWaalsContact OG-CG 3.3Å; S101-Q104 WeakPolarHBondContact OG-CG 3.41Å; S101-Q104 PolarHBondContact OG-N 2.84Å; S101-Q104 PolarHBondContact OG-OE1 3.46Å; S101-R105 PolarHBondContact O-N 3.22Å |
| 102 | E | 76.9 | Confident | 74.7 | Confident | 125 Ų | 125 | 123.2 Ų | 123.2 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58.1 | -34.1 | -177.2 | -159.1 | -169.1 | 154.5 | 0 | 0 | 112.3 | R105 K106 | E102-R105 PolarHBondContact O-N 2.94Å; E102-K106 WeakPolarHBondContact O-CB 3.44Å; E102-K106 WeakPolarHBondContact O-CG 3.36Å; E102-K106 PolarHBondContact O-N 3.45Å; E102-K106 WeakPolarHBondContact OE1-CE 3.44Å; E102-K106 IonicContact OE1-NZ 3.33Å; E102-K106 PolarHBondContact OE1-NZ 2.9Å |
| 103 | K | 78.5 | Confident | 75 | Confident | 186 Ų | 186 | 125.6 Ų | 125.6 | 81% | 0.809 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.8 | -46.7 | 171 | -67.1 | -176.9 | 178.5 | 179.6 | 0 | 112 | S101 R107 | S101-K103 PolarHBondContact O-N 3.45Å; S101-K103 VanDerWaalsContact O-N 3.13Å; K103-R107 PolarHBondContact O-N 3.29Å; K103-R107 VanDerWaalsContact O-N 3.16Å |
| 104 | Q | 77.7 | Confident | 75.4 | Confident | 109 Ų | 109 | 125.9 Ų | 125.9 | 51% | 0.509 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.5 | -42.1 | 174.5 | -72.7 | 163.5 | -49.3 | 0 | 0 | 112.1 | A100 S101 R107 K108 | A100-Q104 HydrophobicContact CB-CB 4.19Å; S101-Q104 WeakPolarHBondContact O-CA 3.42Å; S101-Q104 WeakPolarHBondContact O-CB 3.43Å; S101-Q104 PolarHBondContact O-N 3.18Å; S101-Q104 VanDerWaalsContact OG-CD 3.28Å; S101-Q104 VanDerWaalsContact OG-CG 3.3Å; S101-Q104 WeakPolarHBondContact OG-CG 3.41Å; S101-Q104 PolarHBondContact OG-N 2.84Å; S101-Q104 PolarHBondContact OG-OE1 3.46Å; Q104-R107 PolarHBondContact O-N 3.02Å; Q104-K108 PolarHBondContact O-N 3.16Å |
| 105 | R | 73.6 | Confident | 75.6 | Confident | 128 Ų | 128 | 123.9 Ų | 123.9 | 48% | 0.483 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.9 | -42.2 | 178.2 | -66.1 | -179.8 | 79.1 | -174.2 | 8 | 112 | A100 S101 E102 K108 R109 | A100-R105 HydrophobicContact CB-CG 4.22Å; A100-R105 WeakPolarHBondContact O-CD 3.36Å; A100-R105 WeakPolarHBondContact O-CG 3.42Å; S101-R105 PolarHBondContact O-N 3.22Å; E102-R105 PolarHBondContact O-N 2.94Å; R105-K108 PolarHBondContact O-N 3.24Å; R105-R109 PolarHBondContact O-N 2.88Å |
| 106 | K | 68.9 | Low | 75.9 | Confident | 126 Ų | 126 | 123.4 Ų | 123.4 | 55% | 0.548 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.6 | -44.2 | 176.4 | -74.7 | 176.2 | -179.5 | 168.9 | 0 | 111.5 | E102 K108 R109 | E102-K106 WeakPolarHBondContact O-CB 3.44Å; E102-K106 WeakPolarHBondContact O-CG 3.36Å; E102-K106 PolarHBondContact O-N 3.45Å; E102-K106 WeakPolarHBondContact OE1-CE 3.44Å; E102-K106 IonicContact OE1-NZ 3.33Å; E102-K106 PolarHBondContact OE1-NZ 2.9Å; K106-K108 PolarHBondContact O-N 2.83Å; K106-R109 PolarHBondContact O-N 3.5Å; K106-R109 VanDerWaalsContact O-N 3.15Å |
| 107 | R | 68 | Low | 76.7 | Confident | 192 Ų | 192 | 120.9 Ų | 120.9 | 73% | 0.725 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.5 | -30 | 177.4 | -166.1 | 170.4 | 79.3 | 155.5 | 1.5 | 113.9 | K103 Q104 | K103-R107 PolarHBondContact O-N 3.29Å; K103-R107 VanDerWaalsContact O-N 3.16Å; Q104-R107 PolarHBondContact O-N 3.02Å |
| 108 | K | 63.9 | Low | 77.2 | Confident | 157 Ų | 157 | 121.9 Ų | 121.9 | 68% | 0.683 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -85.8 | -17.7 | 178.9 | -68.7 | -69.7 | -171.2 | 173.8 | 0 | 114.4 | Q104 R105 K106 S111 | Q104-K108 PolarHBondContact O-N 3.16Å; R105-K108 PolarHBondContact O-N 3.24Å; K106-K108 PolarHBondContact O-N 2.83Å; K108-S111 PolarHBondContact O-OG 3.27Å; K108-S111 VanDerWaalsContact O-OG 3.06Å |
| 109 | R | 61.3 | Low | 77.6 | Confident | 164 Ų | 164 | 119 Ų | 119 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -80.2 | -42 | -178.3 | -79.8 | 177.8 | 167 | 139.5 | -6.6 | 113 | R105 K106 G112 | R105-R109 PolarHBondContact O-N 2.88Å; K106-R109 PolarHBondContact O-N 3.5Å; K106-R109 VanDerWaalsContact O-N 3.15Å; R109-G112 PolarHBondContact O-N 3.28Å |
| 110 | S | 64.1 | Low | 78.2 | Confident | 88 Ų | 88 | 119.8 Ų | 119.8 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.8 | -34.5 | 179.1 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | G112 | S110-G112 VanDerWaalsContact C-N 3.26Å; S110-G112 PolarHBondContact O-N 2.65Å |
| 111 | S | 66.3 | Low | 78.8 | Confident | 61 Ų | 61 | 121.5 Ų | 121.5 | 43% | 0.427 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -29.3 | 177.9 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | K108 A115 | K108-S111 PolarHBondContact O-OG 3.27Å; K108-S111 VanDerWaalsContact O-OG 3.06Å; S111-A115 WeakPolarHBondContact O-CB 3.38Å; S111-A115 PolarHBondContact O-N 2.93Å |
| 112 | G | 75.6 | Confident | 79.4 | Confident | 31 Ų | 31 | 125.6 Ų | 125.6 | 32% | 0.32 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.1 | -46.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R109 S110 R116 | R109-G112 PolarHBondContact O-N 3.28Å; S110-G112 VanDerWaalsContact C-N 3.26Å; S110-G112 PolarHBondContact O-N 2.65Å; G112-R116 WeakPolarHBondContact O-CG 3.4Å; G112-R116 PolarHBondContact O-N 3.01Å; G112-R116 VanDerWaalsContact O-N 3.12Å |
| 113 | M | 80.4 | Confident | 80.1 | Confident | 154 Ų | 154 | 123.9 Ų | 123.9 | 76% | 0.759 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.3 | -45.4 | 178.1 | -72 | -175.5 | 70.3 | 0 | 0 | 111.8 | A115 R116 H117 | M113-A115 VanDerWaalsContact C-N 3.3Å; M113-A115 PolarHBondContact O-N 3.27Å; M113-R116 PolarHBondContact O-N 3.35Å; M113-H117 PolarHBondContact O-N 3.02Å |
| 114 | K | 83.9 | Confident | 80.7 | Confident | 155 Ų | 155 | 117.6 Ų | 117.6 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.4 | -38.8 | 177.5 | -170.3 | 170 | -177.6 | 173.7 | 0 | 111.7 | M118 | K114-M118 HydrophobicContact CG-CG 4.38Å; K114-M118 WeakPolarHBondContact O-CB 3.39Å; K114-M118 VanDerWaalsContact O-CG 3.25Å; K114-M118 WeakPolarHBondContact O-CG 3.49Å; K114-M118 PolarHBondContact O-N 3.12Å |
| 115 | A | 84.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 115 Ų | 115 | 51% | 0.512 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.9 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S111 M113 K119 | S111-A115 WeakPolarHBondContact O-CB 3.38Å; S111-A115 PolarHBondContact O-N 2.93Å; M113-A115 VanDerWaalsContact C-N 3.3Å; M113-A115 PolarHBondContact O-N 3.27Å; A115-K119 WeakPolarHBondContact O-CB 3.37Å; A115-K119 PolarHBondContact O-N 3.37Å |
| 116 | R | 88.3 | Confident | 82 | Confident | 198 Ų | 198 | 116.3 Ų | 116.3 | 75% | 0.747 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.5 | -50.8 | 174.8 | -72.6 | 175.9 | -175.4 | -171.3 | 0.4 | 111.5 | G112 M113 M118 K119 E120 | G112-R116 WeakPolarHBondContact O-CG 3.4Å; G112-R116 PolarHBondContact O-N 3.01Å; G112-R116 VanDerWaalsContact O-N 3.12Å; M113-R116 PolarHBondContact O-N 3.35Å; R116-M118 PolarHBondContact O-N 2.96Å; R116-K119 WeakPolarHBondContact O-CB 3.36Å; R116-K119 PolarHBondContact O-N 3.2Å; R116-K119 VanDerWaalsContact O-N 3.08Å; R116-E120 PolarHBondContact O-N 2.92Å |
| 117 | H | 91.7 | Very high | 82.8 | Confident | 106 Ų | 106 | 115.9 Ų | 115.9 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60 | -43.2 | 178.5 | -173.7 | -106.3 | 0 | 0 | 0 | 112.4 | M113 K119 E120 L121 | M113-H117 PolarHBondContact O-N 3.02Å; H117-K119 VanDerWaalsContact C-N 3.32Å; H117-K119 PolarHBondContact O-N 3.42Å; H117-E120 PolarHBondContact O-N 3.33Å; H117-L121 WeakPolarHBondContact O-CG 3.29Å; H117-L121 PolarHBondContact O-N 2.9Å |
| 118 | M | 90.4 | Very high | 83.4 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 42% | 0.424 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -30.2 | 175.2 | -71.9 | -56.9 | -56.1 | 0 | 0 | 113.3 | K114 R116 L121 K122 | K114-M118 HydrophobicContact CG-CG 4.38Å; K114-M118 WeakPolarHBondContact O-CB 3.39Å; K114-M118 VanDerWaalsContact O-CG 3.25Å; K114-M118 WeakPolarHBondContact O-CG 3.49Å; K114-M118 PolarHBondContact O-N 3.12Å; R116-M118 PolarHBondContact O-N 2.96Å; M118-L121 HydrophobicContact SD-CD1 4.37Å; M118-K122 WeakPolarHBondContact O-CB 3.25Å; M118-K122 VanDerWaalsContact O-CG 3.29Å; M118-K122 WeakPolarHBondContact O-CG 3.42Å; M118-K122 PolarHBondContact O-N 3.08Å |
| 119 | K | 92.3 | Very high | 83.7 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.6 | -46.1 | 173.2 | -175 | -177.2 | 176.1 | -174.4 | 0 | 110.6 | A115 R116 H117 K122 E123 | A115-K119 WeakPolarHBondContact O-CB 3.37Å; A115-K119 PolarHBondContact O-N 3.37Å; R116-K119 WeakPolarHBondContact O-CB 3.36Å; R116-K119 PolarHBondContact O-N 3.2Å; R116-K119 VanDerWaalsContact O-N 3.08Å; H117-K119 VanDerWaalsContact C-N 3.32Å; H117-K119 PolarHBondContact O-N 3.42Å; K119-K122 PolarHBondContact O-N 2.63Å; K119-E123 WeakPolarHBondContact O-CB 2.96Å; K119-E123 PolarHBondContact O-N 3Å |
| 120 | E | 93.8 | Very high | 83.9 | Confident | 133 Ų | 133 | 101 Ų | 101 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 178.4 | -174.3 | 172 | -170.1 | 0 | 0 | 111.9 | R116 H117 K122 E123 A124 | R116-E120 PolarHBondContact O-N 2.92Å; H117-E120 PolarHBondContact O-N 3.33Å; E120-K122 PolarHBondContact O-N 3.42Å; E120-E123 PolarHBondContact O-N 3.21Å; E120-A124 WeakPolarHBondContact O-CB 3.42Å; E120-A124 PolarHBondContact O-N 3.26Å |
