| 1 | M | 41.5 | Very low | 49.5 | Very low | 249 Ų | 249 | 159.4 Ų | 159.4 | 100% | 1.227 | 82% | 0.816 | S | S | * | * | | | | 0 | 116.3 | 0 | -67.7 | 169.9 | 94.3 | 0 | 0 | 108.7 | | |
| 2 | R | 45.1 | Very low | 48.9 | Very low | 210 Ų | 210 | 151.9 Ų | 151.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -87.7 | 116.4 | -176.5 | -175.5 | -177.6 | 179 | -171.2 | -2.5 | 109.1 | Q4 | R2-Q4 HydrophobicContact CG-CG 3.89Å; R2-Q4 VanDerWaalsContact NE-CG 3.35Å; R2-Q4 VanDerWaalsContact NH1-NE2 3.13Å; R2-Q4 VanDerWaalsContact NH2-NE2 3.2Å |
| 3 | R | 55.4 | Low | 49 | Very low | 241 Ų | 241 | 154.2 Ų | 154.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -94.6 | 102.1 | 159 | -73.2 | -170.2 | -179.1 | -145.8 | 1 | 107.4 | T5 | R3-T5 PolarHBondContact O-N 2.95Š|
| 4 | Q | 53.5 | Low | 49 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 63% | 0.631 | 81% | 0.805 | S | S | * | * | | | trans | -73.9 | 111.4 | 166.1 | -63.2 | -177.3 | 2 | 0 | 0 | 107.4 | R2 | R2-Q4 HydrophobicContact CG-CG 3.89Å; R2-Q4 VanDerWaalsContact NE-CG 3.35Å; R2-Q4 VanDerWaalsContact NH1-NE2 3.13Å; R2-Q4 VanDerWaalsContact NH2-NE2 3.2Å |
| 5 | T | 50.3 | Low | 49.1 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -133 | 92.1 | 157.5 | 12.8 | 0 | 0 | 0 | 0 | 104.9 | R3 P7 | R3-T5 PolarHBondContact O-N 2.95Å; T5-P7 WeakPolarHBondContact O-CD 3.4Å |
| 6 | S | 47.5 | Very low | 49.5 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -68.5 | 111.6 | 163.7 | -155 | 0 | 0 | 0 | 0 | 105.6 | R8 | S6-R8 PolarHBondContact O-N 2.94Š|
| 7 | P | 54.9 | Low | 49.6 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -68.7 | 110.7 | 168.8 | -8 | 26.9 | 0 | 0 | 0 | 105.2 | T5 | T5-P7 WeakPolarHBondContact O-CD 3.4Š|
| 8 | R | 47.9 | Very low | 49.6 | Very low | 225 Ų | 225 | 150.2 Ų | 150.2 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | | | trans | -35.5 | 130.7 | 167.3 | -172.7 | 173.8 | -177.1 | 168.6 | -0.5 | 109.4 | S6 | S6-R8 PolarHBondContact O-N 2.94Š|
| 9 | P | 46.1 | Very low | 49.4 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 147 | -178.4 | 24.1 | -32.3 | 0 | 0 | 0 | 109.3 | S11 | P9-S11 PolarHBondContact O-N 2.98Š|
| 10 | P | 51.1 | Low | 49.4 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 116.9 | -172.5 | 20 | -32 | 0 | 0 | 0 | 108.3 | G12 | P10-G12 PolarHBondContact O-N 2.85Š|
| 11 | S | 51.3 | Low | 49.1 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 117.9 | -179.8 | 49.6 | 0 | 0 | 0 | 0 | 107.7 | P9 Q13 | P9-S11 PolarHBondContact O-N 2.98Å; S11-Q13 PolarHBondContact O-N 3.43Å |
| 12 | G | 42.4 | Very low | 49.5 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -41.9 | 133.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P10 | P10-G12 PolarHBondContact O-N 2.85Š|
| 13 | Q | 49.4 | Very low | 49.7 | Very low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -45 | 142.3 | 175.5 | -66.6 | -168.3 | -44.6 | 0 | 0 | 110.4 | S11 D15 | S11-Q13 PolarHBondContact O-N 3.43Å; Q13-D15 PolarHBondContact O-N 3.04Å; Q13-D15 VanDerWaalsContact O-N 3.13Å |
| 14 | P | 49.2 | Very low | 49.5 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -51.5 | 124.2 | -175.1 | 22 | -33.4 | 0 | 0 | 0 | 109.3 | L16 | P14-L16 VanDerWaalsContact C-N 3.34Å; P14-L16 PolarHBondContact O-N 2.97Å |
| 15 | D | 51 | Low | 49.6 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | | | trans | -58.7 | 96.6 | -179 | -164.1 | 4.4 | 0 | 0 | 0 | 108.8 | Q13 K17 | Q13-D15 PolarHBondContact O-N 3.04Å; Q13-D15 VanDerWaalsContact O-N 3.13Å; D15-K17 PolarHBondContact O-N 2.99Å |
