| 1 | A | 46.5 | Very low | 62.7 | Low | 155 Ų | 155 | 128.5 Ų | 128.5 | 100% | 1.281 | 80% | 0.804 | S | S | * | * | | | | 0 | 117.2 | 0 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 2 | A | 52.3 | Low | 63.3 | Low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | G4 | A2-G4 PolarHBondContact O-N 3.32Š|
| 3 | A | 53.3 | Low | 63.6 | Low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S5 | A3-S5 PolarHBondContact O-N 2.97Å; A3-S5 VanDerWaalsContact O-N 3.16Å |
| 4 | G | 54.7 | Low | 63.6 | Low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 117.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A2 R6 | A2-G4 PolarHBondContact O-N 3.32Å; G4-R6 PolarHBondContact O-N 3.16Å |
| 5 | S | 63.7 | Low | 63.9 | Low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -54.8 | 105.6 | 165.6 | -55.2 | 0 | 0 | 0 | 0 | 108 | A3 E7 | A3-S5 PolarHBondContact O-N 2.97Å; A3-S5 VanDerWaalsContact O-N 3.16Å; S5-E7 PolarHBondContact O-N 2.96Å |
| 6 | R | 62.7 | Low | 64.4 | Low | 236 Ų | 236 | 131.6 Ų | 131.6 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 87.7 | 170.2 | -76.1 | 170.5 | 70.4 | 159.3 | 0.4 | 106.8 | G4 T8 | G4-R6 PolarHBondContact O-N 3.16Å; R6-T8 PolarHBondContact O-N 2.95Å |
| 7 | E | 68.5 | Low | 64.9 | Low | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | trans | -50.4 | 107.3 | 171.1 | -55 | -74.2 | 89.9 | 0 | 0 | 107.6 | S5 P9 | S5-E7 PolarHBondContact O-N 2.96Å; E7-P9 WeakPolarHBondContact O-CD 3.43Å |
| 8 | T | 74.1 | Confident | 65.7 | Low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 121.3 | 169.8 | -59.9 | 0 | 0 | 0 | 0 | 105.8 | R6 L10 | R6-T8 PolarHBondContact O-N 2.95Å; T8-L10 PolarHBondContact O-N 3.26Å |
| 9 | P | 70.8 | Confident | 66.6 | Low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -60.2 | 113.8 | 179.5 | 22.5 | -30.4 | 0 | 0 | 0 | 108.4 | E7 N11 | E7-P9 WeakPolarHBondContact O-CD 3.43Å; P9-N11 PolarHBondContact O-N 2.94Å |
| 10 | L | 72.9 | Confident | 67.5 | Low | 154 Ų | 154 | 134.7 Ų | 134.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -62.5 | 123.4 | 176 | -178.8 | 64.9 | 0 | 0 | 0 | 107.6 | T8 Q12 | T8-L10 PolarHBondContact O-N 3.26Å; L10-Q12 PolarHBondContact O-N 2.96Å |
| 11 | N | 70.6 | Confident | 68.3 | Low | 89 Ų | 89 | 134.3 Ų | 134.3 | 48% | 0.476 | 78% | 0.778 | S | S | . | * | | | trans | -59.2 | 109 | 178.5 | -175.8 | -22.4 | 0 | 0 | 0 | 109.6 | P9 E13 S14 | P9-N11 PolarHBondContact O-N 2.94Å; N11-E13 PolarHBondContact O-N 3.29Å; N11-E13 VanDerWaalsContact OD1-CB 3.25Å; N11-E13 WeakPolarHBondContact OD1-CB 3.42Å; N11-E13 PolarHBondContact OD1-N 3.49Å; N11-S14 PolarHBondContact O-N 3.24Å |
| 12 | Q | 69 | Low | 70.2 | Confident | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -69.6 | -16.1 | -178.1 | -63.5 | -170.1 | 33.5 | 0 | 0 | 113.1 | L10 S14 A15 | L10-Q12 PolarHBondContact O-N 2.96Å; Q12-S14 VanDerWaalsContact C-N 3.3Å; Q12-S14 PolarHBondContact O-N 3.23Å; Q12-A15 PolarHBondContact O-N 3.3Å; Q12-A15 WeakPolarHBondContact O-CB 3.25Å |
| 13 | E | 67.1 | Low | 71.9 | Confident | 147 Ų | 147 | 132 Ų | 132 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -66.1 | -34.9 | 174.1 | -71.8 | 175.3 | 55.3 | 0 | 0 | 111.6 | N11 A15 R16 | N11-E13 PolarHBondContact O-N 3.29Å; N11-E13 VanDerWaalsContact OD1-CB 3.25Å; N11-E13 WeakPolarHBondContact OD1-CB 3.42Å; N11-E13 PolarHBondContact OD1-N 3.49Å; E13-A15 PolarHBondContact O-N 2.87Å; E13-R16 PolarHBondContact O-N 3.3Å |
| 14 | S | 64.5 | Low | 73.7 | Confident | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -70.4 | -16.1 | 175.8 | -56 | 0 | 0 | 0 | 0 | 113.3 | N11 Q12 R16 | N11-S14 PolarHBondContact O-N 3.24Å; Q12-S14 VanDerWaalsContact C-N 3.3Å; Q12-S14 PolarHBondContact O-N 3.23Å; S14-R16 VanDerWaalsContact C-N 3.3Å |
| 15 | A | 67.1 | Low | 75.2 | Confident | 74 Ų | 74 | 141.2 Ų | 141.2 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -80.7 | -11.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q12 E13 K17 | Q12-A15 PolarHBondContact O-N 3.3Å; Q12-A15 WeakPolarHBondContact O-CB 3.25Å; E13-A15 PolarHBondContact O-N 2.87Å; A15-K17 PolarHBondContact O-N 3.33Å |
| 16 | R | 72.3 | Confident | 76.4 | Confident | 203 Ų | 203 | 146.3 Ų | 146.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -77.4 | 114.3 | 175.9 | -60 | -172.7 | -168.1 | -122.4 | 3.6 | 109.2 | E13 S14 S18 | E13-R16 PolarHBondContact O-N 3.3Å; S14-R16 VanDerWaalsContact C-N 3.3Å; R16-S18 PolarHBondContact O-N 3.2Å |
| 17 | K | 72.9 | Confident | 77.7 | Confident | 201 Ų | 201 | 143.6 Ų | 143.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 118.3 | 167.6 | -61.1 | -62.9 | -176.2 | -176.1 | 0 | 107.4 | A15 | A15-K17 PolarHBondContact O-N 3.33Š|
| 18 | S | 79.4 | Confident | 78.5 | Confident | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.6 | 172 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | R16 | R16-S18 PolarHBondContact O-N 3.2Š|
| 19 | E | 83.6 | Confident | 78.9 | Confident | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.5 | 172.8 | -167.7 | 168.8 | 130.4 | 0 | 0 | 109.7 | | |
| 20 | P | 83.3 | Confident | 79.1 | Confident | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 143.6 | 173.3 | 23.9 | -31.9 | 0 | 0 | 0 | 110 | | |
| 21 | P | 84.3 | Confident | 78.8 | Confident | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 147.7 | 179.8 | 24.2 | -33.2 | 0 | 0 | 0 | 111.2 | | |
| 22 | A | 88 | Confident | 78.5 | Confident | 83 Ų | 83 | 143 Ų | 143 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 142.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V24 | A22-V24 PolarHBondContact O-N 3.27Š|
| 23 | P | 87 | Confident | 78.3 | Confident | 129 Ų | 129 | 139.6 Ų | 139.6 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 126.5 | 177.9 | -22.6 | 32 | 0 | 0 | 0 | 111.7 | | |
| 24 | V | 90.3 | Very high | 78.3 | Confident | 142 Ų | 142 | 142.2 Ų | 142.2 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -89 | 126.9 | 176.5 | -176 | 0 | 0 | 0 | 0 | 109.6 | A22 | A22-V24 PolarHBondContact O-N 3.27Š|
| 25 | R | 87.9 | Confident | 78.4 | Confident | 216 Ų | 216 | 143.6 Ų | 143.6 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 126.7 | 175 | -65.6 | 178.8 | 65.6 | -110.6 | 0.7 | 110.1 | | |
| 26 | R | 89.2 | Confident | 78.3 | Confident | 207 Ų | 207 | 150.4 Ų | 150.4 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67 | 132.2 | 168.5 | -93 | 179.5 | 62.9 | -92.3 | -2.1 | 110.1 | | |
| 27 | Q | 88.4 | Confident | 77.8 | Confident | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 125.8 | 166.7 | -63.9 | -173.2 | -1.8 | 0 | 0 | 108.8 | | |
| 28 | S | 86.6 | Confident | 77 | Confident | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 120.5 | 167 | -64.9 | 0 | 0 | 0 | 0 | 107.7 | S30 | S28-S30 PolarHBondContact O-N 2.76Š|
| 29 | Y | 81.4 | Confident | 76.8 | Confident | 222 Ų | 222 | 150.2 Ų | 150.2 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 123.3 | 166.2 | -134.7 | -99.6 | 0 | 0 | 0 | 107.5 | S31 | Y29-S31 VanDerWaalsContact O-N 3.13Å; Y29-S31 PolarHBondContact O-N 2.95Å |
| 30 | S | 76.1 | Confident | 76.5 | Confident | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | -71.1 | 105.5 | 169.8 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | S28 T32 | S28-S30 PolarHBondContact O-N 2.76Å; S30-T32 PolarHBondContact O-N 3.13Å |
| 31 | S | 65.1 | Low | 76.1 | Confident | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -71.9 | 85.5 | 164.6 | -63.1 | 0 | 0 | 0 | 0 | 107.2 | Y29 S33 | Y29-S31 VanDerWaalsContact O-N 3.13Å; Y29-S31 PolarHBondContact O-N 2.95Å; S31-S33 PolarHBondContact O-N 3.23Å |
| 32 | T | 64.8 | Low | 75.6 | Confident | 119 Ų | 119 | 152.9 Ų | 152.9 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | | | trans | -68.3 | 90.7 | 151.6 | 42.7 | 0 | 0 | 0 | 0 | 105.6 | S30 R34 | S30-T32 PolarHBondContact O-N 3.13Å; T32-R34 PolarHBondContact O-N 3.41Å |
| 33 | S | 66 | Low | 74.8 | Confident | 94 Ų | 94 | 157.3 Ų | 157.3 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | | | trans | -57.8 | 92.2 | 155.8 | -71.6 | 0 | 0 | 0 | 0 | 105 | S31 D35 | S31-S33 PolarHBondContact O-N 3.23Å; S33-D35 PolarHBondContact O-N 2.93Å |
| 34 | R | 66 | Low | 74 | Confident | 203 Ų | 203 | 159.1 Ų | 159.1 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -66.9 | 92 | 163.9 | -162.7 | 179 | -124.1 | -117.7 | 2.1 | 102.5 | T32 W36 | T32-R34 PolarHBondContact O-N 3.41Å; R34-W36 PolarHBondContact O-N 3.45Å |
| 35 | D | 66.3 | Low | 72.9 | Confident | 132 Ų | 132 | 160.4 Ų | 160.4 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | -49.6 | 95.9 | 166.2 | -73.5 | -68 | 0 | 0 | 0 | 106 | S33 H37 | S33-D35 PolarHBondContact O-N 2.93Å; D35-H37 PolarHBondContact O-CD2 2.73Å; D35-H37 PolarHBondContact O-N 2.87Å |
| 36 | W | 64.8 | Low | 71.7 | Confident | 217 Ų | 217 | 156.1 Ų | 156.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -69.3 | 93.7 | 171.1 | -96.4 | 99.4 | 0 | 0 | 0 | 104.5 | R34 A38 | R34-W36 PolarHBondContact O-N 3.45Å; W36-A38 PolarHBondContact O-N 2.96Å |
| 37 | H | 63.2 | Low | 70.3 | Confident | 183 Ų | 183 | 151.8 Ų | 151.8 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | | | trans | -51.5 | 121.9 | 166.6 | -73.6 | -87.4 | 0 | 0 | 0 | 108.9 | D35 | D35-H37 PolarHBondContact O-CD2 2.73Å; D35-H37 PolarHBondContact O-N 2.87Å |
| 38 | A | 54.4 | Low | 68.6 | Low | 174 Ų | 174 | 149.3 Ų | 149.3 | 100% | 1.438 | 81% | 0.811 | S | S | * | * | | | trans | -123.9 | 0 | 165 | 0 | 0 | 0 | 0 | 0 | 108.1 | W36 | W36-A38 PolarHBondContact O-N 2.96Š|