| 1 | M | 37.2 | Very low | 47.8 | Very low | 235 Ų | 235 | 138 Ų | 138 | 100% | 1.158 | 76% | 0.762 | S | S | * | * | | | | 0 | 82 | 0 | -169.3 | 163.2 | -107.3 | 0 | 0 | 107.5 | A3 | M1-A3 PolarHBondContact O-N 3.02Å; M1-A3 HydrophobicContact CG-CB 4.46Å |
| 2 | S | 38.3 | Very low | 47.9 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | | | trans | -82.4 | 70.7 | 169.9 | -60.8 | 0 | 0 | 0 | 0 | 107.2 | C4 | S2-C4 PolarHBondContact O-N 2.73Š|
| 3 | A | 42.8 | Very low | 47.9 | Very low | 59 Ų | 59 | 142.9 Ų | 142.9 | 49% | 0.488 | 75% | 0.749 | S | S | . | * | | | trans | -67.1 | 116.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106 | M1 N5 | M1-A3 PolarHBondContact O-N 3.02Å; M1-A3 HydrophobicContact CG-CB 4.46Å; A3-N5 HydrophobicContact CB-CB 4.43Å; A3-N5 PolarHBondContact O-N 3.3Å |
| 4 | C | 52 | Low | 47.6 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | | | trans | -60.8 | 82.3 | 157 | -67.9 | 0 | 0 | 0 | 0 | 106.5 | S2 T6 | S2-C4 PolarHBondContact O-N 2.73Å; C4-T6 PolarHBondContact O-N 3.24Å; C4-T6 VanDerWaalsContact O-N 3.16Å |
| 5 | N | 46.7 | Very low | 48.2 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -82 | 15.3 | -172.5 | -146.9 | 61.8 | 0 | 0 | 0 | 112 | A3 | A3-N5 HydrophobicContact CB-CB 4.43Å; A3-N5 PolarHBondContact O-N 3.3Å |
| 6 | T | 45.5 | Very low | 48.4 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -131.4 | 110.4 | 174.2 | -39.8 | 0 | 0 | 0 | 0 | 104.2 | C4 T8 | C4-T6 PolarHBondContact O-N 3.24Å; C4-T6 VanDerWaalsContact O-N 3.16Å; T6-T8 PolarHBondContact O-OG1 3.25Å; T6-T8 PolarHBondContact O-N 3.41Å; T6-T8 WeakPolarHBondContact CG2-OG1 3.25Å; T6-T8 VanDerWaalsContact CG2-OG1 3.25Å; T6-T8 WeakPolarHBondContact CB-OG1 3.36Å |
| 7 | F | 53.8 | Low | 48.8 | Very low | 220 Ų | 220 | 133.2 Ų | 133.2 | 97% | 0.965 | 73% | 0.729 | S | S | * | * | | | trans | -68.9 | 58.9 | 164.2 | -142.4 | -91.3 | 0 | 0 | 0 | 106.8 | E9 | F7-E9 PolarHBondContact O-N 3.49Š|
| 8 | T | 49.1 | Very low | 49.3 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | | | trans | -68.9 | 115.7 | 169.9 | -29.6 | 0 | 0 | 0 | 0 | 103 | T6 H10 | T6-T8 PolarHBondContact O-OG1 3.25Å; T6-T8 PolarHBondContact O-N 3.41Å; T6-T8 WeakPolarHBondContact CG2-OG1 3.25Å; T6-T8 VanDerWaalsContact CG2-OG1 3.25Å; T6-T8 WeakPolarHBondContact CB-OG1 3.36Å; T8-H10 VanDerWaalsContact C-N 3.33Å; T8-H10 PolarHBondContact O-CD2 3.15Å; T8-H10 PolarHBondContact O-N 2.89Å |
| 9 | E | 52.1 | Low | 49.5 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | trans | -44.6 | 107 | 168.7 | -71 | 173.4 | 104.2 | 0 | 0 | 106.9 | F7 V11 | F7-E9 PolarHBondContact O-N 3.49Å; E9-V11 VanDerWaalsContact C-N 3.28Å; E9-V11 PolarHBondContact O-N 3.41Å |
| 10 | H | 57.4 | Low | 49.7 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 59% | 0.593 | 73% | 0.731 | S | S | * | * | | | trans | -61.8 | 101.6 | 179.3 | -93.6 | -136.1 | 0 | 0 | 0 | 104.8 | T8 W12 | T8-H10 VanDerWaalsContact C-N 3.33Å; T8-H10 PolarHBondContact O-CD2 3.15Å; T8-H10 PolarHBondContact O-N 2.89Å; H10-W12 PolarHBondContact O-N 2.91Å |
| 11 | V | 50.4 | Low | 49.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | trans | -57.3 | 110.1 | 170.3 | 176.7 | 0 | 0 | 0 | 0 | 104.9 | E9 K13 | E9-V11 VanDerWaalsContact C-N 3.28Å; E9-V11 PolarHBondContact O-N 3.41Å; V11-K13 PolarHBondContact O-N 3.16Å |
| 12 | W | 50 | Low | 50.6 | Low | 208 Ų | 208 | 133.1 Ų | 133.1 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | | | trans | -61.2 | 106 | -176.9 | -169.9 | 91 | 0 | 0 | 0 | 107.9 | H10 P14 | H10-W12 PolarHBondContact O-N 2.91Å; W12-P14 HydrophobicContact CZ3-CB 4.01Å; W12-P14 HydrophobicContact CZ3-CG 4.15Å; W12-P14 HydrophobicContact CH2-CB 4.07Å |
| 13 | K | 47.1 | Very low | 51.3 | Low | 132 Ų | 132 | 130.7 Ų | 130.7 | 57% | 0.574 | 69% | 0.692 | S | S | * | * | | | trans | -105.6 | 122.8 | 170.2 | -73.2 | -175 | -176.3 | 179.3 | 0 | 107.7 | V11 G15 E16 | V11-K13 PolarHBondContact O-N 3.16Å; K13-G15 PolarHBondContact O-N 3.38Å; K13-E16 HydrophobicContact CB-CB 4.38Å; K13-E16 HydrophobicContact CB-CG 4.47Å; K13-E16 PolarHBondContact O-N 2.76Å |
| 14 | P | 44.7 | Very low | 51.9 | Low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 115.3 | 173.6 | 23.6 | -29.4 | 0 | 0 | 0 | 108.8 | W12 | W12-P14 HydrophobicContact CZ3-CB 4.01Å; W12-P14 HydrophobicContact CZ3-CG 4.15Å; W12-P14 HydrophobicContact CH2-CB 4.07Å |
| 15 | G | 55.7 | Low | 52 | Low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.4 | -22.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | K13 | K13-G15 PolarHBondContact O-N 3.38Š|
| 16 | E | 51.1 | Low | 52.5 | Low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -22.9 | -170.7 | -73.6 | -92.5 | 110.7 | 0 | 0 | 113.6 | K13 K18 | K13-E16 HydrophobicContact CB-CB 4.38Å; K13-E16 HydrophobicContact CB-CG 4.47Å; K13-E16 PolarHBondContact O-N 2.76Å; E16-K18 PolarHBondContact O-N 3.24Å; E16-K18 VanDerWaalsContact O-N 3.15Å |
| 17 | C | 56 | Low | 53.3 | Low | 64 Ų | 64 | 136.1 Ų | 136.1 | 43% | 0.432 | 70% | 0.696 | S | S | . | * | | | trans | -88.1 | 84.9 | 177.9 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 18 | K | 57.4 | Low | 53.3 | Low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | | | trans | -95.9 | -6.8 | 176 | -109.4 | 178.5 | -178.4 | 175.7 | 0 | 114.9 | E16 | E16-K18 PolarHBondContact O-N 3.24Å; E16-K18 VanDerWaalsContact O-N 3.15Å |
| 19 | N | 52.5 | Low | 53.5 | Low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -149.4 | 57 | -170 | -162.3 | 73.8 | 0 | 0 | 0 | 115.7 | | |
| 20 | C | 55 | Low | 53.6 | Low | 88 Ų | 88 | 139.2 Ų | 139.2 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | | | trans | -131.3 | 32.4 | 164.3 | -63.3 | 0 | 0 | 0 | 0 | 113 | K22 | C20-K22 VanDerWaalsContact C-N 3.34Å; C20-K22 PolarHBondContact O-N 3.41Å |
| 21 | F | 54 | Low | 53.4 | Low | 193 Ų | 193 | 139.8 Ų | 139.8 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | -92.4 | 35.6 | 177.7 | -84 | -77.6 | 0 | 0 | 0 | 114 | | |
| 22 | K | 51.3 | Low | 53.5 | Low | 143 Ų | 143 | 141 Ų | 141 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -104.8 | 113.8 | 163.8 | -72.7 | -158.2 | 175.6 | -172.1 | 0 | 108.8 | C20 K24 H27 | C20-K22 VanDerWaalsContact C-N 3.34Å; C20-K22 PolarHBondContact O-N 3.41Å; K22-K24 PolarHBondContact O-N 2.76Å; K22-H27 WeakPolarHBondContact CB-NE2 3.33Å |
| 23 | P | 53.7 | Low | 53.8 | Low | 79 Ų | 79 | 136.8 Ų | 136.8 | 51% | 0.513 | 72% | 0.715 | S | S | . | * | | | trans | -56.5 | 144.5 | 174.1 | 22.3 | -31.7 | 0 | 0 | 0 | 109 | S25 L26 | P23-S25 PolarHBondContact O-N 3.06Å; P23-L26 HydrophobicContact CG-CD1 4.05Å; P23-L26 PolarHBondContact O-N 2.89Å |
| 24 | K | 53.6 | Low | 54.2 | Low | 193 Ų | 193 | 137.1 Ų | 137.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -51.9 | -23.4 | -174.8 | -165.8 | 175.5 | 179.2 | -179.9 | 0 | 113.7 | K22 L26 H27 | K22-K24 PolarHBondContact O-N 2.76Å; K24-L26 PolarHBondContact O-N 2.89Å; K24-H27 PolarHBondContact O-N 2.78Å |
| 25 | S | 55.3 | Low | 54.9 | Low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -64.1 | -15.3 | 173.7 | 54 | 0 | 0 | 0 | 0 | 115.3 | P23 | P23-S25 PolarHBondContact O-N 3.06Š|
| 26 | L | 55.9 | Low | 54.8 | Low | 114 Ų | 114 | 144.2 Ų | 144.2 | 60% | 0.597 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -100.9 | 0.4 | 177.8 | -77.6 | 163.4 | 0 | 0 | 0 | 113.5 | P23 K24 | P23-L26 HydrophobicContact CG-CD1 4.05Å; P23-L26 PolarHBondContact O-N 2.89Å; K24-L26 PolarHBondContact O-N 2.89Å |
| 27 | H | 63.4 | Low | 55.1 | Low | 123 Ų | 123 | 142.8 Ų | 142.8 | 57% | 0.569 | 72% | 0.721 | S | S | * | * | | | trans | -104.8 | 90.3 | 172.2 | -66.9 | -90.8 | 0 | 0 | 0 | 107.2 | K22 K24 | K22-H27 WeakPolarHBondContact CB-NE2 3.33Å; K24-H27 PolarHBondContact O-N 2.78Å |
| 28 | Q | 53.5 | Low | 55.1 | Low | 269 Ų | 269 | 150 Ų | 150 | 100% | 1.257 | 75% | 0.747 | S | S | * | * | | | trans | -58.5 | 0 | 170.1 | -67.1 | -148.3 | -82 | 0 | 0 | 111 | | |