| 16 | L | 56 | Low | 49.4 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 1.5 | -179.4 | -84.9 | 159.1 | 0 | 0 | 0 | 112.4 | P14 | P14-L16 VanDerWaalsContact C-N 3.34Å; P14-L16 PolarHBondContact O-N 2.97Å |
| 17 | K | 51 | Low | 49.4 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -14.5 | 179.6 | -82.4 | 179.7 | 172.6 | 177.2 | 0 | 114.6 | D15 W19 | D15-K17 PolarHBondContact O-N 2.99Å; K17-W19 PolarHBondContact O-N 3.07Å |
| 18 | T | 48.7 | Very low | 49.4 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -97.7 | 51.9 | -179.8 | -33.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 19 | W | 46.8 | Very low | 49.7 | Very low | 216 Ų | 216 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -125.5 | 49.9 | 151.3 | -160 | -43.3 | 0 | 0 | 0 | 109 | K17 | K17-W19 PolarHBondContact O-N 3.07Š|
| 20 | S | 48.7 | Very low | 50.2 | Low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -91.1 | 94.9 | 162.8 | 60.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 21 | G | 43.7 | Very low | 50.5 | Low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 110 | 63.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 22 | R | 48.9 | Very low | 50.9 | Low | 220 Ų | 220 | 146.5 Ų | 146.5 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -98.5 | 102.1 | 141.6 | -155.8 | 172 | -144 | -118.1 | 3.3 | 107.6 | | |
| 23 | R | 50.4 | Low | 51.4 | Low | 226 Ų | 226 | 151.6 Ų | 151.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -39.8 | 141.9 | 178.3 | -66.7 | 174.6 | 166.8 | -158.4 | -5.4 | 111.1 | A25 | R23-A25 PolarHBondContact O-N 3.33Š|
| 24 | Q | 51.5 | Low | 51.8 | Low | 200 Ų | 200 | 148.8 Ų | 148.8 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | | | trans | -54.6 | 85.3 | 159.4 | -67 | -139 | 11.3 | 0 | 0 | 108.8 | G26 | Q24-G26 PolarHBondContact O-N 3.39Š|
| 25 | A | 54.4 | Low | 52.2 | Low | 87 Ų | 87 | 150.6 Ų | 150.6 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | -76.2 | 84.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | R23 G27 | R23-A25 PolarHBondContact O-N 3.33Å; A25-G27 PolarHBondContact O-N 2.77Å |
| 26 | G | 46.8 | Very low | 52.1 | Low | 86 Ų | 86 | 148.4 Ų | 148.4 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -58.3 | 93.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q24 | Q24-G26 PolarHBondContact O-N 3.39Š|
| 27 | G | 46.8 | Very low | 51.7 | Low | 59 Ų | 59 | 148.4 Ų | 148.4 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | trans | -176.1 | 117.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111 | A25 | A25-G27 PolarHBondContact O-N 2.77Š|
| 28 | Y | 55.9 | Low | 51.7 | Low | 226 Ų | 226 | 146.5 Ų | 146.5 | 89% | 0.886 | 80% | 0.801 | S | S | * | * | | | trans | 69.3 | 98 | 172.4 | -97.9 | -102 | 0 | 0 | 0 | 116.3 | P30 | Y28-P30 VanDerWaalsContact O-CD 3.23Å; Y28-P30 WeakPolarHBondContact O-CD 3.15Å |
| 29 | L | 54.5 | Low | 51.9 | Low | 172 Ų | 172 | 146.9 Ų | 146.9 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -66.9 | 113.8 | 152.8 | -69.4 | 171.2 | 0 | 0 | 0 | 107.6 | A31 | L29-A31 PolarHBondContact O-N 3.05Š|
| 30 | P | 55.6 | Low | 51.9 | Low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -88.8 | 96.2 | 176.1 | 32 | -22.8 | 0 | 0 | 0 | 108.2 | Y28 | Y28-P30 VanDerWaalsContact O-CD 3.23Å; Y28-P30 WeakPolarHBondContact O-CD 3.15Å |
| 31 | A | 58 | Low | 51.9 | Low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -156.8 | 82.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L29 | L29-A31 PolarHBondContact O-N 3.05Š|
| 32 | R | 59.4 | Low | 52.1 | Low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -106.5 | 98.2 | 147.4 | 54.4 | 173.9 | 161.7 | -168.8 | -5.6 | 107.6 | V34 | R32-V34 PolarHBondContact O-N 3.31Š|
