| 1 | M | 36.5 | Very low | 54.1 | Low | 245 Ų | 245 | 116 Ų | 116 | 100% | 1.207 | 78% | 0.781 | S | S | * | * | | | | 0 | 106.6 | 0 | -70.8 | -57.1 | 167.4 | 0 | 0 | 107.7 | | |
| 2 | A | 55.7 | Low | 54.4 | Low | 101 Ų | 101 | 111 Ų | 111 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -90 | 117.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | I4 | A2-I4 PolarHBondContact O-N 3.44Š|
| 3 | A | 51.9 | Low | 54.5 | Low | 100 Ų | 100 | 110.5 Ų | 110.5 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 123.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 4 | I | 54.3 | Low | 55.3 | Low | 154 Ų | 154 | 108.6 Ų | 108.6 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -90 | 121.4 | 169 | -58.6 | -173.4 | 0 | 0 | 0 | 106.8 | A2 A6 | A2-I4 PolarHBondContact O-N 3.44Å; I4-A6 PolarHBondContact O-N 3.35Å |
| 5 | P | 53.8 | Low | 55.7 | Low | 105 Ų | 105 | 105.7 Ų | 105.7 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.5 | 178.2 | 25.1 | -30.4 | 0 | 0 | 0 | 108.9 | G7 | P5-G7 PolarHBondContact O-N 3.44Š|
| 6 | A | 58.8 | Low | 56 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 97% | 0.967 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 67.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I4 | I4-A6 PolarHBondContact O-N 3.35Š|
| 7 | G | 63.8 | Low | 56.5 | Low | 80 Ų | 80 | 110.8 Ų | 110.8 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.3 | 20.1 | -179 | 0 | 0 | 0 | 0 | 0 | 117.4 | P5 | P5-G7 PolarHBondContact O-N 3.44Š|
| 8 | G | 54.9 | Low | 56.9 | Low | 63 Ų | 63 | 114.8 Ų | 114.8 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | | | trans | -122.6 | 140.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 9 | S | 54.9 | Low | 57.2 | Low | 64 Ų | 64 | 117.8 Ų | 117.8 | 45% | 0.448 | 69% | 0.688 | S | S | . | * | | | cis | -174.7 | 129.9 | 0.7 | 170.8 | 0 | 0 | 0 | 0 | 104.3 | V11 A12 | S9-V11 PolarHBondContact O-N 2.96Å; S9-V11 WeakPolarHBondContact OG-CB 3.22Å; S9-V11 VanDerWaalsContact OG-CG2 3.29Å; S9-V11 WeakPolarHBondContact OG-CG2 3.38Å; S9-V11 PolarHBondContact OG-N 3.31Å; S9-V11 VanDerWaalsContact OG-N 3.13Å; S9-A12 VanDerWaalsContact O-CB 3.29Å; S9-A12 WeakPolarHBondContact O-CB 3.49Å; S9-A12 PolarHBondContact O-N 3.09Å |
| 10 | L | 55.1 | Low | 57.4 | Low | 167 Ų | 167 | 120.3 Ų | 120.3 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -16.3 | 170.3 | -77 | 165.1 | 0 | 0 | 0 | 111.8 | T13 | L10-T13 PolarHBondContact O-OG1 3.48Š|
| 11 | V | 55.9 | Low | 57.8 | Low | 80 Ų | 80 | 120.6 Ų | 120.6 | 49% | 0.485 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -75.4 | -21.3 | 174.7 | -164.8 | 0 | 0 | 0 | 0 | 112.5 | S9 T13 T14 D15 | S9-V11 PolarHBondContact O-N 2.96Å; S9-V11 WeakPolarHBondContact OG-CB 3.22Å; S9-V11 VanDerWaalsContact OG-CG2 3.29Å; S9-V11 WeakPolarHBondContact OG-CG2 3.38Å; S9-V11 PolarHBondContact OG-N 3.31Å; S9-V11 VanDerWaalsContact OG-N 3.13Å; V11-T13 VanDerWaalsContact C-N 3.32Å; V11-T13 PolarHBondContact O-N 3.03Å; V11-T14 PolarHBondContact O-N 3.47Å; V11-D15 WeakPolarHBondContact CG1-OD2 3.42Å; V11-D15 WeakPolarHBondContact O-CB 3.44Å; V11-D15 PolarHBondContact O-N 3.29Å |
| 12 | A | 57.1 | Low | 58.9 | Low | 56 Ų | 56 | 111.8 Ų | 111.8 | 46% | 0.463 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.5 | -30.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | S9 Y16 | S9-A12 VanDerWaalsContact O-CB 3.29Å; S9-A12 WeakPolarHBondContact O-CB 3.49Å; S9-A12 PolarHBondContact O-N 3.09Å; A12-Y16 WeakPolarHBondContact O-CB 3.39Å; A12-Y16 PolarHBondContact O-N 3.4Å; A12-Y16 VanDerWaalsContact O-N 3.11Å |
| 13 | T | 56.1 | Low | 58.5 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 64% | 0.638 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.7 | -44.2 | 176.3 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | L10 V11 Y17 | L10-T13 PolarHBondContact O-OG1 3.48Å; V11-T13 VanDerWaalsContact C-N 3.32Å; V11-T13 PolarHBondContact O-N 3.03Å; T13-Y17 PolarHBondContact O-N 3.09Å |
| 14 | T | 65.6 | Low | 58.6 | Low | 85 Ų | 85 | 111.7 Ų | 111.7 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.9 | -43.9 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112 | V11 Y17 R18 | V11-T14 PolarHBondContact O-N 3.47Å; T14-Y17 PolarHBondContact O-N 3.21Å; T14-R18 WeakPolarHBondContact O-CB 3.42Å; T14-R18 PolarHBondContact O-N 3.1Å |
| 15 | D | 60.9 | Low | 58.6 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 35% | 0.348 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.3 | -37.5 | 179.6 | -91.2 | -47.6 | 0 | 0 | 0 | 112.5 | V11 R19 | V11-D15 WeakPolarHBondContact CG1-OD2 3.42Å; V11-D15 WeakPolarHBondContact O-CB 3.44Å; V11-D15 PolarHBondContact O-N 3.29Å; D15-R19 WeakPolarHBondContact O-CB 3.33Å; D15-R19 PolarHBondContact O-N 3.33Å |
| 16 | Y | 61.2 | Low | 58.7 | Low | 135 Ų | 135 | 110.3 Ų | 110.3 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.6 | -43 | 176.2 | -178.1 | -112.7 | 0 | 0 | 0 | 112.2 | A12 R19 R20 | A12-Y16 WeakPolarHBondContact O-CB 3.39Å; A12-Y16 PolarHBondContact O-N 3.4Å; A12-Y16 VanDerWaalsContact O-N 3.11Å; Y16-R19 PolarHBondContact O-N 3.37Å; Y16-R20 VanDerWaalsContact CE1-NE 3.32Å; Y16-R20 HydrophobicContact CE2-CG 4.47Å; Y16-R20 VanDerWaalsContact CZ-CZ 3.47Å; Y16-R20 VanDerWaalsContact CZ-NE 3.27Å; Y16-R20 PolarHBondContact O-N 2.98Å; Y16-R20 PolarHBondContact OH-NE 3.04Å; Y16-R20 PolarHBondContact OH-NH2 3.37Å |
| 17 | Y | 63.8 | Low | 58.6 | Low | 162 Ų | 162 | 109.8 Ų | 109.8 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.3 | -43.9 | 179.2 | -158.5 | -97.4 | 0 | 0 | 0 | 111.8 | T13 T14 R19 R20 I21 | T13-Y17 PolarHBondContact O-N 3.09Å; T14-Y17 PolarHBondContact O-N 3.21Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 3.41Å; Y17-R20 PolarHBondContact O-N 3.3Å; Y17-I21 HydrophobicContact CD1-CD1 3.88Å; Y17-I21 HydrophobicContact CD1-CG1 4.45Å; Y17-I21 HydrophobicContact CE1-CD1 3.32Å; Y17-I21 HydrophobicContact CE1-CG1 4.26Å; Y17-I21 PolarHBondContact O-N 3.44Å; Y17-I21 VanDerWaalsContact O-N 3.15Å |
| 18 | R | 64.5 | Low | 58.5 | Low | 184 Ų | 184 | 111.3 Ų | 111.3 | 69% | 0.694 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.5 | -41.2 | 173.6 | -84.5 | -151.3 | 65.9 | -139 | -3.8 | 112.6 | T14 G22 | T14-R18 WeakPolarHBondContact O-CB 3.42Å; T14-R18 PolarHBondContact O-N 3.1Å; R18-G22 PolarHBondContact O-N 3Å; R18-G22 VanDerWaalsContact O-N 3.13Å |
| 19 | R | 63.2 | Low | 58.5 | Low | 172 Ų | 172 | 113.4 Ų | 113.4 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.7 | -33.5 | -179.8 | -156.4 | 171.7 | -60.9 | 178.2 | 2.2 | 111.6 | D15 Y16 Y17 S23 | D15-R19 WeakPolarHBondContact O-CB 3.33Å; D15-R19 PolarHBondContact O-N 3.33Å; Y16-R19 PolarHBondContact O-N 3.37Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 3.41Å; R19-S23 WeakPolarHBondContact O-CB 2.99Å; R19-S23 PolarHBondContact O-N 3.39Å; R19-S23 PolarHBondContact O-OG 2.94Å |
| 20 | R | 60.9 | Low | 58.8 | Low | 167 Ų | 167 | 115.9 Ų | 115.9 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.9 | -40.7 | 174.3 | -79.4 | -135.9 | -113.9 | -163.5 | 5.8 | 114.1 | Y16 Y17 | Y16-R20 VanDerWaalsContact CE1-NE 3.32Å; Y16-R20 HydrophobicContact CE2-CG 4.47Å; Y16-R20 VanDerWaalsContact CZ-CZ 3.47Å; Y16-R20 VanDerWaalsContact CZ-NE 3.27Å; Y16-R20 PolarHBondContact O-N 2.98Å; Y16-R20 PolarHBondContact OH-NE 3.04Å; Y16-R20 PolarHBondContact OH-NH2 3.37Å; Y17-R20 PolarHBondContact O-N 3.3Å |
| 21 | I | 65.6 | Low | 58.7 | Low | 127 Ų | 127 | 111.2 Ų | 111.2 | 65% | 0.651 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.8 | -29 | -179 | -59.5 | -167.7 | 0 | 0 | 0 | 112.1 | Y17 | Y17-I21 HydrophobicContact CD1-CD1 3.88Å; Y17-I21 HydrophobicContact CD1-CG1 4.45Å; Y17-I21 HydrophobicContact CE1-CD1 3.32Å; Y17-I21 HydrophobicContact CE1-CG1 4.26Å; Y17-I21 PolarHBondContact O-N 3.44Å; Y17-I21 VanDerWaalsContact O-N 3.15Å |
| 22 | G | 59.3 | Low | 58.9 | Low | 59 Ų | 59 | 112.2 Ų | 112.2 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 2.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R18 T24 | R18-G22 PolarHBondContact O-N 3Å; R18-G22 VanDerWaalsContact O-N 3.13Å; G22-T24 PolarHBondContact O-N 3.22Å |
| 23 | S | 48.1 | Very low | 59 | Low | 75 Ų | 75 | 114.8 Ų | 114.8 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | | | trans | -77.5 | 88.2 | 176.2 | -71 | 0 | 0 | 0 | 0 | 109.4 | R19 S25 | R19-S23 WeakPolarHBondContact O-CB 2.99Å; R19-S23 PolarHBondContact O-N 3.39Å; R19-S23 PolarHBondContact O-OG 2.94Å; S23-S25 PolarHBondContact O-N 3.28Å; S23-S25 VanDerWaalsContact O-N 3.14Å |
| 24 | T | 54 | Low | 59.1 | Low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 68% | 0.681 | S | S | * | * | | | trans | -57 | 115.6 | 152.1 | 50.5 | 0 | 0 | 0 | 0 | 106.4 | G22 S26 | G22-T24 PolarHBondContact O-N 3.22Å; T24-S26 PolarHBondContact O-N 2.98Å |
| 25 | S | 54 | Low | 58.8 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | | | trans | -49.4 | 103.3 | -178.9 | -42.5 | 0 | 0 | 0 | 0 | 110.2 | S23 S27 | S23-S25 PolarHBondContact O-N 3.28Å; S23-S25 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact O-N 3.09Å |
| 26 | S | 54.5 | Low | 58.9 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | -66.2 | 103.4 | 166.6 | -64.9 | 0 | 0 | 0 | 0 | 106.6 | T24 S28 | T24-S26 PolarHBondContact O-N 2.98Å; S26-S28 VanDerWaalsContact C-N 3.25Å; S26-S28 PolarHBondContact O-N 3.48Å |
| 27 | S | 58.2 | Low | 59.1 | Low | 105 Ų | 105 | 122.7 Ų | 122.7 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | | | trans | -58.3 | 95.5 | 160.9 | 47.7 | 0 | 0 | 0 | 0 | 107 | S25 S29 | S25-S27 PolarHBondContact O-N 3.09Å; S27-S29 PolarHBondContact O-N 3.32Å |
| 28 | S | 60.6 | Low | 58.7 | Low | 113 Ų | 113 | 121.8 Ų | 121.8 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | | | trans | -66.4 | 96 | 162.9 | 54.6 | 0 | 0 | 0 | 0 | 105.9 | S26 C30 | S26-S28 VanDerWaalsContact C-N 3.25Å; S26-S28 PolarHBondContact O-N 3.48Å; S28-C30 PolarHBondContact O-N 3.32Å |
| 29 | S | 56.1 | Low | 58.4 | Low | 107 Ų | 107 | 119.8 Ų | 119.8 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | trans | -55.6 | 110.9 | 170.2 | -63.5 | 0 | 0 | 0 | 0 | 107.5 | S27 G31 | S27-S29 PolarHBondContact O-N 3.32Å; S29-G31 PolarHBondContact O-N 3.43Å |
| 30 | C | 59.6 | Low | 58.3 | Low | 116 Ų | 116 | 116.4 Ų | 116.4 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | | | trans | -63.5 | 89 | 159.2 | -177.8 | 0 | 0 | 0 | 0 | 105.5 | S28 S32 | S28-C30 PolarHBondContact O-N 3.32Å; C30-S32 PolarHBondContact O-N 3.06Å |
| 31 | G | 54 | Low | 58.6 | Low | 69 Ų | 69 | 113.8 Ų | 113.8 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | trans | -65.7 | 90.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S29 S33 | S29-G31 PolarHBondContact O-N 3.43Å; G31-S33 PolarHBondContact O-N 3.12Å; G31-S33 VanDerWaalsContact O-N 3.11Å |
| 32 | S | 59.3 | Low | 58.3 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | trans | -50.6 | 119.5 | 161.4 | -61.7 | 0 | 0 | 0 | 0 | 106.2 | C30 E34 | C30-S32 PolarHBondContact O-N 3.06Å; S32-E34 PolarHBondContact O-N 2.96Å |
| 33 | S | 59.9 | Low | 58.4 | Low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | -57.4 | 102.8 | 173.8 | 51.7 | 0 | 0 | 0 | 0 | 107.4 | G31 Y35 | G31-S33 PolarHBondContact O-N 3.12Å; G31-S33 VanDerWaalsContact O-N 3.11Å; S33-Y35 PolarHBondContact O-N 3.12Å |
| 34 | E | 58.5 | Low | 59.2 | Low | 190 Ų | 190 | 121.8 Ų | 121.8 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | trans | -62 | 96.1 | 156.6 | -65.7 | -168.4 | 102.9 | 0 | 0 | 105.6 | S32 S36 | S32-E34 PolarHBondContact O-N 2.96Å; E34-S36 PolarHBondContact O-N 3.2Å |
| 35 | Y | 59.3 | Low | 59.4 | Low | 196 Ų | 196 | 119.1 Ų | 119.1 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | -65.4 | 83 | 169.8 | 175.1 | -104.4 | 0 | 0 | 0 | 107.3 | S33 G37 | S33-Y35 PolarHBondContact O-N 3.12Å; Y35-G37 PolarHBondContact O-N 3.2Å |
| 36 | S | 62.9 | Low | 59.6 | Low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | trans | -77.9 | 107.9 | 167.4 | -177.5 | 0 | 0 | 0 | 0 | 107 | E34 E38 | E34-S36 PolarHBondContact O-N 3.2Å; S36-E38 PolarHBondContact O-N 3.15Å |
| 37 | G | 64.9 | Low | 59.7 | Low | 56 Ų | 56 | 119.2 Ų | 119.2 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | | | trans | -52.9 | 123.1 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y35 | Y35-G37 PolarHBondContact O-N 3.2Š|
| 38 | E | 55 | Low | 59.8 | Low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | | | trans | -99 | 103.4 | 147.8 | -167.9 | -177.7 | 164.9 | 0 | 0 | 106.9 | S36 I40 | S36-E38 PolarHBondContact O-N 3.15Å; E38-I40 HydrophobicContact CB-CG1 4.28Å; E38-I40 HydrophobicContact CG-CD1 4.36Å; E38-I40 HydrophobicContact CG-CG1 3.62Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-I40 WeakPolarHBondContact OE1-CG1 3.42Å |
| 39 | V | 59.8 | Low | 59.8 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | | | trans | -72.1 | 86.3 | 163.1 | 171.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 40 | I | 60.4 | Low | 59.9 | Low | 102 Ų | 102 | 126.2 Ų | 126.2 | 52% | 0.523 | 73% | 0.728 | S | S | . | * | | | trans | -72 | 127.2 | 165.3 | -56.5 | 176.2 | 0 | 0 | 0 | 106.1 | E38 H42 | E38-I40 HydrophobicContact CB-CG1 4.28Å; E38-I40 HydrophobicContact CG-CD1 4.36Å; E38-I40 HydrophobicContact CG-CG1 3.62Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-I40 WeakPolarHBondContact OE1-CG1 3.42Å; I40-H42 PolarHBondContact O-N 3.08Å |
| 41 | P | 67.7 | Low | 60 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -50.7 | 115.6 | 172.8 | -25 | 33.3 | 0 | 0 | 0 | 109.1 | H43 | P41-H43 VanDerWaalsContact C-N 3.26Å; P41-H43 PolarHBondContact O-N 3.12Å |
| 42 | H | 58.7 | Low | 60.5 | Low | 189 Ų | 189 | 124.8 Ų | 124.8 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | | | trans | -69.7 | 86.4 | -173.1 | -137.9 | -78.2 | 0 | 0 | 0 | 108.3 | I40 | I40-H42 PolarHBondContact O-N 3.08Š|
| 43 | H | 61.2 | Low | 61.1 | Low | 106 Ų | 106 | 124.7 Ų | 124.7 | 49% | 0.491 | 70% | 0.703 | S | S | . | * | | | trans | -54.5 | 132.9 | 170.4 | 59.1 | 164.7 | 0 | 0 | 0 | 109.6 | P41 G45 | P41-H43 VanDerWaalsContact C-N 3.26Å; P41-H43 PolarHBondContact O-N 3.12Å; H43-G45 PolarHBondContact O-N 3.07Å |
| 44 | P | 65.3 | Low | 61.8 | Low | 133 Ų | 133 | 128 Ų | 128 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -63.4 | 107.4 | 176 | -13.5 | 26.1 | 0 | 0 | 0 | 109 | | |
| 45 | G | 57.6 | Low | 62.8 | Low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | | | trans | 66.7 | 68.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | H43 | H43-G45 PolarHBondContact O-N 3.07Š|
| 46 | L | 57.3 | Low | 63.1 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | | | trans | -68.1 | 130.1 | 147.9 | -135 | 74.5 | 0 | 0 | 0 | 107.1 | K48 | L46-K48 PolarHBondContact O-N 3.4Š|
| 47 | P | 57.7 | Low | 63.4 | Low | 112 Ų | 112 | 114.8 Ų | 114.8 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | | | trans | -58.7 | 116 | 173.2 | 24 | -31.8 | 0 | 0 | 0 | 106.6 | Q49 | P47-Q49 PolarHBondContact O-N 2.88Š|
| 48 | K | 59.3 | Low | 63.5 | Low | 205 Ų | 205 | 120.4 Ų | 120.4 | 89% | 0.891 | 65% | 0.645 | S | S | * | * | | | trans | -59.8 | 85.6 | 166.5 | -82 | 172 | 161.9 | 176.2 | 0 | 106.1 | L46 D50 | L46-K48 PolarHBondContact O-N 3.4Å; K48-D50 PolarHBondContact O-N 3.2Å |
| 49 | Q | 61.6 | Low | 64 | Low | 158 Ų | 158 | 121.5 Ų | 121.5 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | | | trans | -68.6 | 95.7 | 168.3 | -168 | -174.1 | -82.5 | 0 | 0 | 104.4 | P47 S51 | P47-Q49 PolarHBondContact O-N 2.88Å; Q49-S51 PolarHBondContact O-N 3.15Å |
| 50 | D | 59 | Low | 64.4 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | | | trans | -46.7 | 122.6 | -175.6 | -129.2 | -44.6 | 0 | 0 | 0 | 109.5 | K48 G52 H53 | K48-D50 PolarHBondContact O-N 3.2Å; D50-G52 PolarHBondContact O-N 3.19Å; D50-H53 PolarHBondContact O-N 3.48Å; D50-H53 VanDerWaalsContact O-N 3.08Å |
| 51 | S | 61 | Low | 64.3 | Low | 114 Ų | 114 | 120.3 Ų | 120.3 | 80% | 0.797 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -16 | -177.6 | -34.9 | 0 | 0 | 0 | 0 | 111.9 | Q49 | Q49-S51 PolarHBondContact O-N 3.15Š|
| 52 | G | 64.7 | Low | 64.1 | Low | 42 Ų | 42 | 122.4 Ų | 122.4 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -8.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | D50 W55 | D50-G52 PolarHBondContact O-N 3.19Å; G52-W55 PolarHBondContact O-NE1 3.36Å |
| 53 | H | 70.8 | Confident | 64.1 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 45% | 0.454 | 63% | 0.633 | S | S | . | * | | | trans | -124.2 | 23.4 | -165.5 | -72.6 | -50.4 | 0 | 0 | 0 | 115.1 | D50 W55 S56 | D50-H53 PolarHBondContact O-N 3.48Å; D50-H53 VanDerWaalsContact O-N 3.08Å; H53-W55 PolarHBondContact O-N 3Å; H53-S56 WeakPolarHBondContact CB-OG 3.35Å; H53-S56 PolarHBondContact O-N 3.35Å; H53-S56 PolarHBondContact O-OG 2.86Å |
| 54 | W | 76.3 | Confident | 63.7 | Low | 180 Ų | 180 | 122.8 Ų | 122.8 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -30.8 | 175.7 | 65.7 | -86.7 | 0 | 0 | 0 | 113.3 | | |
| 55 | W | 77.7 | Confident | 63.2 | Low | 129 Ų | 129 | 119.7 Ų | 119.7 | 49% | 0.489 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -25 | -179.5 | 57.6 | -89.3 | 0 | 0 | 0 | 113.3 | G52 H53 S57 F58 | G52-W55 PolarHBondContact O-NE1 3.36Å; H53-W55 PolarHBondContact O-N 3Å; W55-S57 PolarHBondContact O-N 3.23Å; W55-F58 PolarHBondContact O-N 2.8Å; W55-F58 VanDerWaalsContact O-N 3.15Å |
| 56 | S | 67.5 | Low | 62.6 | Low | 28 Ų | 28 | 123.8 Ų | 123.8 | 20% | 0.196 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -72.6 | -20.4 | 176.7 | 53 | 0 | 0 | 0 | 0 | 112.4 | H53 F58 F59 F60 G61 | H53-S56 WeakPolarHBondContact CB-OG 3.35Å; H53-S56 PolarHBondContact O-N 3.35Å; H53-S56 PolarHBondContact O-OG 2.86Å; S56-F58 PolarHBondContact O-N 3.41Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F60 WeakPolarHBondContact O-CA 3.29Å; S56-F60 WeakPolarHBondContact O-CB 2.95Å; S56-F60 PolarHBondContact O-N 3.34Å; S56-G61 PolarHBondContact O-N 3.2Å |
| 57 | S | 68.2 | Low | 62 | Low | 64 Ų | 64 | 123.7 Ų | 123.7 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.6 | -19.8 | 169.9 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | W55 G61 | W55-S57 PolarHBondContact O-N 3.23Å; S57-G61 WeakPolarHBondContact O-CA 2.89Å; S57-G61 PolarHBondContact O-N 2.9Å |
| 58 | F | 66.9 | Low | 61.4 | Low | 174 Ų | 174 | 123.8 Ų | 123.8 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.4 | -35.2 | 174.3 | -83.2 | -87.1 | 0 | 0 | 0 | 112.8 | W55 S56 | W55-F58 PolarHBondContact O-N 2.8Å; W55-F58 VanDerWaalsContact O-N 3.15Å; S56-F58 PolarHBondContact O-N 3.41Å |
| 59 | F | 65.7 | Low | 60.6 | Low | 166 Ų | 166 | 120.7 Ų | 120.7 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -92.2 | -30.6 | -177.6 | -69.4 | -80.3 | 0 | 0 | 0 | 113.1 | S56 | S56-F59 PolarHBondContact O-N 3.27Å |
| 60 | F | 67.4 | Low | 59.5 | Low | 179 Ų | 179 | 117 Ų | 117 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -126.7 | 1.6 | -175.4 | -57.5 | -76 | 0 | 0 | 0 | 112.8 | S56 K62 | S56-F60 WeakPolarHBondContact O-CA 3.29Å; S56-F60 WeakPolarHBondContact O-CB 2.95Å; S56-F60 PolarHBondContact O-N 3.34Å; F60-K62 PolarHBondContact O-N 3.19Å; F60-K62 VanDerWaalsContact O-N 3.12Å |
| 61 | G | 59.8 | Low | 58.8 | Low | 40 Ų | 40 | 121.5 Ų | 121.5 | 41% | 0.412 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -69.7 | 112.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S56 S57 | S56-G61 PolarHBondContact O-N 3.2Å; S57-G61 WeakPolarHBondContact O-CA 2.89Å; S57-G61 PolarHBondContact O-N 2.9Å |
| 62 | K | 62.7 | Low | 58.1 | Low | 155 Ų | 155 | 123.1 Ų | 123.1 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | | | trans | 6.5 | 112.4 | 152.7 | -142.5 | 145.3 | 178.2 | 178.6 | 0 | 115.4 | F60 | F60-K62 PolarHBondContact O-N 3.19Å; F60-K62 VanDerWaalsContact O-N 3.12Å |
| 63 | Q | 59 | Low | 57 | Low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | | | trans | -46.7 | 138.4 | 167.6 | -66.8 | -81.5 | -55.3 | 0 | 0 | 111.1 | G65 | Q63-G65 VanDerWaalsContact C-N 3.28Å; Q63-G65 PolarHBondContact O-N 2.99Å |
| 64 | P | 51.8 | Low | 55.6 | Low | 136 Ų | 136 | 130 Ų | 130 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 84.7 | 177.3 | 31.5 | -30.9 | 0 | 0 | 0 | 108.7 | | |
| 65 | G | 55.3 | Low | 54.2 | Low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.8 | -1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117 | Q63 | Q63-G65 VanDerWaalsContact C-N 3.28Å; Q63-G65 PolarHBondContact O-N 2.99Å |
| 66 | M | 46 | Very low | 52.7 | Low | 155 Ų | 155 | 134.5 Ų | 134.5 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | | | trans | -140.8 | 110 | 174.6 | -138.5 | 79.9 | 96.8 | 0 | 0 | 110.7 | | |
| 67 | T | 43.8 | Very low | 51.4 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | -46.9 | 144.8 | 167.1 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | L69 | T67-L69 PolarHBondContact O-N 2.81Š|
| 68 | P | 44.2 | Very low | 50.5 | Low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -82.2 | 80 | 170.2 | 33.9 | -27.6 | 0 | 0 | 0 | 107.7 | T70 | P68-T70 VanDerWaalsContact C-N 3.32Å; P68-T70 PolarHBondContact O-N 2.94Å |
| 69 | L | 43.4 | Very low | 49.4 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -80 | 96 | 157.2 | -165.3 | 145.8 | 0 | 0 | 0 | 106.6 | T67 | T67-L69 PolarHBondContact O-N 2.81Š|
| 70 | T | 37.6 | Very low | 48.7 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 49% | 0.485 | 76% | 0.76 | S | S | . | * | | | trans | 69.6 | 135.2 | 144.7 | -19.9 | 0 | 0 | 0 | 0 | 121 | P68 E72 | P68-T70 VanDerWaalsContact C-N 3.32Å; P68-T70 PolarHBondContact O-N 2.94Å; T70-E72 WeakPolarHBondContact CB-OE1 3.13Å; T70-E72 HydrophobicContact CG2-CB 4.48Å; T70-E72 HydrophobicContact CG2-CG 3.92Å; T70-E72 WeakPolarHBondContact CG2-OE1 3.46Å; T70-E72 PolarHBondContact O-N 3.11Å; T70-E72 PolarHBondContact OG1-OE1 2.93Å; T70-E72 VanDerWaalsContact OG1-OE1 3.11Å |
| 71 | E | 45.2 | Very low | 47.5 | Very low | 205 Ų | 205 | 129.3 Ų | 129.3 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -58.4 | 18.4 | 170.7 | -89.5 | 179 | 109.6 | 0 | 0 | 116.5 | | |
| 72 | E | 46.8 | Very low | 46.7 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | trans | -117.5 | 14 | -164.3 | 65.6 | -155.5 | 148.3 | 0 | 0 | 116.4 | T70 | T70-E72 WeakPolarHBondContact CB-OE1 3.13Å; T70-E72 HydrophobicContact CG2-CB 4.48Å; T70-E72 HydrophobicContact CG2-CG 3.92Å; T70-E72 WeakPolarHBondContact CG2-OE1 3.46Å; T70-E72 PolarHBondContact O-N 3.11Å; T70-E72 PolarHBondContact OG1-OE1 2.93Å; T70-E72 VanDerWaalsContact OG1-OE1 3.11Å |
| 73 | A | 40.6 | Very low | 46.1 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -128.6 | 18.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 74 | Q | 42.8 | Very low | 45.6 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -113.3 | -0 | 173.7 | -68.1 | -158.9 | -94.9 | 0 | 0 | 115.6 | | |
| 75 | Q | 45.5 | Very low | 45.6 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -86.9 | -3 | 174.6 | -73.4 | -173.4 | -2.2 | 0 | 0 | 114.4 | | |
| 76 | K | 46.8 | Very low | 45.8 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -143.9 | 61.8 | -174.3 | -163.4 | 167.5 | 178.7 | -81.3 | 0 | 113.8 | | |
| 77 | A | 40.5 | Very low | 46.4 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | -154.3 | 81 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | I79 | A77-I79 PolarHBondContact O-N 3.24Å; A77-I79 VanDerWaalsContact O-N 3.15Å |
| 78 | G | 49.5 | Very low | 47.1 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -57.4 | 117.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 79 | I | 43 | Very low | 48 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -137.8 | 87.8 | 151.7 | -30.2 | 171.4 | 0 | 0 | 0 | 105.3 | A77 G81 | A77-I79 PolarHBondContact O-N 3.24Å; A77-I79 VanDerWaalsContact O-N 3.15Å; I79-G81 PolarHBondContact O-N 2.69Å |
| 80 | S | 51.9 | Low | 49.1 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -57.3 | 86.1 | 160.5 | 173.4 | 0 | 0 | 0 | 0 | 108.1 | T82 | S80-T82 PolarHBondContact O-N 2.89Š|
| 81 | G | 41.3 | Very low | 50.6 | Low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | trans | -77.6 | 79.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | I79 V83 | I79-G81 PolarHBondContact O-N 2.69Å; G81-V83 PolarHBondContact O-N 3.18Å; G81-V83 VanDerWaalsContact O-N 3.12Å |
| 82 | T | 43.3 | Very low | 51.7 | Low | 102 Ų | 102 | 124.1 Ų | 124.1 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | trans | -18.4 | 107.6 | 157.6 | 159.9 | 0 | 0 | 0 | 0 | 112.9 | S80 T84 | S80-T82 PolarHBondContact O-N 2.89Å; T82-T84 VanDerWaalsContact C-N 3.29Å; T82-T84 PolarHBondContact O-N 2.94Å; T82-T84 VanDerWaalsContact OG1-CG2 3.22Å; T82-T84 WeakPolarHBondContact OG1-CG2 3.46Å |
| 83 | V | 50.3 | Low | 52.5 | Low | 138 Ų | 138 | 124.9 Ų | 124.9 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -67.3 | 94.4 | 159.9 | 173.3 | 0 | 0 | 0 | 0 | 106.2 | G81 T85 | G81-V83 PolarHBondContact O-N 3.18Å; G81-V83 VanDerWaalsContact O-N 3.12Å; V83-T85 PolarHBondContact O-N 2.86Å |
| 84 | T | 47.2 | Very low | 53.6 | Low | 111 Ų | 111 | 125.6 Ų | 125.6 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | | | trans | -76.4 | 119 | 167 | 58.6 | 0 | 0 | 0 | 0 | 107.9 | T82 G86 | T82-T84 VanDerWaalsContact C-N 3.29Å; T82-T84 PolarHBondContact O-N 2.94Å; T82-T84 VanDerWaalsContact OG1-CG2 3.22Å; T82-T84 WeakPolarHBondContact OG1-CG2 3.46Å; T84-G86 PolarHBondContact O-N 3.15Å |
| 85 | T | 53.3 | Low | 54.7 | Low | 149 Ų | 149 | 121.4 Ų | 121.4 | 91% | 0.914 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -52 | 98.1 | 169.7 | -44.1 | 0 | 0 | 0 | 0 | 110.1 | V83 | V83-T85 PolarHBondContact O-N 2.86Š|
| 86 | G | 59.4 | Low | 55.8 | Low | 58 Ų | 58 | 116 Ų | 116 | 60% | 0.598 | 70% | 0.695 | S | S | * | * | | | trans | 176.7 | 89.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T84 | T84-G86 PolarHBondContact O-N 3.15Š|
| 87 | Q | 57.2 | Low | 56.7 | Low | 180 Ų | 180 | 112.5 Ų | 112.5 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | | | trans | 70 | 85.5 | 159.4 | -56.6 | 178.3 | -48.5 | 0 | 0 | 116.2 | T89 | Q87-T89 VanDerWaalsContact C-N 3.35Å; Q87-T89 PolarHBondContact O-N 3.31Å; Q87-T89 VanDerWaalsContact O-N 3.09Å |
| 88 | I | 59.8 | Low | 57.6 | Low | 177 Ų | 177 | 114.1 Ų | 114.1 | 91% | 0.908 | 68% | 0.678 | S | S | * | * | | | trans | -72.9 | 95 | 154.4 | -52.4 | 172.2 | 0 | 0 | 0 | 106.6 | C90 | I88-C90 PolarHBondContact O-N 3.43Š|
| 89 | T | 62.5 | Low | 58.1 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 63% | 0.632 | 67% | 0.67 | S | S | * | * | | | trans | -70.4 | 117.9 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 109.6 | Q87 I91 | Q87-T89 VanDerWaalsContact C-N 3.35Å; Q87-T89 PolarHBondContact O-N 3.31Å; Q87-T89 VanDerWaalsContact O-N 3.09Å; T89-I91 PolarHBondContact O-N 3.02Å; T89-I91 VanDerWaalsContact O-N 3.12Å |
| 90 | C | 67 | Low | 58.8 | Low | 77 Ų | 77 | 117.2 Ų | 117.2 | 52% | 0.52 | 66% | 0.66 | S | S | . | * | | | trans | -74 | 102.7 | 178.7 | -174 | 0 | 0 | 0 | 0 | 110.2 | I88 A92 K93 | I88-C90 PolarHBondContact O-N 3.43Å; C90-A92 PolarHBondContact O-N 3.47Å; C90-K93 PolarHBondContact O-N 2.91Å; C90-K93 VanDerWaalsContact O-N 3.09Å |
| 91 | I | 68.4 | Low | 59 | Low | 111 Ų | 111 | 114.7 Ų | 114.7 | 57% | 0.569 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.2 | -19.1 | -178.3 | -12.6 | -173.5 | 0 | 0 | 0 | 112.8 | T89 K93 E94 M95 | T89-I91 PolarHBondContact O-N 3.02Å; T89-I91 VanDerWaalsContact O-N 3.12Å; I91-K93 PolarHBondContact O-N 3.11Å; I91-E94 PolarHBondContact O-N 3.13Å; I91-M95 WeakPolarHBondContact O-CG 3.13Å; I91-M95 PolarHBondContact O-N 3.02Å |
| 92 | A | 68.8 | Low | 59.7 | Low | 63 Ų | 63 | 115.8 Ų | 115.8 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.9 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C90 E94 M95 V96 | C90-A92 PolarHBondContact O-N 3.47Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-M95 PolarHBondContact O-N 2.96Å; A92-V96 PolarHBondContact O-N 3.39Å |
| 93 | K | 64 | Low | 60.2 | Low | 162 Ų | 162 | 117.6 Ų | 117.6 | 70% | 0.704 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.3 | -37.2 | 178.4 | -71.9 | -174.4 | 171.1 | -176.8 | 0 | 111.5 | C90 I91 V96 L97 | C90-K93 PolarHBondContact O-N 2.91Å; C90-K93 VanDerWaalsContact O-N 3.09Å; I91-K93 PolarHBondContact O-N 3.11Å; K93-V96 PolarHBondContact O-N 2.9Å; K93-L97 PolarHBondContact O-N 3.29Å |
| 94 | E | 63.6 | Low | 60.3 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 48% | 0.477 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.6 | -41.8 | 177.3 | -170.5 | 178.2 | 160.7 | 0 | 0 | 111.7 | I91 A92 V96 L97 Q98 | I91-E94 PolarHBondContact O-N 3.13Å; A92-E94 VanDerWaalsContact C-N 3.34Å; E94-V96 VanDerWaalsContact C-N 3.31Å; E94-V96 PolarHBondContact O-N 2.85Å; E94-L97 PolarHBondContact O-N 2.96Å; E94-Q98 PolarHBondContact O-N 2.96Å |
| 95 | M | 65.9 | Low | 60.7 | Low | 111 Ų | 111 | 114.6 Ų | 114.6 | 55% | 0.547 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.1 | -27.1 | 178.3 | -65.1 | -153.2 | -170.3 | 0 | 0 | 113.9 | I91 A92 R99 | I91-M95 WeakPolarHBondContact O-CG 3.13Å; I91-M95 PolarHBondContact O-N 3.02Å; A92-M95 PolarHBondContact O-N 2.96Å; M95-R99 WeakPolarHBondContact O-CG 3.29Å; M95-R99 PolarHBondContact O-N 2.88Å |
| 96 | V | 68.9 | Low | 60.6 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.7 | -41.9 | 174 | 169.9 | 0 | 0 | 0 | 0 | 111 | A92 K93 E94 R99 Q100 | A92-V96 PolarHBondContact O-N 3.39Å; K93-V96 PolarHBondContact O-N 2.9Å; E94-V96 VanDerWaalsContact C-N 3.31Å; E94-V96 PolarHBondContact O-N 2.85Å; V96-R99 PolarHBondContact O-N 2.98Å; V96-Q100 WeakPolarHBondContact O-CG 3.47Å; V96-Q100 PolarHBondContact O-N 2.92Å; V96-Q100 VanDerWaalsContact O-N 3.1Å |
| 97 | L | 64.4 | Low | 60.1 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.6 | -40.9 | 176.3 | -79.5 | 159 | 0 | 0 | 0 | 111.9 | K93 E94 Q100 A101 | K93-L97 PolarHBondContact O-N 3.29Å; E94-L97 PolarHBondContact O-N 2.96Å; L97-Q100 PolarHBondContact O-N 2.87Å; L97-A101 PolarHBondContact O-N 3.14Å |
| 98 | Q | 59 | Low | 59.9 | Low | 117 Ų | 117 | 111.1 Ų | 111.1 | 55% | 0.547 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 174.5 | -76.8 | -168.9 | 12.4 | 0 | 0 | 112.3 | E94 Q100 A101 S102 | E94-Q98 PolarHBondContact O-N 2.96Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 2.61Å; Q98-A101 PolarHBondContact O-N 2.77Å; Q98-S102 PolarHBondContact O-N 3.37Å; Q98-S102 PolarHBondContact O-OG 2.88Å; Q98-S102 VanDerWaalsContact O-OG 3.09Å |
| 99 | R | 61.2 | Low | 59.4 | Low | 180 Ų | 180 | 107.5 Ų | 107.5 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.5 | -42.3 | 175.7 | -82.9 | -173.7 | 165.1 | 96.3 | -0.8 | 112.6 | M95 V96 S102 E103 | M95-R99 WeakPolarHBondContact O-CG 3.29Å; M95-R99 PolarHBondContact O-N 2.88Å; V96-R99 PolarHBondContact O-N 2.98Å; R99-S102 PolarHBondContact O-N 3.01Å; R99-E103 WeakPolarHBondContact O-CB 3.35Å; R99-E103 PolarHBondContact O-N 3.22Å |
| 100 | Q | 57.7 | Low | 58.9 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 59% | 0.589 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -39.2 | 177.2 | -70.9 | -89 | -36.1 | 0 | 0 | 112.1 | V96 L97 Q98 E103 S104 | V96-Q100 WeakPolarHBondContact O-CG 3.47Å; V96-Q100 PolarHBondContact O-N 2.92Å; V96-Q100 VanDerWaalsContact O-N 3.1Å; L97-Q100 PolarHBondContact O-N 2.87Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 2.61Å; Q100-E103 PolarHBondContact O-N 3.13Å; Q100-S104 WeakPolarHBondContact O-CB 3.39Å; Q100-S104 PolarHBondContact O-N 2.96Å |
| 101 | A | 55.7 | Low | 58.2 | Low | 63 Ų | 63 | 116.3 Ų | 116.3 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.9 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L97 Q98 S105 | L97-A101 PolarHBondContact O-N 3.14Å; Q98-A101 PolarHBondContact O-N 2.77Å; A101-S105 PolarHBondContact O-N 2.89Å |
| 102 | S | 56 | Low | 57.2 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69 | -38.2 | 175.1 | -60 | 0 | 0 | 0 | 0 | 112.7 | Q98 R99 S105 | Q98-S102 PolarHBondContact O-N 3.37Å; Q98-S102 PolarHBondContact O-OG 2.88Å; Q98-S102 VanDerWaalsContact O-OG 3.09Å; R99-S102 PolarHBondContact O-N 3.01Å; S102-S105 PolarHBondContact O-N 3.11Å |
| 103 | E | 53.8 | Low | 55.7 | Low | 139 Ų | 139 | 123 Ų | 123 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.9 | -40.2 | 175.6 | -172.5 | 174.5 | 99.8 | 0 | 0 | 111.9 | R99 Q100 S105 E106 | R99-E103 WeakPolarHBondContact O-CB 3.35Å; R99-E103 PolarHBondContact O-N 3.22Å; Q100-E103 PolarHBondContact O-N 3.13Å; E103-S105 VanDerWaalsContact C-N 3.26Å; E103-S105 PolarHBondContact O-N 2.97Å; E103-E106 PolarHBondContact O-N 3.31Å |
| 104 | S | 53.4 | Low | 55.3 | Low | 86 Ų | 86 | 121.1 Ų | 121.1 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -65.4 | -27.5 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | Q100 E106 A107 | Q100-S104 WeakPolarHBondContact O-CB 3.39Å; Q100-S104 PolarHBondContact O-N 2.96Å; S104-E106 VanDerWaalsContact C-N 3.31Å; S104-A107 PolarHBondContact O-N 2.87Å |
| 105 | S | 55.3 | Low | 54.8 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.5 | -18.3 | -178.8 | -157.4 | 0 | 0 | 0 | 0 | 113.2 | A101 S102 E103 | A101-S105 PolarHBondContact O-N 2.89Å; S102-S105 PolarHBondContact O-N 3.11Å; E103-S105 VanDerWaalsContact C-N 3.26Å; E103-S105 PolarHBondContact O-N 2.97Å |
| 106 | E | 50.7 | Low | 54.2 | Low | 162 Ų | 162 | 122.7 Ų | 122.7 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -78.2 | -28.7 | 173 | 176.5 | 178.6 | 114.7 | 0 | 0 | 112.2 | E103 S104 G108 | E103-E106 PolarHBondContact O-N 3.31Å; S104-E106 VanDerWaalsContact C-N 3.31Å; E106-G108 VanDerWaalsContact C-N 3.29Å; E106-G108 PolarHBondContact O-N 2.81Å |
| 107 | A | 50 | Low | 53.4 | Low | 85 Ų | 85 | 124.6 Ų | 124.6 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -9.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | S104 | S104-A107 PolarHBondContact O-N 2.87Š|
| 108 | G | 52.1 | Low | 52.7 | Low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | E106 | E106-G108 VanDerWaalsContact C-N 3.29Å; E106-G108 PolarHBondContact O-N 2.81Å |
| 109 | S | 49.4 | Very low | 52.3 | Low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -106.7 | 23.3 | -171.3 | 86.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 110 | R | 51.7 | Low | 51.6 | Low | 227 Ų | 227 | 121.1 Ų | 121.1 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -130.6 | 48.4 | 177.7 | -62.5 | -168.1 | -167.1 | 172.2 | 7.3 | 113.7 | | |
| 111 | T | 51.8 | Low | 51.2 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | | | trans | -146.5 | 71.8 | 160.5 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 112 | S | 47.1 | Very low | 50.8 | Low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -163.7 | 92.4 | 156.1 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 113 | S | 38.2 | Very low | 50.3 | Low | 203 Ų | 203 | 129.1 Ų | 129.1 | 100% | 1.42 | 79% | 0.792 | S | S | * | * | | | trans | 170.5 | 0 | 139.5 | -72.1 | 0 | 0 | 0 | 0 | 109.4 | | |