| 1 | M | 38.3 | Very low | 49 | Very low | 243 Ų | 243 | 140.5 Ų | 140.5 | 100% | 1.197 | 84% | 0.843 | S | S | * | * | | | | 0 | 105.9 | 0 | -96.2 | 138.3 | 106 | 0 | 0 | 108.5 | | |
| 2 | L | 40.3 | Very low | 49.4 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | | | trans | 50.6 | 148.3 | 155.4 | -59 | -176.6 | 0 | 0 | 0 | 123.8 | | |
| 3 | P | 62.4 | Low | 49.9 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | trans | -112.2 | 170.1 | -149.6 | 40.1 | -25.8 | 0 | 0 | 0 | 113.7 | | |
| 4 | A | 45.5 | Very low | 50.5 | Low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -164.5 | 105.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 5 | V | 51.9 | Low | 51.4 | Low | 154 Ų | 154 | 134.7 Ų | 134.7 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | | | | 95.1 | 126.1 | 79.4 | 90 | 0 | 0 | 0 | 0 | 111.6 | | |
| 6 | G | 43.2 | Very low | 52 | Low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | 137.7 | 106 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 7 | S | 46.2 | Very low | 52.5 | Low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | cis | -155.9 | 134.3 | 9.4 | 47.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 8 | A | 54.5 | Low | 53.8 | Low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -62.9 | 135.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 9 | D | 46.2 | Very low | 55 | Low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | | | trans | -162.5 | 65.5 | 140.1 | -149.4 | -133.9 | 0 | 0 | 0 | 107.7 | E11 | D9-E11 WeakPolarHBondContact OD1-CG 3.32Å; D9-E11 PolarHBondContact O-N 2.84Å |
| 10 | E | 57.6 | Low | 56.3 | Low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -72.7 | 90.2 | 151.9 | -68.1 | -175.4 | 115.2 | 0 | 0 | 104.9 | E12 | E10-E12 PolarHBondContact O-N 3.01Š|
| 11 | E | 52.8 | Low | 57.6 | Low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -73.2 | 80.9 | 163.4 | -72.5 | -100.1 | 108.2 | 0 | 0 | 106.6 | D9 D13 | D9-E11 WeakPolarHBondContact OD1-CG 3.32Å; D9-E11 PolarHBondContact O-N 2.84Å; E11-D13 PolarHBondContact O-N 2.7Å |
| 12 | E | 53.4 | Low | 59.3 | Low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -63.4 | 110.9 | 158.4 | -92.6 | -175 | 94.6 | 0 | 0 | 107.2 | E10 P14 | E10-E12 PolarHBondContact O-N 3.01Å; E12-P14 WeakPolarHBondContact O-CD 3.42Å |
| 13 | D | 56.3 | Low | 61.4 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | | | trans | -63.5 | 119.7 | 174.5 | -169 | -69.4 | 0 | 0 | 0 | 108.7 | E11 A15 | E11-D13 PolarHBondContact O-N 2.7Å; D13-A15 PolarHBondContact O-N 3.19Å; D13-A15 WeakPolarHBondContact OD1-CB 3.03Å; D13-A15 PolarHBondContact OD1-N 3.34Å |
| 14 | P | 58.8 | Low | 62.3 | Low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 9 | -175.1 | 29.5 | -35.7 | 0 | 0 | 0 | 113.8 | E12 | E12-P14 WeakPolarHBondContact O-CD 3.42Š|
| 15 | A | 63.3 | Low | 63.8 | Low | 70 Ų | 70 | 135.6 Ų | 135.6 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D13 E17 | D13-A15 PolarHBondContact O-N 3.19Å; D13-A15 WeakPolarHBondContact OD1-CB 3.03Å; D13-A15 PolarHBondContact OD1-N 3.34Å; A15-E17 PolarHBondContact O-N 3.47Å |
| 16 | E | 61.9 | Low | 64.9 | Low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -87.7 | 5.1 | -174 | -59.9 | -144.6 | 110.7 | 0 | 0 | 115.3 | | |
| 17 | E | 60.3 | Low | 66 | Low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -90.3 | 0.3 | -173.9 | -71.2 | -167.8 | 94 | 0 | 0 | 116.2 | A15 | A15-E17 PolarHBondContact O-N 3.47Š|
| 18 | D | 75.2 | Confident | 67 | Low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -140.9 | 36 | -179.2 | -161 | 49.1 | 0 | 0 | 0 | 114.5 | | |
| 19 | C | 76.1 | Confident | 67.2 | Low | 108 Ų | 108 | 142.6 Ų | 142.6 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 119.3 | 168.6 | -74.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 20 | P | 81.9 | Confident | 67.9 | Low | 109 Ų | 109 | 140.6 Ų | 140.6 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.5 | 175.1 | 27.5 | -34 | 0 | 0 | 0 | 111 | L22 | P20-L22 PolarHBondContact O-N 3.33Å; P20-L22 VanDerWaalsContact O-N 3.17Å |
| 21 | E | 82.8 | Confident | 67.9 | Low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 118.1 | 176.4 | -172.6 | 174.1 | 172.7 | 0 | 0 | 110.1 | V23 | E21-V23 PolarHBondContact O-N 2.7Š|
| 22 | L | 75.1 | Confident | 68 | Low | 163 Ų | 163 | 139.8 Ų | 139.8 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | -68.5 | 105.2 | 176.9 | -66.6 | 179.7 | 0 | 0 | 0 | 109.3 | P20 | P20-L22 PolarHBondContact O-N 3.33Å; P20-L22 VanDerWaalsContact O-N 3.17Å |
| 23 | V | 83.6 | Confident | 68 | Low | 111 Ų | 111 | 139.6 Ų | 139.6 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 134.8 | 170.1 | -66.5 | 0 | 0 | 0 | 0 | 110 | E21 I25 | E21-V23 PolarHBondContact O-N 2.7Å; V23-I25 PolarHBondContact O-N 3.01Å |
| 24 | P | 81.5 | Confident | 67.9 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124.1 | 172.7 | -22.6 | 33 | 0 | 0 | 0 | 110.3 | | |
| 25 | I | 77.1 | Confident | 67.8 | Low | 144 Ų | 144 | 146.1 Ų | 146.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 135.4 | 170.8 | 55.9 | 168.1 | 0 | 0 | 0 | 109.3 | V23 T27 | V23-I25 PolarHBondContact O-N 3.01Å; I25-T27 PolarHBondContact O-N 3.23Å |
| 26 | E | 75.6 | Confident | 67.6 | Low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -64.2 | 107.5 | 168 | -69.4 | -168.1 | 146.8 | 0 | 0 | 108.2 | T28 | E26-T28 VanDerWaalsContact O-N 3.14Å; E26-T28 PolarHBondContact O-N 3.14Å |
| 27 | T | 66.8 | Low | 67.6 | Low | 101 Ų | 101 | 141.6 Ų | 141.6 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | | | trans | -73.7 | 104.9 | 173.7 | 49.6 | 0 | 0 | 0 | 0 | 107.7 | I25 Q29 | I25-T27 PolarHBondContact O-N 3.23Å; T27-Q29 PolarHBondContact O-N 2.78Å |
| 28 | T | 65.4 | Low | 67.7 | Low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -72.4 | 72.1 | 158.9 | 47.5 | 0 | 0 | 0 | 0 | 107.3 | E26 S30 | E26-T28 VanDerWaalsContact O-N 3.14Å; E26-T28 PolarHBondContact O-N 3.14Å; T28-S30 PolarHBondContact O-N 2.97Å |
| 29 | Q | 60.5 | Low | 67.2 | Low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | trans | -64.7 | 84.9 | 160.3 | -83.1 | -174.8 | -7.1 | 0 | 0 | 105.8 | T27 E31 | T27-Q29 PolarHBondContact O-N 2.78Å; Q29-E31 VanDerWaalsContact C-N 3.34Å; Q29-E31 PolarHBondContact O-N 2.98Å |
| 30 | S | 60 | Low | 66.9 | Low | 86 Ų | 86 | 135.2 Ų | 135.2 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | | | trans | -54.4 | 113.2 | 151.7 | -71.2 | 0 | 0 | 0 | 0 | 104.5 | T28 E32 E33 | T28-S30 PolarHBondContact O-N 2.97Å; S30-E32 PolarHBondContact O-N 3.26Å; S30-E33 PolarHBondContact O-N 3.08Å |
| 31 | E | 56.7 | Low | 66.4 | Low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 3.4 | 174.2 | -64.6 | 170.1 | 94.3 | 0 | 0 | 113 | Q29 E33 | Q29-E31 VanDerWaalsContact C-N 3.34Å; Q29-E31 PolarHBondContact O-N 2.98Å; E31-E33 VanDerWaalsContact C-N 3.35Å |
| 32 | E | 54.9 | Low | 66.3 | Low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -18 | 176 | -140.7 | 174.2 | 107.5 | 0 | 0 | 113.7 | S30 E34 K35 | S30-E32 PolarHBondContact O-N 3.26Å; E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.17Å; E32-K35 CarbonylContact O-C 3.45Å; E32-K35 PolarHBondContact O-N 3.03Å |
| 33 | E | 54 | Low | 66.6 | Low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -68.4 | -31.8 | 177.1 | -162.7 | 177.7 | 104.5 | 0 | 0 | 112.3 | S30 E31 K35 S36 | S30-E33 PolarHBondContact O-N 3.08Å; E31-E33 VanDerWaalsContact C-N 3.35Å; E33-K35 PolarHBondContact O-N 3.07Å; E33-S36 PolarHBondContact O-OG 3.47Å; E33-S36 VanDerWaalsContact O-OG 3.08Å; E33-S36 PolarHBondContact O-N 2.93Å |
| 34 | E | 53.6 | Low | 66.7 | Low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -74.9 | -12.1 | 175.4 | -64 | -160.6 | 107.7 | 0 | 0 | 113.2 | E32 | E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.17Å |
| 35 | K | 57.2 | Low | 66.9 | Low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -108.3 | 36.8 | 171.7 | -151.2 | -175.9 | -179.8 | -168 | 0 | 111.3 | E32 E33 G37 | E32-K35 CarbonylContact O-C 3.45Å; E32-K35 PolarHBondContact O-N 3.03Å; E33-K35 PolarHBondContact O-N 3.07Å; K35-G37 PolarHBondContact O-N 3.44Å |
| 36 | S | 59.9 | Low | 67.2 | Low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | | | trans | -65.8 | 65.9 | 152.3 | -62.7 | 0 | 0 | 0 | 0 | 108.4 | E33 L38 | E33-S36 PolarHBondContact O-OG 3.47Å; E33-S36 VanDerWaalsContact O-OG 3.08Å; E33-S36 PolarHBondContact O-N 2.93Å; S36-L38 PolarHBondContact O-N 3.2Å |
| 37 | G | 61.3 | Low | 67.6 | Low | 57 Ų | 57 | 134 Ų | 134 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 112.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K35 G39 | K35-G37 PolarHBondContact O-N 3.44Å; G37-G39 VanDerWaalsContact C-N 3.3Å; G37-G39 PolarHBondContact O-N 3.14Å |
| 38 | L | 62.2 | Low | 68.2 | Low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 15 | 78.1 | 178.8 | -74 | 167.5 | 0 | 0 | 0 | 111.2 | S36 A40 | S36-L38 PolarHBondContact O-N 3.2Å; L38-A40 PolarHBondContact O-N 3Å |
| 39 | G | 64.2 | Low | 68.8 | Low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | | | trans | -28.1 | 127.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113 | G37 K41 | G37-G39 VanDerWaalsContact C-N 3.3Å; G37-G39 PolarHBondContact O-N 3.14Å; G39-K41 PolarHBondContact O-N 3.23Å |
| 40 | A | 70.4 | Confident | 69.5 | Low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -18.7 | 107.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 I42 | L38-A40 PolarHBondContact O-N 3Å; A40-I42 PolarHBondContact O-N 3.04Å |
| 41 | K | 72.3 | Confident | 70.1 | Confident | 191 Ų | 191 | 138.6 Ų | 138.6 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -61.4 | 108.1 | 180 | -69.7 | 178.2 | -179 | 177.6 | 0 | 108.4 | G39 P43 | G39-K41 PolarHBondContact O-N 3.23Å; K41-P43 VanDerWaalsContact O-CD 3.32Å; K41-P43 WeakPolarHBondContact O-CD 3.18Å |
| 42 | I | 80.9 | Confident | 70.5 | Confident | 147 Ų | 147 | 135.3 Ų | 135.3 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -67.1 | 117.9 | 176.9 | -58.6 | 170.1 | 0 | 0 | 0 | 107.2 | A40 V44 | A40-I42 PolarHBondContact O-N 3.04Å; I42-V44 VanDerWaalsContact O-N 3.14Å; I42-V44 PolarHBondContact O-N 2.95Å |
| 43 | P | 81.4 | Confident | 71.1 | Confident | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | trans | -70.8 | 111.9 | 179.6 | 27.8 | -32.4 | 0 | 0 | 0 | 109.7 | K41 | K41-P43 VanDerWaalsContact O-CD 3.32Å; K41-P43 WeakPolarHBondContact O-CD 3.18Å |
| 44 | V | 83.8 | Confident | 71.3 | Confident | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | | | trans | -94.2 | 118 | 175 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | I42 I46 | I42-V44 VanDerWaalsContact O-N 3.14Å; I42-V44 PolarHBondContact O-N 2.95Å; V44-I46 HydrophobicContact CG1-CG1 4.35Å |
| 45 | T | 85.9 | Confident | 71.6 | Confident | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -105.8 | 114.6 | 173.6 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | I47 | T45-I47 HydrophobicContact CG2-CG1 4.37Å; T45-I47 PolarHBondContact O-N 3.33Å |
| 46 | I | 85 | Confident | 71.8 | Confident | 149 Ų | 149 | 135.3 Ų | 135.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -88.2 | 106.8 | 177 | -58.1 | 174.3 | 0 | 0 | 0 | 108 | V44 T48 | V44-I46 HydrophobicContact CG1-CG1 4.35Å; I46-T48 PolarHBondContact O-N 3.47Å |
| 47 | I | 82.5 | Confident | 71.6 | Confident | 158 Ų | 158 | 139.2 Ų | 139.2 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -86.4 | 98.4 | 173.8 | -52.7 | 179.6 | 0 | 0 | 0 | 107.5 | T45 | T45-I47 HydrophobicContact CG2-CG1 4.37Å; T45-I47 PolarHBondContact O-N 3.33Å |
| 48 | T | 80.4 | Confident | 71.1 | Confident | 137 Ų | 137 | 144.6 Ų | 144.6 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -89 | 129.5 | 168.4 | -153.9 | 0 | 0 | 0 | 0 | 109.1 | I46 | I46-T48 PolarHBondContact O-N 3.47Š|
| 49 | G | 77.3 | Confident | 71.5 | Confident | 64 Ų | 64 | 143.8 Ų | 143.8 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | trans | -163.4 | 155.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 50 | Y | 75.6 | Confident | 71.9 | Confident | 219 Ų | 219 | 148.2 Ų | 148.2 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -77.9 | 127.2 | 170.2 | -169.5 | -101.3 | 0 | 0 | 0 | 108.7 | V52 | Y50-V52 HydrophobicContact CD1-CG2 4.08Å; Y50-V52 PolarHBondContact O-N 2.84Å |
| 51 | L | 71.8 | Confident | 72 | Confident | 161 Ų | 161 | 151.2 Ų | 151.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -63.6 | 90.3 | -179 | -66.4 | 173 | 0 | 0 | 0 | 110.6 | | |
| 52 | V | 66.6 | Low | 72 | Confident | 103 Ų | 103 | 148.9 Ų | 148.9 | 62% | 0.624 | 80% | 0.802 | S | S | * | * | | | trans | -95 | 102.9 | 163 | -171.9 | 0 | 0 | 0 | 0 | 106.6 | Y50 Q54 | Y50-V52 HydrophobicContact CD1-CG2 4.08Å; Y50-V52 PolarHBondContact O-N 2.84Å; V52-Q54 HydrophobicContact CG1-CG 4.05Å; V52-Q54 PolarHBondContact O-N 2.83Å |
| 53 | I | 67.5 | Low | 71.4 | Confident | 149 Ų | 149 | 149 Ų | 149 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -64.7 | 85.7 | 169.3 | -57.8 | 170.7 | 0 | 0 | 0 | 106.8 | R55 | I53-R55 PolarHBondContact O-N 2.8Š|
| 54 | Q | 56.8 | Low | 70.8 | Confident | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -80 | 102.7 | 163.1 | -74.6 | -72.5 | 49.5 | 0 | 0 | 106.4 | V52 L56 | V52-Q54 HydrophobicContact CG1-CG 4.05Å; V52-Q54 PolarHBondContact O-N 2.83Å; Q54-L56 PolarHBondContact O-N 3.24Å |
| 55 | R | 60.7 | Low | 69.8 | Low | 220 Ų | 220 | 153.4 Ų | 153.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -36.6 | 124.8 | 172.7 | -72.7 | -101 | -178.3 | 130.1 | -2.3 | 109.4 | I53 L57 | I53-R55 PolarHBondContact O-N 2.8Å; R55-L57 VanDerWaalsContact C-N 3.34Å; R55-L57 PolarHBondContact O-N 3.28Å |
| 56 | L | 60.3 | Low | 68.6 | Low | 158 Ų | 158 | 155.9 Ų | 155.9 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -29.5 | 96.4 | 155.5 | -171 | 76.3 | 0 | 0 | 0 | 109.5 | Q54 C58 | Q54-L56 PolarHBondContact O-N 3.24Å; L56-C58 PolarHBondContact O-N 3.24Å |
| 57 | L | 56.4 | Low | 67.2 | Low | 172 Ų | 172 | 156.5 Ų | 156.5 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -87.8 | 92.2 | 169.9 | -161 | 72.9 | 0 | 0 | 0 | 105.3 | R55 | R55-L57 VanDerWaalsContact C-N 3.34Å; R55-L57 PolarHBondContact O-N 3.28Å |
| 58 | C | 51 | Low | 65.9 | Low | 169 Ų | 169 | 156.4 Ų | 156.4 | 100% | 1.142 | 83% | 0.825 | S | S | * | * | | | trans | -54.9 | 0 | 155.7 | -63.4 | 0 | 0 | 0 | 0 | 110 | L56 | L56-C58 PolarHBondContact O-N 3.24Š|