| 33 | M | 51.8 | Low | 52 | Low | 176 Ų | 176 | 144.5 Ų | 144.5 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -71.9 | 111.6 | 169.8 | -158.3 | -176.6 | -40.1 | 0 | 0 | 106.1 | I35 | M33-I35 PolarHBondContact O-N 3.27Š|
| 34 | V | 59.4 | Low | 51.8 | Low | 122 Ų | 122 | 137.6 Ų | 137.6 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | | | trans | -73.6 | 108.8 | 176.7 | -167.8 | 0 | 0 | 0 | 0 | 106.2 | R32 G36 | R32-V34 PolarHBondContact O-N 3.31Å; V34-G36 PolarHBondContact O-N 3.13Å |
| 35 | I | 56.9 | Low | 51.2 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.7 | 169.7 | -62.8 | 173.2 | 0 | 0 | 0 | 105.4 | M33 E37 | M33-I35 PolarHBondContact O-N 3.27Å; I35-E37 PolarHBondContact O-N 3.37Å |
| 36 | G | 48.3 | Very low | 51 | Low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 118.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V34 | V34-G36 PolarHBondContact O-N 3.13Š|
| 37 | E | 47.6 | Very low | 51 | Low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 136.3 | 162.4 | -72.3 | 176.2 | 166.9 | 0 | 0 | 107.8 | I35 | I35-E37 PolarHBondContact O-N 3.37Š|
| 38 | D | 50.7 | Low | 51.2 | Low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | 68.6 | 82.4 | 160.3 | -58.9 | -18.1 | 0 | 0 | 0 | 119.1 | | |
| 39 | V | 53.6 | Low | 50.8 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | trans | -113.4 | 75.7 | 139.1 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | T41 | V39-T41 HydrophobicContact CG1-CG2 4.16Å; V39-T41 PolarHBondContact O-N 3.13Å |
| 40 | C | 46.9 | Very low | 50.4 | Low | 109 Ų | 109 | 139 Ų | 139 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 83 | 159.2 | -62.7 | 0 | 0 | 0 | 0 | 108.1 | E42 | C40-E42 VanDerWaalsContact C-N 3.35Å; C40-E42 PolarHBondContact O-N 2.8Å |
| 41 | T | 49.6 | Very low | 49.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | -96.6 | 83.4 | 159.9 | 28.6 | 0 | 0 | 0 | 0 | 107.2 | V39 N43 | V39-T41 HydrophobicContact CG1-CG2 4.16Å; V39-T41 PolarHBondContact O-N 3.13Å; T41-N43 PolarHBondContact O-N 2.96Å |
| 42 | E | 46.3 | Very low | 49.7 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -44.7 | 85.2 | 151.3 | -174.6 | -177.9 | -165.3 | 0 | 0 | 108.8 | C40 | C40-E42 VanDerWaalsContact C-N 3.35Å; C40-E42 PolarHBondContact O-N 2.8Å |
| 43 | N | 48 | Very low | 49.3 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | trans | -107.6 | 73.2 | 156.4 | -133.5 | -0.7 | 0 | 0 | 0 | 106.3 | T41 G45 | T41-N43 PolarHBondContact O-N 2.96Å; N43-G45 PolarHBondContact O-N 3.31Å |
| 44 | A | 45.2 | Very low | 48.7 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | trans | -53.8 | 121.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 45 | G | 39.3 | Very low | 47.9 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | | | trans | 69.7 | 80.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | N43 | N43-G45 PolarHBondContact O-N 3.31Š|
| 46 | A | 51.2 | Low | 47.3 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -151.5 | 122.7 | 138.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 47 | Q | 46.3 | Very low | 47.2 | Very low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | | | trans | 78.2 | 69.3 | 167.6 | -74.1 | 154.8 | 10.1 | 0 | 0 | 116.9 | F49 | Q47-F49 HydrophobicContact CB-CD2 3.74Å; Q47-F49 HydrophobicContact CB-CE2 3.79Å; Q47-F49 HydrophobicContact CG-CD2 4.11Å; Q47-F49 HydrophobicContact CG-CE2 3.67Å; Q47-F49 HydrophobicContact CG-CZ 4.44Å; Q47-F49 PolarHBondContact O-N 3.14Å |
