| 1 | M | 43 | Very low | 60.2 | Low | 233 Ų | 233 | 160.4 Ų | 160.4 | 100% | 1.148 | 82% | 0.817 | S | S | * | * | | | | 0 | 103 | 0 | -164.2 | 172.6 | -139.2 | 0 | 0 | 107 | V3 | M1-V3 PolarHBondContact O-N 3.49Š|
| 2 | Q | 54.1 | Low | 60.5 | Low | 185 Ų | 185 | 158 Ų | 158 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -78.1 | 108.5 | -177.5 | -141.8 | 172.7 | 14.1 | 0 | 0 | 107 | M4 | Q2-M4 PolarHBondContact O-N 2.94Š|
| 3 | V | 59.8 | Low | 60.7 | Low | 134 Ų | 134 | 150 Ų | 150 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -74.7 | 94.5 | -176 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | M1 N5 | M1-V3 PolarHBondContact O-N 3.49Å; V3-N5 PolarHBondContact O-N 3.16Å |
| 4 | M | 61.8 | Low | 60.9 | Low | 155 Ų | 155 | 149.2 Ų | 149.2 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -67.1 | 115.7 | 169.2 | -74.4 | -176.6 | 164 | 0 | 0 | 107.7 | Q2 L6 | Q2-M4 PolarHBondContact O-N 2.94Å; M4-L6 PolarHBondContact O-N 3.15Å |
| 5 | N | 60.2 | Low | 61.1 | Low | 117 Ų | 117 | 150.5 Ų | 150.5 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | | | trans | -69.9 | 100 | 175.7 | -170.4 | -20.5 | 0 | 0 | 0 | 108.6 | V3 N7 | V3-N5 PolarHBondContact O-N 3.16Å; N5-N7 PolarHBondContact O-N 2.98Å; N5-N7 PolarHBondContact OD1-N 2.92Å |
| 6 | L | 61.4 | Low | 61.2 | Low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -4.6 | -176.3 | -69.8 | 164.4 | 0 | 0 | 0 | 113.7 | M4 | M4-L6 PolarHBondContact O-N 3.15Š|
| 7 | N | 61.9 | Low | 61.5 | Low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 9 | -177 | -77.3 | -8.5 | 0 | 0 | 0 | 114.2 | N5 P9 | N5-N7 PolarHBondContact O-N 2.98Å; N5-N7 PolarHBondContact OD1-N 2.92Å; N7-P9 WeakPolarHBondContact O-CD 3.39Å |
| 8 | V | 63.4 | Low | 61.7 | Low | 101 Ų | 101 | 154.3 Ų | 154.3 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -81.3 | 116.4 | 171.1 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | M10 | V8-M10 PolarHBondContact O-N 2.68Š|
| 9 | P | 64.6 | Low | 61.7 | Low | 115 Ų | 115 | 155.9 Ų | 155.9 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | trans | -60.8 | 111.1 | 173.6 | 24.4 | -31 | 0 | 0 | 0 | 107.7 | N7 R11 | N7-P9 WeakPolarHBondContact O-CD 3.39Å; P9-R11 PolarHBondContact O-N 2.87Å |
| 10 | M | 65 | Low | 61.6 | Low | 183 Ų | 183 | 152.4 Ų | 152.4 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | trans | -57 | 104.6 | 169.1 | -94.9 | -170.4 | 164.3 | 0 | 0 | 106.9 | V8 P12 | V8-M10 PolarHBondContact O-N 2.68Å; M10-P12 VanDerWaalsContact O-CD 3.32Å; M10-P12 WeakPolarHBondContact O-CD 3.32Å; M10-P12 VanDerWaalsContact O-N 3.14Å |
| 11 | R | 66.8 | Low | 61.7 | Low | 230 Ų | 230 | 154.5 Ų | 154.5 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -55.9 | 121.3 | 173.4 | -170.5 | 176.9 | -173.7 | 172.1 | 1.9 | 106.4 | P9 G13 | P9-R11 PolarHBondContact O-N 2.87Å; R11-G13 PolarHBondContact O-N 2.92Å |
| 12 | P | 64.3 | Low | 62.6 | Low | 132 Ų | 132 | 151.2 Ų | 151.2 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -76.1 | 63.3 | 177.2 | 31.7 | -33.3 | 0 | 0 | 0 | 108.6 | M10 | M10-P12 VanDerWaalsContact O-CD 3.32Å; M10-P12 WeakPolarHBondContact O-CD 3.32Å; M10-P12 VanDerWaalsContact O-N 3.14Å |
| 13 | G | 63.4 | Low | 62.8 | Low | 54 Ų | 54 | 148.7 Ų | 148.7 | 56% | 0.557 | 77% | 0.773 | S | S | * | * | | | trans | -99.9 | 79.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | R11 | R11-G13 PolarHBondContact O-N 2.92Š|
| 14 | I | 62.9 | Low | 62.8 | Low | 139 Ų | 139 | 150.2 Ų | 150.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | 40.8 | 98.9 | 162 | -46.7 | 169.2 | 0 | 0 | 0 | 112.6 | V16 | I14-V16 HydrophobicContact CG2-CB 4.45Å; I14-V16 PolarHBondContact O-N 2.92Å; I14-V16 HydrophobicContact CG2-CG2 3.37Å; I14-V16 HydrophobicContact CB-CG2 4.05Å |
| 15 | L | 63.3 | Low | 63 | Low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -59.9 | 80.7 | 156.8 | -80.5 | 165.1 | 0 | 0 | 0 | 107.9 | Q17 | L15-Q17 PolarHBondContact O-N 2.73Š|
| 16 | V | 62.6 | Low | 62.9 | Low | 107 Ų | 107 | 147.3 Ų | 147.3 | 65% | 0.648 | 78% | 0.779 | S | S | * | * | | | trans | -70.4 | 92.7 | 169 | -178.5 | 0 | 0 | 0 | 0 | 104.5 | I14 R18 | I14-V16 HydrophobicContact CG2-CB 4.45Å; I14-V16 PolarHBondContact O-N 2.92Å; I14-V16 HydrophobicContact CG2-CG2 3.37Å; I14-V16 HydrophobicContact CB-CG2 4.05Å; V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 3.26Å |
| 17 | Q | 66.2 | Low | 62.8 | Low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -54.9 | 106 | 163.1 | -68.1 | -176.3 | 54.6 | 0 | 0 | 105.8 | L15 Q19 | L15-Q17 PolarHBondContact O-N 2.73Å; Q17-Q19 PolarHBondContact O-N 2.88Å |
| 18 | R | 66.4 | Low | 62.3 | Low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -63 | 105 | 170.3 | -66.2 | -173 | -179.4 | -162.1 | 0.1 | 105.4 | V16 S20 | V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 3.26Å; R18-S20 PolarHBondContact O-N 3.21Å; R18-S20 VanDerWaalsContact O-N 3.15Å |
| 19 | Q | 61.1 | Low | 62.3 | Low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -59.2 | 120.6 | 169.1 | -75.5 | -175.2 | -24.9 | 0 | 0 | 107 | Q17 K21 | Q17-Q19 PolarHBondContact O-N 2.88Å; Q19-K21 PolarHBondContact O-N 3.01Å; Q19-K21 VanDerWaalsContact O-N 3.16Å |
| 20 | S | 60.3 | Low | 62.2 | Low | 84 Ų | 84 | 154.4 Ų | 154.4 | 59% | 0.587 | 81% | 0.813 | S | S | * | * | | | trans | -54.3 | 120.1 | 174.8 | -170.9 | 0 | 0 | 0 | 0 | 108 | R18 E22 | R18-S20 PolarHBondContact O-N 3.21Å; R18-S20 VanDerWaalsContact O-N 3.15Å; S20-E22 PolarHBondContact O-N 3.24Å; S20-E22 PolarHBondContact OG-OE2 2.99Å |
| 21 | K | 63.9 | Low | 62 | Low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -80.1 | 62.9 | 175 | -161.8 | -175.1 | -175.3 | -172.8 | 0 | 108.7 | Q19 | Q19-K21 PolarHBondContact O-N 3.01Å; Q19-K21 VanDerWaalsContact O-N 3.16Å |
| 22 | E | 60.8 | Low | 61.7 | Low | 164 Ų | 164 | 148.2 Ų | 148.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -116.1 | 50.7 | 173.2 | -73.9 | -178.8 | 119.1 | 0 | 0 | 110 | S20 | S20-E22 PolarHBondContact O-N 3.24Å; S20-E22 PolarHBondContact OG-OE2 2.99Å |
| 23 | V | 59.7 | Low | 61.6 | Low | 132 Ų | 132 | 149.3 Ų | 149.3 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | -141.3 | 64.1 | 162.9 | -169.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 24 | L | 59.2 | Low | 61.5 | Low | 167 Ų | 167 | 155.6 Ų | 155.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -113.8 | 67.9 | 161.9 | -167.9 | 82.7 | 0 | 0 | 0 | 108.2 | | |
| 25 | A | 64.8 | Low | 61.4 | Low | 86 Ų | 86 | 156.8 Ų | 156.8 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | | | trans | -154.1 | 62.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P27 | A25-P27 WeakPolarHBondContact O-CD 3.33Š|
| 26 | T | 59.4 | Low | 61.2 | Low | 124 Ų | 124 | 155.8 Ų | 155.8 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | | | trans | -88.6 | 108 | 151.5 | 41 | 0 | 0 | 0 | 0 | 106.7 | L28 | T26-L28 PolarHBondContact O-N 3.27Š|
| 27 | P | 58.5 | Low | 61.1 | Low | 123 Ų | 123 | 159.9 Ų | 159.9 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | | | trans | -67.9 | 129.3 | 163.6 | 29.6 | -29.7 | 0 | 0 | 0 | 107.5 | A25 | A25-P27 WeakPolarHBondContact O-CD 3.33Š|
| 28 | L | 52.9 | Low | 60.6 | Low | 244 Ų | 244 | 158.6 Ų | 158.6 | 100% | 1.277 | 84% | 0.836 | S | S | * | * | | | trans | -79.1 | 0 | 161.7 | -72.8 | 172.7 | 0 | 0 | 0 | 108.8 | T26 | T26-L28 PolarHBondContact O-N 3.27Š|