| 1 | M | 46.3 | Very low | 42 | Very low | 249 Ų | 249 | 156.9 Ų | 156.9 | 100% | 1.227 | 86% | 0.859 | S | S | * | * | | | | 0 | 123.6 | 0 | -153.8 | 169 | -173 | 0 | 0 | 107.4 | | |
| 2 | R | 43.9 | Very low | 41.9 | Very low | 214 Ų | 214 | 154.3 Ų | 154.3 | 81% | 0.808 | 86% | 0.861 | S | S | * | * | | | trans | -50.9 | 153.6 | 166.5 | -86.1 | 178 | 176.1 | 96.6 | -1.1 | 109.8 | | |
| 3 | R | 46.6 | Very low | 41.7 | Very low | 217 Ų | 217 | 157.5 Ų | 157.5 | 82% | 0.819 | 86% | 0.864 | S | S | * | * | | | cis | -162.3 | 153.7 | 13 | -109.6 | 164.4 | -174.3 | 177.7 | 1.5 | 106.7 | | |
| 4 | Q | 46.1 | Very low | 41.2 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 87% | 0.874 | 86% | 0.862 | S | S | * | * | | | trans | -75.9 | 151.1 | 163.5 | -62.1 | 168.1 | 13.6 | 0 | 0 | 109.5 | | |
| 5 | E | 48.7 | Very low | 40.7 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 96% | 0.958 | 86% | 0.855 | S | S | * | * | | | trans | -146.3 | 129.1 | 144 | -108.2 | 169.8 | 154.5 | 0 | 0 | 109.3 | | |
| 6 | A | 41.9 | Very low | 40.8 | Very low | 81 Ų | 81 | 154.3 Ų | 154.3 | 67% | 0.669 | 86% | 0.86 | S | S | * | * | | | trans | -105.6 | 150.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 7 | L | 46.7 | Very low | 40.7 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 90% | 0.901 | 86% | 0.863 | S | S | * | * | | | trans | 21.8 | 129.8 | 152 | -71.5 | 101.7 | 0 | 0 | 0 | 119.3 | | |
| 8 | A | 37.3 | Very low | 40.7 | Very low | 92 Ų | 92 | 151.9 Ų | 151.9 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | | | | -166.1 | 117.6 | 115.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 9 | G | 34.8 | Very low | 40.6 | Very low | 76 Ų | 76 | 152.9 Ų | 152.9 | 78% | 0.784 | 85% | 0.853 | S | S | * | * | | | trans | -71.2 | 145.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 10 | T | 35 | Very low | 40.6 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | | | trans | -133.5 | 102.6 | 157.5 | 53 | 0 | 0 | 0 | 0 | 107.7 | | |
| 11 | A | 34.5 | Very low | 41 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | | | trans | -53.6 | 136.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 12 | S | 40.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | | | trans | -111.6 | 84.7 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 13 | E | 40.1 | Very low | 41.5 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | -104.3 | 121 | 155 | -82.7 | -164.5 | 100.7 | 0 | 0 | 108.3 | | |
| 14 | A | 34.1 | Very low | 41.3 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -170 | 117.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 15 | G | 33.4 | Very low | 41.5 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -77 | -178.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 16 | R | 43.2 | Very low | 41.5 | Very low | 247 Ų | 247 | 130 Ų | 130 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | | | | -145.1 | 117.1 | 125.7 | -69.2 | -156.7 | 178.5 | -157.3 | -1.7 | 109.1 | | |
| 17 | E | 38.8 | Very low | 41.4 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -44.5 | 132.5 | 149.4 | -165.1 | -167.5 | -179.5 | 0 | 0 | 109.4 | | |
| 18 | G | 40.2 | Very low | 41.6 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -162.7 | 72.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 19 | E | 38.7 | Very low | 41.9 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -17.3 | 127.5 | 167.8 | -162.3 | 169.9 | 86.1 | 0 | 0 | 115.5 | P21 | E19-P21 WeakPolarHBondContact O-CD 3.38Š|
| 20 | Q | 42.1 | Very low | 42.2 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 60% | 0.603 | 81% | 0.81 | S | S | * | * | | | trans | -57.2 | 129.8 | 165.7 | -171.8 | -149.6 | 9.9 | 0 | 0 | 110.8 | R22 | Q20-R22 VanDerWaalsContact CD-CG 3.43Å; Q20-R22 HydrophobicContact CG-CG 4.47Å |
| 21 | P | 47.5 | Very low | 43 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -94 | 105.4 | 152 | 2.3 | 18 | 0 | 0 | 0 | 107.7 | E19 | E19-P21 WeakPolarHBondContact O-CD 3.38Š|
| 22 | R | 51.2 | Low | 43.5 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | | | trans | -51.4 | 137.8 | 158.3 | -64.6 | 174.5 | 178.8 | 166.1 | -4.5 | 107.6 | Q20 A24 | Q20-R22 VanDerWaalsContact CD-CG 3.43Å; Q20-R22 HydrophobicContact CG-CG 4.47Å; R22-A24 PolarHBondContact O-N 3.2Å |
| 23 | P | 49 | Very low | 44.2 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -61.9 | 115.4 | 169.4 | 24.9 | -29.4 | 0 | 0 | 0 | 107.4 | G25 | P23-G25 PolarHBondContact O-N 2.97Š|
| 24 | A | 43.1 | Very low | 44.8 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -53.2 | 122.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | R22 L26 | R22-A24 PolarHBondContact O-N 3.2Å; A24-L26 VanDerWaalsContact C-N 3.31Å; A24-L26 PolarHBondContact O-N 3.2Å |
| 25 | G | 50.2 | Low | 45.3 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -59.1 | 99 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P23 G27 | P23-G25 PolarHBondContact O-N 2.97Å; G25-G27 PolarHBondContact O-N 2.87Å |
| 26 | L | 49.3 | Very low | 45.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -91.3 | 103.5 | 172 | -83 | 165.2 | 0 | 0 | 0 | 107.9 | A24 | A24-L26 VanDerWaalsContact C-N 3.31Å; A24-L26 PolarHBondContact O-N 3.2Å |
| 27 | G | 39.4 | Very low | 46.1 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | -62.1 | 143.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G25 | G25-G27 PolarHBondContact O-N 2.87Š|
| 28 | C | 50.3 | Low | 47 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | 17 | 124 | 138.7 | -66.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 29 | R | 45.2 | Very low | 47.3 | Very low | 227 Ų | 227 | 134 Ų | 134 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | 85.7 | 109.1 | 143.5 | -66.8 | -174.8 | -175.7 | -102.9 | 3 | 117.9 | | |
| 30 | T | 40.9 | Very low | 48.2 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -114.4 | 119.4 | 131.4 | -62.3 | 0 | 0 | 0 | 0 | 108 | | |
| 31 | R | 52 | Low | 49 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 70% | 0.698 | 79% | 0.789 | S | S | * | * | | | trans | -79.1 | 119.1 | 177.7 | 173 | -174.5 | 179.3 | -135.6 | -0.2 | 108.4 | E33 | R31-E33 HydrophobicContact CG-CG 4.38Å; R31-E33 IonicContact CZ-OE1 2.81Å; R31-E33 VanDerWaalsContact CZ-OE1 3.31Å; R31-E33 IonicContact NE-OE1 2.97Å; R31-E33 PolarHBondContact NE-OE1 3.47Å; R31-E33 VanDerWaalsContact NH2-CD 3.31Å; R31-E33 IonicContact NH2-OE1 3.96Å; R31-E33 PolarHBondContact NH2-OE1 3.05Å; R31-E33 IonicContact NH2-OE2 2.84Å |
| 32 | A | 44.8 | Very low | 49.6 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -120.3 | 117.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 33 | E | 55.6 | Low | 49.9 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | | | trans | -73.5 | 164.9 | -178.8 | -75 | -73.2 | 140.6 | 0 | 0 | 112.1 | R31 | R31-E33 HydrophobicContact CG-CG 4.38Å; R31-E33 IonicContact CZ-OE1 2.81Å; R31-E33 VanDerWaalsContact CZ-OE1 3.31Å; R31-E33 IonicContact NE-OE1 2.97Å; R31-E33 PolarHBondContact NE-OE1 3.47Å; R31-E33 VanDerWaalsContact NH2-CD 3.31Å; R31-E33 IonicContact NH2-OE1 3.96Å; R31-E33 PolarHBondContact NH2-OE1 3.05Å; R31-E33 IonicContact NH2-OE2 2.84Å |
| 34 | P | 52.5 | Low | 50.1 | Low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -95.1 | 150 | -159.6 | 36.6 | -31.2 | 0 | 0 | 0 | 113.1 | | |
| 35 | G | 43.2 | Very low | 51.3 | Low | 86 Ų | 86 | 145.3 Ų | 145.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | 164.1 | 98.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 36 | G | 47.4 | Very low | 52.2 | Low | 69 Ų | 69 | 147.3 Ų | 147.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -175.5 | 136 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 37 | P | 47.1 | Very low | 53 | Low | 130 Ų | 130 | 147.6 Ų | 147.6 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | trans | -66.1 | 139.9 | -170.4 | -16.1 | 29.7 | 0 | 0 | 0 | 113.4 | E39 | P37-E39 PolarHBondContact O-N 3.06Š|
| 38 | Q | 56.8 | Low | 54.6 | Low | 178 Ų | 178 | 151.7 Ų | 151.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -50.7 | 100.8 | 171.2 | 178 | 174.6 | -19.2 | 0 | 0 | 112.6 | | |
| 39 | E | 47.6 | Very low | 55.5 | Low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -100.9 | 93.7 | 157.7 | -74.6 | -155.9 | 130 | 0 | 0 | 109.9 | P37 R41 | P37-E39 PolarHBondContact O-N 3.06Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 2.85Å |
| 40 | S | 57 | Low | 56.5 | Low | 96 Ų | 96 | 148.1 Ų | 148.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -67.7 | 82.8 | 167.2 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 41 | R | 59 | Low | 58.3 | Low | 228 Ų | 228 | 146.8 Ų | 146.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -152.2 | 108 | 165 | -105.4 | 153.8 | -156.4 | -128.2 | 9 | 111.3 | E39 | E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 2.85Å |
| 42 | Q | 59.3 | Low | 59.2 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | 78.1 | 68.4 | 165.9 | -43.9 | -154.7 | 53.1 | 0 | 0 | 115.2 | W44 | Q42-W44 PolarHBondContact O-N 2.87Å; Q42-W44 VanDerWaalsContact O-N 3.11Å; Q42-W44 PolarHBondContact O-NE1 2.89Å |
| 43 | Q | 58.5 | Low | 60.4 | Low | 197 Ų | 197 | 141.8 Ų | 141.8 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | | | trans | -75.3 | 70.6 | 142.5 | -78.3 | 179.4 | 0.4 | 0 | 0 | 108 | K45 | Q43-K45 PolarHBondContact O-N 2.96Š|
| 44 | W | 53.6 | Low | 60.8 | Low | 212 Ų | 212 | 143.4 Ų | 143.4 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | | | trans | -43 | 100.5 | 146.1 | 37 | -0.1 | 0 | 0 | 0 | 108.7 | Q42 T46 | Q42-W44 PolarHBondContact O-N 2.87Å; Q42-W44 VanDerWaalsContact O-N 3.11Å; Q42-W44 PolarHBondContact O-NE1 2.89Å; W44-T46 VanDerWaalsContact C-N 3.27Å; W44-T46 PolarHBondContact O-N 3.11Å |
| 45 | K | 67.1 | Low | 61.3 | Low | 163 Ų | 163 | 146.6 Ų | 146.6 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | | | trans | -66.3 | 91.6 | 176.1 | -157.7 | 174.4 | 175.7 | -175.1 | 0 | 105.6 | Q43 F47 | Q43-K45 PolarHBondContact O-N 2.96Å; K45-F47 VanDerWaalsContact C-N 3.29Å; K45-F47 HydrophobicContact CB-CE2 4.41Å; K45-F47 HydrophobicContact CD-CE1 4.36Å; K45-F47 HydrophobicContact CD-CZ 4.06Å; K45-F47 HydrophobicContact CG-CZ 4.46Å; K45-F47 VanDerWaalsContact O-CD2 3.3Å; K45-F47 WeakPolarHBondContact O-CD2 3.3Å; K45-F47 PolarHBondContact O-N 3.01Å |
| 46 | T | 69.9 | Low | 62.4 | Low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | | | trans | -63.2 | 98.4 | 169.3 | 35.8 | 0 | 0 | 0 | 0 | 106.6 | W44 L48 | W44-T46 VanDerWaalsContact C-N 3.27Å; W44-T46 PolarHBondContact O-N 3.11Å; T46-L48 VanDerWaalsContact C-N 3.35Å; T46-L48 PolarHBondContact O-N 3.16Å |
| 47 | F | 64.9 | Low | 63.3 | Low | 171 Ų | 171 | 149.4 Ų | 149.4 | 75% | 0.75 | 71% | 0.706 | S | S | * | * | | | trans | -64.4 | 102.2 | 168.5 | -68.8 | -83.9 | 0 | 0 | 0 | 106.7 | K45 Y49 | K45-F47 VanDerWaalsContact C-N 3.29Å; K45-F47 HydrophobicContact CB-CE2 4.41Å; K45-F47 HydrophobicContact CD-CE1 4.36Å; K45-F47 HydrophobicContact CD-CZ 4.06Å; K45-F47 HydrophobicContact CG-CZ 4.46Å; K45-F47 VanDerWaalsContact O-CD2 3.3Å; K45-F47 WeakPolarHBondContact O-CD2 3.3Å; K45-F47 PolarHBondContact O-N 3.01Å; F47-Y49 PolarHBondContact O-N 2.97Å; F47-Y49 VanDerWaalsContact O-N 3.16Å |
| 48 | L | 74.6 | Confident | 64 | Low | 153 Ų | 153 | 149 Ų | 149 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | | | trans | -69.1 | 107.9 | 166.9 | -169.5 | 68.1 | 0 | 0 | 0 | 106.1 | T46 C50 | T46-L48 VanDerWaalsContact C-N 3.35Å; T46-L48 PolarHBondContact O-N 3.16Å; L48-C50 PolarHBondContact O-N 2.81Å |
| 49 | Y | 67.9 | Low | 64.3 | Low | 177 Ų | 177 | 144.1 Ų | 144.1 | 69% | 0.694 | 68% | 0.675 | S | S | * | * | | | trans | -69.2 | 102 | 173.4 | -178.1 | -98.9 | 0 | 0 | 0 | 108 | F47 P52 | F47-Y49 PolarHBondContact O-N 2.97Å; F47-Y49 VanDerWaalsContact O-N 3.16Å; Y49-P52 WeakPolarHBondContact OH-CD 3.34Å |
| 50 | C | 67.6 | Low | 64.9 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | | | trans | -77.7 | 120 | 165.4 | -60.8 | 0 | 0 | 0 | 0 | 107 | L48 | L48-C50 PolarHBondContact O-N 2.81Š|
| 51 | E | 77.1 | Confident | 65 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 56% | 0.561 | 66% | 0.66 | S | S | * | * | | | trans | -43.6 | 128.6 | 168.5 | 176.6 | 67.8 | -161.5 | 0 | 0 | 108.2 | H53 K57 | E51-H53 PolarHBondContact O-N 2.84Å; E51-H53 VanDerWaalsContact O-N 3.13Å; E51-K57 IonicContact OE1-NZ 3.31Å; E51-K57 PolarHBondContact OE1-NZ 3.33Å |
| 52 | P | 72.4 | Confident | 65 | Low | 47 Ų | 47 | 137.5 Ų | 137.5 | 31% | 0.305 | 65% | 0.646 | S | S | . | * | | | trans | -51.4 | 126.2 | -174.6 | -25.9 | 32.1 | 0 | 0 | 0 | 110.2 | Y49 K54 | Y49-P52 WeakPolarHBondContact OH-CD 3.34Å; P52-K54 PolarHBondContact O-N 3.4Å |
| 53 | H | 69.1 | Low | 65.1 | Low | 131 Ų | 131 | 135.7 Ų | 135.7 | 61% | 0.606 | 64% | 0.638 | S | S | * | * | | | trans | -51 | 136.9 | -179.5 | -175.6 | -88.8 | 0 | 0 | 0 | 109.6 | E51 R55 I56 | E51-H53 PolarHBondContact O-N 2.84Å; E51-H53 VanDerWaalsContact O-N 3.13Å; H53-R55 WeakPolarHBondContact ND1-CB 3.43Å; H53-R55 PolarHBondContact ND1-N 3.17Å; H53-R55 PolarHBondContact O-N 3.13Å; H53-I56 HydrophobicContact CB-CD1 4.3Å; H53-I56 WeakPolarHBondContact O-CB 3.44Å; H53-I56 PolarHBondContact O-N 3.45Å |
| 54 | K | 64.3 | Low | 65 | Low | 167 Ų | 167 | 130.7 Ų | 130.7 | 73% | 0.726 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -46.9 | -38.2 | -171.2 | -63.4 | -177.1 | 178.3 | -175.8 | 0 | 113.6 | P52 I56 K57 E58 | P52-K54 PolarHBondContact O-N 3.4Å; K54-I56 VanDerWaalsContact C-N 3.33Å; K54-I56 PolarHBondContact O-N 3.16Å; K54-K57 WeakPolarHBondContact O-CB 3.47Å; K54-K57 PolarHBondContact O-N 2.93Å; K54-K57 VanDerWaalsContact O-N 3.16Å; K54-E58 PolarHBondContact O-N 3.45Å |
| 55 | R | 62.2 | Low | 65.1 | Low | 183 Ų | 183 | 123 Ų | 123 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.4 | -32.5 | 176.5 | -163.3 | 173.6 | 167.6 | 175.4 | -3.2 | 114.8 | H53 V59 | H53-R55 WeakPolarHBondContact ND1-CB 3.43Å; H53-R55 PolarHBondContact ND1-N 3.17Å; H53-R55 PolarHBondContact O-N 3.13Å; R55-V59 WeakPolarHBondContact O-CB 3.39Å; R55-V59 WeakPolarHBondContact O-CG2 3.3Å; R55-V59 PolarHBondContact O-N 3.07Å |
| 56 | I | 68 | Low | 64.8 | Low | 98 Ų | 98 | 119.4 Ų | 119.4 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -76.8 | -33.9 | 177.6 | -61.2 | 171.9 | 0 | 0 | 0 | 110.5 | H53 K54 L60 | H53-I56 HydrophobicContact CB-CD1 4.3Å; H53-I56 WeakPolarHBondContact O-CB 3.44Å; H53-I56 PolarHBondContact O-N 3.45Å; K54-I56 VanDerWaalsContact C-N 3.33Å; K54-I56 PolarHBondContact O-N 3.16Å; I56-L60 HydrophobicContact CG2-CD1 4.5Å; I56-L60 PolarHBondContact O-N 2.77Å |
| 57 | K | 65.9 | Low | 64.3 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -40.6 | 177 | -169.5 | 171.2 | -71.8 | -177.7 | 0 | 111.1 | E51 K54 E61 | E51-K57 IonicContact OE1-NZ 3.31Å; E51-K57 PolarHBondContact OE1-NZ 3.33Å; K54-K57 WeakPolarHBondContact O-CB 3.47Å; K54-K57 PolarHBondContact O-N 2.93Å; K54-K57 VanDerWaalsContact O-N 3.16Å; K57-E61 PolarHBondContact O-N 3.17Å |
| 58 | E | 62.1 | Low | 64 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.1 | -42.7 | 178 | -68.4 | 164.1 | -173 | 0 | 0 | 112.6 | K54 L60 E61 E62 | K54-E58 PolarHBondContact O-N 3.45Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 3.28Å; E58-E61 WeakPolarHBondContact O-CB 3.39Å; E58-E61 PolarHBondContact O-N 3.5Å; E58-E61 VanDerWaalsContact O-N 3.1Å; E58-E62 PolarHBondContact O-N 3.35Å |
| 59 | V | 61.3 | Low | 63.2 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -35.6 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 112 | R55 E61 E62 E63 | R55-V59 WeakPolarHBondContact O-CB 3.39Å; R55-V59 WeakPolarHBondContact O-CG2 3.3Å; R55-V59 PolarHBondContact O-N 3.07Å; V59-E61 VanDerWaalsContact C-N 3.32Å; V59-E61 PolarHBondContact O-N 3.1Å; V59-E62 PolarHBondContact O-N 3.35Å; V59-E63 HydrophobicContact CG1-CG 4.43Å; V59-E63 WeakPolarHBondContact O-CG 3.41Å; V59-E63 PolarHBondContact O-N 3.37Å |
| 60 | L | 60.8 | Low | 62.8 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -34.3 | 174.4 | -102.4 | 160.8 | 0 | 0 | 0 | 112.9 | I56 E58 L64 | I56-L60 HydrophobicContact CG2-CD1 4.5Å; I56-L60 PolarHBondContact O-N 2.77Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 3.28Å; L60-L64 WeakPolarHBondContact O-CB 3.35Å; L60-L64 WeakPolarHBondContact O-CD1 3.47Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.14Å; L60-L64 PolarHBondContact O-N 3.03Å |
| 61 | E | 59.7 | Low | 62.3 | Low | 144 Ų | 144 | 117.9 Ų | 117.9 | 67% | 0.673 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.6 | -39.8 | 177.4 | -171.4 | 170.4 | -161.2 | 0 | 0 | 111.2 | K57 E58 V59 L64 S65 | K57-E61 PolarHBondContact O-N 3.17Å; E58-E61 WeakPolarHBondContact O-CB 3.39Å; E58-E61 PolarHBondContact O-N 3.5Å; E58-E61 VanDerWaalsContact O-N 3.1Å; V59-E61 VanDerWaalsContact C-N 3.32Å; V59-E61 PolarHBondContact O-N 3.1Å; E61-L64 PolarHBondContact O-N 3.46Å; E61-S65 PolarHBondContact O-N 3Å |
| 62 | E | 59.5 | Low | 61.5 | Low | 122 Ų | 122 | 119.5 Ų | 119.5 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.4 | -43.1 | 176.7 | -167.4 | 176.5 | 175.9 | 0 | 0 | 112.4 | E58 V59 L64 S65 I66 | E58-E62 PolarHBondContact O-N 3.35Å; V59-E62 PolarHBondContact O-N 3.35Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.85Å; E62-S65 PolarHBondContact O-N 3.25Å; E62-S65 PolarHBondContact O-OG 3.06Å; E62-I66 WeakPolarHBondContact O-CD1 3.28Å; E62-I66 VanDerWaalsContact O-CG1 3.28Å; E62-I66 WeakPolarHBondContact O-CG1 3.43Å; E62-I66 PolarHBondContact O-N 3.18Å |
| 63 | E | 59.9 | Low | 61 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -29.4 | 176.8 | -68.9 | -70.4 | 101.8 | 0 | 0 | 112.4 | V59 | V59-E63 HydrophobicContact CG1-CG 4.43Å; V59-E63 WeakPolarHBondContact O-CG 3.41Å; V59-E63 PolarHBondContact O-N 3.37Å |
| 64 | L | 57.9 | Low | 61 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 48% | 0.482 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80.9 | -20.9 | 175.6 | -77.8 | 170.3 | 0 | 0 | 0 | 113.6 | L60 E61 E62 R68 | L60-L64 WeakPolarHBondContact O-CB 3.35Å; L60-L64 WeakPolarHBondContact O-CD1 3.47Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.14Å; L60-L64 PolarHBondContact O-N 3.03Å; E61-L64 PolarHBondContact O-N 3.46Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.85Å; L64-R68 PolarHBondContact O-NH1 3.34Å |
| 65 | S | 55.1 | Low | 60.7 | Low | 50 Ų | 50 | 122 Ų | 122 | 35% | 0.35 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -78.6 | -39.5 | 172.7 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | E61 E62 K67 R68 D69 | E61-S65 PolarHBondContact O-N 3Å; E62-S65 PolarHBondContact O-N 3.25Å; E62-S65 PolarHBondContact O-OG 3.06Å; S65-K67 PolarHBondContact O-N 3.42Å; S65-R68 PolarHBondContact O-N 2.93Å; S65-D69 PolarHBondContact O-N 3.27Å; S65-D69 VanDerWaalsContact O-N 3.14Å |
| 66 | I | 60.9 | Low | 60.7 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 46% | 0.456 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -56.2 | -38.4 | 176.7 | -66.3 | 162.7 | 0 | 0 | 0 | 111.7 | E62 R68 | E62-I66 WeakPolarHBondContact O-CD1 3.28Å; E62-I66 VanDerWaalsContact O-CG1 3.28Å; E62-I66 WeakPolarHBondContact O-CG1 3.43Å; E62-I66 PolarHBondContact O-N 3.18Å; I66-R68 VanDerWaalsContact C-N 3.31Å; I66-R68 PolarHBondContact O-N 3.2Å |
| 67 | K | 58.8 | Low | 60.4 | Low | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -20.5 | 177.1 | -70.7 | -74.1 | 177 | -171.8 | 0 | 114.5 | S65 | S65-K67 PolarHBondContact O-N 3.42Å |
| 68 | R | 59.8 | Low | 60.1 | Low | 165 Ų | 165 | 116 Ų | 116 | 62% | 0.623 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -90 | -35.1 | 179.6 | -72.9 | -174.3 | 176.6 | 94.8 | -7.7 | 112.1 | L64 S65 I66 E70 C71 | L64-R68 PolarHBondContact O-NH1 3.34Å; S65-R68 PolarHBondContact O-N 2.93Å; I66-R68 VanDerWaalsContact C-N 3.31Å; I66-R68 PolarHBondContact O-N 3.2Å; R68-E70 VanDerWaalsContact C-N 3.29Å; R68-E70 PolarHBondContact O-N 3.05Å; R68-C71 PolarHBondContact O-N 3.41Å |
| 69 | D | 57.2 | Low | 60 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.7 | -21.5 | -177.8 | -63.1 | -27.8 | 0 | 0 | 0 | 113.1 | S65 C71 | S65-D69 PolarHBondContact O-N 3.27Å; S65-D69 VanDerWaalsContact O-N 3.14Å; D69-C71 PolarHBondContact O-N 3.14Å |
| 70 | E | 59 | Low | 60.1 | Low | 157 Ų | 157 | 114.7 Ų | 114.7 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10 | 175 | -163.5 | 166.3 | -142.5 | 0 | 0 | 113.2 | R68 | R68-E70 VanDerWaalsContact C-N 3.29Å; R68-E70 PolarHBondContact O-N 3.05Å |
| 71 | C | 56.6 | Low | 60.4 | Low | 103 Ų | 103 | 114.9 Ų | 114.9 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 45.2 | -178.2 | -159.9 | 0 | 0 | 0 | 0 | 113.7 | R68 D69 | R68-C71 PolarHBondContact O-N 3.41Å; D69-C71 PolarHBondContact O-N 3.14Å |
| 72 | H | 60.3 | Low | 60.7 | Low | 153 Ų | 153 | 113 Ų | 113 | 71% | 0.708 | 60% | 0.6 | S | S | * | * | | | trans | -110.3 | 25.3 | 169.8 | -73.4 | -18.9 | 0 | 0 | 0 | 114 | K74 | H72-K74 PolarHBondContact O-N 3.17Š|
| 73 | V | 61.8 | Low | 61.1 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | | | trans | -74 | 97.6 | 164.1 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | S75 | V73-S75 PolarHBondContact O-N 3.4Š|
| 74 | K | 69.3 | Low | 61.8 | Low | 217 Ų | 217 | 108.1 Ų | 108.1 | 94% | 0.943 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -67.3 | 60.8 | 167.2 | -69.6 | 173.3 | 175 | 175.5 | 0 | 110.9 | H72 | H72-K74 PolarHBondContact O-N 3.17Š|
| 75 | S | 59.2 | Low | 62.3 | Low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -162.1 | 118.8 | 157.4 | 70.8 | 0 | 0 | 0 | 0 | 107.7 | V73 | V73-S75 PolarHBondContact O-N 3.4Š|
| 76 | P | 61.6 | Low | 62.8 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 47% | 0.468 | 59% | 0.591 | S | S | . | * | | | trans | -65.2 | 133.1 | 178.2 | 26.6 | -30.3 | 0 | 0 | 0 | 108.2 | T78 V79 | P76-T78 PolarHBondContact O-N 2.88Å; P76-V79 HydrophobicContact CG-CG2 3.89Å; P76-V79 PolarHBondContact O-N 2.8Å |
| 77 | P | 62.3 | Low | 63.1 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 66% | 0.662 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -46.3 | -25.6 | 170.1 | -27 | 32.8 | 0 | 0 | 0 | 112.6 | V79 A80 L81 | P77-V79 PolarHBondContact O-N 2.72Å; P77-A80 PolarHBondContact O-N 2.87Å; P77-L81 VanDerWaalsContact O-CG 3.27Å; P77-L81 WeakPolarHBondContact O-CG 3.37Å; P77-L81 PolarHBondContact O-N 3.24Å |
| 78 | T | 58.9 | Low | 63.4 | Low | 98 Ų | 98 | 113.3 Ų | 113.3 | 60% | 0.601 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -51.4 | -40.9 | 170.5 | -42.1 | 0 | 0 | 0 | 0 | 114.5 | P76 L81 D82 | P76-T78 PolarHBondContact O-N 2.88Å; T78-L81 PolarHBondContact O-N 3.4Å; T78-D82 WeakPolarHBondContact O-CB 3.27Å; T78-D82 PolarHBondContact O-N 3.3Å |
| 79 | V | 59.6 | Low | 63.7 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.5 | -37.4 | -179.8 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | P76 P77 G83 | P76-V79 HydrophobicContact CG-CG2 3.89Å; P76-V79 PolarHBondContact O-N 2.8Å; P77-V79 PolarHBondContact O-N 2.72Å; V79-G83 PolarHBondContact O-N 3.41Å |
| 80 | A | 63.4 | Low | 64 | Low | 65 Ų | 65 | 114.8 Ų | 114.8 | 54% | 0.537 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.9 | -40.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P77 G83 I84 | P77-A80 PolarHBondContact O-N 2.87Å; A80-G83 PolarHBondContact O-N 2.99Å; A80-I84 WeakPolarHBondContact O-CD1 3.21Å; A80-I84 VanDerWaalsContact O-CG1 3.28Å; A80-I84 WeakPolarHBondContact O-CG1 3.21Å; A80-I84 PolarHBondContact O-N 3.29Å; A80-I84 VanDerWaalsContact O-N 3.08Å |
| 81 | L | 66.9 | Low | 64.2 | Low | 112 Ų | 112 | 112.9 Ų | 112.9 | 59% | 0.586 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67 | -35.5 | 176.8 | -68.8 | 172.6 | 0 | 0 | 0 | 112.5 | P77 T78 I84 W85 | P77-L81 VanDerWaalsContact O-CG 3.27Å; P77-L81 WeakPolarHBondContact O-CG 3.37Å; P77-L81 PolarHBondContact O-N 3.24Å; T78-L81 PolarHBondContact O-N 3.4Å; L81-I84 PolarHBondContact O-N 2.89Å; L81-W85 WeakPolarHBondContact O-CB 3.28Å; L81-W85 PolarHBondContact O-N 3.02Å |
| 82 | D | 67.1 | Low | 64.5 | Low | 105 Ų | 105 | 113 Ų | 113 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.2 | -37.1 | 176.4 | -159.3 | 42.2 | 0 | 0 | 0 | 111.8 | T78 S86 | T78-D82 WeakPolarHBondContact O-CB 3.27Å; T78-D82 PolarHBondContact O-N 3.3Å; D82-S86 WeakPolarHBondContact O-CB 3.4Å; D82-S86 PolarHBondContact O-N 2.81Å; D82-S86 PolarHBondContact O-OG 2.96Å |
| 83 | G | 67.9 | Low | 64.5 | Low | 34 Ų | 34 | 112.8 Ų | 112.8 | 35% | 0.351 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.8 | -44.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | V79 A80 S86 I87 | V79-G83 PolarHBondContact O-N 3.41Å; A80-G83 PolarHBondContact O-N 2.99Å; G83-S86 PolarHBondContact O-N 3.4Å; G83-I87 WeakPolarHBondContact O-CD1 3.4Å; G83-I87 WeakPolarHBondContact O-CG1 3.32Å; G83-I87 PolarHBondContact O-N 3.08Å |
| 84 | I | 74.4 | Confident | 64.6 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 55% | 0.549 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -41.5 | 178.5 | -65.5 | 162.9 | 0 | 0 | 0 | 111.4 | A80 L81 S86 I87 R88 | A80-I84 WeakPolarHBondContact O-CD1 3.21Å; A80-I84 VanDerWaalsContact O-CG1 3.28Å; A80-I84 WeakPolarHBondContact O-CG1 3.21Å; A80-I84 PolarHBondContact O-N 3.29Å; A80-I84 VanDerWaalsContact O-N 3.08Å; L81-I84 PolarHBondContact O-N 2.89Å; I84-S86 VanDerWaalsContact C-N 3.32Å; I84-I87 PolarHBondContact O-N 3.18Å; I84-R88 PolarHBondContact O-N 3.43Å; I84-R88 VanDerWaalsContact O-N 3.16Å |
| 85 | W | 68.8 | Low | 63.9 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.4 | -37.1 | 176.2 | -171.5 | -111.3 | 0 | 0 | 0 | 111.8 | L81 | L81-W85 WeakPolarHBondContact O-CB 3.28Å; L81-W85 PolarHBondContact O-N 3.02Å |
| 86 | S | 64.6 | Low | 64 | Low | 46 Ų | 46 | 107 Ų | 107 | 32% | 0.322 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.1 | -42 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | D82 G83 I84 R88 R89 N90 | D82-S86 WeakPolarHBondContact O-CB 3.4Å; D82-S86 PolarHBondContact O-N 2.81Å; D82-S86 PolarHBondContact O-OG 2.96Å; G83-S86 PolarHBondContact O-N 3.4Å; I84-S86 VanDerWaalsContact C-N 3.32Å; S86-R88 VanDerWaalsContact C-N 3.33Å; S86-R88 PolarHBondContact O-N 2.93Å; S86-R89 PolarHBondContact O-N 2.84Å; S86-N90 WeakPolarHBondContact O-CB 3.47Å; S86-N90 PolarHBondContact O-N 3.16Å; S86-N90 PolarHBondContact O-ND2 3.37Å |
| 87 | I | 67.8 | Low | 63.6 | Low | 108 Ų | 108 | 111 Ų | 111 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.1 | -42.3 | 177.9 | -69 | 159.9 | 0 | 0 | 0 | 110.7 | G83 I84 R89 N90 L91 | G83-I87 WeakPolarHBondContact O-CD1 3.4Å; G83-I87 WeakPolarHBondContact O-CG1 3.32Å; G83-I87 PolarHBondContact O-N 3.08Å; I84-I87 PolarHBondContact O-N 3.18Å; I87-R89 PolarHBondContact O-N 3.34Å; I87-R89 VanDerWaalsContact O-N 3.1Å; I87-N90 PolarHBondContact O-N 3.12Å; I87-N90 VanDerWaalsContact O-N 3.12Å; I87-L91 PolarHBondContact O-N 3.1Å |
| 88 | R | 65.4 | Low | 63.5 | Low | 190 Ų | 190 | 112.1 Ų | 112.1 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.4 | -20.7 | -180 | -157.3 | 174.8 | 175.9 | -127.1 | -0.4 | 113.1 | I84 S86 | I84-R88 PolarHBondContact O-N 3.43Å; I84-R88 VanDerWaalsContact O-N 3.16Å; S86-R88 VanDerWaalsContact C-N 3.33Å; S86-R88 PolarHBondContact O-N 2.93Å |
| 89 | R | 66.1 | Low | 63.6 | Low | 185 Ų | 185 | 110.4 Ų | 110.4 | 70% | 0.698 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -104.4 | -9.6 | 175.6 | -63.6 | -147.1 | -69.7 | 102.9 | -5.9 | 115.2 | S86 I87 | S86-R89 PolarHBondContact O-N 2.84Å; I87-R89 PolarHBondContact O-N 3.34Å; I87-R89 VanDerWaalsContact O-N 3.1Å |
| 90 | N | 64.3 | Low | 63.5 | Low | 122 Ų | 122 | 113.9 Ų | 113.9 | 65% | 0.652 | 65% | 0.652 | S | S | * | * | | | trans | -110.6 | 14.3 | -179 | -69.9 | -56.9 | 0 | 0 | 0 | 113.7 | S86 I87 | S86-N90 WeakPolarHBondContact O-CB 3.47Å; S86-N90 PolarHBondContact O-N 3.16Å; S86-N90 PolarHBondContact O-ND2 3.37Å; I87-N90 PolarHBondContact O-N 3.12Å; I87-N90 VanDerWaalsContact O-N 3.12Å |
| 91 | L | 63 | Low | 63.2 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 61% | 0.607 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -67.4 | 127.9 | 165.6 | -64.6 | 176.1 | 0 | 0 | 0 | 108.1 | I87 V93 | I87-L91 PolarHBondContact O-N 3.1Å; L91-V93 VanDerWaalsContact C-N 3.31Å; L91-V93 PolarHBondContact O-N 2.9Å |
| 92 | P | 62.5 | Low | 62.7 | Low | 105 Ų | 105 | 118 Ų | 118 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | | | trans | -63.3 | 98.5 | 170.9 | 26.1 | -31.7 | 0 | 0 | 0 | 108 | G94 | P92-G94 PolarHBondContact O-N 2.8Š|
| 93 | V | 59.5 | Low | 62.3 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 91% | 0.909 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -66.7 | 89.7 | 162.4 | 167.2 | 0 | 0 | 0 | 0 | 105.6 | L91 | L91-V93 VanDerWaalsContact C-N 3.31Å; L91-V93 PolarHBondContact O-N 2.9Å |
| 94 | G | 64.4 | Low | 61.9 | Low | 79 Ų | 79 | 128.6 Ų | 128.6 | 81% | 0.814 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 104 | 81.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | P92 | P92-G94 PolarHBondContact O-N 2.8Š|
| 95 | G | 53.6 | Low | 61.3 | Low | 54 Ų | 54 | 129.2 Ų | 129.2 | 56% | 0.557 | 71% | 0.709 | S | S | * | * | | | trans | -161 | 60.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I97 | G95-I97 PolarHBondContact O-N 3.07Å; G95-I97 VanDerWaalsContact O-N 3.07Å |
| 96 | T | 62.9 | Low | 61.2 | Low | 144 Ų | 144 | 126.7 Ų | 126.7 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | | | trans | -58.8 | 107.6 | 166.6 | 44.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 97 | I | 52.9 | Low | 61.3 | Low | 156 Ų | 156 | 131.8 Ų | 131.8 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | | | trans | -115.9 | 95.7 | 151 | -58.3 | -174.4 | 0 | 0 | 0 | 106.5 | G95 G99 | G95-I97 PolarHBondContact O-N 3.07Å; G95-I97 VanDerWaalsContact O-N 3.07Å; I97-G99 PolarHBondContact O-N 3.15Å; I97-G99 VanDerWaalsContact O-N 3.15Å |
| 98 | S | 60.1 | Low | 61.2 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | | | trans | -63 | 104.2 | 157.9 | 60.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 99 | G | 61 | Low | 61.2 | Low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | trans | 178.7 | 69.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I97 | I97-G99 PolarHBondContact O-N 3.15Å; I97-G99 VanDerWaalsContact O-N 3.15Å |
| 100 | Q | 56.5 | Low | 61.2 | Low | 176 Ų | 176 | 127.9 Ų | 127.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | 149.9 | 74.5 | 142.6 | -167.6 | 172.7 | -90.2 | 0 | 0 | 108.1 | S102 | Q100-S102 PolarHBondContact O-N 2.88Š|
| 101 | Q | 57.1 | Low | 61.6 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | -63.9 | 93.2 | 152.4 | -78.3 | -169.4 | -32.1 | 0 | 0 | 106.2 | R103 | Q101-R103 PolarHBondContact O-N 3.07Å; Q101-R103 VanDerWaalsContact O-N 3.07Å |
| 102 | S | 57.1 | Low | 61.8 | Low | 69 Ų | 69 | 134.8 Ų | 134.8 | 48% | 0.483 | 78% | 0.775 | S | S | . | * | | | trans | -52.2 | 117.6 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 108 | Q100 N104 | Q100-S102 PolarHBondContact O-N 2.88Å; S102-N104 PolarHBondContact O-N 2.78Å; S102-N104 VanDerWaalsContact OG-CG 3.28Å; S102-N104 PolarHBondContact OG-ND2 2.97Å; S102-N104 PolarHBondContact OG-OD1 3.11Å |
| 103 | R | 57.7 | Low | 61.9 | Low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | -69.5 | 54.6 | 174.8 | -77.5 | -179.2 | 162.5 | -174.2 | -3.9 | 110.7 | Q101 S105 | Q101-R103 PolarHBondContact O-N 3.07Å; Q101-R103 VanDerWaalsContact O-N 3.07Å; R103-S105 PolarHBondContact O-N 3.07Å; R103-S105 VanDerWaalsContact O-N 3.11Å |
| 104 | N | 60.1 | Low | 62.4 | Low | 123 Ų | 123 | 136.6 Ų | 136.6 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | -85.6 | 72.5 | 166.9 | -65.2 | -27.1 | 0 | 0 | 0 | 107.6 | S102 S106 | S102-N104 PolarHBondContact O-N 2.78Å; S102-N104 VanDerWaalsContact OG-CG 3.28Å; S102-N104 PolarHBondContact OG-ND2 2.97Å; S102-N104 PolarHBondContact OG-OD1 3.11Å; N104-S106 PolarHBondContact O-N 3.43Å |
| 105 | S | 62.7 | Low | 62.6 | Low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -78.9 | 42.8 | 171.4 | 60 | 0 | 0 | 0 | 0 | 111.5 | R103 | R103-S105 PolarHBondContact O-N 3.07Å; R103-S105 VanDerWaalsContact O-N 3.11Å |
| 106 | S | 65.4 | Low | 63.3 | Low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | -117.7 | 21.4 | -175.4 | 66.4 | 0 | 0 | 0 | 0 | 113 | N104 | N104-S106 PolarHBondContact O-N 3.43Š|
| 107 | L | 68 | Low | 63 | Low | 152 Ų | 152 | 151.6 Ų | 151.6 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -84.3 | 125.1 | 160.3 | -66.4 | 177 | 0 | 0 | 0 | 107.3 | Q109 | L107-Q109 PolarHBondContact O-N 3.08Å; L107-Q109 VanDerWaalsContact O-N 3.08Å |
| 108 | P | 64.2 | Low | 62.9 | Low | 123 Ų | 123 | 153.9 Ų | 153.9 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 122 | 170.9 | 22.6 | -29.4 | 0 | 0 | 0 | 107.3 | A110 | P108-A110 PolarHBondContact O-N 3.17Å; P108-A110 VanDerWaalsContact O-N 3.17Å |
| 109 | Q | 66.4 | Low | 62.7 | Low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 127.5 | 175 | -80.3 | 178.5 | -9.7 | 0 | 0 | 108.3 | L107 K111 | L107-Q109 PolarHBondContact O-N 3.08Å; L107-Q109 VanDerWaalsContact O-N 3.08Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 3.15Å |
| 110 | A | 66.5 | Low | 62.4 | Low | 100 Ų | 100 | 157.4 Ų | 157.4 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -61 | 98.7 | 175 | 0 | 0 | 0 | 0 | 0 | 108.2 | P108 Y112 | P108-A110 PolarHBondContact O-N 3.17Å; P108-A110 VanDerWaalsContact O-N 3.17Å; A110-Y112 PolarHBondContact O-N 2.81Å; A110-Y112 VanDerWaalsContact O-N 3.15Å |
| 111 | K | 71.9 | Confident | 62.2 | Low | 165 Ų | 165 | 155.3 Ų | 155.3 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -67.7 | 114.3 | 171.9 | -69.5 | -176.5 | -178.3 | 179.8 | 0 | 106.7 | Q109 Y113 | Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 3.15Å; K111-Y113 HydrophobicContact CB-CD2 4.39Å; K111-Y113 HydrophobicContact CB-CE2 3.95Å; K111-Y113 WeakPolarHBondContact O-CD2 3.34Å; K111-Y113 PolarHBondContact O-N 3.02Å |
| 112 | Y | 66.9 | Low | 61.9 | Low | 218 Ų | 218 | 152 Ų | 152 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | -69.2 | 93.8 | 179.5 | -151.2 | -96.6 | 0 | 0 | 0 | 108.4 | A110 S114 | A110-Y112 PolarHBondContact O-N 2.81Å; A110-Y112 VanDerWaalsContact O-N 3.15Å; Y112-S114 PolarHBondContact O-N 3.16Å |
| 113 | Y | 64.4 | Low | 61.7 | Low | 193 Ų | 193 | 153.1 Ų | 153.1 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -79.1 | 115.9 | 167.8 | -72.6 | -83.1 | 0 | 0 | 0 | 108.1 | K111 R115 | K111-Y113 HydrophobicContact CB-CD2 4.39Å; K111-Y113 HydrophobicContact CB-CE2 3.95Å; K111-Y113 WeakPolarHBondContact O-CD2 3.34Å; K111-Y113 PolarHBondContact O-N 3.02Å; Y113-R115 PolarHBondContact O-N 3.21Å |
| 114 | S | 71.4 | Confident | 61.2 | Low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -57.1 | 120.7 | 172.3 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | Y112 I116 | Y112-S114 PolarHBondContact O-N 3.16Å; S114-I116 PolarHBondContact O-N 3.45Å |
| 115 | R | 68.8 | Low | 60.8 | Low | 240 Ų | 240 | 152.2 Ų | 152.2 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -66.2 | 103.3 | 169.7 | -83.6 | -179.3 | -94.6 | -121.1 | -2.4 | 108.2 | Y113 R117 | Y113-R115 PolarHBondContact O-N 3.21Å; R115-R117 PolarHBondContact O-N 3.29Å; R115-R117 VanDerWaalsContact O-N 3.16Å |
| 116 | I | 67.1 | Low | 60.2 | Low | 143 Ų | 143 | 154.4 Ų | 154.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -61.1 | 116 | 168 | -64.8 | 173.2 | 0 | 0 | 0 | 106.9 | S114 W118 | S114-I116 PolarHBondContact O-N 3.45Å; I116-W118 PolarHBondContact O-N 2.94Å |
| 117 | R | 56.1 | Low | 59.7 | Low | 209 Ų | 209 | 156.9 Ų | 156.9 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | | | trans | -74.1 | 109.4 | 172 | -177.4 | -174.5 | -65.4 | 160.4 | -0.2 | 107 | R115 T119 | R115-R117 PolarHBondContact O-N 3.29Å; R115-R117 VanDerWaalsContact O-N 3.16Å; R117-T119 HydrophobicContact CG-CG2 3.98Å; R117-T119 PolarHBondContact O-N 2.83Å |
| 118 | W | 52.6 | Low | 58.9 | Low | 204 Ų | 204 | 158.7 Ų | 158.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -68.2 | 81.6 | 169.9 | -76.5 | 88.4 | 0 | 0 | 0 | 109.6 | I116 L121 | I116-W118 PolarHBondContact O-N 2.94Å; W118-L121 HydrophobicContact CE3-CD1 4.14Å; W118-L121 HydrophobicContact CH2-CD1 4.23Å; W118-L121 HydrophobicContact CZ3-CB 4.41Å; W118-L121 HydrophobicContact CZ3-CD1 3.43Å; W118-L121 VanDerWaalsContact CZ3-CD1 3.43Å |
| 119 | T | 55.2 | Low | 58 | Low | 98 Ų | 98 | 157.3 Ų | 157.3 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | trans | -138.1 | 66.3 | 165.7 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | R117 | R117-T119 HydrophobicContact CG-CG2 3.98Å; R117-T119 PolarHBondContact O-N 2.83Å |
| 120 | H | 53.8 | Low | 57.3 | Low | 162 Ų | 162 | 155.1 Ų | 155.1 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | | | trans | 178 | 80.7 | 148.2 | -111.8 | -79.5 | 0 | 0 | 0 | 108.8 | | |
| 121 | L | 52.3 | Low | 56.5 | Low | 132 Ų | 132 | 160 Ų | 160 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | -149.6 | 46.4 | 160.2 | -102 | 153.6 | 0 | 0 | 0 | 108.9 | W118 | W118-L121 HydrophobicContact CE3-CD1 4.14Å; W118-L121 HydrophobicContact CH2-CD1 4.23Å; W118-L121 HydrophobicContact CZ3-CB 4.41Å; W118-L121 HydrophobicContact CZ3-CD1 3.43Å; W118-L121 VanDerWaalsContact CZ3-CD1 3.43Å |
| 122 | S | 51.8 | Low | 55.4 | Low | 127 Ų | 127 | 162.3 Ų | 162.3 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | -110 | 20.5 | 163 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 123 | T | 53 | Low | 54.9 | Low | 92 Ų | 92 | 159.5 Ų | 159.5 | 56% | 0.564 | 80% | 0.797 | S | S | * | * | | | trans | -141.1 | 111.1 | 167.1 | 6.7 | 0 | 0 | 0 | 0 | 103.3 | | |
| 124 | E | 45.8 | Very low | 54.4 | Low | 153 Ų | 153 | 157.7 Ų | 157.7 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | | | cis | -144.7 | 137.3 | 36 | -59.1 | -155 | 109.5 | 0 | 0 | 111.5 | E126 | E124-E126 PolarHBondContact O-N 3.27Š|
| 125 | M | 53 | Low | 53.4 | Low | 189 Ų | 189 | 160.9 Ų | 160.9 | 93% | 0.931 | 80% | 0.804 | S | S | * | * | | | trans | -69.2 | 101.1 | 147.4 | -66.7 | -177.3 | 64.6 | 0 | 0 | 106.6 | | |
| 126 | E | 49.3 | Very low | 52.5 | Low | 166 Ų | 166 | 156.2 Ų | 156.2 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -124.7 | 122.9 | 158.1 | -147 | -178.6 | 128 | 0 | 0 | 110.2 | E124 | E124-E126 PolarHBondContact O-N 3.27Š|
| 127 | L | 55.8 | Low | 51.6 | Low | 150 Ų | 150 | 157.1 Ų | 157.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -69.6 | 127.6 | -168.9 | -65.2 | 156 | 0 | 0 | 0 | 110.4 | | |
| 128 | H | 49.7 | Very low | 51.3 | Low | 190 Ų | 190 | 153.6 Ų | 153.6 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -133.9 | 97.6 | 152.1 | -142.6 | 78 | 0 | 0 | 0 | 109.9 | | |
| 129 | S | 46.1 | Very low | 51.2 | Low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | | | trans | -59.3 | 150.3 | 174.2 | -65 | 0 | 0 | 0 | 0 | 111.9 | | |
| 130 | P | 51.2 | Low | 50.9 | Low | 132 Ų | 132 | 154 Ų | 154 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | | | trans | -77 | 139.6 | 173.6 | 32.1 | -31.7 | 0 | 0 | 0 | 110.3 | | |
| 131 | K | 49.6 | Very low | 50.7 | Low | 201 Ų | 201 | 153.3 Ų | 153.3 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -120 | 110.1 | 169.3 | -150.9 | 164.7 | -173.7 | 171.7 | 0 | 108.6 | | |
| 132 | V | 50.5 | Low | 50.5 | Low | 214 Ų | 214 | 155.3 Ų | 155.3 | 100% | 1.297 | 84% | 0.839 | S | S | * | * | | | trans | 22.9 | 0 | 160.2 | -171.4 | 0 | 0 | 0 | 0 | 117.4 | | |