| 1 | M | 43 | Very low | 52.1 | Low | 237 Ų | 237 | 162.6 Ų | 162.6 | 100% | 1.167 | 86% | 0.858 | S | S | * | * | | | | 0 | 92.4 | 0 | -80.6 | -62.6 | -177.4 | 0 | 0 | 110.4 | | |
| 2 | P | 52.4 | Low | 52.1 | Low | 126 Ų | 126 | 162.7 Ų | 162.7 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 144.3 | 162.6 | 31.1 | -20.4 | 0 | 0 | 0 | 111 | | |
| 3 | A | 56.2 | Low | 51.8 | Low | 86 Ų | 86 | 159.4 Ų | 159.4 | 71% | 0.711 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 152.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 4 | P | 56.7 | Low | 51.6 | Low | 130 Ų | 130 | 157.3 Ų | 157.3 | 84% | 0.844 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 137.3 | 174.1 | 28.6 | -34.8 | 0 | 0 | 0 | 111.3 | | |
| 5 | R | 56.6 | Low | 51.3 | Low | 240 Ų | 240 | 151.8 Ų | 151.8 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 133.8 | -179.1 | -59.9 | -179.5 | 80.7 | -166.2 | 6.6 | 110.5 | | |
| 6 | S | 46.8 | Very low | 51 | Low | 118 Ų | 118 | 152.6 Ų | 152.6 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 126.8 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 112 | | |
| 7 | S | 56.6 | Low | 50.7 | Low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | -93 | 114.9 | 174.6 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | S9 | S7-S9 PolarHBondContact O-N 3.03Š|
| 8 | R | 53.5 | Low | 50.9 | Low | 236 Ų | 236 | 153.4 Ų | 153.4 | 89% | 0.891 | 85% | 0.847 | S | S | * | * | | | trans | -68.9 | 122.3 | 174.8 | -76.8 | 179.8 | 166.7 | -176.2 | -4.8 | 110.6 | L10 | R8-L10 PolarHBondContact O-N 3.14Š|
| 9 | S | 47.3 | Very low | 50.9 | Low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | | | trans | -74.9 | 117.8 | 168.6 | -177 | 0 | 0 | 0 | 0 | 110.2 | S7 | S7-S9 PolarHBondContact O-N 3.03Š|
| 10 | L | 54.2 | Low | 51.1 | Low | 152 Ų | 152 | 154.3 Ų | 154.3 | 80% | 0.796 | 84% | 0.839 | S | S | * | * | | | trans | -93.6 | 110.6 | 169.6 | -68.8 | 176.2 | 0 | 0 | 0 | 109.1 | R8 L12 | R8-L10 PolarHBondContact O-N 3.14Å; L10-L12 PolarHBondContact O-N 3.22Å |
| 11 | R | 49.6 | Very low | 51.2 | Low | 239 Ų | 239 | 159 Ų | 159 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | | | trans | -75 | 116.5 | 170 | -72.1 | 179.1 | 171.2 | 174.9 | -3.9 | 109.1 | | |
| 12 | L | 52.3 | Low | 51.7 | Low | 163 Ų | 163 | 151.3 Ų | 151.3 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | -104.2 | 121.9 | 169.2 | -68.4 | 173.7 | 0 | 0 | 0 | 109.1 | L10 | L10-L12 PolarHBondContact O-N 3.22Š|
| 13 | S | 48.8 | Very low | 51.7 | Low | 120 Ų | 120 | 157.1 Ų | 157.1 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | | | trans | -75 | 128.1 | -172.2 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | G15 | S13-G15 PolarHBondContact O-N 3.47Š|
| 14 | T | 49 | Very low | 51.5 | Low | 130 Ų | 130 | 158.8 Ų | 158.8 | 80% | 0.798 | 84% | 0.839 | S | S | * | * | | | trans | -75.9 | 88.8 | 177 | 39 | 0 | 0 | 0 | 0 | 111.9 | L16 | T14-L16 PolarHBondContact O-N 3.21Å; T14-L16 VanDerWaalsContact O-N 3.08Å |
| 15 | G | 47.2 | Very low | 51.4 | Low | 75 Ų | 75 | 158 Ų | 158 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -69.8 | 96.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S13 G17 | S13-G15 PolarHBondContact O-N 3.47Å; G15-G17 PolarHBondContact O-N 3.39Å |
| 16 | L | 46.1 | Very low | 51.2 | Low | 164 Ų | 164 | 158 Ų | 158 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | | | trans | -74.6 | 84.1 | -177.9 | -68 | 174.2 | 0 | 0 | 0 | 113.2 | T14 | T14-L16 PolarHBondContact O-N 3.21Å; T14-L16 VanDerWaalsContact O-N 3.08Å |
| 17 | G | 46.4 | Very low | 51.6 | Low | 74 Ų | 74 | 157.9 Ų | 157.9 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 121.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | G15 | G15-G17 PolarHBondContact O-N 3.39Š|
| 18 | R | 53.5 | Low | 51.6 | Low | 246 Ų | 246 | 158.3 Ų | 158.3 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 129.7 | 180 | -71.5 | -178.1 | 173.8 | -177.9 | -2.1 | 112.7 | | |
| 19 | V | 51.8 | Low | 51.7 | Low | 138 Ų | 138 | 157.7 Ų | 157.7 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 129 | 172.3 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 20 | R | 54.5 | Low | 52 | Low | 187 Ų | 187 | 158.5 Ų | 158.5 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 121.5 | 170 | -81.1 | -179.4 | 163.4 | -166.3 | -7.5 | 110.5 | S93 | R20-S93 PolarHBondContact NH2-O 3.28Š|
| 21 | R | 53.7 | Low | 52.2 | Low | 254 Ų | 254 | 157.1 Ų | 157.1 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 124.8 | 168.1 | -74.6 | -172.1 | 176.3 | -173.9 | -0.3 | 110.9 | | |
| 22 | G | 52.5 | Low | 52.5 | Low | 75 Ų | 75 | 151.1 Ų | 151.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84 | 161.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 23 | R | 53.1 | Low | 52.5 | Low | 247 Ų | 247 | 148.5 Ų | 148.5 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 133.9 | 176.1 | -81.6 | 173.7 | 155.8 | -179.8 | -9.9 | 111.2 | | |
| 24 | S | 51.7 | Low | 53.1 | Low | 122 Ų | 122 | 148.9 Ų | 148.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 124.6 | 159 | -177 | 0 | 0 | 0 | 0 | 109.8 | | |
| 25 | T | 53.6 | Low | 53.3 | Low | 113 Ų | 113 | 153.5 Ų | 153.5 | 69% | 0.693 | 81% | 0.809 | S | S | * | * | | | trans | -98.7 | 112.3 | 172.8 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | V27 | T25-V27 PolarHBondContact O-N 3.35Š|
| 26 | R | 52.6 | Low | 53.3 | Low | 239 Ų | 239 | 156.1 Ų | 156.1 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -72.7 | 93.4 | 178.8 | -165.4 | -179.7 | -163.5 | -179.6 | 6 | 110.4 | V28 | R26-V28 PolarHBondContact O-N 2.78Š|
| 27 | V | 55.1 | Low | 53.6 | Low | 116 Ų | 116 | 153 Ų | 153 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | | | trans | -67.7 | 113.5 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | T25 R29 | T25-V27 PolarHBondContact O-N 3.35Å; V27-R29 PolarHBondContact O-N 3.05Å |
| 28 | V | 56.3 | Low | 53.4 | Low | 124 Ų | 124 | 153.6 Ų | 153.6 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | -73.8 | 105.7 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | R26 T30 | R26-V28 PolarHBondContact O-N 2.78Å; V28-T30 PolarHBondContact O-N 2.78Å |
| 29 | R | 57.5 | Low | 53.1 | Low | 224 Ų | 224 | 153 Ų | 153 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -79.7 | 100.1 | 172 | -82.7 | -179.4 | 157.8 | 147.6 | -6.4 | 109.5 | V27 V31 | V27-R29 PolarHBondContact O-N 3.05Å; R29-V31 PolarHBondContact O-N 2.77Å |
