| 1 | M | 45.8 | Very low | 53.1 | Low | 241 Ų | 241 | 151.3 Ų | 151.3 | 100% | 1.187 | 84% | 0.844 | S | S | * | * | | | | 0 | 112.3 | 0 | -73.2 | 175.7 | 166.4 | 0 | 0 | 106.7 | | |
| 2 | L | 44 | Very low | 53.1 | Low | 178 Ų | 178 | 143.8 Ų | 143.8 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -91.8 | 108.4 | -175 | -83 | 148.1 | 0 | 0 | 0 | 108.4 | I4 | L2-I4 PolarHBondContact O-N 3.23Š|
| 3 | S | 48.4 | Very low | 53.7 | Low | 118 Ų | 118 | 149.2 Ų | 149.2 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -77.5 | 115.3 | 173.4 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 4 | I | 49.6 | Very low | 53.6 | Low | 158 Ų | 158 | 150.6 Ų | 150.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.6 | 174.2 | -62.2 | 169.8 | 0 | 0 | 0 | 107.6 | L2 | L2-I4 PolarHBondContact O-N 3.23Š|
| 5 | P | 52.8 | Low | 53.6 | Low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 139.1 | 178.8 | 26.7 | -32.6 | 0 | 0 | 0 | 110.8 | E7 | P5-E7 PolarHBondContact O-N 3.38Š|
| 6 | A | 58 | Low | 53.4 | Low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 7 | E | 56.9 | Low | 52.9 | Low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.3 | 177.3 | -156.4 | 171.5 | -167.6 | 0 | 0 | 110 | P5 T9 | P5-E7 PolarHBondContact O-N 3.38Å; E7-T9 PolarHBondContact O-N 3Å |
| 8 | P | 55.3 | Low | 53 | Low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 120.2 | -173.9 | 25.7 | -33.1 | 0 | 0 | 0 | 110.9 | M10 | P8-M10 PolarHBondContact O-N 3.5Š|
| 9 | T | 61.9 | Low | 53 | Low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -51.3 | 110.4 | 171.6 | -42 | 0 | 0 | 0 | 0 | 109.6 | E7 Q11 | E7-T9 PolarHBondContact O-N 3Å; T9-Q11 VanDerWaalsContact C-N 3.27Å; T9-Q11 PolarHBondContact O-N 3.49Å |
| 10 | M | 52.2 | Low | 53 | Low | 183 Ų | 183 | 144.6 Ų | 144.6 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | | | trans | -62.5 | 91.8 | 169.2 | -76.1 | -175.1 | 74.9 | 0 | 0 | 108.1 | P8 | P8-M10 PolarHBondContact O-N 3.5Š|
| 11 | Q | 59.7 | Low | 52.6 | Low | 156 Ų | 156 | 148 Ų | 148 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | | | trans | -68.3 | 129.9 | 171 | -71.2 | -153.6 | 0.4 | 0 | 0 | 108.8 | T9 Y13 | T9-Q11 VanDerWaalsContact C-N 3.27Å; T9-Q11 PolarHBondContact O-N 3.49Å; Q11-Y13 PolarHBondContact O-N 3.37Å |
| 12 | P | 52.7 | Low | 52.7 | Low | 61 Ų | 61 | 144.7 Ų | 144.7 | 40% | 0.396 | 77% | 0.766 | S | S | . | * | | | trans | -61.4 | 132.7 | -176.1 | 18.1 | -27.7 | 0 | 0 | 0 | 111.8 | W14 T15 | P12-W14 HydrophobicContact CB-CG 4.48Å; P12-W14 HydrophobicContact CB-CZ2 4.34Å; P12-W14 VanDerWaalsContact CB-NE1 3.3Å; P12-W14 HydrophobicContact CG-CZ2 4.24Å; P12-W14 PolarHBondContact O-N 2.99Å; P12-T15 PolarHBondContact O-N 3.33Å; P12-T15 PolarHBondContact O-OG1 3.44Å |
| 13 | Y | 60.9 | Low | 53 | Low | 214 Ų | 214 | 142.5 Ų | 142.5 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -0.8 | -171.8 | 56.8 | -93.2 | 0 | 0 | 0 | 116.3 | Q11 | Q11-Y13 PolarHBondContact O-N 3.37Š|
| 14 | W | 52.8 | Low | 53 | Low | 169 Ų | 169 | 145.8 Ų | 145.8 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -7.8 | -174 | 49.8 | -95 | 0 | 0 | 0 | 114.5 | P12 N16 C17 | P12-W14 HydrophobicContact CB-CG 4.48Å; P12-W14 HydrophobicContact CB-CZ2 4.34Å; P12-W14 VanDerWaalsContact CB-NE1 3.3Å; P12-W14 HydrophobicContact CG-CZ2 4.24Å; P12-W14 PolarHBondContact O-N 2.99Å; W14-N16 PolarHBondContact O-N 2.94Å; W14-C17 PolarHBondContact O-N 3.03Å |
| 15 | T | 53.2 | Low | 52.8 | Low | 90 Ų | 90 | 146.7 Ų | 146.7 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -13.8 | 171.3 | 44.3 | 0 | 0 | 0 | 0 | 113.4 | P12 | P12-T15 PolarHBondContact O-N 3.33Å; P12-T15 PolarHBondContact O-OG1 3.44Å |
| 16 | N | 50.9 | Low | 52.3 | Low | 145 Ų | 145 | 148.7 Ų | 148.7 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 15.9 | -179.2 | -86.5 | -38.5 | 0 | 0 | 0 | 115.1 | W14 P18 | W14-N16 PolarHBondContact O-N 2.94Å; N16-P18 WeakPolarHBondContact O-CD 3.16Å |
| 17 | C | 45 | Very low | 51.6 | Low | 104 Ų | 104 | 146.8 Ų | 146.8 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | -84.4 | 108.3 | 173.1 | -80.9 | 0 | 0 | 0 | 0 | 110.6 | W14 A19 | W14-C17 PolarHBondContact O-N 3.03Å; C17-A19 PolarHBondContact O-N 3.41Å |
| 18 | P | 53.2 | Low | 51 | Low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -65.4 | 129.6 | -175.9 | 25.6 | -33.6 | 0 | 0 | 0 | 111.5 | N16 R20 | N16-P18 WeakPolarHBondContact O-CD 3.16Å; P18-R20 PolarHBondContact O-N 2.63Å |
| 19 | A | 54.8 | Low | 50.3 | Low | 98 Ų | 98 | 148.9 Ų | 148.9 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -53.2 | 106.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | C17 R21 | C17-A19 PolarHBondContact O-N 3.41Å; A19-R21 VanDerWaalsContact C-N 3.35Å; A19-R21 PolarHBondContact O-N 2.88Å |
| 20 | R | 51.8 | Low | 49.3 | Very low | 230 Ų | 230 | 152.6 Ų | 152.6 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | | | trans | -66.4 | 97.5 | 164.8 | -83.2 | -174.4 | 176.3 | -179.6 | -0.3 | 107.9 | P18 M22 | P18-R20 PolarHBondContact O-N 2.63Å; R20-M22 PolarHBondContact O-N 3.27Å |
| 21 | R | 45.3 | Very low | 48.8 | Very low | 217 Ų | 217 | 153.2 Ų | 153.2 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | trans | -50.5 | 110.6 | 159.3 | -84.9 | -176.3 | -179.7 | 141.7 | -0.3 | 107.9 | A19 | A19-R21 VanDerWaalsContact C-N 3.35Å; A19-R21 PolarHBondContact O-N 2.88Å |
| 22 | M | 47.4 | Very low | 47.9 | Very low | 170 Ų | 170 | 155.5 Ų | 155.5 | 84% | 0.837 | 77% | 0.774 | S | S | * | * | | | trans | -103 | 91.8 | 154 | -74.1 | -146 | 172.5 | 0 | 0 | 106.6 | R20 K24 | R20-M22 PolarHBondContact O-N 3.27Å; M22-K24 PolarHBondContact O-N 3.44Å |
| 23 | D | 50.1 | Low | 47.3 | Very low | 132 Ų | 132 | 156 Ų | 156 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -55.4 | 126.7 | 166.2 | -72.3 | -51.6 | 0 | 0 | 0 | 108.5 | L25 | D23-L25 PolarHBondContact O-N 3.46Š|
| 24 | K | 47.9 | Very low | 46.3 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -52.4 | 110 | 175.3 | -67.8 | 171 | 177.7 | 177.4 | 0 | 108.6 | M22 I26 | M22-K24 PolarHBondContact O-N 3.44Å; K24-I26 HydrophobicContact CB-CG1 4.35Å; K24-I26 PolarHBondContact O-N 3.37Å |
| 25 | L | 46.5 | Very low | 45.8 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -67.3 | 79.9 | 159.7 | -83.4 | 157.4 | 0 | 0 | 0 | 108.3 | D23 G27 | D23-L25 PolarHBondContact O-N 3.46Å; L25-G27 PolarHBondContact O-N 3.18Å |
| 26 | I | 40.9 | Very low | 45 | Very low | 155 Ų | 155 | 157 Ų | 157 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | | | trans | -68.7 | 112 | 153.8 | -67.6 | 164.7 | 0 | 0 | 0 | 105.5 | K24 | K24-I26 HydrophobicContact CB-CG1 4.35Å; K24-I26 PolarHBondContact O-N 3.37Å |
| 27 | G | 43.4 | Very low | 44.7 | Very low | 59 Ų | 59 | 154.6 Ų | 154.6 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | | | trans | -160.3 | 71.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L25 | L25-G27 PolarHBondContact O-N 3.18Š|
| 28 | T | 45.6 | Very low | 44.2 | Very low | 138 Ų | 138 | 158 Ų | 158 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | | | trans | 44.8 | 119.4 | 142.5 | 57.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 29 | K | 40.9 | Very low | 43.6 | Very low | 201 Ų | 201 | 157.5 Ų | 157.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -51.2 | 138 | 157.2 | -79.4 | 174.2 | 173.5 | 173.2 | 0 | 112.7 | | |
| 30 | K | 39.9 | Very low | 43 | Very low | 200 Ų | 200 | 160.7 Ų | 160.7 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | | | trans | 68.3 | 100.9 | 154 | -64.6 | -178.4 | -179.4 | -178.5 | 0 | 118.1 | | |
| 31 | E | 41.6 | Very low | 42.5 | Very low | 197 Ų | 197 | 154.1 Ų | 154.1 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -144 | 133.4 | 133.6 | -140.5 | 171.7 | -168.1 | 0 | 0 | 110.3 | G33 | E31-G33 PolarHBondContact O-N 3.06Š|
| 32 | K | 41.6 | Very low | 42.8 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -76.1 | 111.1 | -179.7 | -69.8 | 170.1 | 174.1 | 177.8 | 0 | 108.1 | | |
| 33 | G | 40 | Very low | 43 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -128.3 | 102.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | E31 A35 | E31-G33 PolarHBondContact O-N 3.06Å; G33-A35 PolarHBondContact O-N 3.31Å |
| 34 | Y | 38.9 | Very low | 42.9 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -70.6 | 120.5 | 164.7 | -75 | -99.3 | 0 | 0 | 0 | 108.3 | | |
| 35 | A | 42.8 | Very low | 42.7 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -150.1 | 110.8 | 159 | 0 | 0 | 0 | 0 | 0 | 109.5 | G33 | G33-A35 PolarHBondContact O-N 3.31Š|
| 36 | N | 37.7 | Very low | 42.8 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -63.3 | 131 | 173 | -63.9 | -59.4 | 0 | 0 | 0 | 110.9 | | |
| 37 | A | 43.7 | Very low | 43.3 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -156.8 | 91.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 38 | H | 35.1 | Very low | 43.4 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | | 80.1 | 100 | 104.1 | -134.9 | -64 | 0 | 0 | 0 | 112.8 | N40 | H38-N40 PolarHBondContact O-N 2.81Š|
| 39 | V | 40.6 | Very low | 43.5 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | | | trans | 5.9 | 112.5 | 142.2 | -179.3 | 0 | 0 | 0 | 0 | 115 | | |
| 40 | N | 42.7 | Very low | 44 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -122.2 | 115.9 | 139.1 | -88.1 | -41 | 0 | 0 | 0 | 108.2 | H38 | H38-N40 PolarHBondContact O-N 2.81Š|
| 41 | T | 41 | Very low | 44.4 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 56% | 0.558 | 78% | 0.78 | S | S | * | * | | | trans | -64.9 | 143.8 | -168.3 | -31.4 | 0 | 0 | 0 | 0 | 112.9 | E43 | T41-E43 HydrophobicContact CG2-CG 4.21Å; T41-E43 PolarHBondContact O-N 3.43Å |
| 42 | P | 51.1 | Low | 44.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -74.4 | 27.9 | 178.2 | 29.2 | -35.1 | 0 | 0 | 0 | 116.1 | | |
| 43 | E | 51.1 | Low | 45.2 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -1.7 | -174.2 | -76 | -165.8 | 166.5 | 0 | 0 | 116.3 | T41 | T41-E43 HydrophobicContact CG2-CG 4.21Å; T41-E43 PolarHBondContact O-N 3.43Å |
| 44 | S | 47.7 | Very low | 45.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -14 | -174.7 | -176.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 45 | S | 44.6 | Very low | 45.8 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -83.8 | -8.4 | -173.7 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | K47 | S45-K47 VanDerWaalsContact C-N 3.34Å; S45-K47 PolarHBondContact O-N 3.35Å |
| 46 | A | 49.2 | Very low | 45.9 | Very low | 84 Ų | 84 | 146.8 Ų | 146.8 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -78.8 | -7.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 47 | K | 51.1 | Low | 46.2 | Very low | 190 Ų | 190 | 146.7 Ų | 146.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -99.6 | -8.2 | -172.9 | -67.8 | -172.7 | -177.6 | 179.1 | 0 | 116.2 | S45 | S45-K47 VanDerWaalsContact C-N 3.34Å; S45-K47 PolarHBondContact O-N 3.35Å |
| 48 | F | 45.1 | Very low | 46.1 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -86 | -16.1 | -179.2 | -153 | -98.1 | 0 | 0 | 0 | 114 | A50 | F48-A50 PolarHBondContact O-N 3.24Š|
| 49 | V | 48.3 | Very low | 46.6 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -76.7 | -4.7 | -178 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 50 | A | 50.5 | Low | 46.7 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -84.7 | -6.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F48 | F48-A50 PolarHBondContact O-N 3.24Š|
| 51 | N | 47.3 | Very low | 46.8 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -105.8 | 15.6 | -169.6 | -151.8 | 6.4 | 0 | 0 | 0 | 116.2 | | |
| 52 | I | 48.5 | Very low | 46.9 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -106.8 | 23.5 | 179.9 | -40.1 | -176.3 | 0 | 0 | 0 | 112.2 | | |
| 53 | R | 52.7 | Low | 46.5 | Very low | 243 Ų | 243 | 150.9 Ų | 150.9 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -107.8 | 5.7 | 178.5 | -81.7 | -166.4 | -179.7 | -161.8 | 1.3 | 116 | | |
| 54 | Q | 50.8 | Low | 46 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -116.2 | 13.3 | -170.1 | -141.3 | 179.6 | -6.9 | 0 | 0 | 118 | | |
| 55 | W | 40.6 | Very low | 45.9 | Very low | 258 Ų | 258 | 154.2 Ų | 154.2 | 98% | 0.977 | 79% | 0.787 | S | S | * | * | | | trans | -122.3 | 38.3 | 175.3 | -65.5 | 100.8 | 0 | 0 | 0 | 113.8 | | |
| 56 | Q | 45.5 | Very low | 45.8 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | | | trans | -112.1 | 128.8 | 160.4 | -91.3 | -173.6 | -3.2 | 0 | 0 | 110 | | |
| 57 | F | 42.5 | Very low | 45.5 | Very low | 165 Ų | 165 | 161.4 Ų | 161.4 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | | | trans | 88.3 | 90.7 | 166.6 | -64.4 | -75.2 | 0 | 0 | 0 | 118.7 | P59 | F57-P59 HydrophobicContact CD1-CB 4.16Å; F57-P59 HydrophobicContact CD1-CG 3.81Å |
| 58 | S | 41.3 | Very low | 45.5 | Very low | 128 Ų | 128 | 159.5 Ų | 159.5 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -122.8 | 86.1 | 134.9 | -67.5 | 0 | 0 | 0 | 0 | 108.8 | T60 | S58-T60 PolarHBondContact O-N 3.03Š|
| 59 | P | 47.4 | Very low | 45.7 | Very low | 90 Ų | 90 | 158.4 Ų | 158.4 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | | | trans | -96.5 | 78.8 | -176.9 | 38.4 | -32.7 | 0 | 0 | 0 | 110.4 | F57 | F57-P59 HydrophobicContact CD1-CB 4.16Å; F57-P59 HydrophobicContact CD1-CG 3.81Å |
| 60 | T | 42.2 | Very low | 45.8 | Very low | 140 Ų | 140 | 157.9 Ų | 157.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -173.3 | 89.1 | 163.6 | 28.1 | 0 | 0 | 0 | 0 | 112.4 | S58 | S58-T60 PolarHBondContact O-N 3.03Š|
| 61 | S | 44.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 162.4 Ų | 162.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -155.2 | 77.9 | 140.6 | -168.1 | 0 | 0 | 0 | 0 | 109 | F63 | S61-F63 PolarHBondContact O-N 2.65Š|
| 62 | K | 43 | Very low | 47 | Very low | 199 Ų | 199 | 161.5 Ų | 161.5 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -71.7 | 107.1 | 153.3 | -64.7 | -172.2 | 179.8 | -175.4 | 0 | 104.5 | | |
| 63 | F | 42.1 | Very low | 48 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 74% | 0.737 | 80% | 0.799 | S | S | * | * | | | trans | 175.1 | 123.4 | 139.5 | -110.5 | -121 | 0 | 0 | 0 | 110.4 | S61 | S61-F63 PolarHBondContact O-N 2.65Š|
| 64 | Q | 40.9 | Very low | 48.6 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | 63.1 | 91.3 | 148.1 | -61 | 178.6 | 10.8 | 0 | 0 | 117.4 | | |
| 65 | Q | 45.5 | Very low | 49.9 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | | -140.6 | 101.8 | 127.7 | -109.1 | 179.6 | -1.9 | 0 | 0 | 108.1 | | |
| 66 | D | 42.3 | Very low | 51.4 | Low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | 37.3 | 126.3 | 146.1 | -58.8 | -36.1 | 0 | 0 | 0 | 118.9 | L68 | D66-L68 PolarHBondContact O-N 2.81Š|
| 67 | Q | 43 | Very low | 52.9 | Low | 193 Ų | 193 | 139.6 Ų | 139.6 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | | | trans | -40.3 | 73 | 154.3 | -64.3 | 168 | 62.5 | 0 | 0 | 112 | N69 | Q67-N69 PolarHBondContact O-N 3.46Š|
| 68 | L | 51.1 | Low | 54.5 | Low | 149 Ų | 149 | 136.4 Ų | 136.4 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | | | trans | -53.8 | 116.5 | 148.4 | -82.4 | 165.3 | 0 | 0 | 0 | 103.3 | D66 V70 | D66-L68 PolarHBondContact O-N 2.81Å; L68-V70 HydrophobicContact CB-CG2 3.64Å; L68-V70 PolarHBondContact O-N 3Å |
| 69 | N | 48.9 | Very low | 56 | Low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | | | trans | -60.2 | 59.2 | 165.5 | -112.6 | -23.4 | 0 | 0 | 0 | 108.1 | Q67 K71 | Q67-N69 PolarHBondContact O-N 3.46Å; N69-K71 VanDerWaalsContact C-N 3.27Å; N69-K71 PolarHBondContact O-N 2.92Å |
| 70 | V | 51.1 | Low | 57.4 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | | | trans | -67.3 | 101.1 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 101.9 | L68 | L68-V70 HydrophobicContact CB-CG2 3.64Å; L68-V70 PolarHBondContact O-N 3Å |
| 71 | K | 60.1 | Low | 58.9 | Low | 182 Ų | 182 | 138 Ų | 138 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | | | trans | -39.6 | 133 | 166.6 | -86.7 | 178.6 | 173 | 177.1 | 0 | 106.9 | N69 | N69-K71 VanDerWaalsContact C-N 3.27Å; N69-K71 PolarHBondContact O-N 2.92Å |
| 72 | P | 62.2 | Low | 60.2 | Low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 137.1 | -177.9 | 20.2 | -31.5 | 0 | 0 | 0 | 108.4 | L74 | P72-L74 PolarHBondContact O-N 3.33Š|
| 73 | P | 70 | Confident | 61.5 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 137 | 177.2 | 22 | -32 | 0 | 0 | 0 | 108.5 | T75 | P73-T75 PolarHBondContact O-N 3.44Š|
| 74 | L | 66.5 | Low | 62.7 | Low | 92 Ų | 92 | 130.8 Ų | 130.8 | 48% | 0.482 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 134 | 179.9 | -82.6 | 87.1 | 0 | 0 | 0 | 108.6 | P72 E78 M79 L82 | P72-L74 PolarHBondContact O-N 3.33Å; L74-E78 HydrophobicContact CB-CB 4.34Å; L74-E78 HydrophobicContact CD2-CB 4.14Å; L74-M79 HydrophobicContact CB-CG 3.92Å; L74-M79 HydrophobicContact CD2-CG 4.5Å; L74-L82 HydrophobicContact CD2-CD1 3.55Å |
| 75 | T | 77.1 | Confident | 63.7 | Low | 67 Ų | 67 | 128.7 Ų | 128.7 | 41% | 0.411 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 151.7 | 175.7 | 62.2 | 0 | 0 | 0 | 0 | 109 | P73 E77 E78 M79 | P73-T75 PolarHBondContact O-N 3.44Å; T75-E77 PolarHBondContact O-N 3.3Å; T75-E77 VanDerWaalsContact O-N 3.09Å; T75-E78 PolarHBondContact N-OE2 2.94Å; T75-E78 PolarHBondContact O-N 3.32Å; T75-E78 WeakPolarHBondContact OG1-CG 3.38Å; T75-E78 PolarHBondContact OG1-N 3.41Å; T75-M79 PolarHBondContact O-N 3.23Å; T75-M79 VanDerWaalsContact O-N 3.07Å |
| 76 | P | 73.2 | Confident | 64.6 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -52.5 | -33.8 | 176.4 | -25.9 | 33.5 | 0 | 0 | 0 | 112.7 | M79 R80 | P76-M79 PolarHBondContact O-N 3.28Å; P76-R80 PolarHBondContact O-N 3.05Å |
| 77 | E | 76.3 | Confident | 65.4 | Low | 144 Ų | 144 | 125 Ų | 125 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -36.7 | 175.2 | -65.7 | -172.4 | 173.2 | 0 | 0 | 113.4 | T75 K81 | T75-E77 PolarHBondContact O-N 3.3Å; T75-E77 VanDerWaalsContact O-N 3.09Å; E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3Å |
| 78 | E | 75.4 | Confident | 66 | Low | 99 Ų | 99 | 121.1 Ų | 121.1 | 46% | 0.463 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.3 | -38.7 | 175.9 | -72.8 | 176.5 | 160.4 | 0 | 0 | 111.9 | L74 T75 K81 L82 | L74-E78 HydrophobicContact CB-CB 4.34Å; L74-E78 HydrophobicContact CD2-CB 4.14Å; T75-E78 PolarHBondContact N-OE2 2.94Å; T75-E78 PolarHBondContact O-N 3.32Å; T75-E78 WeakPolarHBondContact OG1-CG 3.38Å; T75-E78 PolarHBondContact OG1-N 3.41Å; E78-K81 PolarHBondContact O-N 3.23Å; E78-L82 PolarHBondContact O-N 3.25Å; E78-L82 VanDerWaalsContact O-N 3.09Å |
| 79 | M | 73.9 | Confident | 66.1 | Low | 97 Ų | 97 | 117.5 Ų | 117.5 | 48% | 0.478 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.6 | -44.7 | 174.4 | -70.6 | -165.8 | -62.9 | 0 | 0 | 111.5 | L74 T75 P76 K81 L82 E83 | L74-M79 HydrophobicContact CB-CG 3.92Å; L74-M79 HydrophobicContact CD2-CG 4.5Å; T75-M79 PolarHBondContact O-N 3.23Å; T75-M79 VanDerWaalsContact O-N 3.07Å; P76-M79 PolarHBondContact O-N 3.28Å; M79-K81 VanDerWaalsContact C-N 3.35Å; M79-K81 PolarHBondContact O-N 3.42Å; M79-L82 VanDerWaalsContact O-CB 3.31Å; M79-L82 WeakPolarHBondContact O-CB 3.4Å; M79-L82 PolarHBondContact O-N 3.11Å; M79-L82 VanDerWaalsContact O-N 3.11Å; M79-E83 PolarHBondContact O-N 3.41Å |
| 80 | R | 75.8 | Confident | 66.2 | Low | 165 Ų | 165 | 114.8 Ų | 114.8 | 62% | 0.623 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.8 | -41.9 | 177.3 | -176.6 | -179.9 | 166.2 | 164 | 4.2 | 112.4 | P76 L82 E83 E84 | P76-R80 PolarHBondContact O-N 3.05Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 3.09Å; R80-E83 PolarHBondContact O-N 3.37Å; R80-E84 IonicContact CZ-OE1 3.81Å; R80-E84 IonicContact NE-OE1 3.01Å; R80-E84 PolarHBondContact NE-OE1 3.07Å; R80-E84 IonicContact NH2-OE1 3.73Å; R80-E84 WeakPolarHBondContact O-CG 3.31Å; R80-E84 PolarHBondContact O-N 3.45Å |
| 81 | K | 74.1 | Confident | 66.1 | Low | 129 Ų | 129 | 116 Ų | 116 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.7 | -35.8 | 175.4 | -73.8 | 173.9 | -175.9 | 171.3 | 0 | 112.4 | E77 E78 M79 L85 | E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3Å; E78-K81 PolarHBondContact O-N 3.23Å; M79-K81 VanDerWaalsContact C-N 3.35Å; M79-K81 PolarHBondContact O-N 3.42Å; K81-L85 WeakPolarHBondContact O-CG 3.39Å; K81-L85 PolarHBondContact O-N 2.91Å |
| 82 | L | 72.4 | Confident | 65.6 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -42.3 | 174.9 | -104.7 | 146.1 | 0 | 0 | 0 | 111.8 | L74 E78 M79 R80 L85 Q86 | L74-L82 HydrophobicContact CD2-CD1 3.55Å; E78-L82 PolarHBondContact O-N 3.25Å; E78-L82 VanDerWaalsContact O-N 3.09Å; M79-L82 VanDerWaalsContact O-CB 3.31Å; M79-L82 WeakPolarHBondContact O-CB 3.4Å; M79-L82 PolarHBondContact O-N 3.11Å; M79-L82 VanDerWaalsContact O-N 3.11Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 3.09Å; L82-L85 PolarHBondContact O-N 3.4Å; L82-Q86 PolarHBondContact O-N 3.04Å |
| 83 | E | 69.7 | Low | 65 | Low | 134 Ų | 134 | 116.5 Ų | 116.5 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -43.3 | 175.5 | -69.6 | 176.2 | 174.2 | 0 | 0 | 112.2 | M79 R80 L85 Q86 L87 | M79-E83 PolarHBondContact O-N 3.41Å; R80-E83 PolarHBondContact O-N 3.37Å; E83-L85 PolarHBondContact O-N 3.09Å; E83-Q86 PolarHBondContact O-N 3.1Å; E83-L87 PolarHBondContact O-N 3.48Å; E83-L87 VanDerWaalsContact O-N 3.09Å |
| 84 | E | 66.8 | Low | 64 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 44% | 0.444 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -42.8 | 176.8 | -72.7 | 173.3 | -169.6 | 0 | 0 | 111.8 | R80 Q86 L87 L88 | R80-E84 IonicContact CZ-OE1 3.81Å; R80-E84 IonicContact NE-OE1 3.01Å; R80-E84 PolarHBondContact NE-OE1 3.07Å; R80-E84 IonicContact NH2-OE1 3.73Å; R80-E84 WeakPolarHBondContact O-CG 3.31Å; R80-E84 PolarHBondContact O-N 3.45Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-Q86 PolarHBondContact O-N 3.07Å; E84-L87 PolarHBondContact O-N 3.47Å; E84-L88 PolarHBondContact O-N 3.4Å |
| 85 | L | 62 | Low | 63.2 | Low | 118 Ų | 118 | 123.7 Ų | 123.7 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -36.8 | 176.3 | -76.2 | 171.9 | 0 | 0 | 0 | 112.5 | K81 L82 E83 L88 S89 | K81-L85 WeakPolarHBondContact O-CG 3.39Å; K81-L85 PolarHBondContact O-N 2.91Å; L82-L85 PolarHBondContact O-N 3.4Å; E83-L85 PolarHBondContact O-N 3.09Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-S89 PolarHBondContact O-N 2.85Å; L85-S89 VanDerWaalsContact O-N 3.14Å |
| 86 | Q | 64.7 | Low | 61.9 | Low | 127 Ų | 127 | 125.6 Ų | 125.6 | 59% | 0.593 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.6 | -38.9 | 177.8 | -171.5 | 168.5 | -0.6 | 0 | 0 | 111.7 | L82 E83 E84 S89 N90 | L82-Q86 PolarHBondContact O-N 3.04Å; E83-Q86 PolarHBondContact O-N 3.1Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-Q86 PolarHBondContact O-N 3.07Å; Q86-S89 PolarHBondContact O-N 3.33Å; Q86-S89 PolarHBondContact O-OG 3.41Å; Q86-N90 PolarHBondContact O-N 3.21Å |
| 87 | L | 59.3 | Low | 60.5 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.1 | -40.2 | 176.1 | -168.1 | 72.2 | 0 | 0 | 0 | 112.1 | E83 E84 S89 N90 | E83-L87 PolarHBondContact O-N 3.48Å; E83-L87 VanDerWaalsContact O-N 3.09Å; E84-L87 PolarHBondContact O-N 3.47Å; L87-S89 PolarHBondContact O-N 3.5Å; L87-N90 PolarHBondContact O-N 3.49Å |
| 88 | L | 55.5 | Low | 59.1 | Low | 111 Ų | 111 | 127.4 Ų | 127.4 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.7 | -36.6 | 176.6 | -71.2 | 172.2 | 0 | 0 | 0 | 112.4 | E84 L85 N90 M91 | E84-L88 PolarHBondContact O-N 3.4Å; L85-L88 PolarHBondContact O-N 3.29Å; L88-N90 PolarHBondContact O-N 3.26Å; L88-M91 PolarHBondContact O-N 3.27Å; L88-M91 VanDerWaalsContact O-N 3.12Å |
| 89 | S | 52.5 | Low | 57.9 | Low | 73 Ų | 73 | 126.4 Ų | 126.4 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.1 | -27.8 | 176.9 | 81.1 | 0 | 0 | 0 | 0 | 113.1 | L85 Q86 L87 M91 | L85-S89 PolarHBondContact O-N 2.85Å; L85-S89 VanDerWaalsContact O-N 3.14Å; Q86-S89 PolarHBondContact O-N 3.33Å; Q86-S89 PolarHBondContact O-OG 3.41Å; L87-S89 PolarHBondContact O-N 3.5Å; S89-M91 VanDerWaalsContact C-N 3.31Å; S89-M91 PolarHBondContact O-N 3.14Å |
| 90 | N | 51.2 | Low | 56.3 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -14.8 | 177.1 | -71.9 | -18 | 0 | 0 | 0 | 113.3 | Q86 L87 L88 | Q86-N90 PolarHBondContact O-N 3.21Å; L87-N90 PolarHBondContact O-N 3.49Å; L88-N90 PolarHBondContact O-N 3.26Å |
| 91 | M | 49.6 | Very low | 54.9 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -21.4 | -179.9 | -75.8 | -173.4 | 50.3 | 0 | 0 | 114 | L88 S89 V93 | L88-M91 PolarHBondContact O-N 3.27Å; L88-M91 VanDerWaalsContact O-N 3.12Å; S89-M91 VanDerWaalsContact C-N 3.31Å; S89-M91 PolarHBondContact O-N 3.14Å; M91-V93 VanDerWaalsContact C-N 3.28Å; M91-V93 PolarHBondContact O-N 3.49Å |
| 92 | E | 50.5 | Low | 53.8 | Low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14.7 | -168.8 | -160.5 | 169.9 | -168.3 | 0 | 0 | 113.8 | | |
| 93 | V | 49.6 | Very low | 52.8 | Low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 47.2 | -176 | -158.4 | 0 | 0 | 0 | 0 | 112.7 | M91 | M91-V93 VanDerWaalsContact C-N 3.28Å; M91-V93 PolarHBondContact O-N 3.49Å |
| 94 | I | 47.1 | Very low | 51.7 | Low | 122 Ų | 122 | 130.9 Ų | 130.9 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | | | trans | -116 | 64.1 | 161.6 | -54.4 | 179.5 | 0 | 0 | 0 | 108.5 | L96 | I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 HydrophobicContact CG2-CD1 3.98Å; I94-L96 HydrophobicContact CG2-CD2 4.17Å; I94-L96 HydrophobicContact CG2-CG 3.63Å; I94-L96 PolarHBondContact O-N 3.38Å |
| 95 | R | 50.6 | Low | 50.6 | Low | 237 Ų | 237 | 137.4 Ų | 137.4 | 89% | 0.894 | 68% | 0.678 | S | S | * | * | | | trans | -78.1 | 89.8 | 157 | -78.7 | -178.7 | 122 | -144.6 | 1.3 | 107.1 | T97 | R95-T97 PolarHBondContact O-N 3.06Š|
| 96 | L | 48.9 | Very low | 49.9 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 56% | 0.555 | 67% | 0.669 | S | S | * | * | | | trans | -71.5 | 93.9 | 169.7 | -69.8 | 168.2 | 0 | 0 | 0 | 108.6 | I94 F98 | I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 HydrophobicContact CG2-CD1 3.98Å; I94-L96 HydrophobicContact CG2-CD2 4.17Å; I94-L96 HydrophobicContact CG2-CG 3.63Å; I94-L96 PolarHBondContact O-N 3.38Å; L96-F98 PolarHBondContact O-N 3.23Å |
| 97 | T | 44.3 | Very low | 49.2 | Very low | 114 Ų | 114 | 136 Ų | 136 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | | | trans | -65.6 | 108.8 | 160.8 | -4.8 | 0 | 0 | 0 | 0 | 107.2 | R95 | R95-T97 PolarHBondContact O-N 3.06Š|
| 98 | F | 47.3 | Very low | 48.6 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | | | trans | -65.1 | 147.8 | 174.3 | -76 | -87.6 | 0 | 0 | 0 | 110.8 | L96 Y100 | L96-F98 PolarHBondContact O-N 3.23Å; F98-Y100 PolarHBondContact O-N 3.09Å; F98-Y100 VanDerWaalsContact O-N 3.11Å |
| 99 | P | 49.9 | Very low | 48.5 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 51% | 0.506 | 69% | 0.685 | S | S | . | * | | | trans | -66.1 | 115.1 | 177.9 | 24.6 | -31.6 | 0 | 0 | 0 | 112.7 | N101 Q151 | P99-N101 PolarHBondContact O-N 2.98Å; P99-Q151 VanDerWaalsContact CA-CD 3.46Å; P99-Q151 VanDerWaalsContact CB-NE2 3.27Å |
| 100 | Y | 40.6 | Very low | 48.4 | Very low | 200 Ų | 200 | 138 Ų | 138 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | | | trans | -43.7 | 110.8 | 168.1 | -176.8 | -99.6 | 0 | 0 | 0 | 110.2 | F98 P102 | F98-Y100 PolarHBondContact O-N 3.09Å; F98-Y100 VanDerWaalsContact O-N 3.11Å; Y100-P102 HydrophobicContact CE1-CB 4.09Å; Y100-P102 WeakPolarHBondContact O-CD 3.48Å |
| 101 | N | 45.8 | Very low | 47.8 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | | | trans | -105.1 | 105.7 | 179.3 | -166.6 | -9 | 0 | 0 | 0 | 108.4 | P99 D103 | P99-N101 PolarHBondContact O-N 2.98Å; N101-D103 PolarHBondContact O-N 3.34Å |
| 102 | P | 51.7 | Low | 47.8 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 59% | 0.591 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -8 | -172.6 | 28.1 | -34.7 | 0 | 0 | 0 | 114.3 | Y100 K104 | Y100-P102 HydrophobicContact CE1-CB 4.09Å; Y100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-K104 PolarHBondContact O-N 3.01Å |
| 103 | D | 51.9 | Low | 47.9 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -13.5 | -178.3 | -108 | -6.5 | 0 | 0 | 0 | 113.9 | N101 R105 | N101-D103 PolarHBondContact O-N 3.34Å; D103-R105 PolarHBondContact O-N 3.12Å |
| 104 | K | 46.3 | Very low | 48.1 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | | | trans | -101.8 | 83.3 | 172.6 | -63.9 | -164.4 | -178.2 | -175.2 | 0 | 109.4 | P102 S106 | P102-K104 PolarHBondContact O-N 3.01Å; K104-S106 PolarHBondContact O-N 3.29Å |
| 105 | R | 43 | Very low | 48.6 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 88% | 0.875 | 71% | 0.708 | S | S | * | * | | | trans | -60.4 | 72.1 | 149.3 | -68.1 | -178.2 | 171.1 | -174.5 | -3.9 | 108.8 | D103 | D103-R105 PolarHBondContact O-N 3.12Š|
| 106 | S | 47.3 | Very low | 48.8 | Very low | 61 Ų | 61 | 132.9 Ų | 132.9 | 43% | 0.427 | 70% | 0.698 | S | S | . | * | | | trans | -87 | 102.7 | 152.5 | 53.2 | 0 | 0 | 0 | 0 | 105.8 | K104 S108 E111 | K104-S106 PolarHBondContact O-N 3.29Å; S106-S108 PolarHBondContact O-N 2.97Å; S106-E111 PolarHBondContact OG-OE2 3.02Å |
| 107 | D | 50.7 | Low | 49 | Very low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | | | trans | -68.1 | 40.3 | 175.9 | -81 | -40.3 | 0 | 0 | 0 | 112.3 | | |
| 108 | S | 45.7 | Very low | 49.4 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 48% | 0.483 | 71% | 0.71 | S | S | . | * | | | trans | -129.2 | 102 | 179.6 | -87.8 | 0 | 0 | 0 | 0 | 109.6 | S106 N110 E111 | S106-S108 PolarHBondContact O-N 2.97Å; S108-N110 PolarHBondContact O-N 3.23Å; S108-E111 PolarHBondContact O-N 3.37Å |
| 109 | P | 54.2 | Low | 49.1 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 6.5 | 169.8 | 25.9 | -33.6 | 0 | 0 | 0 | 114 | | |
| 110 | N | 50.5 | Low | 48.9 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 24.9 | -176.4 | -83.3 | -14.7 | 0 | 0 | 0 | 113.3 | S108 | S108-N110 PolarHBondContact O-N 3.23Š|
| 111 | E | 39.3 | Very low | 49.3 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -78.2 | 135.5 | 167.6 | -89.1 | -163 | 155.6 | 0 | 0 | 112 | S106 S108 | S106-E111 PolarHBondContact OG-OE2 3.02Å; S108-E111 PolarHBondContact O-N 3.37Å |
| 112 | P | 48.6 | Very low | 49.3 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -78.6 | 141.3 | -157.7 | 31 | -35.7 | 0 | 0 | 0 | 112.3 | E114 | P112-E114 PolarHBondContact O-N 3.11Š|
| 113 | T | 52.7 | Low | 49.3 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -58 | 109.9 | 163.6 | -51.2 | 0 | 0 | 0 | 0 | 109.3 | T115 | T113-T115 PolarHBondContact O-N 3.04Š|
| 114 | E | 54.1 | Low | 48.9 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | -71.8 | 107.7 | 170.1 | -67.9 | -174.6 | 174.5 | 0 | 0 | 109.1 | P112 I116 | P112-E114 PolarHBondContact O-N 3.11Å; E114-I116 PolarHBondContact O-N 3.18Å |
| 115 | T | 56.9 | Low | 48.6 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -79.1 | 106.5 | 170.1 | 46 | 0 | 0 | 0 | 0 | 109.4 | T113 T117 | T113-T115 PolarHBondContact O-N 3.04Å; T115-T117 PolarHBondContact O-N 3.05Å |
| 116 | I | 55.1 | Low | 48.7 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | -82.1 | 102.7 | 169.8 | -58.4 | 169.7 | 0 | 0 | 0 | 107.9 | E114 L118 | E114-I116 PolarHBondContact O-N 3.18Å; I116-L118 HydrophobicContact CG2-CD2 4.4Å; I116-L118 PolarHBondContact O-N 3.05Å |
| 117 | T | 52.3 | Low | 48.3 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | trans | -72.4 | 114.5 | 169.6 | -51.5 | 0 | 0 | 0 | 0 | 108.8 | T115 N119 | T115-T117 PolarHBondContact O-N 3.05Å; T117-N119 PolarHBondContact O-N 3.36Å |
| 118 | L | 53.4 | Low | 48.4 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | -77.3 | 110.9 | 170.2 | -65.6 | 176.8 | 0 | 0 | 0 | 108.7 | I116 | I116-L118 HydrophobicContact CG2-CD2 4.4Å; I116-L118 PolarHBondContact O-N 3.05Å |
| 119 | N | 40.3 | Very low | 48.4 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | -63.9 | 139.7 | 176.9 | -65.5 | -26.3 | 0 | 0 | 0 | 110.8 | T117 T121 | T117-N119 PolarHBondContact O-N 3.36Å; N119-T121 PolarHBondContact O-N 3.39Å |
| 120 | E | 47.7 | Very low | 48 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -46.5 | 107.6 | 178.7 | -62.2 | 174.6 | 143.9 | 0 | 0 | 112.2 | R122 | E120-R122 PolarHBondContact O-N 3.21Š|
| 121 | T | 48.5 | Very low | 48 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -73.8 | 99.7 | 166.2 | 36.8 | 0 | 0 | 0 | 0 | 108.8 | N119 S123 | N119-T121 PolarHBondContact O-N 3.39Å; T121-S123 PolarHBondContact O-N 3.31Å |
| 122 | R | 44.6 | Very low | 48.3 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | trans | -41.5 | 103 | 167.1 | -171.2 | -178.5 | -171.8 | -173.1 | 2.3 | 110.6 | E120 | E120-R122 PolarHBondContact O-N 3.21Š|
| 123 | S | 52.5 | Low | 48.4 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 121.2 | 166.1 | -71.1 | 0 | 0 | 0 | 0 | 108.3 | T121 T125 | T121-S123 PolarHBondContact O-N 3.31Å; S123-T125 PolarHBondContact O-N 3.33Å |
| 124 | T | 44 | Very low | 48.3 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123.8 | 175.7 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | I126 | T124-I126 PolarHBondContact O-N 3.33Š|
| 125 | T | 39.6 | Very low | 47.8 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.5 | 168.5 | -26.5 | 0 | 0 | 0 | 0 | 109.2 | S123 | S123-T125 PolarHBondContact O-N 3.33Š|
| 126 | I | 44.5 | Very low | 47.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -101 | 119.5 | 157 | -59 | 169.3 | 0 | 0 | 0 | 104.9 | T124 | T124-I126 PolarHBondContact O-N 3.33Š|
| 127 | S | 38.4 | Very low | 47.3 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 57% | 0.566 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.6 | 177.2 | -78.6 | 0 | 0 | 0 | 0 | 110.7 | E129 | S127-E129 VanDerWaalsContact C-N 3.26Å; S127-E129 PolarHBondContact O-N 3.06Å; S127-E129 VanDerWaalsContact O-N 3.07Å |
| 128 | P | 53.4 | Low | 46.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 17.2 | -170.4 | 31 | -37.1 | 0 | 0 | 0 | 116.6 | | |
| 129 | E | 45 | Very low | 46.3 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -11.2 | -180 | -57.5 | -165.1 | 164.8 | 0 | 0 | 113.4 | S127 E131 | S127-E129 VanDerWaalsContact C-N 3.26Å; S127-E129 PolarHBondContact O-N 3.06Å; S127-E129 VanDerWaalsContact O-N 3.07Å; E129-E131 PolarHBondContact O-N 3.24Å |
| 130 | D | 46.9 | Very low | 46.4 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -88.6 | 31.9 | 173.1 | -64.5 | -49.8 | 0 | 0 | 0 | 111.7 | D132 | D130-D132 PolarHBondContact O-N 3.49Š|
| 131 | E | 49.2 | Very low | 46.3 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -78.6 | 12.9 | 177.8 | -135.2 | -176.2 | -171.4 | 0 | 0 | 113.1 | E129 | E129-E131 PolarHBondContact O-N 3.24Š|
| 132 | D | 47.2 | Very low | 46 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -102.2 | 105.5 | 174.7 | -84 | -35.4 | 0 | 0 | 0 | 110.4 | D130 | D130-D132 PolarHBondContact O-N 3.49Š|
| 133 | A | 51.2 | Low | 45.9 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 81.6 | 88.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 134 | D | 49.9 | Very low | 45.5 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | | 175.8 | 126.4 | 109.7 | -84 | -36.9 | 0 | 0 | 0 | 109.6 | | |
| 135 | D | 44.1 | Very low | 45.1 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | | | trans | -46.3 | 122.3 | -177.9 | -168.6 | -3.4 | 0 | 0 | 0 | 113.1 | F137 | D135-F137 PolarHBondContact O-N 2.81Š|
| 136 | P | 53.5 | Low | 45.1 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 10.6 | -168.9 | 26.9 | -35.8 | 0 | 0 | 0 | 116.4 | | |
| 137 | F | 46.3 | Very low | 44.7 | Very low | 174 Ų | 174 | 148 Ų | 148 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 16.3 | -175.3 | -79.1 | -77.4 | 0 | 0 | 0 | 116.3 | D135 | D135-F137 PolarHBondContact O-N 2.81Š|
| 138 | Q | 40.2 | Very low | 44.7 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -107.3 | 27.8 | 175.7 | -68.9 | -157.1 | 57.9 | 0 | 0 | 115.8 | N140 | Q138-N140 PolarHBondContact O-N 2.89Š|
| 139 | L | 46.6 | Very low | 43.9 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -91.7 | 98.7 | 163.5 | -118.2 | 153 | 0 | 0 | 0 | 110.1 | K141 | L139-K141 PolarHBondContact O-N 3.43Š|
| 140 | N | 41.3 | Very low | 43.5 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -43.5 | 121.4 | 175.9 | -74.6 | -43 | 0 | 0 | 0 | 111.8 | Q138 D142 | Q138-N140 PolarHBondContact O-N 2.89Å; N140-D142 VanDerWaalsContact C-N 3.31Å; N140-D142 PolarHBondContact O-N 2.78Å |
| 141 | K | 44.9 | Very low | 43 | Very low | 188 Ų | 188 | 149 Ų | 149 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -85.7 | 31.1 | -171.9 | -68.6 | -175.8 | 173.6 | -178 | 0 | 114.7 | L139 | L139-K141 PolarHBondContact O-N 3.43Š|
| 142 | D | 42.7 | Very low | 42.3 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -129.9 | 39.8 | -169.8 | -68.8 | -33.1 | 0 | 0 | 0 | 115.7 | N140 | N140-D142 VanDerWaalsContact C-N 3.31Å; N140-D142 PolarHBondContact O-N 2.78Å |
| 143 | E | 42.1 | Very low | 41.9 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -143.8 | 36.8 | 163.6 | -147 | 177.9 | -176.2 | 0 | 0 | 115.7 | | |
| 144 | I | 44.8 | Very low | 41.5 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -104.9 | 75.6 | 161.1 | -49 | 178.3 | 0 | 0 | 0 | 108.2 | L146 | I144-L146 HydrophobicContact CG2-CG 4.33Å; I144-L146 PolarHBondContact O-N 3.48Å; I144-L146 VanDerWaalsContact O-N 3.1Å |
| 145 | V | 36.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -67.4 | 97.1 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 146 | L | 39.7 | Very low | 41 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -84.6 | 111.2 | 168.9 | -83.6 | 158.7 | 0 | 0 | 0 | 109.4 | I144 | I144-L146 HydrophobicContact CG2-CG 4.33Å; I144-L146 PolarHBondContact O-N 3.48Å; I144-L146 VanDerWaalsContact O-N 3.1Å |
| 147 | Q | 34.6 | Very low | 40.3 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -64.7 | 141.9 | 174.1 | -74.3 | -178.4 | -11.8 | 0 | 0 | 111.8 | | |
| 148 | P | 38 | Very low | 40.4 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -83.1 | 125.5 | -176.1 | 31.1 | -33.2 | 0 | 0 | 0 | 113.1 | | |
| 149 | N | 37.4 | Very low | 40.8 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 58% | 0.578 | 81% | 0.814 | S | S | * | * | | | trans | -105.8 | 106.4 | 161 | -85.6 | -23.5 | 0 | 0 | 0 | 108.5 | | |
| 150 | Q | 37.7 | Very low | 40.5 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | -129.9 | 104.1 | 156.3 | -75.5 | -165.5 | -4.5 | 0 | 0 | 108.8 | | |
| 151 | Q | 35.4 | Very low | 40.4 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 51% | 0.505 | 81% | 0.813 | S | S | . | * | | | trans | -108.3 | 150.1 | 165.1 | -73.4 | -171.2 | -72.5 | 0 | 0 | 109.6 | P99 | P99-Q151 VanDerWaalsContact CA-CD 3.46Å; P99-Q151 VanDerWaalsContact CB-NE2 3.27Å |
| 152 | G | 34 | Very low | 40.2 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 123.3 | 132.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 153 | E | 38.5 | Very low | 40.1 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | cis | -166.1 | 150.4 | 4.8 | -78.7 | 169.9 | 120.8 | 0 | 0 | 105 | | |
| 154 | S | 43.1 | Very low | 39.9 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | | | trans | -167.5 | 103.5 | 145.2 | 60 | 0 | 0 | 0 | 0 | 111 | | |
| 155 | Q | 36.9 | Very low | 39.6 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | | | trans | -69.8 | 145.4 | 154.4 | -77.2 | 176.4 | -35.5 | 0 | 0 | 109.4 | | |
| 156 | I | 48 | Very low | 39.8 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | | | trans | -135.9 | 115.2 | 167.5 | -38.9 | 172.2 | 0 | 0 | 0 | 107 | | |
| 157 | D | 37.3 | Very low | 39.8 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -70.1 | 143 | 161.4 | -75.6 | -52.7 | 0 | 0 | 0 | 109.8 | | |
| 158 | D | 49.1 | Very low | 40.3 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | | -167.5 | 127.5 | 127.7 | -127.9 | -28.2 | 0 | 0 | 0 | 113.3 | | |
| 159 | S | 47.7 | Very low | 40.5 | Very low | 181 Ų | 181 | 148 Ų | 148 | 100% | 1.266 | 82% | 0.82 | S | S | * | * | | | trans | 36 | 0 | 144.7 | -55.4 | 0 | 0 | 0 | 0 | 121.5 | | |