| 1 | T | 59.5 | Low | 59.4 | Low | 198 Ų | 198 | 131.7 Ų | 131.7 | 100% | 1.215 | 76% | 0.763 | S | S | * | * | | | | 0 | 106.4 | 0 | 34.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 2 | Q | 47.8 | Very low | 59.8 | Low | 153 Ų | 153 | 130.4 Ų | 130.4 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | trans | -162.4 | 150.1 | 161.6 | -145.5 | -178.8 | 3.9 | 0 | 0 | 108.1 | P4 | Q2-P4 VanDerWaalsContact CD-CG 3.48Å; Q2-P4 HydrophobicContact CG-CB 4.35Å; Q2-P4 HydrophobicContact CG-CG 4.18Å; Q2-P4 VanDerWaalsContact NE2-CB 3.28Å; Q2-P4 VanDerWaalsContact CD-CD 3.43Å |
| 3 | P | 51.4 | Low | 60.1 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | | -126.6 | 124 | 117.8 | 33.2 | -26.1 | 0 | 0 | 0 | 110.7 | N5 | P3-N5 PolarHBondContact O-N 3.29Š|
| 4 | P | 59.5 | Low | 60.6 | Low | 100 Ų | 100 | 127.7 Ų | 127.7 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -84.7 | 27.5 | 170.3 | 29.8 | -23.6 | 0 | 0 | 0 | 112 | Q2 | Q2-P4 VanDerWaalsContact CD-CG 3.48Å; Q2-P4 HydrophobicContact CG-CB 4.35Å; Q2-P4 HydrophobicContact CG-CG 4.18Å; Q2-P4 VanDerWaalsContact NE2-CB 3.28Å; Q2-P4 VanDerWaalsContact CD-CD 3.43Å |
| 5 | N | 58.3 | Low | 60.9 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | trans | -141.2 | 71.3 | 179.4 | -146.9 | -25.9 | 0 | 0 | 0 | 108.9 | P3 | P3-N5 PolarHBondContact O-N 3.29Š|
| 6 | A | 58.3 | Low | 61.3 | Low | 84 Ų | 84 | 121.7 Ų | 121.7 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -129.3 | 15.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 7 | E | 59.7 | Low | 61.3 | Low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -123.5 | -8.3 | -175.3 | -56.8 | -118.3 | 106.5 | 0 | 0 | 112.9 | | |
| 8 | E | 63.9 | Low | 61.5 | Low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.3 | 11.8 | -175.6 | -67.1 | -166.1 | 93.4 | 0 | 0 | 115.6 | | |
| 9 | E | 59.4 | Low | 61.6 | Low | 173 Ų | 173 | 129.5 Ų | 129.5 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | | | trans | -110.6 | 55.3 | 157.3 | -155.6 | -154.2 | 96.7 | 0 | 0 | 110.4 | G11 | E9-G11 PolarHBondContact O-N 2.84Š|
| 10 | S | 65.9 | Low | 61.8 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | | | trans | -68 | 63.7 | 147.5 | -80.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 11 | G | 69.5 | Low | 62.1 | Low | 52 Ų | 52 | 128.8 Ų | 128.8 | 54% | 0.536 | 75% | 0.75 | S | S | . | * | | | trans | -117.4 | 38.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E9 | E9-G11 PolarHBondContact O-N 2.84Š|
| 12 | S | 64.1 | Low | 62.8 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | trans | -121.8 | 81.6 | 161.6 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | S14 | S12-S14 PolarHBondContact O-N 2.77Š|
| 13 | S | 64.1 | Low | 64.3 | Low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | -35.2 | 124.6 | 166.4 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | A15 | S13-A15 PolarHBondContact O-N 3.34Š|
| 14 | S | 66.4 | Low | 65.5 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | | | trans | -68.7 | 49 | 169.5 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | S12 S16 | S12-S14 PolarHBondContact O-N 2.77Å; S14-S16 PolarHBondContact O-N 3.44Å |
| 15 | A | 65.8 | Low | 66.4 | Low | 67 Ų | 67 | 129.7 Ų | 129.7 | 55% | 0.554 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 81.5 | 180 | 0 | 0 | 0 | 0 | 0 | 108.8 | S13 | S13-A15 PolarHBondContact O-N 3.34Š|
| 16 | S | 66.8 | Low | 67.4 | Low | 92 Ų | 92 | 130.3 Ų | 130.3 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.9 | 3.3 | 153.7 | -87.1 | 0 | 0 | 0 | 0 | 116.6 | S14 | S14-S16 PolarHBondContact O-N 3.44Š|
| 17 | E | 62.2 | Low | 68.4 | Low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -15 | 179.2 | -153.1 | 120.7 | 93.2 | 0 | 0 | 113.8 | | |
| 18 | E | 63.7 | Low | 69.3 | Low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -12.5 | -179.7 | -58.9 | -145.1 | 98.3 | 0 | 0 | 114.2 | T21 | E18-T21 PolarHBondContact O-OG1 3.3Š|
| 19 | E | 63.6 | Low | 69.9 | Low | 159 Ų | 159 | 139.1 Ų | 139.1 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -16.3 | -178.5 | -62.5 | -158.5 | 101.5 | 0 | 0 | 114.1 | T21 K22 | E19-T21 PolarHBondContact O-N 3.25Å; E19-K22 PolarHBondContact O-N 3.01Å |
| 20 | D | 65.3 | Low | 70.9 | Confident | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 4.8 | 171.5 | -159.3 | -102.9 | 0 | 0 | 0 | 112.6 | K22 | D20-K22 VanDerWaalsContact C-N 3.28Š|
| 21 | T | 68 | Low | 71.3 | Confident | 113 Ų | 113 | 143.7 Ų | 143.7 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -4.9 | 168.6 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | E18 E19 P23 | E18-T21 PolarHBondContact O-OG1 3.3Å; E19-T21 PolarHBondContact O-N 3.25Å; T21-P23 WeakPolarHBondContact O-CD 3.29Å; T21-P23 VanDerWaalsContact O-N 3.12Å; T21-P23 VanDerWaalsContact O-CD 3.29Å |
| 22 | K | 76 | Confident | 71.4 | Confident | 176 Ų | 176 | 144.6 Ų | 144.6 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -63.3 | 118.2 | 177 | -168.5 | 173 | -172.5 | 171.6 | 0 | 108.9 | E19 D20 K24 | E19-K22 PolarHBondContact O-N 3.01Å; D20-K22 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 2.7Å |
| 23 | P | 77.6 | Confident | 71.5 | Confident | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.3 | -179.1 | 20.9 | -30.5 | 0 | 0 | 0 | 108.9 | T21 | T21-P23 WeakPolarHBondContact O-CD 3.29Å; T21-P23 VanDerWaalsContact O-N 3.12Å; T21-P23 VanDerWaalsContact O-CD 3.29Å |
| 24 | K | 78 | Confident | 71.7 | Confident | 162 Ų | 162 | 144 Ų | 144 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 131.7 | 173.1 | -71.7 | -179.7 | 173.1 | 70.9 | 0 | 107.3 | K22 T26 | K22-K24 PolarHBondContact O-N 2.7Å; K24-T26 PolarHBondContact O-N 2.95Å |
| 25 | P | 78 | Confident | 71.9 | Confident | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 117.2 | 178.4 | -24.2 | 31.2 | 0 | 0 | 0 | 109 | K27 | P25-K27 PolarHBondContact O-N 3.23Š|
| 26 | T | 78.1 | Confident | 71.9 | Confident | 128 Ų | 128 | 146.5 Ų | 146.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 126.2 | 179 | 59 | 0 | 0 | 0 | 0 | 106.7 | K24 R28 | K24-T26 PolarHBondContact O-N 2.95Å; T26-R28 PolarHBondContact O-N 3.05Å |
| 27 | K | 80.6 | Confident | 71.9 | Confident | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 90 | 174 | -73 | 177.2 | -178.9 | 159.1 | 0 | 107.2 | P25 K29 | P25-K27 PolarHBondContact O-N 3.23Å; K27-K29 PolarHBondContact O-N 2.92Å |
| 28 | R | 78.8 | Confident | 72.3 | Confident | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | trans | -59 | 110.8 | 179.2 | -167.2 | 170.2 | 47.6 | 139.1 | -0.3 | 106.6 | T26 R30 | T26-R28 PolarHBondContact O-N 3.05Å; R28-R30 PolarHBondContact O-N 2.96Å |
| 29 | K | 75.1 | Confident | 72.8 | Confident | 185 Ų | 185 | 141.9 Ų | 141.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -61.8 | 105.9 | 172 | -65.8 | -72 | -175.4 | 172.2 | 0 | 105.4 | K27 K31 | K27-K29 PolarHBondContact O-N 2.92Å; K29-K31 PolarHBondContact O-N 3.21Å |
| 30 | R | 80.8 | Confident | 73.2 | Confident | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | -56 | 109.4 | 170 | 179.2 | 172.5 | 60.5 | 162.4 | -0 | 106 | R28 G32 | R28-R30 PolarHBondContact O-N 2.96Å; R30-G32 PolarHBondContact O-N 3.38Å |
| 31 | K | 75.8 | Confident | 73.6 | Confident | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -59.4 | 126.8 | 162.4 | -70.5 | -66.5 | -175.2 | 176.7 | 0 | 105 | K29 S33 | K29-K31 PolarHBondContact O-N 3.21Å; K31-S33 PolarHBondContact O-N 2.89Å |
| 32 | G | 70.1 | Confident | 73.8 | Confident | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | -42.8 | 127.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | R30 S34 | R30-G32 PolarHBondContact O-N 3.38Å; G32-S34 PolarHBondContact O-N 3Å |
| 33 | S | 66.9 | Low | 73.7 | Confident | 84 Ų | 84 | 145.4 Ų | 145.4 | 59% | 0.587 | 82% | 0.817 | S | S | * | * | | | trans | -49.4 | 114.9 | 172 | -51.9 | 0 | 0 | 0 | 0 | 107.4 | K31 A35 | K31-S33 PolarHBondContact O-N 2.89Å; S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 PolarHBondContact O-N 3.22Å |
| 34 | S | 69.4 | Low | 73.5 | Confident | 120 Ų | 120 | 147.4 Ų | 147.4 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | | | trans | -66.2 | 97.4 | 167 | 55 | 0 | 0 | 0 | 0 | 105.8 | G32 V36 | G32-S34 PolarHBondContact O-N 3Å; S34-V36 PolarHBondContact O-N 3.26Å |
| 35 | A | 70 | Confident | 73.2 | Confident | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | | | trans | -59.5 | 122.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | S33 G37 | S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 PolarHBondContact O-N 3.22Å; A35-G37 PolarHBondContact O-N 2.92Å |
| 36 | V | 64.8 | Low | 72.9 | Confident | 153 Ų | 153 | 147.8 Ų | 147.8 | 93% | 0.927 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -52.3 | 129.2 | 168.8 | 104.9 | 0 | 0 | 0 | 0 | 107.6 | S34 | S34-V36 PolarHBondContact O-N 3.26Š|
| 37 | G | 67.9 | Low | 72.6 | Confident | 67 Ų | 67 | 149.1 Ų | 149.1 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | | | trans | 130.6 | 50.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | A35 | A35-G37 PolarHBondContact O-N 2.92Š|
| 38 | S | 70.7 | Confident | 72 | Confident | 131 Ų | 131 | 145.6 Ų | 145.6 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | | | trans | -110.1 | 46.2 | 150.3 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 39 | D | 72.5 | Confident | 71.5 | Confident | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | | | trans | -104.7 | 96.3 | 162.7 | -167.3 | -103 | 0 | 0 | 0 | 106.3 | | |
| 40 | S | 72.6 | Confident | 71.2 | Confident | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -163.9 | 92.5 | 160.3 | -79.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 41 | D | 73 | Confident | 70.3 | Confident | 245 Ų | 245 | 128.9 Ų | 128.9 | 100% | 1.31 | 84% | 0.835 | S | S | * | * | | | trans | 45.9 | 0 | 155.3 | -140.8 | -116.6 | 0 | 0 | 0 | 119.4 | | |