| 30 | T | 53.7 | Low | 53.2 | Low | 127 Ų | 127 | 151.9 Ų | 151.9 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -66 | 109.4 | 165.1 | -50 | 0 | 0 | 0 | 0 | 108.6 | V28 | V28-T30 PolarHBondContact O-N 2.78Š|
| 31 | V | 56.4 | Low | 53.3 | Low | 122 Ų | 122 | 149 Ų | 149 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81 | 127 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | R29 S33 | R29-V31 PolarHBondContact O-N 2.77Å; V31-S33 PolarHBondContact O-N 3.26Å |
| 32 | P | 56.8 | Low | 53.7 | Low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 130 | 173.3 | -17.4 | 31.1 | 0 | 0 | 0 | 110.8 | | |
| 33 | S | 52.4 | Low | 53.7 | Low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 136.4 | 174.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | V31 R35 | V31-S33 PolarHBondContact O-N 3.26Å; S33-R35 PolarHBondContact O-N 3.07Å |
| 34 | P | 61.9 | Low | 53.9 | Low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.2 | 177.3 | 26.2 | -33.5 | 0 | 0 | 0 | 110.5 | S36 | P34-S36 PolarHBondContact O-N 3.12Å; P34-S36 VanDerWaalsContact O-N 3.14Å |
| 35 | R | 52.6 | Low | 54 | Low | 227 Ų | 227 | 142.6 Ų | 142.6 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -73.2 | 106.2 | 178 | -66.1 | 179.7 | 79.1 | -169.5 | 6.2 | 109.4 | S33 S37 | S33-R35 PolarHBondContact O-N 3.07Å; R35-S37 PolarHBondContact O-N 3Å; R35-S37 PolarHBondContact O-OG 2.67Å |
| 36 | S | 48 | Very low | 54.1 | Low | 129 Ų | 129 | 141.4 Ų | 141.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -47.9 | 116.9 | 166.4 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | P34 | P34-S36 PolarHBondContact O-N 3.12Å; P34-S36 VanDerWaalsContact O-N 3.14Å |
| 37 | S | 52 | Low | 54.4 | Low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | trans | -137.5 | 108.4 | -178.5 | -55.4 | 0 | 0 | 0 | 0 | 105.5 | R35 R39 | R35-S37 PolarHBondContact O-N 3Å; R35-S37 PolarHBondContact O-OG 2.67Å; S37-R39 PolarHBondContact O-N 3.39Å |
| 38 | G | 41.4 | Very low | 54.4 | Low | 86 Ų | 86 | 142.6 Ų | 142.6 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -63.5 | 133.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 39 | R | 48.7 | Very low | 54.4 | Low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | -114.6 | 116.9 | 162.2 | -165.7 | 177.5 | -169.5 | -159.9 | 1.7 | 107.9 | S37 T41 | S37-R39 PolarHBondContact O-N 3.39Å; R39-T41 PolarHBondContact O-N 3.19Å |
| 40 | S | 53 | Low | 54.5 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.6 | 177.9 | 33.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 41 | T | 57.3 | Low | 54.8 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124.2 | 168.9 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | R39 | R39-T41 PolarHBondContact O-N 3.19Š|
| 42 | P | 61.3 | Low | 54.6 | Low | 98 Ų | 98 | 136.2 Ų | 136.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 131.8 | 157.2 | 30.9 | -30.3 | 0 | 0 | 0 | 108.2 | M44 | P42-M44 HydrophobicContact CG-CE 4.44Å; P42-M44 PolarHBondContact O-N 3.31Å |
| 43 | E | 51.6 | Low | 54.6 | Low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 131 | 163.3 | -71.1 | -169.1 | 116.1 | 0 | 0 | 108.9 | | |
| 44 | M | 59.2 | Low | 54.9 | Low | 157 Ų | 157 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -142.1 | 89.1 | 169 | 39.5 | 178.6 | 56 | 0 | 0 | 107.8 | P42 A46 | P42-M44 HydrophobicContact CG-CE 4.44Å; P42-M44 PolarHBondContact O-N 3.31Å; M44-A46 PolarHBondContact O-N 3.17Å; M44-A46 VanDerWaalsContact O-N 3.12Å |
| 45 | S | 52.1 | Low | 54.7 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -62.9 | 108.6 | 172.3 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 46 | A | 57.4 | Low | 55 | Low | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -108.5 | 99.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | M44 F48 | M44-A46 PolarHBondContact O-N 3.17Å; M44-A46 VanDerWaalsContact O-N 3.12Å; A46-F48 PolarHBondContact O-N 3.32Å |
| 47 | E | 58.3 | Low | 55.3 | Low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -67.7 | 94.7 | 169.3 | -69.1 | 166.6 | 105 | 0 | 0 | 108.3 | D49 | E47-D49 PolarHBondContact O-N 3.36Å; E47-D49 VanDerWaalsContact O-N 3.07Å |
| 48 | F | 55.4 | Low | 55.3 | Low | 186 Ų | 186 | 140.1 Ų | 140.1 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 90.5 | 177.9 | -161.9 | -88.2 | 0 | 0 | 0 | 110 | A46 S50 | A46-F48 PolarHBondContact O-N 3.32Å; F48-S50 PolarHBondContact O-N 3.1Å; F48-S50 PolarHBondContact O-OG 2.77Å |
| 49 | D | 56.2 | Low | 55.8 | Low | 111 Ų | 111 | 139.9 Ų | 139.9 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | | | trans | -57.9 | 128.7 | -179.8 | -171.2 | 15.1 | 0 | 0 | 0 | 111.4 | E47 H51 | E47-D49 PolarHBondContact O-N 3.36Å; E47-D49 VanDerWaalsContact O-N 3.07Å; D49-H51 VanDerWaalsContact C-N 3.34Å; D49-H51 PolarHBondContact O-N 3.28Å; D49-H51 IonicContact OD1-CD2 3.49Å; D49-H51 PolarHBondContact OD1-CD2 3.39Å; D49-H51 IonicContact OD1-CE1 3.66Å; D49-H51 IonicContact OD1-CG 3.72Å; D49-H51 IonicContact OD1-ND1 3.47Å; D49-H51 IonicContact OD1-NE2 3.74Å; D49-H51 IonicContact OD2-CD2 3.69Å; D49-H51 PolarHBondContact OD2-CD2 3.49Å; D49-H51 VanDerWaalsContact OD2-CD2 3.22Å; D49-H51 IonicContact OD2-CG 3.7Å; D49-H51 IonicContact OD2-NE2 3.22Å |
| 50 | S | 58.9 | Low | 55.7 | Low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -97.2 | 60 | -167.4 | -65.6 | 0 | 0 | 0 | 0 | 110.5 | F48 | F48-S50 PolarHBondContact O-N 3.1Å; F48-S50 PolarHBondContact O-OG 2.77Å |
| 51 | H | 59.9 | Low | 55.3 | Low | 152 Ų | 152 | 138.1 Ų | 138.1 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | | | trans | -120.7 | 107.3 | -170.5 | -78.1 | -2.1 | 0 | 0 | 0 | 113.5 | D49 | D49-H51 VanDerWaalsContact C-N 3.34Å; D49-H51 PolarHBondContact O-N 3.28Å; D49-H51 IonicContact OD1-CD2 3.49Å; D49-H51 PolarHBondContact OD1-CD2 3.39Å; D49-H51 IonicContact OD1-CE1 3.66Å; D49-H51 IonicContact OD1-CG 3.72Å; D49-H51 IonicContact OD1-ND1 3.47Å; D49-H51 IonicContact OD1-NE2 3.74Å; D49-H51 IonicContact OD2-CD2 3.69Å; D49-H51 PolarHBondContact OD2-CD2 3.49Å; D49-H51 VanDerWaalsContact OD2-CD2 3.22Å; D49-H51 IonicContact OD2-CG 3.7Å; D49-H51 IonicContact OD2-NE2 3.22Å |
| 52 | A | 53.4 | Low | 55.2 | Low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 51.9 | 83 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | P54 | A52-P54 WeakPolarHBondContact O-CD 3.49Š|
| 53 | V | 55.9 | Low | 54.5 | Low | 142 Ų | 142 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 119.6 | 149.8 | 179.9 | 0 | 0 | 0 | 0 | 108 | | |
| 54 | P | 58.3 | Low | 54.6 | Low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 138.8 | 176.2 | -16.4 | 31.6 | 0 | 0 | 0 | 111 | A52 | A52-P54 WeakPolarHBondContact O-CD 3.49Š|
| 55 | L | 58.5 | Low | 54.5 | Low | 158 Ų | 158 | 140.2 Ų | 140.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 133.3 | 165.3 | -66.5 | 173.4 | 0 | 0 | 0 | 108.9 | N57 | L55-N57 PolarHBondContact O-N 3.39Š|
| 56 | P | 59.1 | Low | 54.4 | Low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.6 | 172.7 | 28 | -32.9 | 0 | 0 | 0 | 109.6 | | |
| 57 | N | 53.5 | Low | 54.1 | Low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 150.2 | -178.6 | -66.3 | -45.6 | 0 | 0 | 0 | 111.9 | L55 A59 | L55-N57 PolarHBondContact O-N 3.39Å; N57-A59 VanDerWaalsContact C-N 3.28Å; N57-A59 PolarHBondContact O-N 3.35Å |
| 58 | E | 52.3 | Low | 53.7 | Low | 210 Ų | 210 | 144.5 Ų | 144.5 | 98% | 0.981 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -69.1 | 74.4 | 178.5 | -60.5 | -178 | 113.8 | 0 | 0 | 112.3 | | |
| 59 | A | 50.9 | Low | 53.6 | Low | 81 Ų | 81 | 141.8 Ų | 141.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | -149.7 | 32.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | N57 | N57-A59 VanDerWaalsContact C-N 3.28Å; N57-A59 PolarHBondContact O-N 3.35Å |
| 60 | Q | 48.1 | Very low | 52.9 | Low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | -129.5 | 74.2 | 167.8 | -71.9 | -166.3 | -27.5 | 0 | 0 | 111.4 | | |
| 61 | T | 43.1 | Very low | 52.4 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -70.3 | 165.7 | 151.3 | 44.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 62 | E | 54.8 | Low | 51.9 | Low | 188 Ų | 188 | 139.1 Ų | 139.1 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 75 | 129.6 | -178.9 | -52.8 | 159.7 | -125 | 0 | 0 | 112.8 | | |
| 63 | E | 48.6 | Very low | 51.6 | Low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | cis | -132.2 | 120 | 2.6 | -177.4 | -165.5 | 173.2 | 0 | 0 | 110.4 | V65 | E63-V65 HydrophobicContact CG-CG2 4.38Å; E63-V65 PolarHBondContact O-N 3.4Å |
| 64 | L | 53.6 | Low | 50.9 | Low | 168 Ų | 168 | 139.1 Ų | 139.1 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -86.1 | 87.7 | 171.1 | -78.8 | 177.3 | 0 | 0 | 0 | 111.1 | S66 | L64-S66 PolarHBondContact O-N 3.03Å; L64-S66 PolarHBondContact O-OG 2.98Å |
| 65 | V | 56 | Low | 50.3 | Low | 99 Ų | 99 | 138.6 Ų | 138.6 | 60% | 0.6 | 80% | 0.797 | S | S | * | * | | | trans | -54.4 | 105.9 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | E63 L67 | E63-V65 HydrophobicContact CG-CG2 4.38Å; E63-V65 PolarHBondContact O-N 3.4Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 PolarHBondContact O-N 2.75Å |
| 66 | S | 49.9 | Very low | 49.6 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | -75.7 | 76.5 | -175.8 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | L64 R68 | L64-S66 PolarHBondContact O-N 3.03Å; L64-S66 PolarHBondContact O-OG 2.98Å; S66-R68 VanDerWaalsContact C-N 3.31Å; S66-R68 PolarHBondContact O-N 2.88Å |
| 67 | L | 51.3 | Low | 48.9 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -62.1 | 89.6 | 168.2 | -82.7 | 168.3 | 0 | 0 | 0 | 110.2 | V65 V69 | V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 PolarHBondContact O-N 2.75Å; L67-V69 PolarHBondContact O-N 3.3Å |
| 68 | R | 49.1 | Very low | 48.8 | Very low | 237 Ų | 237 | 133.6 Ų | 133.6 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -70.4 | 77.3 | 175.3 | -69.4 | -178.1 | 178.4 | 178.2 | -0 | 110.8 | S66 S70 | S66-R68 VanDerWaalsContact C-N 3.31Å; S66-R68 PolarHBondContact O-N 2.88Å; R68-S70 PolarHBondContact O-N 2.8Å |
| 69 | V | 53.2 | Low | 48.1 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -64.5 | 104.7 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | L67 | L67-V69 PolarHBondContact O-N 3.3Š|
| 70 | S | 41.9 | Very low | 47.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.9 | 176.4 | -167.4 | 0 | 0 | 0 | 0 | 109.4 | R68 A72 | R68-S70 PolarHBondContact O-N 2.8Å; S70-A72 PolarHBondContact O-N 3.32Å |
| 71 | P | 48.2 | Very low | 47.3 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 117.6 | -176.7 | 27 | -33.5 | 0 | 0 | 0 | 110.7 | | |
| 72 | A | 49.2 | Very low | 47.4 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | S70 A74 | S70-A72 PolarHBondContact O-N 3.32Å; A72-A74 PolarHBondContact O-N 3.42Å |
| 73 | P | 47.1 | Very low | 46.8 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.9 | -176.2 | 25.2 | -34.1 | 0 | 0 | 0 | 111.5 | A75 | P73-A75 PolarHBondContact O-N 2.81Å; P73-A75 VanDerWaalsContact O-N 3.07Å |
| 74 | A | 41.7 | Very low | 46.5 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -65.5 | 106.7 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | A72 | A72-A74 PolarHBondContact O-N 3.42Š|
| 75 | A | 45.7 | Very low | 46 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -88.7 | 126.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109 | P73 A77 | P73-A75 PolarHBondContact O-N 2.81Å; P73-A75 VanDerWaalsContact O-N 3.07Å; A75-A77 PolarHBondContact O-N 3.42Å |
| 76 | A | 44.5 | Very low | 45.4 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -72.3 | 119.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113 | T78 | A76-T78 PolarHBondContact O-N 3.32Š|
| 77 | A | 44.1 | Very low | 45.3 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -85.6 | 101.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A75 | A75-A77 PolarHBondContact O-N 3.42Š|
| 78 | T | 50.4 | Low | 45 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -108 | 102.2 | 179.9 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | A76 | A76-T78 PolarHBondContact O-N 3.32Š|
| 79 | L | 39.1 | Very low | 45.1 | Very low | 173 Ų | 173 | 125.3 Ų | 125.3 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | -75 | 138.9 | 169.5 | -69.4 | 163.6 | 0 | 0 | 0 | 110.3 | | |
| 80 | S | 42 | Very low | 44.5 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -153.1 | 141.8 | 165.8 | -165.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 81 | T | 38.9 | Very low | 44.6 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -100.8 | 149.4 | -172.6 | -42.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 82 | F | 45.4 | Very low | 44.3 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | | | trans | -125.9 | 146.9 | 168.5 | -86.7 | -86.4 | 0 | 0 | 0 | 111.7 | | |
