| 1 | L | 45 | Very low | 60.2 | Low | 233 Ų | 233 | 125.2 Ų | 125.2 | 100% | 1.22 | 79% | 0.793 | S | S | * | * | | | | 0 | 96 | 0 | -74.4 | 162.4 | 0 | 0 | 0 | 107.8 | | |
| 2 | T | 50.3 | Low | 60.4 | Low | 135 Ų | 135 | 125.8 Ų | 125.8 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -87.4 | 121.7 | 178.8 | 42.7 | 0 | 0 | 0 | 0 | 109.2 | T4 | T2-T4 PolarHBondContact O-N 3.37Š|
| 3 | T | 60.3 | Low | 60.9 | Low | 140 Ų | 140 | 128.2 Ų | 128.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -75.6 | 107.6 | 172.3 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | S5 | T3-S5 PolarHBondContact O-N 2.99Š|
| 4 | T | 59.3 | Low | 61.4 | Low | 124 Ų | 124 | 130.2 Ų | 130.2 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | -81.2 | 104.7 | 167.2 | -71.5 | 0 | 0 | 0 | 0 | 107 | T2 | T2-T4 PolarHBondContact O-N 3.37Š|
| 5 | S | 67 | Low | 61.3 | Low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 126.2 | 168.2 | -178 | 0 | 0 | 0 | 0 | 108.5 | T3 L7 | T3-S5 PolarHBondContact O-N 2.99Å; S5-L7 PolarHBondContact O-N 3.22Å; S5-L7 VanDerWaalsContact O-N 3.16Å |
| 6 | P | 67.9 | Low | 61.4 | Low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117.5 | 175.1 | 26.8 | -30.6 | 0 | 0 | 0 | 108.1 | | |
| 7 | L | 65.1 | Low | 61.5 | Low | 158 Ų | 158 | 125.4 Ų | 125.4 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 136.6 | 170.8 | -94.5 | 74.5 | 0 | 0 | 0 | 108.8 | S5 A9 | S5-L7 PolarHBondContact O-N 3.22Å; S5-L7 VanDerWaalsContact O-N 3.16Å; L7-A9 PolarHBondContact O-N 3.36Å |
| 8 | P | 61.8 | Low | 61.7 | Low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 135.6 | 179.4 | 24.1 | -32 | 0 | 0 | 0 | 110.1 | | |
| 9 | A | 64.5 | Low | 61.8 | Low | 68 Ų | 68 | 134 Ų | 134 | 56% | 0.562 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 133.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L7 G11 L12 | L7-A9 PolarHBondContact O-N 3.36Å; A9-G11 PolarHBondContact O-N 3.12Å; A9-L12 PolarHBondContact O-N 3.19Å; A9-L12 VanDerWaalsContact O-N 3.15Å |
| 10 | P | 58.4 | Low | 62.2 | Low | 141 Ų | 141 | 133.3 Ų | 133.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 111.3 | 175.7 | -15.5 | 27.9 | 0 | 0 | 0 | 108.9 | | |
| 11 | G | 63.1 | Low | 62.2 | Low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.3 | -8.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A9 L13 | A9-G11 PolarHBondContact O-N 3.12Å; G11-L13 PolarHBondContact O-N 3.1Å; G11-L13 VanDerWaalsContact O-N 3.15Å |
| 12 | L | 62.5 | Low | 63.2 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | -76.9 | 13.8 | 171.2 | -159.2 | 99 | 0 | 0 | 0 | 113.4 | A9 M14 | A9-L12 PolarHBondContact O-N 3.19Å; A9-L12 VanDerWaalsContact O-N 3.15Å; L12-M14 PolarHBondContact O-N 2.83Å |
| 13 | L | 66.6 | Low | 64 | Low | 158 Ų | 158 | 125.1 Ų | 125.1 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | -95 | 88.3 | 169.5 | -62.5 | 179.4 | 0 | 0 | 0 | 106.5 | G11 P15 | G11-L13 PolarHBondContact O-N 3.1Å; G11-L13 VanDerWaalsContact O-N 3.15Å; L13-P15 WeakPolarHBondContact O-CD 3.4Å |
| 14 | M | 67.3 | Low | 64.4 | Low | 156 Ų | 156 | 126.8 Ų | 126.8 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | | | trans | -53.7 | 125.3 | 169.2 | -52.4 | -55.4 | -67.5 | 0 | 0 | 107.2 | L12 S16 | L12-M14 PolarHBondContact O-N 2.83Å; M14-S16 PolarHBondContact O-N 2.78Å |
| 15 | P | 60.8 | Low | 64.6 | Low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | -53.2 | 123 | 171.9 | -21.5 | 31 | 0 | 0 | 0 | 106.8 | L13 A17 | L13-P15 WeakPolarHBondContact O-CD 3.4Å; P15-A17 PolarHBondContact O-N 3.11Å |
| 16 | S | 63.3 | Low | 64.7 | Low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | -68 | 80.7 | -176.5 | -138.6 | 0 | 0 | 0 | 0 | 108.7 | M14 K18 | M14-S16 PolarHBondContact O-N 2.78Å; S16-K18 PolarHBondContact O-N 2.84Å |
| 17 | A | 62.4 | Low | 64.7 | Low | 83 Ų | 83 | 124 Ų | 124 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | | | trans | -61.8 | 120.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | P15 R19 | P15-A17 PolarHBondContact O-N 3.11Å; A17-R19 PolarHBondContact O-N 3.16Å |
| 18 | K | 65.5 | Low | 64.6 | Low | 206 Ų | 206 | 121.5 Ų | 121.5 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | | | trans | -32.4 | 97.9 | -176.9 | -73.6 | -179.6 | 178.1 | 176.9 | 0 | 110.3 | S16 | S16-K18 PolarHBondContact O-N 2.84Š|
| 19 | R | 63 | Low | 64.5 | Low | 209 Ų | 209 | 122.3 Ų | 122.3 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.9 | 175 | -67.8 | -173.4 | -69.8 | 168.9 | -0.1 | 106.3 | A17 A21 | A17-R19 PolarHBondContact O-N 3.16Å; R19-A21 PolarHBondContact O-N 3.49Å |
| 20 | P | 69.7 | Low | 64.2 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 140.7 | 173.8 | -22.7 | 32 | 0 | 0 | 0 | 109 | S22 | P20-S22 PolarHBondContact O-N 2.59Š|
| 21 | A | 61.6 | Low | 64.3 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 116.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | R19 | R19-A21 PolarHBondContact O-N 3.49Š|
| 22 | S | 67.9 | Low | 64.2 | Low | 66 Ų | 66 | 124.6 Ų | 124.6 | 46% | 0.462 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -81.2 | 131.2 | 179.7 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | P20 M24 S25 | P20-S22 PolarHBondContact O-N 2.59Å; S22-M24 PolarHBondContact O-N 2.87Å; S22-M24 PolarHBondContact OG-N 3.06Å; S22-S25 PolarHBondContact O-N 2.79Å; S22-S25 PolarHBondContact O-OG 2.91Å |
| 23 | D | 65.4 | Low | 63.9 | Low | 170 Ų | 170 | 123.2 Ų | 123.2 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.1 | 175.2 | -65.7 | -45.7 | 0 | 0 | 0 | 113.2 | | |
| 24 | M | 68.9 | Low | 63.6 | Low | 174 Ų | 174 | 120.5 Ų | 120.5 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 1.2 | 174.2 | -63.8 | -66.4 | -85 | 0 | 0 | 113 | S22 P26 | S22-M24 PolarHBondContact O-N 2.87Å; S22-M24 PolarHBondContact OG-N 3.06Å; M24-P26 WeakPolarHBondContact O-CD 3.45Å |
| 25 | S | 64.5 | Low | 63.3 | Low | 63 Ų | 63 | 118.9 Ų | 118.9 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -88.2 | 115.4 | 168.9 | 63.2 | 0 | 0 | 0 | 0 | 108.3 | S22 | S22-S25 PolarHBondContact O-N 2.79Å; S22-S25 PolarHBondContact O-OG 2.91Å |
| 26 | P | 68.2 | Low | 63.9 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143.7 | 166.1 | 25.3 | -32.1 | 0 | 0 | 0 | 107.3 | M24 | M24-P26 WeakPolarHBondContact O-CD 3.45Š|
| 27 | P | 68.4 | Low | 64.7 | Low | 103 Ų | 103 | 122.6 Ų | 122.6 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 135.5 | -179.5 | 21.6 | -32.2 | 0 | 0 | 0 | 107.9 | T29 | P27-T29 PolarHBondContact O-N 3.05Š|
| 28 | P | 62.4 | Low | 65.6 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -55 | 116.6 | 174.3 | 23.6 | -30.8 | 0 | 0 | 0 | 105 | T30 | P28-T30 PolarHBondContact O-N 3.16Å; P28-T30 PolarHBondContact O-OG1 3.37Å |
| 29 | T | 59.3 | Low | 66.3 | Low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | | | trans | -62 | 74.9 | -178.4 | -55.7 | 0 | 0 | 0 | 0 | 108.6 | P27 T31 | P27-T29 PolarHBondContact O-N 3.05Å; T29-T31 WeakPolarHBondContact CG2-OG1 3.13Å; T29-T31 VanDerWaalsContact O-N 3.16Å; T29-T31 PolarHBondContact O-N 3.33Å |
| 30 | T | 59.3 | Low | 67.3 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | | | trans | -89 | 65.4 | 164.8 | -53.8 | 0 | 0 | 0 | 0 | 104.1 | P28 V32 | P28-T30 PolarHBondContact O-N 3.16Å; P28-T30 PolarHBondContact O-OG1 3.37Å; T30-V32 HydrophobicContact CG2-CG2 3.95Å; T30-V32 PolarHBondContact O-N 3.41Å |
| 31 | T | 59.6 | Low | 68.2 | Low | 81 Ų | 81 | 122.7 Ų | 122.7 | 50% | 0.497 | 70% | 0.703 | S | S | . | * | | | trans | -66.4 | 80.3 | 162.9 | -65.2 | 0 | 0 | 0 | 0 | 105.5 | T29 I33 | T29-T31 WeakPolarHBondContact CG2-OG1 3.13Å; T29-T31 VanDerWaalsContact O-N 3.16Å; T29-T31 PolarHBondContact O-N 3.33Å; T31-I33 HydrophobicContact CG2-CB 3.54Å; T31-I33 HydrophobicContact CG2-CD1 3.62Å; T31-I33 HydrophobicContact CG2-CG1 3.37Å; T31-I33 PolarHBondContact O-N 2.99Å; T31-I33 VanDerWaalsContact O-N 3.11Å |
| 32 | V | 61.5 | Low | 69.4 | Low | 131 Ų | 131 | 126.1 Ų | 126.1 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | | | trans | -78.7 | 57.5 | 147.7 | -167.9 | 0 | 0 | 0 | 0 | 106.2 | T30 | T30-V32 HydrophobicContact CG2-CG2 3.95Å; T30-V32 PolarHBondContact O-N 3.41Å |
| 33 | I | 56.6 | Low | 70.3 | Confident | 103 Ų | 103 | 128.7 Ų | 128.7 | 53% | 0.528 | 72% | 0.715 | S | S | . | * | | | trans | -92 | 105.6 | 159 | -47.8 | 178.6 | 0 | 0 | 0 | 101.4 | T31 E35 | T31-I33 HydrophobicContact CG2-CB 3.54Å; T31-I33 HydrophobicContact CG2-CD1 3.62Å; T31-I33 HydrophobicContact CG2-CG1 3.37Å; T31-I33 PolarHBondContact O-N 2.99Å; T31-I33 VanDerWaalsContact O-N 3.11Å; I33-E35 HydrophobicContact CB-CB 4.2Å; I33-E35 HydrophobicContact CG2-CB 3.54Å; I33-E35 HydrophobicContact CG2-CG 4.19Å; I33-E35 PolarHBondContact O-N 3.37Å |
| 34 | A | 60.7 | Low | 71.2 | Confident | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | | | trans | -66.7 | 59 | 153 | 0 | 0 | 0 | 0 | 0 | 107.2 | P36 | A34-P36 WeakPolarHBondContact O-CD 3.47Š|
| 35 | E | 60.6 | Low | 71.7 | Confident | 121 Ų | 121 | 132.5 Ų | 132.5 | 57% | 0.565 | 72% | 0.715 | S | S | * | * | | | trans | -68.2 | 123.9 | 169.6 | -155.7 | -179.5 | 147.5 | 0 | 0 | 103.2 | I33 K37 | I33-E35 HydrophobicContact CB-CB 4.2Å; I33-E35 HydrophobicContact CG2-CB 3.54Å; I33-E35 HydrophobicContact CG2-CG 4.19Å; I33-E35 PolarHBondContact O-N 3.37Å; E35-K37 PolarHBondContact O-N 3.27Å |
| 36 | P | 73.1 | Confident | 72.2 | Confident | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | | | trans | -52.4 | 112.8 | 168.9 | -21.2 | 32 | 0 | 0 | 0 | 106.4 | A34 P38 | A34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-P38 WeakPolarHBondContact O-CD 3.47Å |
| 37 | K | 79.7 | Confident | 72.4 | Confident | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -44.8 | 117.7 | -177.9 | 175.3 | -173.5 | 173.4 | 73.9 | 0 | 107.4 | E35 K39 | E35-K37 PolarHBondContact O-N 3.27Å; K37-K39 PolarHBondContact O-N 2.77Å; K37-K39 VanDerWaalsContact O-N 3.12Å |
| 38 | P | 80.9 | Confident | 72.4 | Confident | 97 Ų | 97 | 142.8 Ų | 142.8 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | trans | -57.1 | 126.7 | -176 | 19.1 | -30.3 | 0 | 0 | 0 | 108.2 | P36 L40 | P36-P38 WeakPolarHBondContact O-CD 3.47Å; P38-L40 PolarHBondContact O-N 3.42Å; P38-L40 VanDerWaalsContact O-N 3.1Å |
| 39 | K | 80.9 | Confident | 72.9 | Confident | 179 Ų | 179 | 144.6 Ų | 144.6 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | | | trans | -71.7 | 112.2 | -178.1 | -169.9 | 149.9 | -175.7 | 161.4 | 0 | 107.6 | K37 F41 | K37-K39 PolarHBondContact O-N 2.77Å; K37-K39 VanDerWaalsContact O-N 3.12Å; K39-F41 PolarHBondContact O-N 2.67Å |
| 40 | L | 84.4 | Confident | 73.6 | Confident | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 124.2 | 172.3 | -174.2 | 63.4 | 0 | 0 | 0 | 108.3 | P38 K42 | P38-L40 PolarHBondContact O-N 3.42Å; P38-L40 VanDerWaalsContact O-N 3.1Å; L40-K42 PolarHBondContact O-N 3.15Å |
| 41 | F | 88.8 | Confident | 74.4 | Confident | 188 Ų | 188 | 147.6 Ų | 147.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 126.5 | 177 | -75.2 | -87.9 | 0 | 0 | 0 | 109 | K39 | K39-F41 PolarHBondContact O-N 2.67Š|
| 42 | K | 85.4 | Confident | 75.3 | Confident | 166 Ų | 166 | 151.5 Ų | 151.5 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 120.4 | 167.5 | -69 | -175 | 177.5 | -177.4 | 0 | 106.5 | L40 Y44 | L40-K42 PolarHBondContact O-N 3.15Å; K42-Y44 PolarHBondContact O-N 3.15Å |
| 43 | P | 87.4 | Confident | 76.2 | Confident | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 135.4 | 174.5 | 22.6 | -30.6 | 0 | 0 | 0 | 109.1 | | |
| 44 | Y | 83.8 | Confident | 77.5 | Confident | 215 Ų | 215 | 156.1 Ų | 156.1 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.9 | 167.5 | -59.5 | -72.7 | 0 | 0 | 0 | 107.4 | K42 T46 | K42-Y44 PolarHBondContact O-N 3.15Å; Y44-T46 PolarHBondContact O-N 3Å |
| 45 | K | 79.9 | Confident | 78.7 | Confident | 209 Ų | 209 | 160.1 Ų | 160.1 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -62.6 | 111.8 | 173 | -68.1 | -161.4 | 179.3 | -174.8 | 0 | 107.4 | E47 | K45-E47 PolarHBondContact O-N 3.39Š|
| 46 | T | 74.3 | Confident | 80 | Confident | 133 Ų | 133 | 163.1 Ų | 163.1 | 82% | 0.816 | 84% | 0.84 | S | S | * | * | | | trans | -79.5 | 103.4 | 162.7 | -51.9 | 0 | 0 | 0 | 0 | 106.1 | Y44 | Y44-T46 PolarHBondContact O-N 3Š|
| 47 | E | 72.8 | Confident | 80.6 | Confident | 191 Ų | 191 | 167.2 Ų | 167.2 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | | | trans | -78 | 126.6 | 159 | -166.1 | -178.1 | -159.8 | 0 | 0 | 106.4 | K45 | K45-E47 PolarHBondContact O-N 3.39Š|
| 48 | A | 69.1 | Low | 80.7 | Confident | 162 Ų | 162 | 165.1 Ų | 165.1 | 100% | 1.339 | 85% | 0.85 | S | S | * | * | | | trans | -113.2 | 0 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |