| 1 | M | 46.9 | Very low | 49.1 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 100% | 1.049 | 69% | 0.689 | S | S | * | * | | | | 0 | 76.4 | 0 | -177.3 | 179.2 | 162.9 | 0 | 0 | 108.3 | | |
| 2 | F | 46.1 | Very low | 49.3 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | | | trans | -120.6 | -9.3 | -174.7 | -101.7 | -84.4 | 0 | 0 | 0 | 113.7 | | |
| 3 | T | 46.5 | Very low | 49.5 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -81.9 | -20.8 | -171.3 | -27.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 4 | F | 45.6 | Very low | 49.9 | Very low | 161 Ų | 161 | 133 Ų | 133 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.3 | -21.4 | -173.1 | -111.3 | -88.4 | 0 | 0 | 0 | 114.7 | S7 T8 | F4-S7 PolarHBondContact O-OG 3.1Å; F4-S7 VanDerWaalsContact O-OG 3.09Å; F4-T8 PolarHBondContact O-OG1 3.36Å |
| 5 | F | 45.9 | Very low | 50.3 | Low | 164 Ų | 164 | 131.9 Ų | 131.9 | 72% | 0.719 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.4 | -30 | -176.8 | -84.7 | -83 | 0 | 0 | 0 | 113.3 | S7 | F5-S7 PolarHBondContact O-N 3.28Å |
| 6 | L | 46 | Very low | 50.5 | Low | 143 Ų | 143 | 128.3 Ų | 128.3 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.4 | -32 | -178.2 | -80.5 | 161.8 | 0 | 0 | 0 | 113.2 | | |
| 7 | S | 52 | Low | 50.7 | Low | 47 Ų | 47 | 129.1 Ų | 129.1 | 33% | 0.329 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.4 | -42 | 179.9 | 46 | 0 | 0 | 0 | 0 | 111.8 | F4 F5 E9 Y10 Y11 | F4-S7 PolarHBondContact O-OG 3.1Å; F4-S7 VanDerWaalsContact O-OG 3.09Å; F5-S7 PolarHBondContact O-N 3.28Å; S7-E9 PolarHBondContact O-N 3.13Å; S7-Y10 PolarHBondContact O-N 3.32Å; S7-Y11 WeakPolarHBondContact O-CD2 3.34Å; S7-Y11 PolarHBondContact O-N 3.22Å |
| 8 | T | 54.5 | Low | 50.8 | Low | 78 Ų | 78 | 128.9 Ų | 128.9 | 48% | 0.479 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.5 | -42.9 | -169.7 | -37.4 | 0 | 0 | 0 | 0 | 112.3 | F4 Y11 Q12 | F4-T8 PolarHBondContact O-OG1 3.36Å; T8-Y11 PolarHBondContact O-N 3.26Å; T8-Q12 PolarHBondContact O-N 3.47Å; T8-Q12 VanDerWaalsContact O-N 3.08Å |
| 9 | E | 52.7 | Low | 50.8 | Low | 154 Ų | 154 | 127.6 Ų | 127.6 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.1 | -37 | 177.8 | -65.3 | -154.4 | 165.3 | 0 | 0 | 112.1 | S7 Y11 Q12 A13 | S7-E9 PolarHBondContact O-N 3.13Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.07Å; E9-Q12 PolarHBondContact O-N 3.3Å; E9-A13 PolarHBondContact O-N 3.25Å |
| 10 | Y | 51.9 | Low | 50.9 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.1 | -38.8 | 177.2 | -160.4 | -91.3 | 0 | 0 | 0 | 111.7 | S7 I14 | S7-Y10 PolarHBondContact O-N 3.32Å; Y10-I14 HydrophobicContact CD1-CD1 4.16Å; Y10-I14 HydrophobicContact CE1-CD1 4.03Å |
| 11 | Y | 52.5 | Low | 51.1 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73 | -37.6 | 177.4 | -75.5 | -67.9 | 0 | 0 | 0 | 113.3 | S7 T8 E9 A13 I14 D15 | S7-Y11 WeakPolarHBondContact O-CD2 3.34Å; S7-Y11 PolarHBondContact O-N 3.22Å; T8-Y11 PolarHBondContact O-N 3.26Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.07Å; Y11-A13 VanDerWaalsContact C-N 3.25Å; Y11-A13 PolarHBondContact O-N 3.16Å; Y11-I14 PolarHBondContact O-N 3.37Å; Y11-I14 VanDerWaalsContact O-N 3.08Å; Y11-D15 PolarHBondContact O-N 3.29Å |
| 12 | Q | 50.9 | Low | 51.3 | Low | 139 Ų | 139 | 125.5 Ų | 125.5 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.9 | -34.4 | 176.9 | -84.4 | -172.4 | -4.7 | 0 | 0 | 112.9 | T8 E9 I14 D15 S16 | T8-Q12 PolarHBondContact O-N 3.47Å; T8-Q12 VanDerWaalsContact O-N 3.08Å; E9-Q12 PolarHBondContact O-N 3.3Å; Q12-I14 VanDerWaalsContact C-N 3.29Å; Q12-I14 PolarHBondContact O-N 3.32Å; Q12-D15 PolarHBondContact O-N 3.06Å; Q12-S16 PolarHBondContact O-N 3.47Å |
| 13 | A | 52.6 | Low | 51.9 | Low | 53 Ų | 53 | 121.3 Ų | 121.3 | 44% | 0.438 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E9 Y11 S16 L17 | E9-A13 PolarHBondContact O-N 3.25Å; Y11-A13 VanDerWaalsContact C-N 3.25Å; Y11-A13 PolarHBondContact O-N 3.16Å; A13-S16 PolarHBondContact O-N 3.32Å; A13-S16 PolarHBondContact O-OG 3.41Å; A13-L17 PolarHBondContact O-N 2.9Å |
| 14 | I | 55.2 | Low | 52.2 | Low | 79 Ų | 79 | 123.8 Ų | 123.8 | 41% | 0.405 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.6 | -39.1 | -178.1 | -56.8 | 178.7 | 0 | 0 | 0 | 111.3 | Y10 Y11 Q12 S16 L17 N18 | Y10-I14 HydrophobicContact CD1-CD1 4.16Å; Y10-I14 HydrophobicContact CE1-CD1 4.03Å; Y11-I14 PolarHBondContact O-N 3.37Å; Y11-I14 VanDerWaalsContact O-N 3.08Å; Q12-I14 VanDerWaalsContact C-N 3.29Å; Q12-I14 PolarHBondContact O-N 3.32Å; I14-S16 VanDerWaalsContact C-N 3.26Å; I14-S16 PolarHBondContact O-N 3.4Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-L17 VanDerWaalsContact O-N 3.12Å; I14-N18 PolarHBondContact O-N 3.45Å |
| 15 | D | 54.7 | Low | 52.8 | Low | 116 Ų | 116 | 121.9 Ų | 121.9 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.8 | -32.1 | 177.7 | -75.9 | -22.9 | 0 | 0 | 0 | 112.1 | Y11 Q12 L17 N18 | Y11-D15 PolarHBondContact O-N 3.29Å; Q12-D15 PolarHBondContact O-N 3.06Å; D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.89Å; D15-N18 PolarHBondContact O-N 3.21Å |
| 16 | S | 53.8 | Low | 53.2 | Low | 74 Ų | 74 | 119.3 Ų | 119.3 | 52% | 0.517 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.6 | -28.4 | 175.1 | 79.6 | 0 | 0 | 0 | 0 | 113.4 | Q12 A13 I14 T19 | Q12-S16 PolarHBondContact O-N 3.47Å; A13-S16 PolarHBondContact O-N 3.32Å; A13-S16 PolarHBondContact O-OG 3.41Å; I14-S16 VanDerWaalsContact C-N 3.26Å; I14-S16 PolarHBondContact O-N 3.4Å; S16-T19 PolarHBondContact O-OG1 3.18Å; S16-T19 VanDerWaalsContact O-OG1 3.1Å |
| 17 | L | 54 | Low | 53.6 | Low | 142 Ų | 142 | 120.5 Ų | 120.5 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.4 | -21.3 | 178.3 | -96.1 | 141.1 | 0 | 0 | 0 | 112.8 | A13 I14 D15 T19 | A13-L17 PolarHBondContact O-N 2.9Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-L17 VanDerWaalsContact O-N 3.12Å; D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.89Å; L17-T19 PolarHBondContact O-N 3.11Å |
| 18 | N | 52 | Low | 53.7 | Low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 6.6 | 175 | -92 | -8.7 | 0 | 0 | 0 | 113.6 | I14 D15 T20 | I14-N18 PolarHBondContact O-N 3.45Å; D15-N18 PolarHBondContact O-N 3.21Å; N18-T20 PolarHBondContact O-N 2.73Å |
| 19 | T | 52.1 | Low | 53.8 | Low | 104 Ų | 104 | 125.6 Ų | 125.6 | 64% | 0.638 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -64.4 | 108.8 | 170.6 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | S16 L17 H21 | S16-T19 PolarHBondContact O-OG1 3.18Å; S16-T19 VanDerWaalsContact O-OG1 3.1Å; L17-T19 PolarHBondContact O-N 3.11Å; T19-H21 PolarHBondContact O-N 2.98Å |
| 20 | T | 52.8 | Low | 54 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | | | trans | -31.3 | 111.2 | 176.6 | -50 | 0 | 0 | 0 | 0 | 113.3 | N18 T22 | N18-T20 PolarHBondContact O-N 2.73Å; T20-T22 PolarHBondContact O-N 2.87Å |
| 21 | H | 54.3 | Low | 53.9 | Low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | | | trans | -63.1 | 99.2 | 162.4 | -90.5 | -96.6 | 0 | 0 | 0 | 108.2 | T19 A23 | T19-H21 PolarHBondContact O-N 2.98Å; H21-A23 VanDerWaalsContact C-N 3.34Å; H21-A23 PolarHBondContact O-N 2.73Å |
| 22 | T | 51.5 | Low | 53.9 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | | | trans | -62.1 | 101.6 | 164.8 | -54.1 | 0 | 0 | 0 | 0 | 106.8 | T20 Q24 | T20-T22 PolarHBondContact O-N 2.87Å; T22-Q24 PolarHBondContact O-N 2.78Å |
| 23 | A | 57.7 | Low | 53.8 | Low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | | | trans | -67 | 82.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109 | H21 T25 | H21-A23 VanDerWaalsContact C-N 3.34Å; H21-A23 PolarHBondContact O-N 2.73Å; A23-T25 PolarHBondContact O-N 3.31Å; A23-T25 VanDerWaalsContact O-N 3.11Å |
| 24 | Q | 52.8 | Low | 53.8 | Low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | | | trans | -72.1 | 96.5 | 167.7 | -89.1 | -173.5 | -65.4 | 0 | 0 | 108.3 | T22 | T22-Q24 PolarHBondContact O-N 2.78Š|
| 25 | T | 58.1 | Low | 53.4 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | | | trans | -169.2 | 102.1 | 130.9 | 1.1 | 0 | 0 | 0 | 0 | 111 | A23 M27 | A23-T25 PolarHBondContact O-N 3.31Å; A23-T25 VanDerWaalsContact O-N 3.11Å; T25-M27 VanDerWaalsContact C-N 3.34Å; T25-M27 PolarHBondContact O-N 3.36Å |
| 26 | S | 55.3 | Low | 53.2 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | -67.4 | 93.4 | 156.7 | 159.9 | 0 | 0 | 0 | 0 | 107.8 | T28 | S26-T28 PolarHBondContact O-N 3.43Š|
| 27 | M | 53.5 | Low | 53.1 | Low | 168 Ų | 168 | 132.6 Ų | 132.6 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | | | trans | -79.6 | 105.6 | 164.5 | -78.6 | -158.3 | -92.4 | 0 | 0 | 108.1 | T25 P29 | T25-M27 VanDerWaalsContact C-N 3.34Å; T25-M27 PolarHBondContact O-N 3.36Å; M27-P29 WeakPolarHBondContact O-CD 3.47Å |
| 28 | T | 55.1 | Low | 52.7 | Low | 115 Ų | 115 | 132.1 Ų | 132.1 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | trans | -69.3 | 122.4 | 172.7 | -14.7 | 0 | 0 | 0 | 0 | 108.6 | S26 I30 | S26-T28 PolarHBondContact O-N 3.43Å; T28-I30 PolarHBondContact O-N 3.32Å |
| 29 | P | 56.3 | Low | 52.7 | Low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | | | trans | -65.1 | 120.8 | 177.4 | 23.2 | -30 | 0 | 0 | 0 | 109.5 | M27 N31 | M27-P29 WeakPolarHBondContact O-CD 3.47Å; P29-N31 PolarHBondContact O-N 3.49Å |
| 30 | I | 57.1 | Low | 52.8 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | | | trans | -70.2 | 105.4 | 173.3 | -51.7 | 176.3 | 0 | 0 | 0 | 106.7 | T28 K32 | T28-I30 PolarHBondContact O-N 3.32Å; I30-K32 HydrophobicContact CB-CG 4.28Å; I30-K32 HydrophobicContact CG2-CD 4.41Å; I30-K32 HydrophobicContact CG2-CG 3.53Å; I30-K32 PolarHBondContact O-N 2.95Å |
| 31 | N | 49.2 | Very low | 52.8 | Low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | | | trans | -67.3 | 73.8 | 173.7 | -166.2 | -3.6 | 0 | 0 | 0 | 109.4 | P29 T33 | P29-N31 PolarHBondContact O-N 3.49Å; N31-T33 VanDerWaalsContact C-N 3.33Å; N31-T33 PolarHBondContact O-N 3.15Å; N31-T33 VanDerWaalsContact O-N 3.08Å; N31-T33 PolarHBondContact OD1-OG1 3.16Å |
| 32 | K | 52.1 | Low | 52.7 | Low | 172 Ų | 172 | 126.1 Ų | 126.1 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | | | trans | -81.6 | 79.5 | 178.7 | -73.3 | -162.3 | 177.8 | 177.3 | 0 | 109.9 | I30 | I30-K32 HydrophobicContact CB-CG 4.28Å; I30-K32 HydrophobicContact CG2-CD 4.41Å; I30-K32 HydrophobicContact CG2-CG 3.53Å; I30-K32 PolarHBondContact O-N 2.95Å |
| 33 | T | 49.5 | Very low | 52.8 | Low | 119 Ų | 119 | 126.2 Ų | 126.2 | 73% | 0.73 | 69% | 0.69 | S | S | * | * | | | trans | -99.5 | 10.2 | 158.5 | -30.4 | 0 | 0 | 0 | 0 | 111.7 | N31 N35 | N31-T33 VanDerWaalsContact C-N 3.33Å; N31-T33 PolarHBondContact O-N 3.15Å; N31-T33 VanDerWaalsContact O-N 3.08Å; N31-T33 PolarHBondContact OD1-OG1 3.16Å; T33-N35 VanDerWaalsContact C-N 3.33Å; T33-N35 PolarHBondContact O-N 2.87Å |
| 34 | T | 52.6 | Low | 52.6 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -74.5 | 92.4 | 175.6 | -46.1 | 0 | 0 | 0 | 0 | 109.3 | V36 | T34-V36 PolarHBondContact O-N 2.78Å; T34-V36 VanDerWaalsContact O-N 3.16Å |
| 35 | N | 47.7 | Very low | 52.6 | Low | 114 Ų | 114 | 126 Ų | 126 | 61% | 0.61 | 68% | 0.677 | S | S | * | * | | | trans | -32 | 112.8 | 171.2 | -128.3 | -31.8 | 0 | 0 | 0 | 111.4 | T33 Y37 Q38 | T33-N35 VanDerWaalsContact C-N 3.33Å; T33-N35 PolarHBondContact O-N 2.87Å; N35-Y37 PolarHBondContact O-N 3.4Å; N35-Y37 WeakPolarHBondContact OD1-CD2 3.42Å; N35-Q38 PolarHBondContact O-N 3.36Å; N35-Q38 VanDerWaalsContact O-N 3.15Å |
| 36 | V | 50.7 | Low | 52.2 | Low | 106 Ų | 106 | 127.2 Ų | 127.2 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -22.9 | -176.5 | 170.6 | 0 | 0 | 0 | 0 | 112.8 | T34 Q38 I39 | T34-V36 PolarHBondContact O-N 2.78Å; T34-V36 VanDerWaalsContact O-N 3.16Å; V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 3.08Å; V36-I39 PolarHBondContact O-N 3.2Å |
| 37 | Y | 50.2 | Low | 52.1 | Low | 187 Ų | 187 | 127.2 Ų | 127.2 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.4 | -27.2 | -179.9 | -62.8 | -73 | 0 | 0 | 0 | 114.4 | N35 I39 | N35-Y37 PolarHBondContact O-N 3.4Å; N35-Y37 WeakPolarHBondContact OD1-CD2 3.42Å; Y37-I39 PolarHBondContact O-N 3.06Å |
| 38 | Q | 46.6 | Very low | 51.9 | Low | 132 Ų | 132 | 128.4 Ų | 128.4 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.5 | -29.9 | -179.8 | -157 | 77.5 | 41.7 | 0 | 0 | 112.6 | N35 V36 V40 | N35-Q38 PolarHBondContact O-N 3.36Å; N35-Q38 VanDerWaalsContact O-N 3.15Å; V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 3.08Å; Q38-V40 VanDerWaalsContact C-N 3.33Å; Q38-V40 PolarHBondContact O-N 3.03Å |
| 39 | I | 52.2 | Low | 51.7 | Low | 105 Ų | 105 | 131.9 Ų | 131.9 | 54% | 0.538 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -71.5 | -29.4 | -173.9 | -59.1 | 174.5 | 0 | 0 | 0 | 111.4 | V36 Y37 L43 | V36-I39 PolarHBondContact O-N 3.2Å; Y37-I39 PolarHBondContact O-N 3.06Å; I39-L43 PolarHBondContact O-N 3.11Å |
| 40 | V | 54.6 | Low | 51.3 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.3 | -38 | -175.3 | -177.7 | 0 | 0 | 0 | 0 | 112 | Q38 K44 | Q38-V40 VanDerWaalsContact C-N 3.33Å; Q38-V40 PolarHBondContact O-N 3.03Å; V40-K44 PolarHBondContact O-N 3.21Å |
| 41 | D | 51.8 | Low | 50.9 | Low | 109 Ų | 109 | 130.2 Ų | 130.2 | 58% | 0.583 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.3 | -40.8 | -178.3 | -77.1 | -23 | 0 | 0 | 0 | 112.1 | L43 K44 T45 | D41-L43 PolarHBondContact O-N 2.77Å; D41-K44 PolarHBondContact O-N 2.93Å; D41-T45 PolarHBondContact O-N 3.32Å; D41-T45 PolarHBondContact O-OG1 3.44Å |
| 42 | D | 52 | Low | 50.9 | Low | 104 Ų | 104 | 129.3 Ų | 129.3 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.4 | -38.3 | 176.4 | -88.3 | -10.7 | 0 | 0 | 0 | 112.2 | K44 T45 H46 | D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 2.9Å; D42-T45 PolarHBondContact O-N 3.3Å; D42-H46 PolarHBondContact O-N 3.35Å |
| 43 | L | 53.6 | Low | 50.5 | Low | 117 Ų | 117 | 126.6 Ų | 126.6 | 61% | 0.613 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.4 | -39.9 | 180 | -144.5 | 80.5 | 0 | 0 | 0 | 111.8 | I39 D41 T45 H46 V47 | I39-L43 PolarHBondContact O-N 3.11Å; D41-L43 PolarHBondContact O-N 2.77Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 2.8Å; L43-H46 PolarHBondContact O-N 3.1Å; L43-V47 WeakPolarHBondContact O-CG2 3.03Å; L43-V47 PolarHBondContact O-N 3.46Å |
| 44 | K | 52.6 | Low | 50.2 | Low | 171 Ų | 171 | 125.6 Ų | 125.6 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66.8 | -31.3 | -178.6 | -155.7 | 174.9 | -172.2 | 178 | 0 | 112.2 | V40 D41 D42 | V40-K44 PolarHBondContact O-N 3.21Å; D41-K44 PolarHBondContact O-N 2.93Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 2.9Å |
| 45 | T | 53.3 | Low | 49.6 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.4 | -29.3 | -179.6 | -24.1 | 0 | 0 | 0 | 0 | 112.5 | D41 D42 L43 | D41-T45 PolarHBondContact O-N 3.32Å; D41-T45 PolarHBondContact O-OG1 3.44Å; D42-T45 PolarHBondContact O-N 3.3Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 2.8Å |
| 46 | H | 51 | Low | 49.6 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 68% | 0.676 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -84.6 | -26.9 | -179.2 | -81.9 | 5.2 | 0 | 0 | 0 | 114.9 | D42 L43 K48 K49 | D42-H46 PolarHBondContact O-N 3.35Å; L43-H46 PolarHBondContact O-N 3.1Å; H46-K48 PolarHBondContact O-N 3.42Å; H46-K49 PolarHBondContact O-N 3.35Å |
| 47 | V | 51.8 | Low | 49.2 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -22.9 | 179.7 | 173.4 | 0 | 0 | 0 | 0 | 112.9 | L43 K49 | L43-V47 WeakPolarHBondContact O-CG2 3.03Å; L43-V47 PolarHBondContact O-N 3.46Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 3.48Å |
| 48 | K | 50.2 | Low | 49.1 | Very low | 193 Ų | 193 | 127.2 Ų | 127.2 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -5.3 | 179 | -80.4 | -166.2 | 177.4 | -174.6 | 0 | 115.4 | H46 | H46-K48 PolarHBondContact O-N 3.42Š|
| 49 | K | 49.9 | Very low | 48.5 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -10.6 | -172.1 | -77.9 | -170.7 | 176 | -178.1 | 0 | 117 | H46 V47 T51 | H46-K49 PolarHBondContact O-N 3.35Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 3.48Å; K49-T51 PolarHBondContact O-N 3.37Å |
| 50 | S | 49.1 | Very low | 48.1 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | | | trans | -96 | 93.1 | -176.7 | 19.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 51 | T | 47.8 | Very low | 47.6 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | | | trans | -49.8 | 143.2 | 163.4 | -39.5 | 0 | 0 | 0 | 0 | 110.4 | K49 S53 | K49-T51 PolarHBondContact O-N 3.37Å; T51-S53 PolarHBondContact O-N 3.37Å; T51-S53 VanDerWaalsContact O-N 3.1Å |
| 52 | P | 49.4 | Very low | 47.4 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | | | trans | -66.3 | 111 | -169.5 | -16.4 | 29.8 | 0 | 0 | 0 | 111.7 | S54 | P52-S54 PolarHBondContact O-N 3.29Š|
| 53 | S | 44.2 | Very low | 47.1 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | trans | -83.5 | 100.3 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | T51 | T51-S53 PolarHBondContact O-N 3.37Å; T51-S53 VanDerWaalsContact O-N 3.1Å |
| 54 | S | 43.3 | Very low | 46.8 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | trans | 24.8 | 118 | 142.7 | -48.6 | 0 | 0 | 0 | 0 | 120 | P52 | P52-S54 PolarHBondContact O-N 3.29Š|
| 55 | N | 40.5 | Very low | 46.4 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | 47.1 | 86.6 | 143.9 | -79.1 | -11.8 | 0 | 0 | 0 | 118.1 | T57 | N55-T57 PolarHBondContact O-N 3.45Š|
| 56 | I | 46.5 | Very low | 46.3 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | trans | -90.8 | 92.6 | 150.6 | -52.5 | 179.1 | 0 | 0 | 0 | 107.2 | L58 | I56-L58 HydrophobicContact CG2-CD2 4.33Å; I56-L58 HydrophobicContact CG2-CG 3.93Å; I56-L58 PolarHBondContact O-N 2.95Å; I56-L58 VanDerWaalsContact O-N 3.13Å |
| 57 | T | 42.4 | Very low | 46.8 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | | | trans | -71.5 | 96.8 | 163.1 | -52.6 | 0 | 0 | 0 | 0 | 107.2 | N55 N59 | N55-T57 PolarHBondContact O-N 3.45Å; T57-N59 PolarHBondContact O-N 3.12Å; T57-N59 VanDerWaalsContact O-N 3.07Å |
| 58 | L | 47.4 | Very low | 47.1 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | -73.7 | 94.5 | 173.8 | -82.3 | 160.4 | 0 | 0 | 0 | 109 | I56 N60 | I56-L58 HydrophobicContact CG2-CD2 4.33Å; I56-L58 HydrophobicContact CG2-CG 3.93Å; I56-L58 PolarHBondContact O-N 2.95Å; I56-L58 VanDerWaalsContact O-N 3.13Å; L58-N60 PolarHBondContact O-N 3.46Å |
| 59 | N | 35.7 | Very low | 47.6 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -70.4 | 71.9 | 166.8 | -70.3 | -23.1 | 0 | 0 | 0 | 109.8 | T57 H61 | T57-N59 PolarHBondContact O-N 3.12Å; T57-N59 VanDerWaalsContact O-N 3.07Å; N59-H61 VanDerWaalsContact C-N 3.33Å; N59-H61 PolarHBondContact O-N 3.08Å |
| 60 | N | 42.6 | Very low | 47.9 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | trans | -87.2 | 83.5 | 163.6 | -88.7 | 17 | 0 | 0 | 0 | 108.7 | L58 D62 | L58-N60 PolarHBondContact O-N 3.46Å; N60-D62 VanDerWaalsContact C-N 3.33Å; N60-D62 PolarHBondContact O-N 3.41Å; N60-D62 VanDerWaalsContact O-N 3.16Å |
| 61 | H | 44.1 | Very low | 48.5 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | | | trans | -66 | 96.3 | 151.8 | -105.1 | -63 | 0 | 0 | 0 | 107.3 | N59 | N59-H61 VanDerWaalsContact C-N 3.33Å; N59-H61 PolarHBondContact O-N 3.08Å |
| 62 | D | 47.3 | Very low | 48.8 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 168.8 | 71.4 | 138 | -81.7 | -14.4 | 0 | 0 | 0 | 110.6 | N60 N64 | N60-D62 VanDerWaalsContact C-N 3.33Å; N60-D62 PolarHBondContact O-N 3.41Å; N60-D62 VanDerWaalsContact O-N 3.16Å; D62-N64 VanDerWaalsContact C-N 3.32Å; D62-N64 PolarHBondContact O-N 3.44Å |
| 63 | G | 46.2 | Very low | 49.3 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | S | Bend | | 71 | -43.5 | 129.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 64 | N | 46.7 | Very low | 49.1 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -132.9 | 42.7 | -162.3 | -67.6 | 3.1 | 0 | 0 | 0 | 113.2 | D62 E66 | D62-N64 VanDerWaalsContact C-N 3.32Å; D62-N64 PolarHBondContact O-N 3.44Å; N64-E66 PolarHBondContact O-N 3.43Å |
| 65 | N | 44.9 | Very low | 49.4 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | | | trans | -67.3 | 66.4 | 162.8 | -79.4 | 15.2 | 0 | 0 | 0 | 109.6 | I67 | N65-I67 PolarHBondContact O-N 3.29Š|
| 66 | E | 52.3 | Low | 49.8 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -69.6 | 90.4 | 166.7 | -166.5 | 161.2 | -166.7 | 0 | 0 | 106.4 | N64 C68 | N64-E66 PolarHBondContact O-N 3.43Å; E66-C68 PolarHBondContact O-N 3.03Å |
| 67 | I | 60.7 | Low | 50 | Low | 131 Ų | 131 | 149.1 Ų | 149.1 | 67% | 0.672 | 79% | 0.792 | S | S | * | * | | | trans | -54.4 | 110.9 | 170.2 | -64.1 | 167 | 0 | 0 | 0 | 105.5 | N65 R69 | N65-I67 PolarHBondContact O-N 3.29Å; I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 PolarHBondContact O-N 3.24Å |
| 68 | C | 58 | Low | 50.4 | Low | 126 Ų | 126 | 151.6 Ų | 151.6 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -54.4 | 93.5 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | E66 | E66-C68 PolarHBondContact O-N 3.03Š|
| 69 | R | 60.6 | Low | 50.6 | Low | 214 Ų | 214 | 152.2 Ų | 152.2 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | -83.9 | 125.7 | 175.5 | -77 | -177.2 | 170.7 | -177.3 | -2.1 | 108 | I67 K71 | I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 PolarHBondContact O-N 3.24Å; R69-K71 PolarHBondContact O-N 3.08Å |
| 70 | P | 57 | Low | 51.5 | Low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -54.5 | 124.1 | 168.5 | -20.7 | 30.7 | 0 | 0 | 0 | 109.2 | M72 | P70-M72 PolarHBondContact O-N 3.49Š|
| 71 | K | 61.1 | Low | 52.1 | Low | 181 Ų | 181 | 155.5 Ų | 155.5 | 79% | 0.787 | 82% | 0.821 | S | S | * | * | | | trans | -67.3 | 105.2 | 167.2 | -88.5 | -179.7 | 176.9 | 173.8 | 0 | 107.4 | R69 H73 | R69-K71 PolarHBondContact O-N 3.08Å; K71-H73 PolarHBondContact O-N 3.3Å; K71-H73 VanDerWaalsContact O-N 3.11Å |
| 72 | M | 53.7 | Low | 52.7 | Low | 183 Ų | 183 | 153.9 Ų | 153.9 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | | | trans | -66.1 | 105.8 | 161.8 | -86.6 | -171.7 | 137.2 | 0 | 0 | 107.5 | P70 S74 | P70-M72 PolarHBondContact O-N 3.49Å; M72-S74 PolarHBondContact O-N 3.09Å |
| 73 | H | 59.9 | Low | 53.1 | Low | 176 Ų | 176 | 154.8 Ų | 154.8 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | | | trans | -74.2 | 109.5 | 159 | -66.7 | -75.9 | 0 | 0 | 0 | 106.3 | K71 | K71-H73 PolarHBondContact O-N 3.3Å; K71-H73 VanDerWaalsContact O-N 3.11Å |
| 74 | S | 40.2 | Very low | 53.7 | Low | 106 Ų | 106 | 161.5 Ų | 161.5 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | | | trans | -107.4 | 133.5 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | M72 | M72-S74 PolarHBondContact O-N 3.09Š|
| 75 | L | 49.2 | Very low | 54.3 | Low | 245 Ų | 245 | 162.6 Ų | 162.6 | 100% | 1.283 | 83% | 0.833 | S | S | * | * | | | trans | 80.4 | 0 | -173.9 | -65.5 | 164.1 | 0 | 0 | 0 | 115.7 | | |