| 83 | T | 43.7 | Very low | 43.9 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -118.4 | 155.6 | -175 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 84 | D | 40.8 | Very low | 43.8 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | trans | -77.5 | 155.2 | -171.3 | 172.7 | 36.3 | 0 | 0 | 0 | 114.7 | Q86 | D84-Q86 PolarHBondContact OD1-N 3.45Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.45Å; D84-Q86 PolarHBondContact OD2-NE2 3.38Å |
| 85 | S | 43.7 | Very low | 43.8 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -161.1 | 59 | 161.7 | -77.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 86 | Q | 42.5 | Very low | 43.8 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | | 50.5 | 157.3 | 129.4 | -65.9 | -66 | -20.4 | 0 | 0 | 125.5 | D84 | D84-Q86 PolarHBondContact OD1-N 3.45Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.45Å; D84-Q86 PolarHBondContact OD2-NE2 3.38Å |
| 87 | Q | 47.8 | Very low | 43.6 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 77.3 | 148 | 162.8 | -55.6 | -160.5 | -3.6 | 0 | 0 | 120.1 | | |
| 88 | T | 45.6 | Very low | 43.5 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | cis | -161.6 | 150.4 | -21.3 | -87.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 89 | P | 51.3 | Low | 43 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | trans | -127 | 177.8 | -166 | 43.5 | -30.3 | 0 | 0 | 0 | 117.9 | | |
| 90 | A | 40.7 | Very low | 43 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -151.7 | 153.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 91 | A | 44.1 | Very low | 43.3 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 54.7 | 124.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 92 | R | 41.5 | Very low | 43.5 | Very low | 243 Ų | 243 | 136.6 Ų | 136.6 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | | 61 | 133.5 | 52.4 | -58.5 | 178.7 | 67.3 | -178.5 | -0.3 | 112.8 | | |
| 93 | S | 41.1 | Very low | 43.1 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 56% | 0.559 | 78% | 0.776 | S | S | * | * | | | cis | -144 | -163.8 | -1.9 | 57.7 | 0 | 0 | 0 | 0 | 108.8 | R20 | R20-S93 PolarHBondContact NH2-O 3.28Š|
| 94 | N | 43.9 | Very low | 42.9 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | cis | -145.7 | -165 | -6.6 | -148.7 | 43.7 | 0 | 0 | 0 | 108.7 | | |
| 95 | L | 42 | Very low | 43.3 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -158.8 | 153.4 | 164.1 | -157.2 | 73.8 | 0 | 0 | 0 | 111.2 | | |
| 96 | D | 45.7 | Very low | 43.6 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -117.2 | 168 | 173.5 | -156.1 | -4.1 | 0 | 0 | 0 | 111.9 | | |
| 97 | R | 41.7 | Very low | 43.4 | Very low | 223 Ų | 223 | 132.4 Ų | 132.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -92.1 | 145.1 | -167.6 | -66.4 | 165.6 | 151.6 | 171.2 | -9.2 | 113.7 | | |
| 98 | S | 42.3 | Very low | 43.4 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | | 163.3 | 137 | 103.3 | -72.3 | 0 | 0 | 0 | 0 | 116 | | |
| 99 | S | 39.1 | Very low | 43.3 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 69.6 | 137.9 | 143.3 | -149.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 100 | S | 39.5 | Very low | 43 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | 60.1 | 149.2 | 161.9 | -87.9 | 0 | 0 | 0 | 0 | 119 | | |
| 101 | A | 47.8 | Very low | 43.1 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | | | cis | -148.6 | 171.2 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 102 | P | 43.2 | Very low | 43.2 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -88.3 | 174.1 | -172.3 | 36 | -36.3 | 0 | 0 | 0 | 114.9 | | |
| 103 | A | 36.1 | Very low | 43.4 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | 78.7 | 114.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 104 | V | 41.5 | Very low | 43.4 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | | 177.4 | 125.9 | 123.9 | 151.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 105 | M | 47.5 | Very low | 43.6 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 118.8 | 170.5 | -69.9 | -97.8 | 58.7 | 0 | 0 | 108.3 | S107 | M105-S107 PolarHBondContact O-N 3.02Š|
| 106 | P | 50 | Low | 43.7 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 128.2 | 170.4 | 28.7 | -32.5 | 0 | 0 | 0 | 109.1 | A108 | P106-A108 PolarHBondContact O-N 3.42Š|
| 107 | S | 38.5 | Very low | 43.9 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.4 | 172.4 | -166.2 | 0 | 0 | 0 | 0 | 109.1 | M105 E109 | M105-S107 PolarHBondContact O-N 3.02Å; S107-E109 PolarHBondContact O-N 2.89Å |
| 108 | A | 47.9 | Very low | 43.9 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 52% | 0.521 | 78% | 0.776 | S | S | . | * | | | trans | -88.6 | 103.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P106 Y110 | P106-A108 PolarHBondContact O-N 3.42Å; A108-Y110 HydrophobicContact CB-CE2 4.14Å; A108-Y110 WeakPolarHBondContact O-CD2 3.48Å; A108-Y110 WeakPolarHBondContact O-CE2 3.45Å; A108-Y110 PolarHBondContact O-N 3.3Å |
| 109 | E | 43.4 | Very low | 43.9 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -69.3 | 112 | 164.9 | -73.5 | 174.9 | 95.4 | 0 | 0 | 109.2 | S107 T111 | S107-E109 PolarHBondContact O-N 2.89Å; E109-T111 VanDerWaalsContact C-N 3.29Å; E109-T111 PolarHBondContact O-N 2.99Å |
| 110 | Y | 45.2 | Very low | 44 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -78.6 | 74.1 | -178.4 | -71.8 | -91.3 | 0 | 0 | 0 | 111.5 | A108 V112 | A108-Y110 HydrophobicContact CB-CE2 4.14Å; A108-Y110 WeakPolarHBondContact O-CD2 3.48Å; A108-Y110 WeakPolarHBondContact O-CE2 3.45Å; A108-Y110 PolarHBondContact O-N 3.3Å; Y110-V112 PolarHBondContact O-N 3.18Å |
| 111 | T | 43.8 | Very low | 44.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | -68.6 | 110.3 | 171.9 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | E109 P113 | E109-T111 VanDerWaalsContact C-N 3.29Å; E109-T111 PolarHBondContact O-N 2.99Å; T111-P113 WeakPolarHBondContact O-CD 3.46Å |
| 112 | V | 45.5 | Very low | 44.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | | | trans | -67.7 | 125.4 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | Y110 S114 | Y110-V112 PolarHBondContact O-N 3.18Å; V112-S114 PolarHBondContact O-N 2.96Å |
| 113 | P | 46 | Very low | 45 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -79.6 | 118.9 | 175.1 | -8.9 | 25.9 | 0 | 0 | 0 | 111.3 | T111 E115 | T111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-E115 PolarHBondContact O-N 2.8Å |
| 114 | S | 41.9 | Very low | 45.5 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -76.8 | 115 | 166 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | V112 | V112-S114 PolarHBondContact O-N 2.96Š|
| 115 | E | 47.6 | Very low | 45.8 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -86.5 | 141 | 177.4 | -165.4 | 171 | 136.6 | 0 | 0 | 112 | P113 | P113-E115 PolarHBondContact O-N 2.8Š|
| 116 | T | 43.1 | Very low | 46.1 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -108.7 | 116.5 | 179.7 | -53.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 117 | V | 50.6 | Low | 45.8 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 126 | -175.5 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 118 | P | 42.1 | Very low | 46.1 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 156.3 | 170.8 | 33.5 | -33.8 | 0 | 0 | 0 | 112.5 | | |
| 119 | V | 42.5 | Very low | 46 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 154.2 | -169 | 167.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 120 | E | 40.2 | Very low | 45.9 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | 67.7 | 115.9 | 169.5 | -86.4 | 179.5 | -148.6 | 0 | 0 | 119.1 | | |
| 121 | M | 52.4 | Low | 45.4 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 98% | 0.975 | 79% | 0.788 | S | S | * | * | | | trans | -143.6 | 134.6 | 135.1 | -100.6 | -172 | -171.3 | 0 | 0 | 110.8 | | |
| 122 | K | 48.4 | Very low | 45.3 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -104.1 | 115 | -167.3 | -172.1 | 171.1 | -176.7 | 170.6 | 0 | 110.6 | S124 | K122-S124 PolarHBondContact O-N 3.41Š|
| 123 | A | 49.8 | Very low | 45.1 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -62.3 | 128.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 124 | S | 47.4 | Very low | 45.2 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -108.2 | 99 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | K122 K126 | K122-S124 PolarHBondContact O-N 3.41Å; S124-K126 PolarHBondContact O-N 2.95Å; S124-K126 VanDerWaalsContact O-N 3.07Å |
| 125 | N | 49.1 | Very low | 45.9 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -73.4 | 95.2 | 178.2 | -74.2 | -12.6 | 0 | 0 | 0 | 110.6 | | |
| 126 | K | 52.8 | Low | 45.9 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | -105.6 | 102.9 | 173.8 | 54.8 | -169.9 | 176.7 | -177.5 | 0 | 110.4 | S124 L128 | S124-K126 PolarHBondContact O-N 2.95Å; S124-K126 VanDerWaalsContact O-N 3.07Å; K126-L128 PolarHBondContact O-N 2.74Å |
| 127 | C | 42.8 | Very low | 46.3 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | trans | -69.2 | 123.9 | 169.5 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 128 | L | 45 | Very low | 46.2 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -93.1 | 96.7 | 167.9 | -75.8 | 167.3 | 0 | 0 | 0 | 108.2 | K126 | K126-L128 PolarHBondContact O-N 2.74Š|
| 129 | T | 46.2 | Very low | 46.8 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | | | trans | -95.6 | 90 | 173.8 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 130 | D | 41.7 | Very low | 47.5 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | -91.6 | 142 | 156.2 | -97.9 | -44 | 0 | 0 | 0 | 109.3 | | |
| 131 | G | 35.2 | Very low | 48.3 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 60.5 | 106.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 132 | A | 41.1 | Very low | 48.6 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 58.9 | 91 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | S134 | A132-S134 PolarHBondContact O-N 3.47Å; A132-S134 VanDerWaalsContact O-N 3.14Å |
| 133 | G | 40.9 | Very low | 49 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | trans | 76 | 8.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | K135 | G133-K135 PolarHBondContact O-N 3.07Š|
| 134 | S | 48.5 | Very low | 49.4 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -61.9 | 108.9 | 177.1 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | A132 C136 | A132-S134 PolarHBondContact O-N 3.47Å; A132-S134 VanDerWaalsContact O-N 3.14Å; S134-C136 PolarHBondContact O-N 2.83Å |
| 135 | K | 56.5 | Low | 49.9 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | | | trans | -69 | 114.4 | 171.8 | -74.3 | -177.9 | 178.2 | 177.7 | 0 | 108.7 | G133 G137 | G133-K135 PolarHBondContact O-N 3.07Å; K135-G137 PolarHBondContact O-N 3.01Å |
| 136 | C | 48.6 | Very low | 50.7 | Low | 96 Ų | 96 | 130.5 Ų | 130.5 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | trans | -66.2 | 79.4 | 162.4 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | S134 A138 | S134-C136 PolarHBondContact O-N 2.83Å; C136-A138 PolarHBondContact O-N 2.86Å |
| 137 | G | 50.3 | Low | 51.4 | Low | 54 Ų | 54 | 124.6 Ų | 124.6 | 56% | 0.557 | 73% | 0.73 | S | S | * | * | | | trans | -60.2 | 124.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K135 F139 | K135-G137 PolarHBondContact O-N 3.01Å; G137-F139 PolarHBondContact O-N 3.45Å |
| 138 | A | 49.6 | Very low | 52.6 | Low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | trans | -60.1 | 128.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | C136 T140 | C136-A138 PolarHBondContact O-N 2.86Å; A138-T140 PolarHBondContact O-N 3.07Å |
| 139 | F | 55.1 | Low | 54.1 | Low | 210 Ų | 210 | 121.2 Ų | 121.2 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | | | trans | -68.4 | 77.3 | 175.2 | -62.6 | -80 | 0 | 0 | 0 | 109.9 | G137 N141 | G137-F139 PolarHBondContact O-N 3.45Å; F139-N141 PolarHBondContact O-N 2.82Å; F139-N141 VanDerWaalsContact O-N 3.07Å |
| 140 | T | 57 | Low | 55.3 | Low | 93 Ų | 93 | 119.6 Ų | 119.6 | 57% | 0.571 | 70% | 0.7 | S | S | * | * | | | trans | -67.1 | 106.7 | 171.1 | 50.2 | 0 | 0 | 0 | 0 | 107.9 | A138 K142 | A138-T140 PolarHBondContact O-N 3.07Å; T140-K142 PolarHBondContact O-N 3.47Å |
| 141 | N | 56.4 | Low | 57.1 | Low | 151 Ų | 151 | 119.6 Ų | 119.6 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 83.4 | 174.4 | -170.2 | -21.1 | 0 | 0 | 0 | 109.5 | F139 | F139-N141 PolarHBondContact O-N 2.82Å; F139-N141 VanDerWaalsContact O-N 3.07Å |
| 142 | K | 57.9 | Low | 58.8 | Low | 184 Ų | 184 | 119.6 Ų | 119.6 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | -20.5 | -179.6 | -71.6 | -163.5 | 172.1 | -169.8 | 0 | 111.9 | T140 R144 | T140-K142 PolarHBondContact O-N 3.47Å; K142-R144 PolarHBondContact O-N 3.5Å |
| 143 | D | 57 | Low | 60.2 | Low | 138 Ų | 138 | 117.5 Ų | 117.5 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -69.9 | 96.8 | 165.6 | -73.4 | -64.1 | 0 | 0 | 0 | 110.2 | | |
| 144 | R | 59.8 | Low | 61.4 | Low | 219 Ų | 219 | 119.5 Ų | 119.5 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | | | trans | 58.5 | 95 | 162.9 | -51.8 | 179.5 | -170.5 | -164.6 | -0.7 | 114.6 | K142 A146 | K142-R144 PolarHBondContact O-N 3.5Å; R144-A146 PolarHBondContact O-N 3.45Å |
| 145 | Q | 57.8 | Low | 62.1 | Low | 192 Ų | 192 | 120.5 Ų | 120.5 | 90% | 0.897 | 63% | 0.633 | S | S | * | * | | | trans | -58.9 | 97.6 | 134.7 | -76.1 | -174.7 | -38.5 | 0 | 0 | 106.5 | S147 | Q145-S147 PolarHBondContact O-N 3.06Š|
| 146 | A | 64.1 | Low | 62.4 | Low | 70 Ų | 70 | 116.7 Ų | 116.7 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | | | trans | -61.6 | 129.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | R144 D150 | R144-A146 PolarHBondContact O-N 3.45Å; A146-D150 WeakPolarHBondContact CA-OD2 3.39Å |
| 147 | S | 68.2 | Low | 63 | Low | 49 Ų | 49 | 119.6 Ų | 119.6 | 34% | 0.343 | 63% | 0.626 | S | S | . | * | | | trans | -59.6 | 145.3 | 174.4 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | Q145 D149 D150 | Q145-S147 PolarHBondContact O-N 3.06Å; S147-D149 PolarHBondContact O-N 2.86Å; S147-D149 PolarHBondContact OG-N 3.39Å; S147-D149 PolarHBondContact OG-OD2 3.07Å; S147-D150 VanDerWaalsContact CB-OD1 3.24Å; S147-D150 WeakPolarHBondContact CB-OD1 3.38Å; S147-D150 VanDerWaalsContact N-CG 3.27Å; S147-D150 PolarHBondContact N-OD2 3.23Å; S147-D150 PolarHBondContact O-N 3.06Å |
| 148 | P | 68.7 | Low | 63.3 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 69% | 0.688 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -11.9 | 166.6 | 25 | -35.8 | 0 | 0 | 0 | 113.6 | W151 | P148-W151 PolarHBondContact O-NE1 3.38Š|
| 149 | D | 74.8 | Confident | 63.6 | Low | 93 Ų | 93 | 120.5 Ų | 120.5 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | -10 | 176.1 | -47.8 | -63.7 | 0 | 0 | 0 | 114.4 | S147 W151 I152 S153 | S147-D149 PolarHBondContact O-N 2.86Å; S147-D149 PolarHBondContact OG-N 3.39Å; S147-D149 PolarHBondContact OG-OD2 3.07Å; D149-W151 PolarHBondContact O-N 2.94Å; D149-I152 WeakPolarHBondContact O-CA 3.31Å; D149-I152 VanDerWaalsContact O-CB 3.31Å; D149-I152 WeakPolarHBondContact O-CB 3.47Å; D149-I152 PolarHBondContact O-N 3.36Å; D149-S153 PolarHBondContact O-N 2.99Å |
| 150 | D | 73 | Confident | 63.5 | Low | 67 Ų | 67 | 119.4 Ų | 119.4 | 36% | 0.358 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.1 | -31.2 | -173.7 | -78.2 | -9.2 | 0 | 0 | 0 | 112.5 | A146 S147 I152 S153 H154 | A146-D150 WeakPolarHBondContact CA-OD2 3.39Å; S147-D150 VanDerWaalsContact CB-OD1 3.24Å; S147-D150 WeakPolarHBondContact CB-OD1 3.38Å; S147-D150 VanDerWaalsContact N-CG 3.27Å; S147-D150 PolarHBondContact N-OD2 3.23Å; S147-D150 PolarHBondContact O-N 3.06Å; D150-I152 VanDerWaalsContact C-N 3.26Å; D150-I152 PolarHBondContact O-N 3.48Å; D150-S153 WeakPolarHBondContact O-CB 3.24Å; D150-S153 PolarHBondContact O-N 2.82Å; D150-H154 PolarHBondContact O-CD2 3.14Å; D150-H154 VanDerWaalsContact O-CD2 3.3Å; D150-H154 PolarHBondContact O-N 3.18Å |
| 151 | W | 79.5 | Confident | 63.4 | Low | 162 Ų | 162 | 119.8 Ų | 119.8 | 61% | 0.614 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.9 | -25.9 | 174.9 | 72.2 | -82 | 0 | 0 | 0 | 112.7 | P148 D149 M155 | P148-W151 PolarHBondContact O-NE1 3.38Å; D149-W151 PolarHBondContact O-N 2.94Å; W151-M155 HydrophobicContact CE3-CE 4.38Å; W151-M155 HydrophobicContact CE3-CG 4.41Å; W151-M155 HydrophobicContact CZ3-CE 4.08Å; W151-M155 WeakPolarHBondContact O-CG 3.39Å; W151-M155 PolarHBondContact O-N 3.19Å |
| 152 | I | 70.8 | Confident | 63.5 | Low | 68 Ų | 68 | 117.6 Ų | 117.6 | 35% | 0.349 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -76 | -40 | 176.6 | -49.4 | 178 | 0 | 0 | 0 | 109.7 | D149 D150 H154 M155 N156 | D149-I152 WeakPolarHBondContact O-CA 3.31Å; D149-I152 VanDerWaalsContact O-CB 3.31Å; D149-I152 WeakPolarHBondContact O-CB 3.47Å; D149-I152 PolarHBondContact O-N 3.36Å; D150-I152 VanDerWaalsContact C-N 3.26Å; D150-I152 PolarHBondContact O-N 3.48Å; I152-H154 VanDerWaalsContact C-N 3.28Å; I152-H154 PolarHBondContact O-N 3.29Å; I152-M155 WeakPolarHBondContact O-CB 3.21Å; I152-M155 PolarHBondContact O-N 3.25Å; I152-N156 PolarHBondContact O-N 3.23Å |
| 153 | S | 70.7 | Confident | 63.5 | Low | 60 Ų | 60 | 118.6 Ų | 118.6 | 42% | 0.42 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -54 | -45.1 | 173.6 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | D149 D150 M155 N156 E157 | D149-S153 PolarHBondContact O-N 2.99Å; D150-S153 WeakPolarHBondContact O-CB 3.24Å; D150-S153 PolarHBondContact O-N 2.82Å; S153-M155 VanDerWaalsContact C-N 3.32Å; S153-M155 PolarHBondContact O-N 3.23Å; S153-N156 PolarHBondContact O-N 2.74Å; S153-E157 PolarHBondContact O-N 3.21Å |
| 154 | H | 64.6 | Low | 64.1 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.7 | -23.7 | 177.1 | -62.7 | -37.7 | 0 | 0 | 0 | 114.4 | D150 I152 E157 S158 | D150-H154 PolarHBondContact O-CD2 3.14Å; D150-H154 VanDerWaalsContact O-CD2 3.3Å; D150-H154 PolarHBondContact O-N 3.18Å; I152-H154 VanDerWaalsContact C-N 3.28Å; I152-H154 PolarHBondContact O-N 3.29Å; H154-E157 IonicContact ND1-OE2 3.22Å; H154-S158 WeakPolarHBondContact O-CB 3.47Å; H154-S158 PolarHBondContact O-N 3.49Å; H154-S158 PolarHBondContact O-OG 2.98Å |
| 155 | M | 64.6 | Low | 64.7 | Low | 119 Ų | 119 | 111.5 Ų | 111.5 | 59% | 0.586 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.3 | -41.6 | 172.7 | -68.7 | -76.6 | -136.5 | 0 | 0 | 111.5 | W151 I152 S153 S158 | W151-M155 HydrophobicContact CE3-CE 4.38Å; W151-M155 HydrophobicContact CE3-CG 4.41Å; W151-M155 HydrophobicContact CZ3-CE 4.08Å; W151-M155 WeakPolarHBondContact O-CG 3.39Å; W151-M155 PolarHBondContact O-N 3.19Å; I152-M155 WeakPolarHBondContact O-CB 3.21Å; I152-M155 PolarHBondContact O-N 3.25Å; S153-M155 VanDerWaalsContact C-N 3.32Å; S153-M155 PolarHBondContact O-N 3.23Å; M155-S158 PolarHBondContact O-N 2.84Å; M155-S158 PolarHBondContact O-OG 2.81Å; M155-S158 VanDerWaalsContact O-OG 3.1Å |
| 156 | N | 63.1 | Low | 65.5 | Low | 116 Ų | 116 | 105.5 Ų | 105.5 | 62% | 0.62 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.3 | -38.2 | 179.8 | -73.3 | -14.2 | 0 | 0 | 0 | 112.5 | I152 S153 S158 S159 | I152-N156 PolarHBondContact O-N 3.23Å; S153-N156 PolarHBondContact O-N 2.74Å; N156-S158 VanDerWaalsContact C-N 3.27Å; N156-S158 PolarHBondContact O-N 3.02Å; N156-S159 WeakPolarHBondContact O-CB 3.43Å; N156-S159 PolarHBondContact O-OG 2.83Å |
| 157 | E | 61.1 | Low | 66.2 | Low | 157 Ų | 157 | 104.4 Ų | 104.4 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.8 | -28 | 174.7 | -69.3 | -178.7 | 149 | 0 | 0 | 112.9 | S153 H154 S159 | S153-E157 PolarHBondContact O-N 3.21Å; H154-E157 IonicContact ND1-OE2 3.22Å; E157-S159 PolarHBondContact O-N 2.95Å |
| 158 | S | 56.5 | Low | 66.7 | Low | 52 Ų | 52 | 106.9 Ų | 106.9 | 36% | 0.364 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | 36 | 178 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | H154 M155 N156 Q160 T161 | H154-S158 WeakPolarHBondContact O-CB 3.47Å; H154-S158 PolarHBondContact O-N 3.49Å; H154-S158 PolarHBondContact O-OG 2.98Å; M155-S158 PolarHBondContact O-N 2.84Å; M155-S158 PolarHBondContact O-OG 2.81Å; M155-S158 VanDerWaalsContact O-OG 3.1Å; N156-S158 VanDerWaalsContact C-N 3.27Å; N156-S158 PolarHBondContact O-N 3.02Å; S158-Q160 PolarHBondContact O-N 2.87Å; S158-T161 PolarHBondContact O-N 3.22Å |
| 159 | S | 54.2 | Low | 67.5 | Low | 102 Ų | 102 | 109 Ų | 109 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 33.9 | 175.3 | -73.5 | 0 | 0 | 0 | 0 | 115.2 | N156 E157 | N156-S159 WeakPolarHBondContact O-CB 3.43Å; N156-S159 PolarHBondContact O-OG 2.83Å; E157-S159 PolarHBondContact O-N 2.95Å |
| 160 | Q | 53.7 | Low | 67.6 | Low | 187 Ų | 187 | 108.3 Ų | 108.3 | 87% | 0.874 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.1 | 52.5 | 161.3 | -119.3 | 175.5 | 50.9 | 0 | 0 | 111.6 | S158 S162 | S158-Q160 PolarHBondContact O-N 2.87Å; Q160-S162 PolarHBondContact O-N 3.45Å |
| 161 | T | 55.7 | Low | 67.4 | Low | 102 Ų | 102 | 112 Ų | 112 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | | | trans | -69.8 | 70.2 | 166.4 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | S158 F163 | S158-T161 PolarHBondContact O-N 3.22Å; T161-F163 WeakPolarHBondContact O-CA 3.39Å; T161-F163 PolarHBondContact O-N 2.97Å |
| 162 | S | 57.7 | Low | 67 | Low | 105 Ų | 105 | 111.9 Ų | 111.9 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | | | trans | -41.9 | 110.3 | 173.8 | 179 | 0 | 0 | 0 | 0 | 110 | Q160 V164 | Q160-S162 PolarHBondContact O-N 3.45Å; S162-V164 WeakPolarHBondContact O-CG2 3.13Å; S162-V164 PolarHBondContact O-N 3.28Å |
| 163 | F | 58.9 | Low | 66.9 | Low | 205 Ų | 205 | 115 Ų | 115 | 90% | 0.899 | 62% | 0.616 | S | S | * | * | | | trans | -38.7 | 93.1 | -153.5 | -68.9 | -84.8 | 0 | 0 | 0 | 113.4 | T161 S165 | T161-F163 WeakPolarHBondContact O-CA 3.39Å; T161-F163 PolarHBondContact O-N 2.97Å; F163-S165 PolarHBondContact O-N 2.84Å |
| 164 | V | 69.1 | Low | 66.5 | Low | 121 Ų | 121 | 114.7 Ų | 114.7 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | | | trans | -67.1 | 104.8 | -173 | -180 | 0 | 0 | 0 | 0 | 107.3 | S162 P166 | S162-V164 WeakPolarHBondContact O-CG2 3.13Å; S162-V164 PolarHBondContact O-N 3.28Å; V164-P166 WeakPolarHBondContact O-CD 3.28Å |
| 165 | S | 71.5 | Confident | 66.4 | Low | 87 Ų | 87 | 113.7 Ų | 113.7 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | | | trans | -52 | 114.5 | -172.1 | -134.3 | 0 | 0 | 0 | 0 | 108.9 | F163 A167 R171 | F163-S165 PolarHBondContact O-N 2.84Å; S165-A167 PolarHBondContact O-N 2.83Å; S165-R171 VanDerWaalsContact C-NH2 3.25Å; S165-R171 PolarHBondContact OG-NH2 3Å |
| 166 | P | 75.8 | Confident | 66.2 | Low | 66 Ų | 66 | 112.7 Ų | 112.7 | 43% | 0.429 | 63% | 0.631 | S | S | . | * | | | trans | -58.8 | 141.5 | -164 | 18.8 | -31.9 | 0 | 0 | 0 | 110.8 | V164 L170 R171 | V164-P166 WeakPolarHBondContact O-CD 3.28Å; P166-L170 HydrophobicContact CB-CB 4.24Å; P166-L170 HydrophobicContact CB-CD1 4.11Å; P166-R171 PolarHBondContact O-NE 3.33Å; P166-R171 PolarHBondContact O-NH2 2.76Å |
| 167 | A | 77.3 | Confident | 66.1 | Low | 47 Ų | 47 | 113.6 Ų | 113.6 | 39% | 0.388 | 63% | 0.634 | S | S | . | * | | | trans | -50 | 144.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S165 W169 L170 R171 | S165-A167 PolarHBondContact O-N 2.83Å; A167-W169 PolarHBondContact O-N 3.04Å; A167-L170 WeakPolarHBondContact O-CB 3.31Å; A167-L170 PolarHBondContact O-N 3.16Å; A167-R171 PolarHBondContact O-N 3.43Å |
| 168 | S | 80 | Confident | 66.3 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -52.7 | -38.1 | -172 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | L170 R171 E172 | S168-L170 VanDerWaalsContact C-N 3.33Å; S168-L170 PolarHBondContact O-N 3.21Å; S168-R171 WeakPolarHBondContact O-CB 3.4Å; S168-R171 PolarHBondContact O-N 3.07Å; S168-E172 PolarHBondContact O-N 2.96Å |
| 169 | W | 84.5 | Confident | 66.9 | Low | 152 Ų | 152 | 117.5 Ų | 117.5 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.2 | -32.3 | 176.9 | 75.7 | -96.1 | 0 | 0 | 0 | 113.5 | A167 R171 E172 M173 | A167-W169 PolarHBondContact O-N 3.04Å; W169-R171 VanDerWaalsContact C-N 3.27Å; W169-R171 PolarHBondContact O-N 3.3Å; W169-E172 PolarHBondContact O-N 2.85Å; W169-M173 HydrophobicContact CE3-CB 4.26Å; W169-M173 HydrophobicContact CE3-CG 3.94Å; W169-M173 HydrophobicContact CZ3-CB 4.49Å; W169-M173 HydrophobicContact CZ3-CG 4.42Å; W169-M173 VanDerWaalsContact O-CB 3.31Å; W169-M173 WeakPolarHBondContact O-CB 3.37Å; W169-M173 VanDerWaalsContact O-CG 3.28Å; W169-M173 WeakPolarHBondContact O-CG 3.05Å; W169-M173 PolarHBondContact O-N 3.45Å |
| 170 | L | 76.4 | Confident | 68 | Low | 77 Ų | 77 | 119.1 Ų | 119.1 | 40% | 0.403 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.2 | -28.9 | 173.7 | -76.2 | 167.5 | 0 | 0 | 0 | 111.7 | P166 A167 S168 E172 A174 | P166-L170 HydrophobicContact CB-CB 4.24Å; P166-L170 HydrophobicContact CB-CD1 4.11Å; A167-L170 WeakPolarHBondContact O-CB 3.31Å; A167-L170 PolarHBondContact O-N 3.16Å; S168-L170 VanDerWaalsContact C-N 3.33Å; S168-L170 PolarHBondContact O-N 3.21Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.43Å; L170-A174 PolarHBondContact O-N 3.49Å |
| 171 | R | 70.4 | Confident | 68.9 | Low | 144 Ų | 144 | 115.9 Ų | 115.9 | 54% | 0.543 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.4 | -20 | 175.4 | -50.2 | -174.4 | -165.4 | -138.9 | 0.7 | 112.7 | S165 P166 A167 S168 W169 | S165-R171 VanDerWaalsContact C-NH2 3.25Å; S165-R171 PolarHBondContact OG-NH2 3Å; P166-R171 PolarHBondContact O-NE 3.33Å; P166-R171 PolarHBondContact O-NH2 2.76Å; A167-R171 PolarHBondContact O-N 3.43Å; S168-R171 WeakPolarHBondContact O-CB 3.4Å; S168-R171 PolarHBondContact O-N 3.07Å; W169-R171 VanDerWaalsContact C-N 3.27Å; W169-R171 PolarHBondContact O-N 3.3Å |
| 172 | E | 71.1 | Confident | 69.9 | Low | 160 Ų | 160 | 120.2 Ų | 120.2 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -89.1 | -35.9 | 174 | -171 | 169.4 | -164 | 0 | 0 | 111.4 | S168 W169 L170 | S168-E172 PolarHBondContact O-N 2.96Å; W169-E172 PolarHBondContact O-N 2.85Å; L170-E172 VanDerWaalsContact C-N 3.31Å |
| 173 | M | 67.7 | Low | 70.6 | Confident | 135 Ų | 135 | 123.3 Ų | 123.3 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87.8 | -2 | 177.8 | -64.9 | -64.2 | 168.2 | 0 | 0 | 114.4 | W169 P175 | W169-M173 HydrophobicContact CE3-CB 4.26Å; W169-M173 HydrophobicContact CE3-CG 3.94Å; W169-M173 HydrophobicContact CZ3-CB 4.49Å; W169-M173 HydrophobicContact CZ3-CG 4.42Å; W169-M173 VanDerWaalsContact O-CB 3.31Å; W169-M173 WeakPolarHBondContact O-CB 3.37Å; W169-M173 VanDerWaalsContact O-CG 3.28Å; W169-M173 WeakPolarHBondContact O-CG 3.05Å; W169-M173 PolarHBondContact O-N 3.45Å; M173-P175 WeakPolarHBondContact O-CD 3.31Å |
| 174 | A | 62.9 | Low | 71.2 | Confident | 52 Ų | 52 | 115 Ų | 115 | 43% | 0.43 | 63% | 0.632 | S | S | . | * | | | trans | -103.2 | 75.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | L170 A176 | L170-A174 WeakPolarHBondContact O-CB 3.43Å; L170-A174 PolarHBondContact O-N 3.49Å; A174-A176 PolarHBondContact O-N 2.98Å |
| 175 | P | 62.6 | Low | 71.1 | Confident | 101 Ų | 101 | 115 Ų | 115 | 66% | 0.656 | 63% | 0.628 | S | S | * | * | | | trans | -56.5 | 128.8 | 158.6 | 29.2 | -32.3 | 0 | 0 | 0 | 106.2 | M173 I177 | M173-P175 WeakPolarHBondContact O-CD 3.31Å; P175-I177 PolarHBondContact O-N 3.08Å |
| 176 | A | 60.3 | Low | 71 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 81% | 0.81 | 64% | 0.637 | S | S | * | * | | | trans | -46.6 | 107.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A174 H178 | A174-A176 PolarHBondContact O-N 2.98Å; A176-H178 VanDerWaalsContact C-N 3.26Å; A176-H178 PolarHBondContact O-N 3.2Å |
| 177 | I | 61.3 | Low | 70.2 | Confident | 135 Ų | 135 | 123.7 Ų | 123.7 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | | | trans | -74.1 | 90.3 | -176.6 | -46.5 | 178.9 | 0 | 0 | 0 | 105.9 | P175 I179 | P175-I177 PolarHBondContact O-N 3.08Å; I177-I179 HydrophobicContact CB-CG1 4.45Å; I177-I179 HydrophobicContact CG2-CD1 4.28Å; I177-I179 HydrophobicContact CG2-CG1 3.68Å; I177-I179 PolarHBondContact O-N 3.26Å |
| 178 | H | 65.5 | Low | 69.9 | Low | 151 Ų | 151 | 127.5 Ų | 127.5 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | | | trans | -73.3 | 74.9 | 175 | -163.3 | -115.6 | 0 | 0 | 0 | 108.1 | A176 E180 | A176-H178 VanDerWaalsContact C-N 3.26Å; A176-H178 PolarHBondContact O-N 3.2Å; H178-E180 WeakPolarHBondContact CE1-CG 3.35Å; H178-E180 IonicContact CE1-OE1 3.99Å; H178-E180 PolarHBondContact CE1-OE1 3.3Å; H178-E180 VanDerWaalsContact ND1-CG 3.31Å; H178-E180 WeakPolarHBondContact ND1-CG 3.48Å; H178-E180 IonicContact ND1-OE1 3.3Å; H178-E180 PolarHBondContact ND1-OE1 3.04Å; H178-E180 PolarHBondContact O-N 2.94Å |
| 179 | I | 69.1 | Low | 69.3 | Low | 141 Ų | 141 | 128.9 Ų | 128.9 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | | | trans | -68.6 | 91.9 | 163.7 | -52 | 179.4 | 0 | 0 | 0 | 104.8 | I177 | I177-I179 HydrophobicContact CB-CG1 4.45Å; I177-I179 HydrophobicContact CG2-CD1 4.28Å; I177-I179 HydrophobicContact CG2-CG1 3.68Å; I177-I179 PolarHBondContact O-N 3.26Å |
| 180 | E | 76.4 | Confident | 68.5 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | trans | -58.6 | 133.5 | 164.9 | -68.9 | -172.8 | 174.3 | 0 | 0 | 107.5 | H178 F182 | H178-E180 WeakPolarHBondContact CE1-CG 3.35Å; H178-E180 IonicContact CE1-OE1 3.99Å; H178-E180 PolarHBondContact CE1-OE1 3.3Å; H178-E180 VanDerWaalsContact ND1-CG 3.31Å; H178-E180 WeakPolarHBondContact ND1-CG 3.48Å; H178-E180 IonicContact ND1-OE1 3.3Å; H178-E180 PolarHBondContact ND1-OE1 3.04Å; H178-E180 PolarHBondContact O-N 2.94Å; E180-F182 PolarHBondContact O-N 3.45Å; E180-F182 VanDerWaalsContact O-N 3.16Å |
| 181 | P | 73.8 | Confident | 68 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | | | trans | -58.9 | 125.1 | 173.7 | 26.1 | -32.9 | 0 | 0 | 0 | 107.6 | D183 | P181-D183 PolarHBondContact O-N 3.44Š|
| 182 | F | 75.3 | Confident | 67.9 | Low | 194 Ų | 194 | 129.8 Ų | 129.8 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | | | trans | -67.7 | 101.6 | 176.3 | 177.6 | -119.4 | 0 | 0 | 0 | 108.3 | E180 G184 | E180-F182 PolarHBondContact O-N 3.45Å; E180-F182 VanDerWaalsContact O-N 3.16Å; F182-G184 PolarHBondContact O-N 3.42Å |
| 183 | D | 73.3 | Confident | 67.7 | Low | 169 Ų | 169 | 127.8 Ų | 127.8 | 90% | 0.904 | 71% | 0.714 | S | S | * | * | | | trans | -73 | 37.7 | 176.2 | -159.4 | 35.8 | 0 | 0 | 0 | 111.5 | P181 D185 | P181-D183 PolarHBondContact O-N 3.44Å; D183-D185 PolarHBondContact O-N 3.43Å |
| 184 | G | 71.2 | Confident | 67.7 | Low | 31 Ų | 31 | 127.3 Ų | 127.3 | 32% | 0.32 | 72% | 0.717 | S | S | . | * | | | trans | -86.1 | 92.2 | -179 | 0 | 0 | 0 | 0 | 0 | 110.5 | F182 P186 | F182-G184 PolarHBondContact O-N 3.42Å; G184-P186 WeakPolarHBondContact O-CD 3.12Å |
| 185 | D | 67.4 | Low | 68 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | | | trans | -53.5 | 119.1 | 163.3 | -164.7 | 9.8 | 0 | 0 | 0 | 109.3 | D183 L187 | D183-D185 PolarHBondContact O-N 3.43Å; D185-L187 HydrophobicContact CB-CD1 4.45Å; D185-L187 PolarHBondContact O-N 3.39Å; D185-L187 WeakPolarHBondContact OD2-CD1 3.4Å |
| 186 | P | 68.3 | Low | 68.5 | Low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | trans | -80.8 | 84.6 | -172.9 | 31.7 | -34.8 | 0 | 0 | 0 | 111.4 | G184 | G184-P186 WeakPolarHBondContact O-CD 3.12Š|
| 187 | L | 60.1 | Low | 69.2 | Low | 213 Ų | 213 | 139.2 Ų | 139.2 | 100% | 1.115 | 74% | 0.741 | S | S | * | * | | | trans | -118.9 | 0 | 179.9 | -61.2 | 173.6 | 0 | 0 | 0 | 112.8 | D185 | D185-L187 HydrophobicContact CB-CD1 4.45Å; D185-L187 PolarHBondContact O-N 3.39Å; D185-L187 WeakPolarHBondContact OD2-CD1 3.4Å |