| 121 | L | 92.9 | Very high | 83.9 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 173.8 | -72.1 | 176.4 | 0 | 0 | 0 | 112.7 | H117 M118 E123 A124 A125 | H117-L121 WeakPolarHBondContact O-CG 3.29Å; H117-L121 PolarHBondContact O-N 2.9Å; M118-L121 HydrophobicContact SD-CD1 4.37Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 3.12Å; L121-A124 PolarHBondContact O-N 2.78Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.17Å |
| 122 | K | 93.5 | Very high | 83.5 | Confident | 142 Ų | 142 | 104.4 Ų | 104.4 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -34.9 | 176.4 | -77.5 | -179.5 | 178.2 | -170.5 | 0 | 112.3 | M118 K119 E120 K126 | M118-K122 WeakPolarHBondContact O-CB 3.25Å; M118-K122 VanDerWaalsContact O-CG 3.29Å; M118-K122 WeakPolarHBondContact O-CG 3.42Å; M118-K122 PolarHBondContact O-N 3.08Å; K119-K122 PolarHBondContact O-N 2.63Å; E120-K122 PolarHBondContact O-N 3.42Å; K122-K126 VanDerWaalsContact O-CG 3.31Å; K122-K126 WeakPolarHBondContact O-CG 3.31Å; K122-K126 PolarHBondContact O-N 3.4Å; K122-K126 VanDerWaalsContact O-N 3.16Å |
| 123 | E | 92 | Very high | 82.5 | Confident | 90 Ų | 90 | 107.8 Ų | 107.8 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.4 | -42.2 | 177.3 | -163.5 | -176.3 | 127.6 | 0 | 0 | 111.6 | K119 E120 L121 K126 K127 | K119-E123 WeakPolarHBondContact O-CB 2.96Å; K119-E123 PolarHBondContact O-N 3Å; E120-E123 PolarHBondContact O-N 3.21Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 3.12Å; E123-K126 PolarHBondContact O-N 3.06Å; E123-K127 HydrophobicContact CG-CD 4.32Å; E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 WeakPolarHBondContact O-CG 3.18Å; E123-K127 PolarHBondContact O-N 3.15Å; E123-K127 WeakPolarHBondContact OE1-CE 3.38Å; E123-K127 IonicContact OE1-NZ 3.11Å; E123-K127 PolarHBondContact OE1-NZ 3.1Å |
| 124 | A | 91.7 | Very high | 81.2 | Confident | 53 Ų | 53 | 105.1 Ų | 105.1 | 44% | 0.438 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.3 | -44.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E120 L121 K126 K127 S128 | E120-A124 WeakPolarHBondContact O-CB 3.42Å; E120-A124 PolarHBondContact O-N 3.26Å; L121-A124 PolarHBondContact O-N 2.78Å; A124-K126 PolarHBondContact O-N 2.93Å; A124-K127 PolarHBondContact O-N 3.35Å; A124-S128 PolarHBondContact O-N 3.21Å; A124-S128 PolarHBondContact O-OG 3.32Å |
| 125 | A | 88.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L121 S128 A129 | L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.17Å; A125-S128 WeakPolarHBondContact CA-OG 3.41Å; A125-S128 PolarHBondContact O-OG 3.29Å; A125-A129 WeakPolarHBondContact O-CB 3.49Å; A125-A129 PolarHBondContact O-N 3.37Å |
| 126 | K | 88.8 | Confident | 78.5 | Confident | 156 Ų | 156 | 111.8 Ų | 111.8 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.7 | -45.2 | 172.7 | -75.9 | 177.3 | 176.8 | -166.7 | 0 | 111.7 | K122 E123 A124 S128 A129 S130 | K122-K126 VanDerWaalsContact O-CG 3.31Å; K122-K126 WeakPolarHBondContact O-CG 3.31Å; K122-K126 PolarHBondContact O-N 3.4Å; K122-K126 VanDerWaalsContact O-N 3.16Å; E123-K126 PolarHBondContact O-N 3.06Å; A124-K126 PolarHBondContact O-N 2.93Å; K126-S128 PolarHBondContact O-N 2.83Å; K126-A129 PolarHBondContact O-N 3.38Å; K126-S130 PolarHBondContact O-N 2.9Å; K126-S130 PolarHBondContact O-OG 3.27Å |
| 127 | K | 86.4 | Confident | 76.7 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.9 | -37.4 | 176.9 | -76.6 | 168.2 | 166.8 | 169.7 | 0 | 112.5 | E123 A124 S130 N131 | E123-K127 HydrophobicContact CG-CD 4.32Å; E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 WeakPolarHBondContact O-CG 3.18Å; E123-K127 PolarHBondContact O-N 3.15Å; E123-K127 WeakPolarHBondContact OE1-CE 3.38Å; E123-K127 IonicContact OE1-NZ 3.11Å; E123-K127 PolarHBondContact OE1-NZ 3.1Å; A124-K127 PolarHBondContact O-N 3.35Å; K127-S130 WeakPolarHBondContact CA-OG 3.33Å; K127-S130 PolarHBondContact O-OG 3.42Å; K127-N131 WeakPolarHBondContact O-CB 3.42Å; K127-N131 PolarHBondContact O-N 2.88Å; K127-N131 PolarHBondContact O-ND2 2.97Å |
| 128 | S | 79.6 | Confident | 75.2 | Confident | 71 Ų | 71 | 114.2 Ų | 114.2 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.1 | -42.3 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | A124 A125 K126 S130 N131 S132 | A124-S128 PolarHBondContact O-N 3.21Å; A124-S128 PolarHBondContact O-OG 3.32Å; A125-S128 WeakPolarHBondContact CA-OG 3.41Å; A125-S128 PolarHBondContact O-OG 3.29Å; K126-S128 PolarHBondContact O-N 2.83Å; S128-S130 PolarHBondContact O-N 3.16Å; S128-N131 CarbonylContact O-C 3.56Å; S128-N131 PolarHBondContact O-N 3.43Å; S128-N131 VanDerWaalsContact O-N 3.09Å; S128-S132 WeakPolarHBondContact O-CB 3.3Å; S128-S132 PolarHBondContact O-N 3.13Å; S128-S132 PolarHBondContact O-OG 2.89Å; S128-S132 VanDerWaalsContact O-OG 3.12Å |
| 129 | A | 71.9 | Confident | 73.4 | Confident | 56 Ų | 56 | 118.8 Ų | 118.8 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.9 | -41.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A125 K126 N131 S132 S133 | A125-A129 WeakPolarHBondContact O-CB 3.49Å; A125-A129 PolarHBondContact O-N 3.37Å; K126-A129 PolarHBondContact O-N 3.38Å; A129-N131 VanDerWaalsContact C-N 3.28Å; A129-N131 PolarHBondContact O-N 3.46Å; A129-S132 PolarHBondContact O-N 2.73Å; A129-S132 PolarHBondContact O-OG 3.35Å; A129-S133 PolarHBondContact O-N 2.89Å |
| 130 | S | 65.5 | Low | 71.4 | Confident | 74 Ų | 74 | 122.4 Ų | 122.4 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69 | -23.3 | 174.5 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | K126 K127 S128 | K126-S130 PolarHBondContact O-N 2.9Å; K126-S130 PolarHBondContact O-OG 3.27Å; K127-S130 WeakPolarHBondContact CA-OG 3.33Å; K127-S130 PolarHBondContact O-OG 3.42Å; S128-S130 PolarHBondContact O-N 3.16Å |
| 131 | N | 62.3 | Low | 69.4 | Low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -91.9 | -18.9 | 177.4 | -70.3 | -1.7 | 0 | 0 | 0 | 112.8 | K127 S128 A129 | K127-N131 WeakPolarHBondContact O-CB 3.42Å; K127-N131 PolarHBondContact O-N 2.88Å; K127-N131 PolarHBondContact O-ND2 2.97Å; S128-N131 CarbonylContact O-C 3.56Å; S128-N131 PolarHBondContact O-N 3.43Å; S128-N131 VanDerWaalsContact O-N 3.09Å; A129-N131 VanDerWaalsContact C-N 3.28Å; A129-N131 PolarHBondContact O-N 3.46Å |
| 132 | S | 57.9 | Low | 67.7 | Low | 85 Ų | 85 | 124.6 Ų | 124.6 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -93.4 | -14.9 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | S128 A129 S134 | S128-S132 WeakPolarHBondContact O-CB 3.3Å; S128-S132 PolarHBondContact O-N 3.13Å; S128-S132 PolarHBondContact O-OG 2.89Å; S128-S132 VanDerWaalsContact O-OG 3.12Å; A129-S132 PolarHBondContact O-N 2.73Å; A129-S132 PolarHBondContact O-OG 3.35Å; S132-S134 PolarHBondContact O-N 3.37Å; S132-S134 VanDerWaalsContact O-N 3.08Å |
| 133 | S | 55.7 | Low | 65.8 | Low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 15.3 | -177.4 | 69.2 | 0 | 0 | 0 | 0 | 115.2 | A129 | A129-S133 PolarHBondContact O-N 2.89Š|
| 134 | S | 54.1 | Low | 64 | Low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 1.2 | -170.2 | 178.7 | 0 | 0 | 0 | 0 | 114.5 | S132 | S132-S134 PolarHBondContact O-N 3.37Å; S132-S134 VanDerWaalsContact O-N 3.08Å |
| 135 | K | 55.4 | Low | 62.1 | Low | 186 Ų | 186 | 134.7 Ų | 134.7 | 81% | 0.809 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -138.7 | 135.7 | 178 | -68.2 | -176.9 | 179.5 | 173.8 | 0 | 110.8 | | |
| 136 | Q | 54.7 | Low | 60.5 | Low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | trans | 74.1 | 47.1 | -175.2 | -63 | -172.3 | -90.4 | 0 | 0 | 117.5 | Q138 | Q136-Q138 PolarHBondContact O-N 3.35Š|
| 137 | E | 51.5 | Low | 58.8 | Low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | trans | -72.7 | 81.1 | 132.7 | -179.6 | -176.7 | -159.2 | 0 | 0 | 108.8 | | |
| 138 | Q | 59.7 | Low | 57.4 | Low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | | | trans | -172.2 | 78.3 | 161.6 | -81.3 | -144.1 | -19.7 | 0 | 0 | 109.6 | Q136 | Q136-Q138 PolarHBondContact O-N 3.35Š|
| 139 | H | 51.8 | Low | 56.5 | Low | 182 Ų | 182 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | -170.7 | 73.3 | 155.8 | -90.4 | -57 | 0 | 0 | 0 | 107.8 | | |
| 140 | R | 51.9 | Low | 55.8 | Low | 221 Ų | 221 | 146.3 Ų | 146.3 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -108.3 | 138 | 166.9 | -73.4 | -161.1 | -176.3 | -178.9 | 5 | 109.2 | | |
| 141 | D | 52 | Low | 55.5 | Low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | 59.6 | 58.2 | 151 | -47.3 | -33.7 | 0 | 0 | 0 | 117.9 | | |
| 142 | S | 57 | Low | 55.2 | Low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -106.8 | 85 | 145.4 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 143 | K | 52.9 | Low | 54.8 | Low | 180 Ų | 180 | 154.2 Ų | 154.2 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -67.4 | 158.2 | 161.8 | -89.5 | -177.6 | 175.1 | 178.6 | 0 | 109.8 | | |
| 144 | E | 53.5 | Low | 55.1 | Low | 167 Ų | 167 | 157 Ų | 157 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 76.1 | 141.7 | 165.4 | -70.4 | 150.3 | -159.3 | 0 | 0 | 117.3 | | |
| 145 | D | 52.2 | Low | 55.3 | Low | 150 Ų | 150 | 160.4 Ų | 160.4 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | 60.2 | 78.5 | 160.3 | -56.3 | -25.5 | 0 | 0 | 0 | 120.5 | | |
| 146 | S | 55.2 | Low | 55.5 | Low | 109 Ų | 109 | 154.6 Ų | 154.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | | 175.7 | 92 | 112 | 43.1 | 0 | 0 | 0 | 0 | 114.3 | K148 | S146-K148 PolarHBondContact O-N 2.74Š|
| 147 | A | 53.7 | Low | 56.2 | Low | 114 Ų | 114 | 155.1 Ų | 155.1 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | | | trans | -73.2 | 74.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 148 | K | 57.8 | Low | 57 | Low | 175 Ų | 175 | 152 Ų | 152 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | -147.1 | 117.9 | 177.5 | -79 | -173.6 | 179.6 | 171.2 | 0 | 112.7 | S146 | S146-K148 PolarHBondContact O-N 2.74Š|
| 149 | K | 60.2 | Low | 57.5 | Low | 198 Ų | 198 | 153 Ų | 153 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | 120.8 | 142.5 | 144.7 | -67.9 | 161.7 | 178.2 | -178.3 | 0 | 117.7 | | |
| 150 | S | 56.9 | Low | 58.5 | Low | 102 Ų | 102 | 153.8 Ų | 153.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | 56.6 | 84.8 | 155.8 | 57.8 | 0 | 0 | 0 | 0 | 118.6 | E152 | S150-E152 VanDerWaalsContact C-N 3.32Š|
| 151 | S | 58.5 | Low | 59.6 | Low | 131 Ų | 131 | 152.3 Ų | 152.3 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -93.1 | 64.4 | 141.6 | 61.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 152 | E | 56.6 | Low | 60 | Low | 157 Ų | 157 | 150.6 Ų | 150.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -146.2 | 127.9 | -177.1 | -153.1 | 172.6 | 160.5 | 0 | 0 | 108.8 | S150 | S150-E152 VanDerWaalsContact C-N 3.32Š|
| 153 | E | 49.9 | Very low | 60.6 | Low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 64.6 | 124.2 | -176.7 | -40.9 | -168.6 | 117.8 | 0 | 0 | 113 | | |
| 154 | L | 61 | Low | 60.8 | Low | 161 Ų | 161 | 153.1 Ų | 153.1 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | | -164 | 71.3 | 69.9 | -76.7 | 169.7 | 0 | 0 | 0 | 110.9 | G156 | L154-G156 PolarHBondContact O-N 3.13Š|
| 155 | D | 58.9 | Low | 61.2 | Low | 168 Ų | 168 | 154.3 Ų | 154.3 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | trans | -76.8 | 57 | 169.3 | -116.2 | -34.8 | 0 | 0 | 0 | 111.4 | K157 | D155-K157 VanDerWaalsContact C-N 3.27Å; D155-K157 PolarHBondContact O-N 3.02Å |
| 156 | G | 59.8 | Low | 61.6 | Low | 64 Ų | 64 | 158 Ų | 158 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -73.5 | 68.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L154 P158 | L154-G156 PolarHBondContact O-N 3.13Å; G156-P158 WeakPolarHBondContact O-CD 3.13Å; G156-P158 VanDerWaalsContact O-N 3.1Å |
| 157 | K | 69.6 | Low | 61.7 | Low | 182 Ų | 182 | 163 Ų | 163 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | | | trans | -47.4 | 118.1 | 172.6 | -77.3 | 178.6 | 178.2 | 170.1 | 0 | 110.2 | D155 K159 | D155-K157 VanDerWaalsContact C-N 3.27Å; D155-K157 PolarHBondContact O-N 3.02Å; K157-K159 PolarHBondContact O-N 2.88Å |
| 158 | P | 68.6 | Low | 61.8 | Low | 119 Ų | 119 | 161.5 Ų | 161.5 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -67 | 103.7 | -179 | 25.1 | -33 | 0 | 0 | 0 | 110 | G156 K160 | G156-P158 WeakPolarHBondContact O-CD 3.13Å; G156-P158 VanDerWaalsContact O-N 3.1Å; P158-K160 PolarHBondContact O-N 2.57Å |
| 159 | K | 69.2 | Low | 61.9 | Low | 194 Ų | 194 | 156.9 Ų | 156.9 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | trans | -63.8 | 98.2 | 173.6 | -73 | -175.7 | 178.3 | 175.8 | 0 | 109.1 | K157 K161 | K157-K159 PolarHBondContact O-N 2.88Å; K159-K161 PolarHBondContact O-N 3.5Å |
| 160 | K | 73.7 | Confident | 62 | Low | 197 Ų | 197 | 159.2 Ų | 159.2 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | | | trans | -54.4 | 102.5 | 175.7 | -71 | -175 | 178.5 | 179.5 | 0 | 110.3 | P158 C162 | P158-K160 PolarHBondContact O-N 2.57Å; K160-C162 PolarHBondContact O-N 3.09Å; K160-C162 VanDerWaalsContact O-N 3.17Å |
| 161 | K | 74.2 | Confident | 62.2 | Low | 190 Ų | 190 | 161.5 Ų | 161.5 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | | | trans | -80 | 88.3 | 173.8 | -71.8 | -85.1 | -172.5 | 174.2 | 0 | 109.2 | K159 K163 | K159-K161 PolarHBondContact O-N 3.5Å; K161-K163 PolarHBondContact O-N 3.1Å |
| 162 | C | 59.9 | Low | 61.9 | Low | 115 Ų | 115 | 160.8 Ų | 160.8 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | | | trans | -64.9 | 94.9 | 169.5 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | K160 N164 | K160-C162 PolarHBondContact O-N 3.09Å; K160-C162 VanDerWaalsContact O-N 3.17Å; C162-N164 PolarHBondContact O-N 3.42Å |
| 163 | K | 69.7 | Low | 62.1 | Low | 195 Ų | 195 | 161.8 Ų | 161.8 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | | | trans | -82.2 | 94.2 | 172.7 | -88.8 | -177.3 | 175.6 | 171.8 | 0 | 110.3 | K161 K165 | K161-K163 PolarHBondContact O-N 3.1Å; K163-K165 PolarHBondContact O-N 3.4Å |
| 164 | N | 57.1 | Low | 62.7 | Low | 156 Ų | 156 | 161.3 Ų | 161.3 | 83% | 0.834 | 86% | 0.862 | S | S | * | * | | | trans | -66.1 | 112.5 | 161.7 | -77.3 | 1 | 0 | 0 | 0 | 110.2 | C162 | C162-N164 PolarHBondContact O-N 3.42Š|
| 165 | K | 62.3 | Low | 62.8 | Low | 191 Ų | 191 | 161.3 Ų | 161.3 | 83% | 0.83 | 86% | 0.863 | S | S | * | * | | | trans | -130.6 | 106.6 | 153.7 | -79.8 | -168.4 | 173.9 | -172.4 | 0 | 106.7 | K163 | K163-K165 PolarHBondContact O-N 3.4Š|
| 166 | R | 60.2 | Low | 63 | Low | 229 Ų | 229 | 160.9 Ų | 160.9 | 86% | 0.864 | 86% | 0.861 | S | S | * | * | | | | 61.3 | 97.9 | 89.9 | -71.6 | -176 | 174.6 | -174.7 | -1.4 | 110.2 | | |
| 167 | K | 57.5 | Low | 63.2 | Low | 214 Ų | 214 | 166.6 Ų | 166.6 | 93% | 0.93 | 87% | 0.873 | S | S | * | * | | | | 82.2 | 131.1 | 84.3 | -89.4 | -153.7 | 175.6 | -167.8 | 0 | 112.5 | | |
| 168 | G | 57.1 | Low | 62.7 | Low | 82 Ų | 82 | 165.7 Ų | 165.7 | 85% | 0.845 | 88% | 0.878 | S | S | * | * | | | trans | 108.1 | 114 | -168.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 169 | G | 59.7 | Low | 62.4 | Low | 77 Ų | 77 | 168.8 Ų | 168.8 | 79% | 0.794 | 89% | 0.885 | S | S | * | * | | | cis | 102.6 | 131.7 | 37.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 170 | R | 60.6 | Low | 61.9 | Low | 247 Ų | 247 | 167 Ų | 167 | 93% | 0.932 | 89% | 0.888 | S | S | * | * | | | cis | -141.9 | 163.1 | 23.1 | -65.2 | 168.1 | 178.2 | 142.9 | -1.2 | 111 | | |
| 171 | N | 61.3 | Low | 61 | Low | 150 Ų | 150 | 164.7 Ų | 164.7 | 80% | 0.802 | 89% | 0.89 | S | S | * | * | | | trans | -77.4 | 170.4 | 166.4 | -63.4 | -12.6 | 0 | 0 | 0 | 111 | | |
| 172 | S | 53.5 | Low | 59.9 | Low | 116 Ų | 116 | 162.6 Ų | 162.6 | 81% | 0.811 | 90% | 0.896 | S | S | * | * | | | trans | 58.7 | 107.7 | 149.3 | 62.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 173 | A | 59.4 | Low | 59.8 | Low | 179 Ų | 179 | 166.9 Ų | 166.9 | 100% | 1.479 | 91% | 0.906 | S | S | * | * | | | | -125.6 | 0 | 104.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |