| 1 | M | 41.5 | Very low | 51.7 | Low | 249 Ų | 249 | 141.8 Ų | 141.8 | 100% | 1.227 | 74% | 0.743 | S | S | * | * | | | | 0 | 117.6 | 0 | -67.4 | 172 | -168 | 0 | 0 | 106.8 | | |
| 2 | A | 54.1 | Low | 51.8 | Low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 143.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 3 | L | 53.8 | Low | 51.8 | Low | 163 Ų | 163 | 138.2 Ų | 138.2 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 135.1 | 177.2 | -68.7 | 168.2 | 0 | 0 | 0 | 109.7 | | |
| 4 | P | 51.2 | Low | 51.9 | Low | 87 Ų | 87 | 133.2 Ų | 133.2 | 57% | 0.565 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.4 | -179.9 | 24.9 | -31.2 | 0 | 0 | 0 | 111 | D8 | P4-D8 WeakPolarHBondContact CB-OD2 3.37Š|
| 5 | T | 51.5 | Low | 51.8 | Low | 106 Ų | 106 | 128.5 Ų | 128.5 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 149.6 | -179.7 | 36.3 | 0 | 0 | 0 | 0 | 111.4 | N7 D8 | T5-N7 PolarHBondContact O-N 2.77Å; T5-D8 PolarHBondContact O-N 3.23Å |
| 6 | F | 55.3 | Low | 51.5 | Low | 184 Ų | 184 | 132.3 Ų | 132.3 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.6 | -26.5 | -173.9 | -101.4 | -96.2 | 0 | 0 | 0 | 116.8 | D8 F9 | F6-D8 VanDerWaalsContact C-N 3.27Å; F6-D8 PolarHBondContact O-N 2.93Å; F6-F9 PolarHBondContact O-N 3.46Å |
| 7 | N | 53.4 | Low | 51.4 | Low | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -64.8 | -24.8 | 179.1 | -78.7 | 8.4 | 0 | 0 | 0 | 114.4 | T5 F9 | T5-N7 PolarHBondContact O-N 2.77Å; N7-F9 VanDerWaalsContact C-N 3.27Å; N7-F9 PolarHBondContact O-N 3.37Å |
| 8 | D | 53.3 | Low | 51.2 | Low | 99 Ų | 99 | 132.3 Ų | 132.3 | 53% | 0.529 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -73.5 | -21.8 | 178.1 | -66 | -40.6 | 0 | 0 | 0 | 112.3 | P4 T5 F6 | P4-D8 WeakPolarHBondContact CB-OD2 3.37Å; T5-D8 PolarHBondContact O-N 3.23Å; F6-D8 VanDerWaalsContact C-N 3.27Å; F6-D8 PolarHBondContact O-N 2.93Å |
| 9 | F | 50.7 | Low | 51.2 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -75 | -31.5 | 177.9 | -88.3 | -83.7 | 0 | 0 | 0 | 113.1 | F6 N7 L13 | F6-F9 PolarHBondContact O-N 3.46Å; N7-F9 VanDerWaalsContact C-N 3.27Å; N7-F9 PolarHBondContact O-N 3.37Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.33Å |
| 10 | E | 52.2 | Low | 51 | Low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -72.5 | -32.7 | 178.4 | -67 | -155.1 | 156.2 | 0 | 0 | 112 | L13 S14 | E10-L13 PolarHBondContact O-N 3.37Å; E10-S14 PolarHBondContact O-N 3.2Å |
| 11 | H | 52.1 | Low | 50.7 | Low | 149 Ų | 149 | 137.5 Ų | 137.5 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -68.7 | -36.3 | 177.2 | -111.4 | -70.4 | 0 | 0 | 0 | 112.8 | L13 S14 | H11-L13 VanDerWaalsContact C-N 3.35Å; H11-S14 PolarHBondContact O-N 3.42Å; H11-S14 PolarHBondContact O-OG 3.08Å |
| 12 | D | 52.7 | Low | 51 | Low | 124 Ų | 124 | 132.6 Ų | 132.6 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.5 | -28.9 | 178 | -167.5 | 48.8 | 0 | 0 | 0 | 112.8 | S14 | D12-S14 VanDerWaalsContact C-N 3.33Å |
| 13 | L | 51.8 | Low | 50.9 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 59% | 0.592 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73.3 | -26.4 | 174 | -67.7 | 174.5 | 0 | 0 | 0 | 112.5 | F9 E10 H11 G15 R16 | F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.33Å; E10-L13 PolarHBondContact O-N 3.37Å; H11-L13 VanDerWaalsContact C-N 3.35Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.34Å; L13-R16 PolarHBondContact O-N 2.93Å |
| 14 | S | 53.4 | Low | 50.6 | Low | 68 Ų | 68 | 133.4 Ų | 133.4 | 48% | 0.476 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -67.9 | -26.9 | 176.5 | 78.5 | 0 | 0 | 0 | 0 | 113.4 | E10 H11 D12 T17 | E10-S14 PolarHBondContact O-N 3.2Å; H11-S14 PolarHBondContact O-N 3.42Å; H11-S14 PolarHBondContact O-OG 3.08Å; D12-S14 VanDerWaalsContact C-N 3.33Å; S14-T17 PolarHBondContact O-OG1 3.23Å |
| 15 | G | 50.1 | Low | 50.6 | Low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -14.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L13 | L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.34Å |
| 16 | R | 46.6 | Very low | 50.4 | Low | 188 Ų | 188 | 140 Ų | 140 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -96.7 | -7 | -176.2 | -158.7 | 169.9 | -179.4 | 166.7 | 1.7 | 113.7 | L13 E18 | L13-R16 PolarHBondContact O-N 2.93Å; R16-E18 VanDerWaalsContact C-N 3.31Å; R16-E18 PolarHBondContact O-N 3Å |
| 17 | T | 50.7 | Low | 50.4 | Low | 97 Ų | 97 | 134 Ų | 134 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -79.3 | -8.1 | -179.1 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | S14 T19 | S14-T17 PolarHBondContact O-OG1 3.23Å; T17-T19 PolarHBondContact O-N 3.05Å |
| 18 | E | 48.2 | Very low | 50.6 | Low | 168 Ų | 168 | 133.7 Ų | 133.7 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -84.3 | -3.5 | -176 | -63.1 | -156.9 | 155 | 0 | 0 | 115.7 | R16 | R16-E18 VanDerWaalsContact C-N 3.31Å; R16-E18 PolarHBondContact O-N 3Å |
| 19 | T | 49.9 | Very low | 51 | Low | 121 Ų | 121 | 131.5 Ų | 131.5 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -107.3 | 10.4 | 177.4 | 45.6 | 0 | 0 | 0 | 0 | 114.6 | T17 R21 | T17-T19 PolarHBondContact O-N 3.05Å; T19-R21 VanDerWaalsContact C-N 3.26Å; T19-R21 PolarHBondContact O-N 3.22Å |
| 20 | F | 48.2 | Very low | 51.7 | Low | 169 Ų | 169 | 131.1 Ų | 131.1 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | | | trans | -91.4 | 29.9 | 173.9 | -76.8 | -83.9 | 0 | 0 | 0 | 113.3 | | |
| 21 | R | 44.3 | Very low | 52.2 | Low | 216 Ų | 216 | 132.9 Ų | 132.9 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -93.3 | 119 | 164 | -71.7 | -171.6 | 178.3 | 174 | 1.9 | 108.1 | T19 | T19-R21 VanDerWaalsContact C-N 3.26Å; T19-R21 PolarHBondContact O-N 3.22Å |
| 22 | D | 47.3 | Very low | 52.7 | Low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 92.2 | 33.1 | 157.5 | -45.8 | -37.3 | 0 | 0 | 0 | 120.2 | | |
| 23 | E | 52.4 | Low | 53.3 | Low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | | | trans | -124.1 | 125 | 162.7 | -80.3 | -69.5 | 156.5 | 0 | 0 | 111.5 | L25 | E23-L25 PolarHBondContact O-N 3.49Å; E23-L25 VanDerWaalsContact O-N 3.08Å |
| 24 | P | 47.8 | Very low | 54.1 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | | | trans | -65.7 | 115.3 | -178.1 | 26.4 | -30.4 | 0 | 0 | 0 | 109.7 | M26 | P24-M26 PolarHBondContact O-N 3.08Š|
| 25 | L | 50.9 | Low | 54.6 | Low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | | | trans | -62.3 | 36 | 179.3 | -81.1 | 160.1 | 0 | 0 | 0 | 115.2 | E23 | E23-L25 PolarHBondContact O-N 3.49Å; E23-L25 VanDerWaalsContact O-N 3.08Å |
| 26 | M | 48.2 | Very low | 55.4 | Low | 182 Ų | 182 | 139 Ų | 139 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -141.3 | 101.1 | -177.6 | -69.2 | 179.3 | 83.7 | 0 | 0 | 111.6 | P24 | P24-M26 PolarHBondContact O-N 3.08Š|
| 27 | G | 54.3 | Low | 56 | Low | 58 Ų | 58 | 131.8 Ų | 131.8 | 60% | 0.598 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 146.5 | -53.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 28 | T | 58.2 | Low | 56.4 | Low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -128.6 | -28 | -160.5 | 51.6 | 0 | 0 | 0 | 0 | 115.2 | R32 | T28-R32 PolarHBondContact O-N 3.48Š|
| 29 | G | 62.1 | Low | 57 | Low | 52 Ų | 52 | 132.1 Ų | 132.1 | 54% | 0.536 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -70.9 | -44.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W31 R32 A33 | G29-W31 VanDerWaalsContact C-N 3.32Å; G29-W31 PolarHBondContact O-N 2.83Å; G29-R32 PolarHBondContact O-N 3.34Å; G29-R32 VanDerWaalsContact O-N 3.12Å; G29-A33 PolarHBondContact O-N 3.38Å |
| 30 | M | 64.2 | Low | 57.5 | Low | 131 Ų | 131 | 129.6 Ų | 129.6 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.3 | -41 | 179.1 | -65.7 | -163.2 | -46.1 | 0 | 0 | 111.8 | R32 A33 L34 | M30-R32 VanDerWaalsContact C-N 3.27Å; M30-R32 PolarHBondContact O-N 3.12Å; M30-A33 PolarHBondContact O-N 3.09Å; M30-L34 WeakPolarHBondContact O-CB 3.18Å; M30-L34 WeakPolarHBondContact O-CG 3.43Å; M30-L34 PolarHBondContact O-N 3.26Å |
| 31 | W | 62.1 | Low | 57.9 | Low | 193 Ų | 193 | 127.3 Ų | 127.3 | 73% | 0.731 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.1 | -38.4 | 176.5 | -94.8 | 100.6 | 0 | 0 | 0 | 112.6 | G29 R35 | G29-W31 VanDerWaalsContact C-N 3.32Å; G29-W31 PolarHBondContact O-N 2.83Å; W31-R35 WeakPolarHBondContact O-CB 3.12Å; W31-R35 PolarHBondContact O-N 3.16Å; W31-R35 VanDerWaalsContact O-N 3.08Å |
| 32 | R | 62.8 | Low | 58.5 | Low | 199 Ų | 199 | 121.7 Ų | 121.7 | 75% | 0.751 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.6 | -44.8 | 177.3 | -153.1 | 179.9 | -82.3 | -144.3 | 1.1 | 110.6 | T28 G29 M30 L34 R35 T36 | T28-R32 PolarHBondContact O-N 3.48Å; G29-R32 PolarHBondContact O-N 3.34Å; G29-R32 VanDerWaalsContact O-N 3.12Å; M30-R32 VanDerWaalsContact C-N 3.27Å; M30-R32 PolarHBondContact O-N 3.12Å; R32-L34 PolarHBondContact O-N 3.37Å; R32-R35 PolarHBondContact O-N 3.47Å; R32-T36 PolarHBondContact O-N 3.48Å; R32-T36 VanDerWaalsContact O-N 3.09Å; R32-T36 PolarHBondContact O-OG1 3.35Å; R32-T36 VanDerWaalsContact O-OG1 3.05Å |
| 33 | A | 66.8 | Low | 58.9 | Low | 56 Ų | 56 | 122.4 Ų | 122.4 | 46% | 0.463 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G29 M30 R35 T36 S37 | G29-A33 PolarHBondContact O-N 3.38Å; M30-A33 PolarHBondContact O-N 3.09Å; A33-R35 VanDerWaalsContact C-N 3.32Å; A33-R35 PolarHBondContact O-N 3.13Å; A33-T36 PolarHBondContact O-OG1 3.34Å; A33-S37 VanDerWaalsContact O-CB 3.32Å; A33-S37 WeakPolarHBondContact O-CB 3.24Å; A33-S37 PolarHBondContact O-N 3.46Å; A33-S37 VanDerWaalsContact O-N 3.13Å |
| 34 | L | 66.8 | Low | 58.8 | Low | 85 Ų | 85 | 121.2 Ų | 121.2 | 45% | 0.445 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.3 | -31.7 | 176.5 | -67.5 | 172.1 | 0 | 0 | 0 | 112.1 | M30 R32 I40 W41 | M30-L34 WeakPolarHBondContact O-CB 3.18Å; M30-L34 WeakPolarHBondContact O-CG 3.43Å; M30-L34 PolarHBondContact O-N 3.26Å; R32-L34 PolarHBondContact O-N 3.37Å; L34-I40 HydrophobicContact CB-CD1 4.47Å; L34-I40 HydrophobicContact CD2-CD1 3.32Å; L34-I40 HydrophobicContact CG-CD1 4.46Å; L34-W41 PolarHBondContact O-NE1 2.86Å; L34-W41 VanDerWaalsContact O-NE1 3.16Å |
| 35 | R | 65.7 | Low | 59 | Low | 200 Ų | 200 | 121.4 Ų | 121.4 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.9 | -33.9 | 178.8 | -156.6 | -173.4 | -157.3 | -174 | 7.3 | 112.5 | W31 R32 A33 W41 | W31-R35 WeakPolarHBondContact O-CB 3.12Å; W31-R35 PolarHBondContact O-N 3.16Å; W31-R35 VanDerWaalsContact O-N 3.08Å; R32-R35 PolarHBondContact O-N 3.47Å; A33-R35 VanDerWaalsContact C-N 3.32Å; A33-R35 PolarHBondContact O-N 3.13Å; R35-W41 PolarHBondContact O-NE1 2.84Å |
| 36 | T | 65.1 | Low | 59 | Low | 106 Ų | 106 | 120 Ų | 120 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -93.5 | -8.1 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 114 | R32 A33 P38 | R32-T36 PolarHBondContact O-N 3.48Å; R32-T36 VanDerWaalsContact O-N 3.09Å; R32-T36 PolarHBondContact O-OG1 3.35Å; R32-T36 VanDerWaalsContact O-OG1 3.05Å; A33-T36 PolarHBondContact O-OG1 3.34Å; T36-P38 WeakPolarHBondContact O-CD 3.32Å |
| 37 | S | 60.3 | Low | 59.1 | Low | 36 Ų | 36 | 118.8 Ų | 118.8 | 25% | 0.252 | 60% | 0.599 | S | S | . | * | | | trans | -83 | 107.3 | -179.2 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | A33 Y39 I40 | A33-S37 VanDerWaalsContact O-CB 3.32Å; A33-S37 WeakPolarHBondContact O-CB 3.24Å; A33-S37 PolarHBondContact O-N 3.46Å; A33-S37 VanDerWaalsContact O-N 3.13Å; S37-Y39 PolarHBondContact O-N 3.27Å; S37-Y39 VanDerWaalsContact O-N 3.17Å; S37-I40 PolarHBondContact O-N 3.19Å; S37-I40 VanDerWaalsContact O-N 3.16Å |
| 38 | P | 59.9 | Low | 58.7 | Low | 79 Ų | 79 | 119.5 Ų | 119.5 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.1 | -20.7 | -179.9 | 25.5 | -33.9 | 0 | 0 | 0 | 113 | T36 I40 N42 | T36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-I40 VanDerWaalsContact C-N 3.31Å; P38-I40 PolarHBondContact O-N 3Å; P38-N42 VanDerWaalsContact O-CB 3.24Å; P38-N42 WeakPolarHBondContact O-CB 3.38Å; P38-N42 PolarHBondContact O-N 3.32Å; P38-N42 PolarHBondContact O-ND2 3.47Å |
| 39 | Y | 60.4 | Low | 58.2 | Low | 192 Ų | 192 | 115.8 Ų | 115.8 | 75% | 0.753 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.1 | -32.8 | 175.9 | -81.3 | -87.8 | 0 | 0 | 0 | 113 | S37 K43 | S37-Y39 PolarHBondContact O-N 3.27Å; S37-Y39 VanDerWaalsContact O-N 3.17Å; Y39-K43 WeakPolarHBondContact O-CG 3.42Å; Y39-K43 PolarHBondContact O-N 3.47Å |
| 40 | I | 59.5 | Low | 57.5 | Low | 69 Ų | 69 | 119.9 Ų | 119.9 | 35% | 0.354 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.6 | -34 | -178 | -59 | 179.7 | 0 | 0 | 0 | 110.4 | L34 S37 P38 | L34-I40 HydrophobicContact CB-CD1 4.47Å; L34-I40 HydrophobicContact CD2-CD1 3.32Å; L34-I40 HydrophobicContact CG-CD1 4.46Å; S37-I40 PolarHBondContact O-N 3.19Å; S37-I40 VanDerWaalsContact O-N 3.16Å; P38-I40 VanDerWaalsContact C-N 3.31Å; P38-I40 PolarHBondContact O-N 3Å |
| 41 | W | 57 | Low | 56.9 | Low | 120 Ų | 120 | 114.8 Ų | 114.8 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.1 | -35.9 | 175.7 | -64.6 | 92.3 | 0 | 0 | 0 | 112.2 | L34 R35 K43 R44 | L34-W41 PolarHBondContact O-NE1 2.86Å; L34-W41 VanDerWaalsContact O-NE1 3.16Å; R35-W41 PolarHBondContact O-NE1 2.84Å; W41-K43 VanDerWaalsContact C-N 3.28Å; W41-K43 PolarHBondContact O-N 2.72Å; W41-R44 WeakPolarHBondContact O-CB 3.01Å; W41-R44 PolarHBondContact O-N 2.99Å |
| 42 | N | 56.6 | Low | 56.5 | Low | 99 Ų | 99 | 109.6 Ų | 109.6 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.2 | -36.7 | 173.7 | -104.3 | -60.2 | 0 | 0 | 0 | 112.8 | P38 R44 D45 V46 | P38-N42 VanDerWaalsContact O-CB 3.24Å; P38-N42 WeakPolarHBondContact O-CB 3.38Å; P38-N42 PolarHBondContact O-N 3.32Å; P38-N42 PolarHBondContact O-ND2 3.47Å; N42-R44 PolarHBondContact O-N 3.34Å; N42-D45 PolarHBondContact O-N 3.29Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 3.43Å |
| 43 | K | 55.5 | Low | 56.1 | Low | 161 Ų | 161 | 108 Ų | 108 | 70% | 0.7 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.7 | -21.2 | 176.5 | -69.8 | -118.4 | -175.9 | 179.5 | 0 | 113.3 | Y39 W41 | Y39-K43 WeakPolarHBondContact O-CG 3.42Å; Y39-K43 PolarHBondContact O-N 3.47Å; W41-K43 VanDerWaalsContact C-N 3.28Å; W41-K43 PolarHBondContact O-N 2.72Å |
| 44 | R | 51.6 | Low | 55.5 | Low | 145 Ų | 145 | 111.9 Ų | 111.9 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.8 | -32.9 | 173.6 | -78.8 | -175 | 162.1 | 119.7 | 3.6 | 111.9 | W41 N42 V48 | W41-R44 WeakPolarHBondContact O-CB 3.01Å; W41-R44 PolarHBondContact O-N 2.99Å; N42-R44 PolarHBondContact O-N 3.34Å; R44-V48 WeakPolarHBondContact O-CG2 3.14Å |
| 45 | D | 51.4 | Low | 54.8 | Low | 116 Ų | 116 | 114.5 Ų | 114.5 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77.6 | -28.1 | 178.1 | -63.9 | -35.7 | 0 | 0 | 0 | 112.1 | N42 L47 V48 | N42-D45 PolarHBondContact O-N 3.29Å; D45-L47 PolarHBondContact O-N 3.16Å; D45-V48 PolarHBondContact O-N 3.17Å |
| 46 | V | 50.2 | Low | 54.1 | Low | 118 Ų | 118 | 112.6 Ų | 112.6 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.1 | -22.1 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 113.5 | N42 | N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 3.43Å |
| 47 | L | 49.6 | Very low | 53.4 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 82% | 0.822 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -4.6 | 174.5 | -73.8 | 170.9 | 0 | 0 | 0 | 113.5 | D45 G49 | D45-L47 PolarHBondContact O-N 3.16Å; L47-G49 PolarHBondContact O-N 3.31Å |
| 48 | V | 47.6 | Very low | 53.1 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | | | trans | -95.2 | 79.6 | 170.5 | -175 | 0 | 0 | 0 | 0 | 106.8 | R44 D45 | R44-V48 WeakPolarHBondContact O-CG2 3.14Å; D45-V48 PolarHBondContact O-N 3.17Å |
| 49 | G | 47.8 | Very low | 52.4 | Low | 43 Ų | 43 | 117.7 Ų | 117.7 | 44% | 0.443 | 59% | 0.593 | S | S | . | * | | | trans | -53.6 | 173.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L47 G51 | L47-G49 PolarHBondContact O-N 3.31Å; G49-G51 PolarHBondContact O-N 3.29Å |
| 50 | P | 47.1 | Very low | 52 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 90% | 0.903 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -71.3 | 66.5 | 176.4 | 33.4 | -34.6 | 0 | 0 | 0 | 109.5 | T52 | P50-T52 PolarHBondContact O-N 3.4Š|
| 51 | G | 51.2 | Low | 51.6 | Low | 24 Ų | 24 | 120.6 Ų | 120.6 | 25% | 0.247 | 61% | 0.607 | C | S | . | * | | | trans | -64 | 128.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | G49 E55 | G49-G51 PolarHBondContact O-N 3.29Å; G51-E55 WeakPolarHBondContact CA-OE2 3.46Å |
| 52 | T | 54.7 | Low | 51.4 | Low | 83 Ų | 83 | 120 Ų | 120 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | | | trans | -55.4 | 159.7 | -179.1 | 64.2 | 0 | 0 | 0 | 0 | 109.6 | P50 E54 E55 | P50-T52 PolarHBondContact O-N 3.4Å; T52-E54 WeakPolarHBondContact CB-OE2 3.41Å; T52-E54 PolarHBondContact O-N 2.69Å; T52-E54 PolarHBondContact OG1-OE2 2.9Å; T52-E55 PolarHBondContact O-N 3.46Å |
| 53 | E | 52.7 | Low | 51.2 | Low | 165 Ų | 165 | 121.5 Ų | 121.5 | 77% | 0.771 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -23.4 | -176.2 | -167.8 | 163.1 | 174.8 | 0 | 0 | 112.9 | S57 | E53-S57 PolarHBondContact O-N 3.44Š|
| 54 | E | 54.8 | Low | 50.9 | Low | 139 Ų | 139 | 120.8 Ų | 120.8 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -39.9 | 172 | -61.2 | 77.8 | -157.6 | 0 | 0 | 114.3 | T52 S57 | T52-E54 WeakPolarHBondContact CB-OE2 3.41Å; T52-E54 PolarHBondContact O-N 2.69Å; T52-E54 PolarHBondContact OG1-OE2 2.9Å; E54-S57 PolarHBondContact O-N 3.36Å |
| 55 | E | 51.9 | Low | 50.8 | Low | 140 Ų | 140 | 123.6 Ų | 123.6 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -31.8 | 179.8 | -75.6 | -170.3 | 140.4 | 0 | 0 | 112 | G51 T52 S57 S58 | G51-E55 WeakPolarHBondContact CA-OE2 3.46Å; T52-E55 PolarHBondContact O-N 3.46Å; E55-S57 PolarHBondContact O-N 3.29Å; E55-S58 PolarHBondContact O-N 3.25Å |
| 56 | R | 51 | Low | 50.8 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.1 | -15.9 | 170.8 | -83.3 | -176.5 | 176.3 | -176.3 | -0 | 113 | W59 | R56-W59 PolarHBondContact O-NE1 3.49Å |
| 57 | S | 50.5 | Low | 50.8 | Low | 75 Ų | 75 | 124.2 Ų | 124.2 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -83.8 | -11.5 | 177.7 | -79.2 | 0 | 0 | 0 | 0 | 114.3 | E53 E54 E55 | E53-S57 PolarHBondContact O-N 3.44Å; E54-S57 PolarHBondContact O-N 3.36Å; E55-S57 PolarHBondContact O-N 3.29Å |
| 58 | S | 54 | Low | 50.5 | Low | 79 Ų | 79 | 119.7 Ų | 119.7 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.7 | -38.6 | -176.7 | -171.3 | 0 | 0 | 0 | 0 | 113.6 | E55 K60 K61 N62 | E55-S58 PolarHBondContact O-N 3.25Å; S58-K60 VanDerWaalsContact C-N 3.34Å; S58-K60 PolarHBondContact O-N 3.43Å; S58-K61 PolarHBondContact O-N 2.67Å; S58-N62 WeakPolarHBondContact O-CB 3.47Å; S58-N62 PolarHBondContact O-N 2.65Å |
| 59 | W | 46 | Very low | 50.5 | Low | 173 Ų | 173 | 125.2 Ų | 125.2 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.9 | -27.5 | -178.2 | 63.4 | -82.4 | 0 | 0 | 0 | 113.5 | R56 K63 | R56-W59 PolarHBondContact O-NE1 3.49Å; W59-K63 PolarHBondContact O-N 3.35Å |
| 60 | K | 51.9 | Low | 50.5 | Low | 161 Ų | 161 | 127.6 Ų | 127.6 | 70% | 0.7 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.9 | -33.6 | 175.4 | -160.9 | 174 | -176.9 | -179 | 0 | 112.3 | S58 | S58-K60 VanDerWaalsContact C-N 3.34Å; S58-K60 PolarHBondContact O-N 3.43Å |
| 61 | K | 50.4 | Low | 50.2 | Low | 162 Ų | 162 | 127.2 Ų | 127.2 | 70% | 0.704 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73 | -37.1 | 171.1 | -87.6 | -178.3 | 174.5 | 174.5 | 0 | 112.1 | S58 K63 L64 | S58-K61 PolarHBondContact O-N 2.67Å; K61-K63 VanDerWaalsContact C-N 3.31Å; K61-K63 PolarHBondContact O-N 3.44Å; K61-L64 PolarHBondContact O-N 3.23Å |
| 62 | N | 51.9 | Low | 49.7 | Very low | 106 Ų | 106 | 138 Ų | 138 | 57% | 0.567 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.9 | -23.9 | -178.4 | -159.9 | 5.8 | 0 | 0 | 0 | 113.6 | S58 L64 W65 G66 | S58-N62 WeakPolarHBondContact O-CB 3.47Å; S58-N62 PolarHBondContact O-N 2.65Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-L64 PolarHBondContact O-N 3.32Å; N62-W65 PolarHBondContact O-N 3.06Å; N62-G66 PolarHBondContact O-N 2.81Å |
| 63 | K | 53 | Low | 49 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 57% | 0.574 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -67.2 | -24 | 172.3 | -88.7 | -153.4 | 177 | -171.2 | 0 | 114.6 | W59 K61 Y67 | W59-K63 PolarHBondContact O-N 3.35Å; K61-K63 VanDerWaalsContact C-N 3.31Å; K61-K63 PolarHBondContact O-N 3.44Å; K63-Y67 HydrophobicContact CD-CE2 4.24Å; K63-Y67 HydrophobicContact CG-CD2 4.36Å; K63-Y67 HydrophobicContact CG-CE2 4.15Å |
| 64 | L | 50.2 | Low | 48.8 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -77.9 | -22.9 | 174.3 | -104 | 103.2 | 0 | 0 | 0 | 112.9 | K61 N62 | K61-L64 PolarHBondContact O-N 3.23Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-L64 PolarHBondContact O-N 3.32Å |
| 65 | W | 48.8 | Very low | 48.5 | Very low | 204 Ų | 204 | 140.5 Ų | 140.5 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -96.3 | -25.8 | 179 | -66 | 81 | 0 | 0 | 0 | 112.8 | N62 | N62-W65 PolarHBondContact O-N 3.06Å |
| 66 | G | 50.7 | Low | 48.3 | Very low | 58 Ų | 58 | 140.5 Ų | 140.5 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -85.4 | -12.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N62 | N62-G66 PolarHBondContact O-N 2.81Å |
| 67 | Y | 49.9 | Very low | 48.2 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -118 | 10.4 | -179.2 | -73.9 | -80.7 | 0 | 0 | 0 | 114 | K63 | K63-Y67 HydrophobicContact CD-CE2 4.24Å; K63-Y67 HydrophobicContact CG-CD2 4.36Å; K63-Y67 HydrophobicContact CG-CE2 4.15Å |
| 68 | G | 44.4 | Very low | 48 | Very low | 62 Ų | 62 | 143.4 Ų | 143.4 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -124.8 | -4.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 69 | K | 48.5 | Very low | 47.6 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -116.4 | 85.5 | 175.4 | -89.9 | -149.3 | 177.2 | -170 | 0 | 111 | | |
| 70 | A | 47.1 | Very low | 47.7 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 162.2 | 90.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 71 | V | 40.9 | Very low | 47.4 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 160.2 | 100.9 | 159.5 | 157.8 | 0 | 0 | 0 | 0 | 104.4 | | |
| 72 | W | 39.5 | Very low | 47.2 | Very low | 251 Ų | 251 | 143.3 Ų | 143.3 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | | | trans | 99 | 105.5 | 173 | -62.7 | 46.4 | 0 | 0 | 0 | 115.9 | | |
| 73 | G | 41.4 | Very low | 46.8 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 100% | 1.619 | 82% | 0.822 | S | S | * | * | | | trans | 143 | 0 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |