| 1 | M | 51.8 | Low | 54.2 | Low | 254 Ų | 254 | 137.6 Ų | 137.6 | 100% | 1.251 | 79% | 0.79 | S | S | * | * | | | | 0 | 149.6 | 0 | -73.5 | -174.3 | 167.7 | 0 | 0 | 108.3 | | |
| 2 | A | 47.8 | Very low | 54 | Low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -85.5 | 153.2 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 3 | T | 52.4 | Low | 53.7 | Low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 32.7 | 115.6 | 146.2 | 55 | 0 | 0 | 0 | 0 | 119.2 | | |
| 4 | D | 56.1 | Low | 53.6 | Low | 128 Ų | 128 | 132.9 Ų | 132.9 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | | | trans | -118.6 | 89.6 | 148.6 | -168.4 | -129.8 | 0 | 0 | 0 | 107.7 | K6 | D4-K6 VanDerWaalsContact O-N 3.14Å; D4-K6 PolarHBondContact O-N 2.75Å; D4-K6 WeakPolarHBondContact OD1-CG 3.32Å; D4-K6 WeakPolarHBondContact OD1-CE 3.16Å |
| 5 | D | 57.7 | Low | 53.8 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | | | trans | -69.5 | 91.2 | 163.1 | -88.4 | -60.4 | 0 | 0 | 0 | 108 | S7 | D5-S7 PolarHBondContact O-N 3Š|
| 6 | K | 57.2 | Low | 54 | Low | 185 Ų | 185 | 135.4 Ų | 135.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -78.5 | 66.3 | 160.3 | -86.1 | -178.8 | -175 | 165 | 0 | 110.2 | D4 S8 | D4-K6 VanDerWaalsContact O-N 3.14Å; D4-K6 PolarHBondContact O-N 2.75Å; D4-K6 WeakPolarHBondContact OD1-CG 3.32Å; D4-K6 WeakPolarHBondContact OD1-CE 3.16Å; K6-S8 PolarHBondContact O-N 3.42Å |
| 7 | S | 55.6 | Low | 54.4 | Low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | | | trans | -66.8 | 120.1 | 150.6 | 55.6 | 0 | 0 | 0 | 0 | 108.3 | D5 | D5-S7 PolarHBondContact O-N 3Š|
| 8 | S | 52.9 | Low | 54.3 | Low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | | | trans | 146.9 | 104.3 | 139.5 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | K6 T10 | K6-S8 PolarHBondContact O-N 3.42Å; S8-T10 PolarHBondContact O-N 2.79Å |
| 9 | P | 55.7 | Low | 54.6 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | | | trans | -66.4 | 113 | 150.4 | 28.2 | -28.4 | 0 | 0 | 0 | 107 | L11 | P9-L11 VanDerWaalsContact C-N 3.27Å; P9-L11 PolarHBondContact O-N 2.73Å |
| 10 | T | 53.9 | Low | 54.7 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -63.2 | 92.4 | 168.2 | 34.6 | 0 | 0 | 0 | 0 | 108.6 | S8 D12 | S8-T10 PolarHBondContact O-N 2.79Å; T10-D12 PolarHBondContact O-N 2.79Å; T10-D12 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 54.8 | Low | 55 | Low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -80.7 | 68.1 | 173 | -159.3 | 173.3 | 0 | 0 | 0 | 107.6 | P9 | P9-L11 VanDerWaalsContact C-N 3.27Å; P9-L11 PolarHBondContact O-N 2.73Å |
| 12 | D | 51.7 | Low | 55.1 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -130.6 | 108 | 179.4 | -102.4 | -63.4 | 0 | 0 | 0 | 111.9 | T10 | T10-D12 PolarHBondContact O-N 2.79Å; T10-D12 VanDerWaalsContact O-N 3.1Å |
| 13 | S | 51 | Low | 55.6 | Low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 74.3 | 45.2 | 135.1 | -61.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 14 | A | 51.7 | Low | 56 | Low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | | | trans | -103.8 | 28.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 15 | N | 56.3 | Low | 56.3 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -107.3 | 13.1 | -174.3 | -148.2 | 25.4 | 0 | 0 | 0 | 114.3 | | |
| 16 | D | 58.2 | Low | 56.6 | Low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | -106.7 | 35.6 | -174.3 | -135.7 | -72.6 | 0 | 0 | 0 | 114.3 | | |
| 17 | L | 59.3 | Low | 56.8 | Low | 151 Ų | 151 | 127 Ų | 127 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -122.4 | 126.4 | 153.2 | -89.3 | 86.2 | 0 | 0 | 0 | 106.9 | R19 | L17-R19 PolarHBondContact O-N 2.53Š|
| 18 | P | 53.8 | Low | 57.4 | Low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -60.8 | 95.6 | 160.7 | 25.7 | -29.5 | 0 | 0 | 0 | 106.1 | S20 | P18-S20 PolarHBondContact O-N 3.17Š|
| 19 | R | 59.8 | Low | 58 | Low | 232 Ų | 232 | 128.9 Ų | 128.9 | 88% | 0.875 | 75% | 0.754 | S | S | * | * | | | trans | -43.4 | 118.8 | 169.8 | -170.2 | 89.7 | -177.6 | 150.9 | 2.5 | 105.1 | L17 | L17-R19 PolarHBondContact O-N 2.53Š|
| 20 | S | 57.5 | Low | 58.5 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | -27.6 | 128.7 | 179.5 | -50.4 | 0 | 0 | 0 | 0 | 110.3 | P18 A22 | P18-S20 PolarHBondContact O-N 3.17Å; S20-A22 PolarHBondContact O-N 2.79Å |
| 21 | P | 59.1 | Low | 59 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -50.6 | 111.9 | -173 | 21.4 | -31.9 | 0 | 0 | 0 | 106.5 | S23 | P21-S23 PolarHBondContact O-N 3.11Š|
| 22 | A | 55.9 | Low | 59.4 | Low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | -50.4 | 118.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | S20 P24 | S20-A22 PolarHBondContact O-N 2.79Å; A22-P24 WeakPolarHBondContact O-CA 3.5Å |
| 23 | S | 57.2 | Low | 59.9 | Low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -38.7 | 117.3 | 177.4 | -66.3 | 0 | 0 | 0 | 0 | 106.9 | P21 S25 | P21-S23 PolarHBondContact O-N 3.11Å; S23-S25 PolarHBondContact O-N 2.97Å |
| 24 | P | 60.5 | Low | 60.6 | Low | 91 Ų | 91 | 134.1 Ų | 134.1 | 59% | 0.591 | 76% | 0.755 | S | S | * | * | | | trans | -58.6 | 121.8 | -165 | 23.1 | -32.5 | 0 | 0 | 0 | 106.1 | A22 H26 | A22-P24 WeakPolarHBondContact O-CA 3.5Å; P24-H26 PolarHBondContact O-N 2.79Å; P24-H26 VanDerWaalsContact O-CD2 3.3Å; P24-H26 PolarHBondContact O-CD2 2.71Å; P24-H26 WeakPolarHBondContact CG-NE2 3.36Å; P24-H26 VanDerWaalsContact CG-NE2 3.31Å |
| 25 | S | 62.7 | Low | 61 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | | | trans | -67 | 81.5 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | S23 L27 | S23-S25 PolarHBondContact O-N 2.97Å; S25-L27 PolarHBondContact O-N 2.77Å |
| 26 | H | 64.3 | Low | 61 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -70.5 | 13.1 | -178.6 | -76 | -169.7 | 0 | 0 | 0 | 112.4 | P24 H29 | P24-H26 PolarHBondContact O-N 2.79Å; P24-H26 VanDerWaalsContact O-CD2 3.3Å; P24-H26 PolarHBondContact O-CD2 2.71Å; P24-H26 WeakPolarHBondContact CG-NE2 3.36Å; P24-H26 VanDerWaalsContact CG-NE2 3.31Å; H26-H29 AromaticContact CD2-CE1 3.73Å; H26-H29 AromaticContact CD2-NE2 3.04Å; H26-H29 PolarHBondContact CD2-NE2 3.06Å; H26-H29 AromaticContact CE1-NE2 3.91Å; H26-H29 AromaticContact CG-CD2 3.99Å; H26-H29 AromaticContact CG-NE2 3.22Å; H26-H29 AromaticContact ND1-NE2 3.76Å; H26-H29 AromaticContact NE2-CE1 3.98Å; H26-H29 AromaticContact NE2-NE2 3.53Å |
| 27 | L | 62.3 | Low | 61 | Low | 164 Ų | 164 | 132.3 Ų | 132.3 | 86% | 0.859 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -87.1 | -4.2 | 175.3 | -108.2 | 110.4 | 0 | 0 | 0 | 114.2 | S25 | S25-L27 PolarHBondContact O-N 2.77Š|
| 28 | T | 66.4 | Low | 61 | Low | 97 Ų | 97 | 132.6 Ų | 132.6 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -136.2 | 53.9 | 171.9 | 61 | 0 | 0 | 0 | 0 | 111.2 | F30 | T28-F30 PolarHBondContact O-N 3.3Š|
| 29 | H | 66.4 | Low | 61.2 | Low | 130 Ų | 130 | 131.4 Ų | 131.4 | 60% | 0.602 | 72% | 0.716 | S | S | * | * | | | trans | -68.7 | 75.7 | 155 | -70.1 | -73.2 | 0 | 0 | 0 | 108.1 | H26 K31 | H26-H29 AromaticContact CD2-CE1 3.73Å; H26-H29 AromaticContact CD2-NE2 3.04Å; H26-H29 PolarHBondContact CD2-NE2 3.06Å; H26-H29 AromaticContact CE1-NE2 3.91Å; H26-H29 AromaticContact CG-CD2 3.99Å; H26-H29 AromaticContact CG-NE2 3.22Å; H26-H29 AromaticContact ND1-NE2 3.76Å; H26-H29 AromaticContact NE2-CE1 3.98Å; H26-H29 AromaticContact NE2-NE2 3.53Å; H29-K31 VanDerWaalsContact C-N 3.32Å; H29-K31 PolarHBondContact O-N 3.04Å |
| 30 | F | 66.2 | Low | 61.2 | Low | 181 Ų | 181 | 123.2 Ų | 123.2 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | | | trans | -54.1 | 109.7 | 150.9 | -83.3 | -87.7 | 0 | 0 | 0 | 105.1 | T28 P32 | T28-F30 PolarHBondContact O-N 3.3Å; F30-P32 VanDerWaalsContact O-N 3.15Å; F30-P32 WeakPolarHBondContact O-CD 3.45Å |
| 31 | K | 64.6 | Low | 61.2 | Low | 192 Ų | 192 | 122.9 Ų | 122.9 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | | | trans | -52.2 | 123.2 | 171 | -77.6 | 173.5 | 175.4 | 173.9 | 0 | 106.4 | H29 L33 | H29-K31 VanDerWaalsContact C-N 3.32Å; H29-K31 PolarHBondContact O-N 3.04Å; K31-L33 PolarHBondContact O-N 2.96Å; K31-L33 VanDerWaalsContact O-N 3.11Å |
| 32 | P | 63.8 | Low | 60.9 | Low | 108 Ų | 108 | 124 Ų | 124 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | | | trans | -52.5 | 124.4 | 171.6 | -21.7 | 31.4 | 0 | 0 | 0 | 107.3 | F30 T34 P35 | F30-P32 VanDerWaalsContact O-N 3.15Å; F30-P32 WeakPolarHBondContact O-CD 3.45Å; P32-T34 PolarHBondContact O-N 2.7Å; P32-P35 WeakPolarHBondContact O-CD 3.4Å |
| 33 | L | 61.3 | Low | 61 | Low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -72.6 | 72.4 | 175 | -84 | 162.3 | 0 | 0 | 0 | 109 | K31 | K31-L33 PolarHBondContact O-N 2.96Å; K31-L33 VanDerWaalsContact O-N 3.11Å |
| 34 | T | 64.7 | Low | 61 | Low | 110 Ų | 110 | 126.4 Ų | 126.4 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | | | trans | 167.6 | 83.2 | 146.7 | 31.6 | 0 | 0 | 0 | 0 | 107.4 | P32 D36 | P32-T34 PolarHBondContact O-N 2.7Å; T34-D36 VanDerWaalsContact C-N 3.33Å; T34-D36 PolarHBondContact O-N 3.1Å |
| 35 | P | 60.3 | Low | 60.9 | Low | 92 Ų | 92 | 125.8 Ų | 125.8 | 60% | 0.597 | 68% | 0.675 | S | S | * | * | | | | -62 | 116.1 | 123.9 | 9.5 | 8.1 | 0 | 0 | 0 | 103.4 | P32 Q37 | P32-P35 WeakPolarHBondContact O-CD 3.4Å; P35-Q37 VanDerWaalsContact C-N 3.29Å; P35-Q37 PolarHBondContact O-N 2.85Å |
| 36 | D | 57.7 | Low | 60.6 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | | | trans | -40.8 | 111.6 | 156 | -83.5 | -72.1 | 0 | 0 | 0 | 106.2 | T34 D38 | T34-D36 VanDerWaalsContact C-N 3.33Å; T34-D36 PolarHBondContact O-N 3.1Å; D36-D38 PolarHBondContact O-N 2.95Å |
| 37 | Q | 57.2 | Low | 60.2 | Low | 147 Ų | 147 | 131.2 Ų | 131.2 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | | | trans | -69.1 | 83 | 167 | -67.7 | -105.6 | -51.9 | 0 | 0 | 102.8 | P35 E39 | P35-Q37 VanDerWaalsContact C-N 3.29Å; P35-Q37 PolarHBondContact O-N 2.85Å; Q37-E39 PolarHBondContact O-N 3.25Å |
| 38 | D | 59.4 | Low | 60.1 | Low | 157 Ų | 157 | 126.7 Ų | 126.7 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -50.1 | 88.4 | 148.9 | -99.6 | -66.8 | 0 | 0 | 0 | 104.7 | D36 | D36-D38 PolarHBondContact O-N 2.95Š|
| 39 | E | 57.5 | Low | 59.7 | Low | 104 Ų | 104 | 130.3 Ų | 130.3 | 49% | 0.486 | 68% | 0.684 | S | S | . | * | | | trans | 25.6 | 120.2 | -174.4 | -77.4 | -172.4 | 109.4 | 0 | 0 | 115.4 | Q37 F42 | Q37-E39 PolarHBondContact O-N 3.25Å; E39-F42 HydrophobicContact CB-CD2 3.86Å; E39-F42 HydrophobicContact CB-CE2 4.41Å; E39-F42 HydrophobicContact CG-CD2 3.64Å; E39-F42 HydrophobicContact CG-CE2 4.12Å; E39-F42 VanDerWaalsContact OE1-CD2 3.32Å; E39-F42 WeakPolarHBondContact OE1-CD2 3.5Å |
| 40 | P | 59.8 | Low | 59.6 | Low | 59 Ų | 59 | 130.8 Ų | 130.8 | 38% | 0.383 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -48.6 | 129.6 | 148.3 | 25.9 | -32.5 | 0 | 0 | 0 | 104.7 | F42 | P40-F42 PolarHBondContact O-N 2.78Å; P40-F42 HydrophobicContact CG-CE1 4.47Å; P40-F42 WeakPolarHBondContact O-CD2 3.5Å; P40-F42 WeakPolarHBondContact O-CA 3.38Å; P40-F42 HydrophobicContact CG-CZ 3.87Å; P40-F42 HydrophobicContact CG-CE2 3.62Å; P40-F42 HydrophobicContact CG-CD2 4.01Å |
| 41 | P | 57.9 | Low | 59.6 | Low | 92 Ų | 92 | 127.3 Ų | 127.3 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | | | trans | -57.4 | 97.2 | -170 | 15.3 | -26.4 | 0 | 0 | 0 | 107.7 | K43 S44 | P41-K43 PolarHBondContact O-N 3.48Å; P41-S44 WeakPolarHBondContact CB-OG 3.31Å; P41-S44 PolarHBondContact O-N 2.96Å |
| 42 | F | 53.5 | Low | 59.7 | Low | 150 Ų | 150 | 124.8 Ų | 124.8 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 9.7 | -179.6 | -83 | -78.3 | 0 | 0 | 0 | 109.1 | E39 P40 | E39-F42 HydrophobicContact CB-CD2 3.86Å; E39-F42 HydrophobicContact CB-CE2 4.41Å; E39-F42 HydrophobicContact CG-CD2 3.64Å; E39-F42 HydrophobicContact CG-CE2 4.12Å; E39-F42 VanDerWaalsContact OE1-CD2 3.32Å; E39-F42 WeakPolarHBondContact OE1-CD2 3.5Å; P40-F42 PolarHBondContact O-N 2.78Å; P40-F42 HydrophobicContact CG-CE1 4.47Å; P40-F42 WeakPolarHBondContact O-CD2 3.5Å; P40-F42 WeakPolarHBondContact O-CA 3.38Å; P40-F42 HydrophobicContact CG-CZ 3.87Å; P40-F42 HydrophobicContact CG-CE2 3.62Å; P40-F42 HydrophobicContact CG-CD2 4.01Å |
| 43 | K | 57.6 | Low | 60 | Low | 154 Ų | 154 | 128.2 Ų | 128.2 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -7.1 | -169.9 | -56.4 | -177.2 | -169.8 | -69.4 | 0 | 112.7 | P41 | P41-K43 PolarHBondContact O-N 3.48Š|
| 44 | S | 56.2 | Low | 60.3 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -91.9 | -21.2 | -170.4 | -67.4 | 0 | 0 | 0 | 0 | 116.8 | P41 | P41-S44 WeakPolarHBondContact CB-OG 3.31Å; P41-S44 PolarHBondContact O-N 2.96Å |
| 45 | A | 58.4 | Low | 60.2 | Low | 77 Ų | 77 | 133.1 Ų | 133.1 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -141.4 | -22 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 46 | Y | 56.6 | Low | 60 | Low | 226 Ų | 226 | 135.2 Ų | 135.2 | 89% | 0.886 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 6 | -179.6 | -89.3 | -87.2 | 0 | 0 | 0 | 114.2 | S48 | Y46-S48 VanDerWaalsContact C-N 3.3Š|
| 47 | S | 55.7 | Low | 60.2 | Low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -2.3 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 48 | S | 60.2 | Low | 60.3 | Low | 68 Ų | 68 | 136.4 Ų | 136.4 | 48% | 0.476 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -112.4 | 129.6 | 174.8 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | Y46 | Y46-S48 VanDerWaalsContact C-N 3.3Š|
| 49 | F | 59.3 | Low | 60.2 | Low | 173 Ų | 173 | 138.2 Ų | 138.2 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 102.5 | 29.3 | 168.9 | -46.9 | -63.1 | 0 | 0 | 0 | 121.1 | | |
| 50 | V | 64.8 | Low | 60.4 | Low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -146.3 | 102.5 | 150.3 | -87.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 51 | N | 64.6 | Low | 60 | Low | 109 Ų | 109 | 139.6 Ų | 139.6 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | | | | -160 | 97.6 | 69.5 | -164.8 | 65.8 | 0 | 0 | 0 | 110.3 | F53 | N51-F53 VanDerWaalsContact C-N 3.3Å; N51-F53 PolarHBondContact ND2-O 2.93Å |
| 52 | L | 68 | Low | 60.1 | Low | 139 Ų | 139 | 144 Ų | 144 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -85.4 | 0.3 | -179.9 | -92.2 | 63.7 | 0 | 0 | 0 | 114 | | |
| 53 | F | 70.2 | Confident | 60.2 | Low | 179 Ų | 179 | 145.1 Ų | 145.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -138.4 | 108.2 | 172.2 | -56.7 | -79.4 | 0 | 0 | 0 | 108.5 | N51 | N51-F53 VanDerWaalsContact C-N 3.3Å; N51-F53 PolarHBondContact ND2-O 2.93Å |
| 54 | R | 67.1 | Low | 60.2 | Low | 224 Ų | 224 | 141.7 Ų | 141.7 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -106 | 75.1 | 159.3 | -167.4 | 146 | 66.2 | 166.5 | 1.9 | 108.3 | | |
| 55 | F | 63.5 | Low | 60.3 | Low | 163 Ų | 163 | 144.9 Ų | 144.9 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -89.9 | 105.9 | 167.1 | -165.5 | -94.2 | 0 | 0 | 0 | 108.6 | K57 | F55-K57 HydrophobicContact CD1-CB 4.44Å; F55-K57 HydrophobicContact CE1-CB 3.84Å; F55-K57 HydrophobicContact CE1-CD 4.32Å; F55-K57 HydrophobicContact CE1-CG 4.32Å; F55-K57 HydrophobicContact CZ-CB 4.44Å |
| 56 | N | 55.9 | Low | 60 | Low | 135 Ų | 135 | 148.6 Ų | 148.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -138.4 | 79.5 | 159.1 | -78.5 | -41.9 | 0 | 0 | 0 | 108.1 | D58 | N56-D58 PolarHBondContact O-N 3.14Š|
| 57 | K | 60 | Low | 60.2 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 20.7 | -5.9 | 131.6 | -160.5 | 166 | 165.3 | -178.5 | 0 | 123 | F55 | F55-K57 HydrophobicContact CD1-CB 4.44Å; F55-K57 HydrophobicContact CE1-CB 3.84Å; F55-K57 HydrophobicContact CE1-CD 4.32Å; F55-K57 HydrophobicContact CE1-CG 4.32Å; F55-K57 HydrophobicContact CZ-CB 4.44Å |
| 58 | D | 59.3 | Low | 60.4 | Low | 136 Ų | 136 | 146.4 Ų | 146.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -124.2 | 38.9 | -167 | -63 | -58.8 | 0 | 0 | 0 | 114.6 | N56 | N56-D58 PolarHBondContact O-N 3.14Š|
| 59 | Q | 58.1 | Low | 60.4 | Low | 196 Ų | 196 | 150.8 Ų | 150.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -122.2 | 73.1 | 159.7 | -79.4 | -174.8 | 7.3 | 0 | 0 | 110.3 | | |
| 60 | G | 61.7 | Low | 60.5 | Low | 65 Ų | 65 | 149.5 Ų | 149.5 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | | | trans | -77.6 | 150.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 61 | P | 50.9 | Low | 60.2 | Low | 126 Ų | 126 | 150.1 Ų | 150.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | | -133.3 | 128.8 | 74.1 | 25.7 | -5.9 | 0 | 0 | 0 | 111.6 | | |
| 62 | F | 59.7 | Low | 59.9 | Low | 186 Ų | 186 | 152.8 Ų | 152.8 | 82% | 0.816 | 84% | 0.835 | S | S | * | * | | | | 87.7 | 102.3 | 92.4 | -155.4 | -90.2 | 0 | 0 | 0 | 111.2 | | |
| 63 | F | 57.5 | Low | 59.3 | Low | 173 Ų | 173 | 153.8 Ų | 153.8 | 76% | 0.759 | 84% | 0.843 | S | S | * | * | | | trans | 22.8 | 111.2 | 152.9 | -75.3 | -93.2 | 0 | 0 | 0 | 118.4 | L65 | F63-L65 HydrophobicContact CD1-CD1 4.4Š|
| 64 | G | 56 | Low | 58.5 | Low | 82 Ų | 82 | 151.8 Ų | 151.8 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | | | trans | -139.1 | 67 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 65 | L | 58.8 | Low | 57.8 | Low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 85% | 0.848 | S | S | * | * | | | trans | -70.8 | 128.9 | 157.4 | -74.4 | 163.6 | 0 | 0 | 0 | 107.2 | F63 | F63-L65 HydrophobicContact CD1-CD1 4.4Š|
| 66 | G | 52.1 | Low | 57.3 | Low | 154 Ų | 154 | 144.3 Ų | 144.3 | 100% | 1.588 | 86% | 0.86 | S | S | * | * | | | trans | 174.5 | 0 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |