| 1 | M | 53.3 | Low | 62.3 | Low | 244 Ų | 244 | 157.5 Ų | 157.5 | 100% | 1.202 | 79% | 0.788 | S | S | * | * | | | | 0 | 100.8 | 0 | -149.9 | 142.8 | 67.3 | 0 | 0 | 106.7 | | |
| 2 | K | 56.3 | Low | 62.8 | Low | 201 Ų | 201 | 153.7 Ų | 153.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -89 | 127.7 | 179.1 | -71.1 | 174.9 | 178.1 | 162.2 | 0 | 106.5 | D4 | K2-D4 VanDerWaalsContact O-N 3.1Å; K2-D4 PolarHBondContact O-N 2.94Å |
| 3 | P | 62.7 | Low | 63 | Low | 124 Ų | 124 | 148.8 Ų | 148.8 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | trans | -68.5 | 113.6 | 175.4 | 27.9 | -29.6 | 0 | 0 | 0 | 107 | R5 | P3-R5 PolarHBondContact O-N 3.07Š|
| 4 | D | 58.2 | Low | 63.7 | Low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | -58.1 | 120.1 | 165.3 | -174.8 | -106.5 | 0 | 0 | 0 | 106.6 | K2 E6 | K2-D4 VanDerWaalsContact O-N 3.1Å; K2-D4 PolarHBondContact O-N 2.94Å; D4-E6 PolarHBondContact O-N 2.85Å |
| 5 | R | 66.1 | Low | 63.7 | Low | 218 Ų | 218 | 147.3 Ų | 147.3 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | | | trans | -76.6 | 77.9 | -173.9 | -173.3 | -178.4 | 175.6 | 154.9 | -0.2 | 107.6 | P3 T7 | P3-R5 PolarHBondContact O-N 3.07Å; R5-T7 PolarHBondContact O-N 2.75Å |
| 6 | E | 63.7 | Low | 63.7 | Low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -61.7 | 92.1 | 165 | -67.1 | -162.1 | 99.7 | 0 | 0 | 107.2 | D4 R8 | D4-E6 PolarHBondContact O-N 2.85Å; E6-R8 PolarHBondContact O-N 2.91Å |
| 7 | T | 62.6 | Low | 63.9 | Low | 97 Ų | 97 | 140.8 Ų | 140.8 | 60% | 0.595 | 76% | 0.763 | S | S | * | * | | | trans | -72.2 | 78.8 | 171.4 | -58.1 | 0 | 0 | 0 | 0 | 106 | R5 S9 | R5-T7 PolarHBondContact O-N 2.75Å; T7-S9 VanDerWaalsContact C-N 3.3Å; T7-S9 PolarHBondContact O-N 3.28Å |
| 8 | R | 61.2 | Low | 63.8 | Low | 191 Ų | 191 | 143.6 Ų | 143.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -62.9 | 97.5 | 171.3 | 179.6 | 175.7 | -84.4 | 174.2 | -5.9 | 106.5 | E6 H10 | E6-R8 PolarHBondContact O-N 2.91Å; R8-H10 WeakPolarHBondContact CD-CE1 3.3Å; R8-H10 PolarHBondContact O-CD2 2.93Å; R8-H10 PolarHBondContact O-N 2.89Å |
| 9 | S | 67.1 | Low | 64 | Low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 96.4 | 176.7 | -65.5 | 0 | 0 | 0 | 0 | 109 | T7 S11 | T7-S9 VanDerWaalsContact C-N 3.3Å; T7-S9 PolarHBondContact O-N 3.28Å; S9-S11 PolarHBondContact O-N 2.91Å |
| 10 | H | 65.9 | Low | 63.8 | Low | 147 Ų | 147 | 145.4 Ų | 145.4 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | | | trans | -76.1 | 76.2 | 173.5 | -65 | -80.4 | 0 | 0 | 0 | 109.2 | R8 V12 | R8-H10 WeakPolarHBondContact CD-CE1 3.3Å; R8-H10 PolarHBondContact O-CD2 2.93Å; R8-H10 PolarHBondContact O-N 2.89Å; H10-V12 PolarHBondContact O-N 2.74Å |
| 11 | S | 67.7 | Low | 63.7 | Low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -74.6 | 94.8 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | S9 A13 | S9-S11 PolarHBondContact O-N 2.91Å; S11-A13 PolarHBondContact O-N 3.45Å |
| 12 | V | 68.4 | Low | 64.4 | Low | 111 Ų | 111 | 134.9 Ų | 134.9 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | | | trans | -77.7 | 103.5 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | H10 Q14 | H10-V12 PolarHBondContact O-N 2.74Å; V12-Q14 VanDerWaalsContact C-N 3.34Å; V12-Q14 HydrophobicContact CG1-CG 4.36Å; V12-Q14 PolarHBondContact O-N 3.04Å |
| 13 | A | 65.9 | Low | 64.8 | Low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | | | trans | -66.7 | 96.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | S11 | S11-A13 PolarHBondContact O-N 3.45Š|
| 14 | Q | 72.6 | Confident | 65 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 58% | 0.584 | 72% | 0.724 | S | S | * | * | | | trans | -72.1 | 130.6 | 173.1 | -68 | -167.7 | -37.7 | 0 | 0 | 108.9 | V12 G16 L17 | V12-Q14 VanDerWaalsContact C-N 3.34Å; V12-Q14 HydrophobicContact CG1-CG 4.36Å; V12-Q14 PolarHBondContact O-N 3.04Å; Q14-G16 PolarHBondContact O-N 2.95Å; Q14-L17 PolarHBondContact O-N 3.2Å; Q14-L17 HydrophobicContact CB-CB 4.07Å |
| 15 | P | 63.2 | Low | 65.4 | Low | 149 Ų | 149 | 131 Ų | 131 | 97% | 0.968 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 6.6 | -173.5 | 23.9 | -32.5 | 0 | 0 | 0 | 115.7 | | |
| 16 | G | 64.4 | Low | 65.4 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | -7.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q14 K18 | Q14-G16 PolarHBondContact O-N 2.95Å; G16-K18 VanDerWaalsContact C-N 3.35Å; G16-K18 PolarHBondContact O-N 3.25Å |
| 17 | L | 67.1 | Low | 65.5 | Low | 113 Ų | 113 | 124.8 Ų | 124.8 | 59% | 0.592 | 72% | 0.722 | S | S | * | * | | | trans | -85 | 83.5 | 177.8 | -168.8 | 67.1 | 0 | 0 | 0 | 107.8 | Q14 L19 | Q14-L17 PolarHBondContact O-N 3.2Å; Q14-L17 HydrophobicContact CB-CB 4.07Å; L17-L19 PolarHBondContact O-N 3.01Å |
| 18 | K | 62.2 | Low | 65.6 | Low | 192 Ų | 192 | 125.9 Ų | 125.9 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | | | trans | -56.9 | 107.1 | 164.7 | -83.5 | -175 | 178.7 | -171.1 | 0 | 106.5 | G16 M20 | G16-K18 VanDerWaalsContact C-N 3.35Å; G16-K18 PolarHBondContact O-N 3.25Å; K18-M20 PolarHBondContact O-N 2.93Å |
| 19 | L | 67.4 | Low | 65.9 | Low | 147 Ų | 147 | 121 Ų | 121 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | -61.5 | 88.9 | 171.6 | -149.2 | 96.2 | 0 | 0 | 0 | 105.9 | L17 S21 | L17-L19 PolarHBondContact O-N 3.01Å; L19-S21 PolarHBondContact O-N 3.02Å |
| 20 | M | 60.4 | Low | 65.7 | Low | 175 Ų | 175 | 125 Ų | 125 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | | | trans | -57.8 | 112 | 167.8 | -82.8 | -175.1 | 64.1 | 0 | 0 | 104.5 | K18 S22 | K18-M20 PolarHBondContact O-N 2.93Å; M20-S22 PolarHBondContact O-N 2.87Å |
| 21 | S | 61 | Low | 65.7 | Low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | -42.4 | 113.6 | 178.4 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | L19 S23 | L19-S21 PolarHBondContact O-N 3.02Å; S21-S23 PolarHBondContact O-N 2.83Å; S21-S23 PolarHBondContact OG-OG 2.78Å; S21-S23 PolarHBondContact O-OG 2.98Å |
| 22 | S | 67.6 | Low | 65.5 | Low | 76 Ų | 76 | 124.9 Ų | 124.9 | 53% | 0.531 | 77% | 0.768 | S | S | . | * | | | trans | -70.3 | 76 | 179.3 | 173 | 0 | 0 | 0 | 0 | 107.9 | M20 N24 | M20-S22 PolarHBondContact O-N 2.87Å; S22-N24 PolarHBondContact O-N 2.79Å |
| 23 | S | 66.3 | Low | 65.4 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 10.9 | -176.7 | -64 | 0 | 0 | 0 | 0 | 113.3 | S21 | S21-S23 PolarHBondContact O-N 2.83Å; S21-S23 PolarHBondContact OG-OG 2.78Å; S21-S23 PolarHBondContact O-OG 2.98Å |
| 24 | N | 65.5 | Low | 65.4 | Low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 60.6 | 171.3 | -65.9 | -58.8 | 0 | 0 | 0 | 109.2 | S22 | S22-N24 PolarHBondContact O-N 2.79Š|
| 25 | L | 66.8 | Low | 64.9 | Low | 136 Ų | 136 | 127.9 Ų | 127.9 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125.5 | 159.9 | -69.8 | 167.9 | 0 | 0 | 0 | 106.1 | V27 | L25-V27 PolarHBondContact O-N 2.82Š|
| 26 | P | 65.8 | Low | 65 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.7 | 169.7 | 24.2 | -30.8 | 0 | 0 | 0 | 105.8 | S28 | P26-S28 PolarHBondContact O-N 3.1Š|
| 27 | V | 66.9 | Low | 65.1 | Low | 135 Ų | 135 | 130.4 Ų | 130.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 119.8 | 173.2 | 92.6 | 0 | 0 | 0 | 0 | 104.9 | L25 A29 | L25-V27 PolarHBondContact O-N 2.82Å; V27-A29 VanDerWaalsContact C-N 3.29Å; V27-A29 PolarHBondContact O-N 3.31Å |
| 28 | S | 65.1 | Low | 64.9 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -63.7 | 100.3 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 105.8 | P26 S30 | P26-S28 PolarHBondContact O-N 3.1Å; S28-S30 PolarHBondContact O-N 3.23Å |
| 29 | A | 66.4 | Low | 65.1 | Low | 89 Ų | 89 | 126.8 Ų | 126.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -65.4 | 123.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | V27 | V27-A29 VanDerWaalsContact C-N 3.29Å; V27-A29 PolarHBondContact O-N 3.31Å |
| 30 | S | 62.5 | Low | 64.9 | Low | 187 Ų | 187 | 124.9 Ų | 124.9 | 100% | 1.308 | 79% | 0.789 | S | S | * | * | | | trans | -81 | 0 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | S28 | S28-S30 PolarHBondContact O-N 3.23Š|