| 1 | M | 54.9 | Low | 59.7 | Low | 246 Ų | 246 | 136.3 Ų | 136.3 | 100% | 1.212 | 84% | 0.84 | S | S | * | * | | | | 0 | 101 | 0 | -69.7 | 179 | -168.5 | 0 | 0 | 105.8 | | |
| 2 | E | 53.3 | Low | 59.6 | Low | 198 Ų | 198 | 136.6 Ų | 136.6 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | | | trans | -135.5 | 137.1 | 178.1 | -85.1 | 178.6 | 83.9 | 0 | 0 | 109.4 | | |
| 3 | S | 59.8 | Low | 59.6 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 151.3 | -161.3 | -62.2 | 0 | 0 | 0 | 0 | 114.7 | A5 | S3-A5 PolarHBondContact O-N 3.46Š|
| 4 | P | 57.9 | Low | 59.5 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.2 | 176.2 | 29.1 | -31.7 | 0 | 0 | 0 | 110.1 | S6 | P4-S6 PolarHBondContact O-N 3.05Š|
| 5 | A | 62.1 | Low | 59.4 | Low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 122.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S3 S7 | S3-A5 PolarHBondContact O-N 3.46Å; A5-S7 PolarHBondContact O-N 3.1Å |
| 6 | S | 59.5 | Low | 59.2 | Low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 120.7 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 111 | P4 Q8 | P4-S6 PolarHBondContact O-N 3.05Å; S6-Q8 PolarHBondContact O-N 3.18Å |
| 7 | S | 65.1 | Low | 59 | Low | 119 Ų | 119 | 130.8 Ų | 130.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -73 | 79.6 | 170.5 | -52 | 0 | 0 | 0 | 0 | 109.1 | A5 P9 | A5-S7 PolarHBondContact O-N 3.1Å; S7-P9 WeakPolarHBondContact O-CD 3.4Å |
| 8 | Q | 60.4 | Low | 58.7 | Low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -66.1 | 125.2 | 169.6 | -85.3 | -178 | -89.4 | 0 | 0 | 109.1 | S6 A10 | S6-Q8 PolarHBondContact O-N 3.18Å; Q8-A10 PolarHBondContact O-N 3.31Å |
| 9 | P | 57.8 | Low | 58.7 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -65.7 | 122.8 | 170.7 | 26.2 | -30.4 | 0 | 0 | 0 | 108 | S7 S11 | S7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-S11 PolarHBondContact O-N 3.11Å |
| 10 | A | 63.2 | Low | 58.6 | Low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | trans | -56.5 | 111.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q8 M12 | Q8-A10 PolarHBondContact O-N 3.31Å; A10-M12 PolarHBondContact O-N 3.18Å |
| 11 | S | 62.3 | Low | 58.5 | Low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | | | trans | -57 | 111.9 | 171.6 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | P9 | P9-S11 PolarHBondContact O-N 3.11Š|
| 12 | M | 58.9 | Low | 58.5 | Low | 140 Ų | 140 | 122.3 Ų | 122.3 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | | | trans | -53.6 | 134.6 | 177.7 | -110.9 | -165.1 | 154.6 | 0 | 0 | 109.3 | A10 Q14 | A10-M12 PolarHBondContact O-N 3.18Å; M12-Q14 PolarHBondContact O-N 3.05Å |
| 13 | P | 59.1 | Low | 58.7 | Low | 79 Ų | 79 | 117.8 Ų | 117.8 | 51% | 0.513 | 68% | 0.682 | S | S | . | * | | | trans | -64.4 | 114.8 | 178.5 | 22.7 | -30.3 | 0 | 0 | 0 | 109.6 | S15 K16 | P13-S15 PolarHBondContact O-N 3.33Å; P13-K16 PolarHBondContact O-N 3.13Å; P13-K16 VanDerWaalsContact O-N 3.08Å |
| 14 | Q | 58.7 | Low | 58.7 | Low | 155 Ų | 155 | 117 Ų | 117 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | -15 | 179.2 | -65.2 | 175.5 | -45.1 | 0 | 0 | 114.2 | M12 K16 | M12-Q14 PolarHBondContact O-N 3.05Å; Q14-K16 VanDerWaalsContact C-N 3.31Å; Q14-K16 PolarHBondContact O-N 2.97Å |
| 15 | S | 58.3 | Low | 58.7 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.4 | -30 | 176.2 | -46.8 | 0 | 0 | 0 | 0 | 113.5 | P13 | P13-S15 PolarHBondContact O-N 3.33Å |
| 16 | K | 56.2 | Low | 58.6 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 60% | 0.6 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.1 | -36.2 | 179 | -73.1 | -173.8 | 178 | -180 | 0 | 112.6 | P13 Q14 R18 L19 V20 | P13-K16 PolarHBondContact O-N 3.13Å; P13-K16 VanDerWaalsContact O-N 3.08Å; Q14-K16 VanDerWaalsContact C-N 3.31Å; Q14-K16 PolarHBondContact O-N 2.97Å; K16-R18 VanDerWaalsContact C-N 3.35Å; K16-R18 PolarHBondContact O-N 3.01Å; K16-L19 PolarHBondContact O-N 2.82Å; K16-V20 PolarHBondContact O-N 2.88Å |
| 17 | E | 55.2 | Low | 58.6 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 179.4 | -67.3 | 174.2 | 98.4 | 0 | 0 | 111.7 | L19 V20 I21 | E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.9Å; E17-V20 PolarHBondContact O-N 2.94Å; E17-I21 WeakPolarHBondContact O-CD1 3.37Å; E17-I21 WeakPolarHBondContact O-CG1 3.3Å; E17-I21 PolarHBondContact O-N 3.23Å |
| 18 | R | 54.5 | Low | 58.4 | Low | 203 Ų | 203 | 116.8 Ų | 116.8 | 77% | 0.766 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.6 | -35.8 | 175.5 | -76.9 | -173.8 | -179.2 | -137.3 | 0.7 | 113.5 | K16 S22 | K16-R18 VanDerWaalsContact C-N 3.35Å; K16-R18 PolarHBondContact O-N 3.01Å; R18-S22 PolarHBondContact O-N 3.32Å |
| 19 | L | 57.3 | Low | 58.6 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -39.1 | -179.6 | -161.5 | 95.7 | 0 | 0 | 0 | 111.5 | K16 E17 S22 M23 | K16-L19 PolarHBondContact O-N 2.82Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.9Å; L19-S22 PolarHBondContact O-N 3.38Å; L19-M23 PolarHBondContact O-N 3.3Å |
| 20 | V | 58 | Low | 58.8 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.9 | -40.8 | 179.8 | 179 | 0 | 0 | 0 | 0 | 111.2 | K16 E17 S22 M23 V24 | K16-V20 PolarHBondContact O-N 2.88Å; E17-V20 PolarHBondContact O-N 2.94Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 3.29Å; V20-M23 PolarHBondContact O-N 3.13Å; V20-V24 PolarHBondContact O-N 3.39Å |
| 21 | I | 56.3 | Low | 58.9 | Low | 113 Ų | 113 | 121.9 Ų | 121.9 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.7 | -35.6 | 177.6 | -63.7 | 163.9 | 0 | 0 | 0 | 111.3 | E17 T25 | E17-I21 WeakPolarHBondContact O-CD1 3.37Å; E17-I21 WeakPolarHBondContact O-CG1 3.3Å; E17-I21 PolarHBondContact O-N 3.23Å; I21-T25 PolarHBondContact O-N 2.93Å; I21-T25 PolarHBondContact O-OG1 3.39Å |
| 22 | S | 54.9 | Low | 59.2 | Low | 62 Ų | 62 | 122 Ų | 122 | 43% | 0.434 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.1 | -43 | 177.8 | -166.2 | 0 | 0 | 0 | 0 | 112.3 | R18 L19 V20 T25 I26 | R18-S22 PolarHBondContact O-N 3.32Å; L19-S22 PolarHBondContact O-N 3.38Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 3.29Å; S22-T25 PolarHBondContact O-N 2.95Å; S22-I26 WeakPolarHBondContact O-CG1 3.42Å; S22-I26 VanDerWaalsContact O-N 3.13Å; S22-I26 PolarHBondContact O-N 3.36Å |
| 23 | M | 57.8 | Low | 59.6 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 50% | 0.502 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.6 | -37.3 | -178.9 | -69.8 | -65.8 | -178.6 | 0 | 0 | 113.1 | L19 V20 T25 I26 Y27 | L19-M23 PolarHBondContact O-N 3.3Å; V20-M23 PolarHBondContact O-N 3.13Å; M23-T25 PolarHBondContact O-N 3.24Å; M23-I26 PolarHBondContact O-N 3.47Å; M23-Y27 PolarHBondContact O-N 3.31Å; M23-Y27 HydrophobicContact SD-CD2 4.18Å; M23-Y27 HydrophobicContact SD-CE2 3.92Å |
| 24 | V | 58.3 | Low | 60.2 | Low | 99 Ų | 99 | 124.4 Ų | 124.4 | 60% | 0.6 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.8 | -29.8 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | V20 G28 | V20-V24 PolarHBondContact O-N 3.39Å; V24-G28 WeakPolarHBondContact O-CA 3.04Å; V24-G28 PolarHBondContact O-N 3.27Å |
| 25 | T | 58.3 | Low | 61 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.5 | -35.2 | 176.8 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | I21 S22 M23 | I21-T25 PolarHBondContact O-N 2.93Å; I21-T25 PolarHBondContact O-OG1 3.39Å; S22-T25 PolarHBondContact O-N 2.95Å; M23-T25 PolarHBondContact O-N 3.24Å |
| 26 | I | 60.8 | Low | 61.6 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 56% | 0.559 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -81.5 | -36.9 | -177.4 | -63.2 | 167.6 | 0 | 0 | 0 | 111.9 | S22 M23 | S22-I26 WeakPolarHBondContact O-CG1 3.42Å; S22-I26 VanDerWaalsContact O-N 3.13Å; S22-I26 PolarHBondContact O-N 3.36Å; M23-I26 PolarHBondContact O-N 3.47Å |
| 27 | Y | 58.5 | Low | 62.3 | Low | 188 Ų | 188 | 122.7 Ų | 122.7 | 74% | 0.737 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -114.6 | 8.4 | -177 | -62.6 | -79.3 | 0 | 0 | 0 | 113.9 | M23 | M23-Y27 PolarHBondContact O-N 3.31Å; M23-Y27 HydrophobicContact SD-CD2 4.18Å; M23-Y27 HydrophobicContact SD-CE2 3.92Å |
| 28 | G | 62.6 | Low | 62.9 | Low | 25 Ų | 25 | 121.5 Ų | 121.5 | 26% | 0.258 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -62 | 164.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V24 Q30 | V24-G28 WeakPolarHBondContact O-CA 3.04Å; V24-G28 PolarHBondContact O-N 3.27Å; G28-Q30 PolarHBondContact O-N 3.31Å |
| 29 | P | 63.5 | Low | 63.5 | Low | 127 Ų | 127 | 116.4 Ų | 116.4 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | | | trans | -56.6 | 110.9 | 178.3 | 23.7 | -32.3 | 0 | 0 | 0 | 109 | Q31 | P29-Q31 PolarHBondContact O-N 3.39Š|
| 30 | Q | 61.4 | Low | 64 | Low | 179 Ų | 179 | 115.3 Ų | 115.3 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | | | trans | -61 | 106.6 | 172.1 | -170.9 | 171.5 | 81.4 | 0 | 0 | 105.8 | G28 V32 | G28-Q30 PolarHBondContact O-N 3.31Å; Q30-V32 VanDerWaalsContact C-N 3.35Å; Q30-V32 PolarHBondContact O-N 3.37Å |
| 31 | Q | 65.3 | Low | 64 | Low | 186 Ų | 186 | 116.7 Ų | 116.7 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | | | trans | -60.1 | 102.2 | 180 | -70 | -174.9 | 14.6 | 0 | 0 | 107.4 | P29 | P29-Q31 PolarHBondContact O-N 3.39Š|
| 32 | V | 68.6 | Low | 64.1 | Low | 115 Ų | 115 | 115.9 Ų | 115.9 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | | | trans | -67.8 | 127.3 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | Q30 I34 | Q30-V32 VanDerWaalsContact C-N 3.35Å; Q30-V32 PolarHBondContact O-N 3.37Å; V32-I34 PolarHBondContact O-N 3.25Å |
| 33 | P | 67.2 | Low | 64.4 | Low | 110 Ų | 110 | 118 Ų | 118 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | | | trans | -59.3 | 116.6 | 175.4 | 22.9 | -30.8 | 0 | 0 | 0 | 108.3 | C35 | P33-C35 PolarHBondContact O-N 3.06Å; P33-C35 VanDerWaalsContact O-N 3.13Å |
| 34 | I | 73.5 | Confident | 64.4 | Low | 161 Ų | 161 | 119.7 Ų | 119.7 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | | | trans | -67.8 | 112.1 | 172.3 | -62.9 | 169.8 | 0 | 0 | 0 | 106 | V32 A36 | V32-I34 PolarHBondContact O-N 3.25Å; I34-A36 PolarHBondContact O-N 3Å |
| 35 | C | 75.3 | Confident | 64.5 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | | | trans | -62.1 | 106.5 | 169.7 | -66.8 | 0 | 0 | 0 | 0 | 108 | P33 V37 | P33-C35 PolarHBondContact O-N 3.06Å; P33-C35 VanDerWaalsContact O-N 3.13Å; C35-V37 PolarHBondContact O-N 3.08Å |
| 36 | A | 71.1 | Confident | 64 | Low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | | | trans | -65 | 108 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I34 N38 | I34-A36 PolarHBondContact O-N 3Å; A36-N38 PolarHBondContact O-N 3.45Å |
| 37 | V | 69.8 | Low | 64.2 | Low | 136 Ų | 136 | 128.5 Ų | 128.5 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | trans | -66.9 | 123.1 | 173.7 | -143.7 | 0 | 0 | 0 | 0 | 107.3 | C35 P39 | C35-V37 PolarHBondContact O-N 3.08Å; V37-P39 VanDerWaalsContact O-CD 3.3Å; V37-P39 WeakPolarHBondContact O-CD 3.47Å |
| 38 | N | 68.8 | Low | 64.5 | Low | 94 Ų | 94 | 125.3 Ų | 125.3 | 50% | 0.503 | 73% | 0.732 | S | S | . | * | | | trans | -66.4 | 115.8 | 179.1 | -172.8 | -20.6 | 0 | 0 | 0 | 109.1 | A36 V40 L41 | A36-N38 PolarHBondContact O-N 3.45Å; N38-V40 PolarHBondContact O-N 2.92Å; N38-V40 VanDerWaalsContact O-N 3.1Å; N38-V40 WeakPolarHBondContact OD1-CB 3.33Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.34Å; N38-V40 PolarHBondContact OD1-N 3.23Å; N38-L41 PolarHBondContact O-N 2.83Å |
| 39 | P | 65.6 | Low | 64.6 | Low | 97 Ų | 97 | 130.9 Ų | 130.9 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -64.2 | -18.7 | -174.5 | 25.7 | -34.5 | 0 | 0 | 0 | 113.2 | V37 L41 S42 | V37-P39 VanDerWaalsContact O-CD 3.3Å; V37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-L41 PolarHBondContact O-N 3.25Å; P39-S42 WeakPolarHBondContact O-CB 3.47Å; P39-S42 PolarHBondContact O-N 2.98Å |
| 40 | V | 68.4 | Low | 64.6 | Low | 96 Ų | 96 | 131.1 Ų | 131.1 | 58% | 0.582 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -64.2 | -27.2 | 177.8 | -180 | 0 | 0 | 0 | 0 | 112.3 | N38 T43 | N38-V40 PolarHBondContact O-N 2.92Å; N38-V40 VanDerWaalsContact O-N 3.1Å; N38-V40 WeakPolarHBondContact OD1-CB 3.33Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.34Å; N38-V40 PolarHBondContact OD1-N 3.23Å; V40-T43 PolarHBondContact O-OG1 3.21Å; V40-T43 VanDerWaalsContact O-OG1 3.11Å |
| 41 | L | 58.6 | Low | 64.8 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -80 | -21.2 | 175 | -69.6 | 169 | 0 | 0 | 0 | 112.6 | N38 P39 T43 | N38-L41 PolarHBondContact O-N 2.83Å; P39-L41 PolarHBondContact O-N 3.25Å; L41-T43 VanDerWaalsContact C-N 3.3Å; L41-T43 PolarHBondContact O-N 3.44Å |
| 42 | S | 58.4 | Low | 64.8 | Low | 95 Ų | 95 | 124.3 Ų | 124.3 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -74.9 | -20 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 112.9 | P39 | P39-S42 WeakPolarHBondContact O-CB 3.47Å; P39-S42 PolarHBondContact O-N 2.98Å |
| 43 | T | 61.3 | Low | 64.5 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -0.2 | -178 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | V40 L41 | V40-T43 PolarHBondContact O-OG1 3.21Å; V40-T43 VanDerWaalsContact O-OG1 3.11Å; L41-T43 VanDerWaalsContact C-N 3.3Å; L41-T43 PolarHBondContact O-N 3.44Å |
| 44 | L | 58.2 | Low | 64.3 | Low | 139 Ų | 139 | 126.1 Ų | 126.1 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 10.5 | -177.3 | -101.3 | 147.9 | 0 | 0 | 0 | 113.9 | | |
| 45 | Q | 60.4 | Low | 63.6 | Low | 174 Ų | 174 | 123.2 Ų | 123.2 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -116.4 | 29.9 | -177.9 | -65.5 | -165.7 | -70.8 | 0 | 0 | 115.4 | | |
| 46 | T | 47 | Very low | 62.5 | Low | 204 Ų | 204 | 123.9 Ų | 123.9 | 100% | 1.252 | 74% | 0.737 | S | S | * | * | | | trans | -136 | 0 | 168.1 | 23.9 | 0 | 0 | 0 | 0 | 111.9 | | |