| 48 | L | 50.1 | Low | 47.3 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | trans | -58.6 | 85.6 | 139.1 | -72.6 | 164.3 | 0 | 0 | 0 | 108.4 | E50 | L48-E50 PolarHBondContact O-N 3.33Š|
| 49 | F | 48.8 | Very low | 47.6 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | -75.2 | 112.4 | 158.1 | -85.4 | -81 | 0 | 0 | 0 | 107 | Q47 H51 | Q47-F49 HydrophobicContact CB-CD2 3.74Å; Q47-F49 HydrophobicContact CB-CE2 3.79Å; Q47-F49 HydrophobicContact CG-CD2 4.11Å; Q47-F49 HydrophobicContact CG-CE2 3.67Å; Q47-F49 HydrophobicContact CG-CZ 4.44Å; Q47-F49 PolarHBondContact O-N 3.14Å; F49-H51 PolarHBondContact O-N 3.36Å |
| 50 | E | 45.6 | Very low | 47.6 | Very low | 184 Ų | 184 | 128 Ų | 128 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -64.3 | 115.3 | 174.2 | -73.2 | -160 | 155.5 | 0 | 0 | 111.2 | L48 | L48-E50 PolarHBondContact O-N 3.33Š|
| 51 | H | 44.3 | Very low | 48 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | | | trans | 21 | 107.2 | 150.6 | -71.6 | -97.5 | 0 | 0 | 0 | 120 | F49 | F49-H51 PolarHBondContact O-N 3.36Š|
| 52 | P | 55.1 | Low | 48.1 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -82.9 | 121.5 | 148.9 | 31.4 | -27.3 | 0 | 0 | 0 | 110.5 | | |
| 53 | S | 49.4 | Very low | 48.6 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 27.2 | 114.2 | 148.5 | -170.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 54 | G | 41.1 | Very low | 49 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | 70 | 76.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | G56 | G54-G56 PolarHBondContact O-N 3.32Š|
| 55 | S | 42 | Very low | 49.6 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | -73.1 | 120.4 | 167.6 | 46.1 | 0 | 0 | 0 | 0 | 112 | | |
| 56 | G | 43.4 | Very low | 50.5 | Low | 63 Ų | 63 | 145.1 Ų | 145.1 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | | | trans | -154.1 | 126.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G54 | G54-G56 PolarHBondContact O-N 3.32Š|
| 57 | P | 47.4 | Very low | 50.9 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | -85.7 | 127.4 | -146.5 | 32.4 | -33.8 | 0 | 0 | 0 | 113.2 | L59 | P57-L59 VanDerWaalsContact C-N 3.29Å; P57-L59 PolarHBondContact O-N 3.48Å |
| 58 | V | 48.8 | Very low | 51.6 | Low | 138 Ų | 138 | 144.1 Ų | 144.1 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -73.3 | 88.8 | 165.2 | -179 | 0 | 0 | 0 | 0 | 107.7 | S60 | V58-S60 PolarHBondContact O-N 3.22Š|
| 59 | L | 58.2 | Low | 52.2 | Low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -65.5 | 88.1 | 162.6 | -69.7 | 173.2 | 0 | 0 | 0 | 107.4 | P57 K61 | P57-L59 VanDerWaalsContact C-N 3.29Å; P57-L59 PolarHBondContact O-N 3.48Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 3.12Å |
| 60 | S | 52.5 | Low | 52.9 | Low | 90 Ų | 90 | 142.6 Ų | 142.6 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | -63.7 | 98.7 | 166.8 | -157.9 | 0 | 0 | 0 | 0 | 106.7 | V58 E62 | V58-S60 PolarHBondContact O-N 3.22Å; S60-E62 PolarHBondContact O-N 3.46Å |
| 61 | K | 55.7 | Low | 54 | Low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -70.5 | 42.5 | 174.8 | -69.7 | -178.7 | 178.9 | 174.8 | 0 | 110.7 | L59 R63 | L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 3.12Å; K61-R63 PolarHBondContact O-N 3Å |
| 62 | E | 51.9 | Low | 55.3 | Low | 116 Ų | 116 | 134.2 Ų | 134.2 | 54% | 0.542 | 76% | 0.756 | S | S | . | * | | | trans | -76.7 | 86.9 | 175.2 | -145.8 | 169.2 | 176.1 | 0 | 0 | 106.8 | S60 P64 R65 | S60-E62 PolarHBondContact O-N 3.46Å; E62-P64 VanDerWaalsContact O-N 3.16Å; E62-R65 IonicContact OE1-CZ 3.24Å; E62-R65 VanDerWaalsContact OE1-CZ 3.24Å; E62-R65 IonicContact OE1-NH1 2.99Å; E62-R65 PolarHBondContact OE1-NH1 3.25Å; E62-R65 IonicContact OE1-NH2 2.75Å; E62-R65 PolarHBondContact OE1-NH2 3.36Å |
| 63 | R | 56.8 | Low | 56.2 | Low | 224 Ų | 224 | 138.9 Ų | 138.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | -45.8 | 125.3 | 174 | -156.8 | 179.1 | -170.5 | 174.7 | 3.4 | 106.3 | K61 R65 | K61-R63 PolarHBondContact O-N 3Å; R63-R65 PolarHBondContact O-N 3.18Å |
| 64 | P | 56.1 | Low | 57.5 | Low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -49.4 | 113.5 | -176.9 | -25.8 | 31.2 | 0 | 0 | 0 | 107.7 | E62 R66 | E62-P64 VanDerWaalsContact O-N 3.16Å; P64-R66 VanDerWaalsContact C-N 3.35Å; P64-R66 PolarHBondContact O-N 2.89Å |
| 65 | R | 57.4 | Low | 59.3 | Low | 196 Ų | 196 | 138.3 Ų | 138.3 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | | | trans | -54.3 | 111.7 | 170.9 | -69.1 | -171.8 | -178.2 | 87.1 | 10.7 | 103.1 | E62 R63 A67 | E62-R65 IonicContact OE1-CZ 3.24Å; E62-R65 VanDerWaalsContact OE1-CZ 3.24Å; E62-R65 IonicContact OE1-NH1 2.99Å; E62-R65 PolarHBondContact OE1-NH1 3.25Å; E62-R65 IonicContact OE1-NH2 2.75Å; E62-R65 PolarHBondContact OE1-NH2 3.36Å; R63-R65 PolarHBondContact O-N 3.18Å; R65-A67 PolarHBondContact O-N 3.48Å |
| 66 | R | 57.8 | Low | 61.1 | Low | 235 Ų | 235 | 136 Ų | 136 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | | | trans | -48 | 113.6 | 172.6 | -90.3 | -178.4 | 172.6 | 177.3 | -2.1 | 103.6 | P64 T68 | P64-R66 VanDerWaalsContact C-N 3.35Å; P64-R66 PolarHBondContact O-N 2.89Å; R66-T68 VanDerWaalsContact C-N 3.3Å; R66-T68 PolarHBondContact O-N 2.75Å |
| 67 | A | 59.9 | Low | 63 | Low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | | | trans | -53.4 | 108.2 | 177 | 0 | 0 | 0 | 0 | 0 | 104.6 | R65 R69 | R65-A67 PolarHBondContact O-N 3.48Å; A67-R69 PolarHBondContact O-N 3.05Å |
| 68 | T | 62.3 | Low | 64.5 | Low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 68% | 0.678 | S | S | * | * | | | trans | -61.6 | 99.6 | 175.4 | -62.7 | 0 | 0 | 0 | 0 | 103.3 | R66 P70 | R66-T68 VanDerWaalsContact C-N 3.3Å; R66-T68 PolarHBondContact O-N 2.75Å; T68-P70 WeakPolarHBondContact O-CD 3.36Å; T68-P70 VanDerWaalsContact O-N 3.12Å |
| 69 | R | 61.7 | Low | 66 | Low | 220 Ų | 220 | 134.6 Ų | 134.6 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | | | trans | -56.2 | 124.8 | 177.3 | -91.7 | -176.5 | 171.5 | -179.3 | -2.3 | 105 | A67 | A67-R69 PolarHBondContact O-N 3.05Š|
| 70 | P | 64 | Low | 67.1 | Low | 99 Ų | 99 | 133.3 Ų | 133.3 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | | | trans | -52.7 | 145.7 | 172.1 | 21.3 | -30.4 | 0 | 0 | 0 | 107.9 | T68 C72 | T68-P70 WeakPolarHBondContact O-CD 3.36Å; T68-P70 VanDerWaalsContact O-N 3.12Å; P70-C72 PolarHBondContact O-N 3.31Å |
| 71 | P | 69 | Low | 68.3 | Low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | | | trans | -53.4 | 105.9 | 178.5 | 21.9 | -32.1 | 0 | 0 | 0 | 108.1 | R73 | P71-R73 PolarHBondContact O-N 2.72Š|
| 72 | C | 70.5 | Confident | 69.2 | Low | 68 Ų | 68 | 126 Ų | 126 | 46% | 0.459 | 61% | 0.611 | S | S | . | * | | | trans | -95.4 | 86.8 | -168.7 | -154.5 | 0 | 0 | 0 | 0 | 105.5 | P70 F74 A75 D76 | P70-C72 PolarHBondContact O-N 3.31Å; C72-F74 PolarHBondContact O-N 3Å; C72-A75 HydrophobicContact CB-CB 3.98Å; C72-A75 WeakPolarHBondContact O-CA 3.31Å; C72-A75 WeakPolarHBondContact O-CB 3.44Å; C72-A75 PolarHBondContact O-N 3.4Å; C72-D76 PolarHBondContact O-N 2.99Å |
| 73 | R | 74.1 | Confident | 70.2 | Confident | 221 Ų | 221 | 129 Ų | 129 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -49.4 | -33.3 | -174.4 | -69.1 | -166 | 176.8 | -176.6 | -0.1 | 113.2 | P71 Y77 | P71-R73 PolarHBondContact O-N 2.72Å; R73-Y77 WeakPolarHBondContact O-CB 3.34Å; R73-Y77 PolarHBondContact O-N 3.48Å |
| 74 | F | 77.2 | Confident | 70.8 | Confident | 147 Ų | 147 | 123.8 Ų | 123.8 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 176.6 | -173 | -108.5 | 0 | 0 | 0 | 113.2 | C72 Y77 I78 | C72-F74 PolarHBondContact O-N 3Å; F74-Y77 PolarHBondContact O-N 3.46Å; F74-I78 HydrophobicContact CD1-CD1 3.83Å; F74-I78 HydrophobicContact CE1-CD1 3.4Å; F74-I78 HydrophobicContact CE1-CG1 4.38Å; F74-I78 HydrophobicContact CZ-CD1 3.79Å; F74-I78 HydrophobicContact CZ-CG1 4.43Å; F74-I78 WeakPolarHBondContact O-CG1 3.45Å; F74-I78 PolarHBondContact O-N 3.21Å; F74-I78 VanDerWaalsContact O-N 3.07Å |
| 75 | A | 78.7 | Confident | 70.9 | Confident | 37 Ų | 37 | 126.7 Ų | 126.7 | 31% | 0.306 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.5 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | C72 I78 I79 | C72-A75 HydrophobicContact CB-CB 3.98Å; C72-A75 WeakPolarHBondContact O-CA 3.31Å; C72-A75 WeakPolarHBondContact O-CB 3.44Å; C72-A75 PolarHBondContact O-N 3.4Å; A75-I78 PolarHBondContact O-N 2.83Å; A75-I79 VanDerWaalsContact O-CG1 3.27Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 3.41Å |
| 76 | D | 80.2 | Confident | 71 | Confident | 84 Ų | 84 | 125.4 Ų | 125.4 | 45% | 0.449 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.6 | -44.4 | 176.4 | -61.6 | -33.6 | 0 | 0 | 0 | 110.9 | C72 I78 I79 E80 | C72-D76 PolarHBondContact O-N 2.99Å; D76-I78 PolarHBondContact O-N 2.98Å; D76-I79 PolarHBondContact O-N 3.26Å; D76-E80 VanDerWaalsContact O-CB 3.31Å; D76-E80 WeakPolarHBondContact O-CB 3.3Å; D76-E80 PolarHBondContact O-N 3.07Å |
| 77 | Y | 82.2 | Confident | 71 | Confident | 143 Ų | 143 | 120.5 Ų | 120.5 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.4 | -43.2 | 174.4 | 172.7 | -104.8 | 0 | 0 | 0 | 113 | R73 F74 E80 T81 | R73-Y77 WeakPolarHBondContact O-CB 3.34Å; R73-Y77 PolarHBondContact O-N 3.48Å; F74-Y77 PolarHBondContact O-N 3.46Å; Y77-E80 PolarHBondContact O-N 2.96Å; Y77-T81 VanDerWaalsContact O-CB 3.31Å; Y77-T81 WeakPolarHBondContact O-CB 3.27Å; Y77-T81 PolarHBondContact O-N 3.01Å; Y77-T81 PolarHBondContact O-OG1 2.96Å |
| 78 | I | 80.3 | Confident | 70.8 | Confident | 64 Ų | 64 | 122.7 Ų | 122.7 | 33% | 0.328 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 176.9 | -69.7 | 169.2 | 0 | 0 | 0 | 110.4 | F74 A75 D76 T81 Q82 | F74-I78 HydrophobicContact CD1-CD1 3.83Å; F74-I78 HydrophobicContact CE1-CD1 3.4Å; F74-I78 HydrophobicContact CE1-CG1 4.38Å; F74-I78 HydrophobicContact CZ-CD1 3.79Å; F74-I78 HydrophobicContact CZ-CG1 4.43Å; F74-I78 WeakPolarHBondContact O-CG1 3.45Å; F74-I78 PolarHBondContact O-N 3.21Å; F74-I78 VanDerWaalsContact O-N 3.07Å; A75-I78 PolarHBondContact O-N 2.83Å; D76-I78 PolarHBondContact O-N 2.98Å; I78-T81 PolarHBondContact O-N 2.82Å; I78-Q82 HydrophobicContact CG2-CG 4.49Å; I78-Q82 WeakPolarHBondContact O-CB 3.38Å; I78-Q82 VanDerWaalsContact O-CG 3.29Å; I78-Q82 WeakPolarHBondContact O-CG 3.45Å; I78-Q82 PolarHBondContact O-N 2.79Å |
| 79 | I | 80.4 | Confident | 70.6 | Confident | 82 Ų | 82 | 122 Ų | 122 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -45.4 | 179.6 | -67.8 | 164.5 | 0 | 0 | 0 | 110.2 | A75 D76 Q82 R83 | A75-I79 VanDerWaalsContact O-CG1 3.27Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 3.41Å; D76-I79 PolarHBondContact O-N 3.26Å; I79-Q82 PolarHBondContact O-N 2.87Å; I79-R83 VanDerWaalsContact O-CG 3.3Å; I79-R83 WeakPolarHBondContact O-CG 3.31Å; I79-R83 PolarHBondContact O-N 3.32Å |
| 80 | E | 81.2 | Confident | 70.4 | Confident | 114 Ų | 114 | 119.2 Ų | 119.2 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -49.1 | 178.3 | -173.3 | 168.8 | -152.2 | 0 | 0 | 111.4 | D76 Y77 Q82 R83 H84 | D76-E80 VanDerWaalsContact O-CB 3.31Å; D76-E80 WeakPolarHBondContact O-CB 3.3Å; D76-E80 PolarHBondContact O-N 3.07Å; Y77-E80 PolarHBondContact O-N 2.96Å; E80-Q82 VanDerWaalsContact C-N 3.3Å; E80-Q82 PolarHBondContact O-N 2.99Å; E80-R83 WeakPolarHBondContact O-CB 3.46Å; E80-R83 PolarHBondContact O-N 3.23Å; E80-H84 PolarHBondContact O-CD2 2.84Å; E80-H84 PolarHBondContact O-N 2.76Å |
| 81 | T | 75.9 | Confident | 70.1 | Confident | 43 Ų | 43 | 118.1 Ų | 118.1 | 26% | 0.264 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.7 | -41.8 | 177.4 | -57 | 0 | 0 | 0 | 0 | 111.9 | Y77 I78 H84 R85 | Y77-T81 VanDerWaalsContact O-CB 3.31Å; Y77-T81 WeakPolarHBondContact O-CB 3.27Å; Y77-T81 PolarHBondContact O-N 3.01Å; Y77-T81 PolarHBondContact O-OG1 2.96Å; I78-T81 PolarHBondContact O-N 2.82Å; T81-H84 PolarHBondContact O-N 2.81Å; T81-R85 PolarHBondContact O-N 2.85Å |
| 82 | Q | 76.4 | Confident | 69.7 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -34.1 | 176.8 | -73.9 | -177.5 | 9.1 | 0 | 0 | 112.7 | I78 I79 E80 R86 | I78-Q82 HydrophobicContact CG2-CG 4.49Å; I78-Q82 WeakPolarHBondContact O-CB 3.38Å; I78-Q82 VanDerWaalsContact O-CG 3.29Å; I78-Q82 WeakPolarHBondContact O-CG 3.45Å; I78-Q82 PolarHBondContact O-N 2.79Å; I79-Q82 PolarHBondContact O-N 2.87Å; E80-Q82 VanDerWaalsContact C-N 3.3Å; E80-Q82 PolarHBondContact O-N 2.99Å; Q82-R86 WeakPolarHBondContact O-CG 3.29Å; Q82-R86 PolarHBondContact O-N 2.99Å |
| 83 | R | 72.6 | Confident | 69.4 | Low | 178 Ų | 178 | 121.3 Ų | 121.3 | 67% | 0.672 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.4 | -42.8 | 175.4 | -74.8 | 174.7 | -178.4 | -145.8 | 2.2 | 111.2 | I79 E80 R85 R86 H87 | I79-R83 VanDerWaalsContact O-CG 3.3Å; I79-R83 WeakPolarHBondContact O-CG 3.31Å; I79-R83 PolarHBondContact O-N 3.32Å; E80-R83 WeakPolarHBondContact O-CB 3.46Å; E80-R83 PolarHBondContact O-N 3.23Å; R83-R85 PolarHBondContact O-N 3.22Å; R83-R86 PolarHBondContact O-N 2.85Å; R83-H87 PolarHBondContact O-N 2.76Å |
| 84 | H | 68 | Low | 68.8 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.5 | -46 | 176.6 | -75.6 | -66.1 | 0 | 0 | 0 | 112.2 | E80 T81 R86 H87 E88 | E80-H84 PolarHBondContact O-CD2 2.84Å; E80-H84 PolarHBondContact O-N 2.76Å; T81-H84 PolarHBondContact O-N 2.81Å; H84-R86 VanDerWaalsContact C-N 3.35Å; H84-R86 PolarHBondContact O-N 3.18Å; H84-H87 PolarHBondContact O-N 3.3Å; H84-H87 VanDerWaalsContact O-N 3.12Å; H84-E88 PolarHBondContact O-N 2.86Å; H84-E88 VanDerWaalsContact O-N 3.07Å |
| 85 | R | 59.1 | Low | 68.2 | Low | 178 Ų | 178 | 125.8 Ų | 125.8 | 67% | 0.672 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.1 | -44 | 177.8 | -73.2 | -170.8 | -179.9 | 168.6 | 1.4 | 113.1 | T81 R83 H87 E88 D89 | T81-R85 PolarHBondContact O-N 2.85Å; R83-R85 PolarHBondContact O-N 3.22Å; R85-H87 VanDerWaalsContact C-N 3.27Å; R85-H87 PolarHBondContact O-N 3.42Å; R85-E88 PolarHBondContact O-N 2.94Å; R85-D89 PolarHBondContact O-N 2.75Å |
| 86 | R | 59.2 | Low | 67.1 | Low | 169 Ų | 169 | 131 Ų | 131 | 64% | 0.638 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.8 | -30.5 | 178.9 | -66.4 | -176.7 | -137.7 | -155.7 | 2.6 | 112.8 | Q82 R83 H84 M90 | Q82-R86 WeakPolarHBondContact O-CG 3.29Å; Q82-R86 PolarHBondContact O-N 2.99Å; R83-R86 PolarHBondContact O-N 2.85Å; H84-R86 VanDerWaalsContact C-N 3.35Å; H84-R86 PolarHBondContact O-N 3.18Å; R86-M90 WeakPolarHBondContact O-CG 3.23Å |
| 87 | H | 57.7 | Low | 66.5 | Low | 133 Ų | 133 | 133.3 Ų | 133.3 | 62% | 0.616 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.8 | -35.2 | 179.7 | -154.7 | -75.4 | 0 | 0 | 0 | 112.1 | R83 H84 R85 M90 T91 | R83-H87 PolarHBondContact O-N 2.76Å; H84-H87 PolarHBondContact O-N 3.3Å; H84-H87 VanDerWaalsContact O-N 3.12Å; R85-H87 VanDerWaalsContact C-N 3.27Å; R85-H87 PolarHBondContact O-N 3.42Å; H87-M90 PolarHBondContact O-N 2.81Å; H87-T91 PolarHBondContact ND1-OG1 2.81Å; H87-T91 PolarHBondContact O-N 2.87Å; H87-T91 PolarHBondContact O-OG1 3.3Å |
| 88 | E | 56.9 | Low | 65.6 | Low | 135 Ų | 135 | 132.8 Ų | 132.8 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64 | -42.2 | 174.8 | -71.5 | -166.9 | -177.7 | 0 | 0 | 111.9 | H84 R85 M90 T91 F92 | H84-E88 PolarHBondContact O-N 2.86Å; H84-E88 VanDerWaalsContact O-N 3.07Å; R85-E88 PolarHBondContact O-N 2.94Å; E88-M90 PolarHBondContact O-N 2.92Å; E88-T91 PolarHBondContact O-N 3.47Å; E88-T91 VanDerWaalsContact O-N 3.13Å; E88-F92 PolarHBondContact O-N 3.49Å |
| 89 | D | 57.1 | Low | 64.8 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 65% | 0.652 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.4 | -31.4 | 177.2 | -71.9 | -22.6 | 0 | 0 | 0 | 112.5 | R85 | R85-D89 PolarHBondContact O-N 2.75Å |
| 90 | M | 57 | Low | 63.9 | Low | 160 Ų | 160 | 139.8 Ų | 139.8 | 79% | 0.788 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -80.3 | -30.7 | 176.5 | -66.6 | -71.5 | -86.8 | 0 | 0 | 112.8 | R86 H87 E88 | R86-M90 WeakPolarHBondContact O-CG 3.23Å; H87-M90 PolarHBondContact O-N 2.81Å; E88-M90 PolarHBondContact O-N 2.92Å |
| 91 | T | 58.8 | Low | 62.8 | Low | 76 Ų | 76 | 141.4 Ų | 141.4 | 47% | 0.466 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -83.2 | -36.6 | -175.9 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | H87 E88 P93 | H87-T91 PolarHBondContact ND1-OG1 2.81Å; H87-T91 PolarHBondContact O-N 2.87Å; H87-T91 PolarHBondContact O-OG1 3.3Å; E88-T91 PolarHBondContact O-N 3.47Å; E88-T91 VanDerWaalsContact O-N 3.13Å; T91-P93 VanDerWaalsContact C-CD 3.44Å; T91-P93 WeakPolarHBondContact O-CD 3.47Å |
| 92 | F | 60.3 | Low | 61.9 | Low | 159 Ų | 159 | 148 Ų | 148 | 70% | 0.697 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -122.4 | 73.4 | 175.4 | -60.5 | -79.3 | 0 | 0 | 0 | 109.2 | E88 R94 | E88-F92 PolarHBondContact O-N 3.49Å; F92-R94 PolarHBondContact O-N 2.94Å |
| 93 | P | 63.8 | Low | 60.9 | Low | 94 Ų | 94 | 151.8 Ų | 151.8 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | | | trans | -54.9 | 117.5 | 166.9 | 23.7 | -30.9 | 0 | 0 | 0 | 106.7 | T91 K95 | T91-P93 VanDerWaalsContact C-CD 3.44Å; T91-P93 WeakPolarHBondContact O-CD 3.47Å; P93-K95 PolarHBondContact O-N 3.42Å |
| 94 | R | 61.6 | Low | 60 | Low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | | | trans | -55.5 | 116.1 | 173.3 | -76.1 | -176.4 | 169.9 | -166.3 | -3.3 | 106.1 | F92 G96 | F92-R94 PolarHBondContact O-N 2.94Å; R94-G96 VanDerWaalsContact C-N 3.31Å; R94-G96 PolarHBondContact O-N 3.2Å |
| 95 | K | 64.6 | Low | 59.4 | Low | 217 Ų | 217 | 152.8 Ų | 152.8 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | | | trans | -58.5 | 100 | 170.4 | -69.7 | -165.6 | 175.6 | -171.6 | 0 | 107.1 | P93 | P93-K95 PolarHBondContact O-N 3.42Š|
| 96 | G | 56 | Low | 59.4 | Low | 146 Ų | 146 | 150.5 Ų | 150.5 | 100% | 1.505 | 77% | 0.77 | S | S | * | * | | | trans | -90.8 | 0 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R94 | R94-G96 VanDerWaalsContact C-N 3.31Å; R94-G96 PolarHBondContact O-N 3.2Å |