| 1 | M | 50.9 | Low | 56.3 | Low | 247 Ų | 247 | 152.3 Ų | 152.3 | 100% | 1.217 | 85% | 0.846 | S | S | * | * | | | | 0 | 104.8 | 0 | -113.5 | 162.4 | 167.9 | 0 | 0 | 107 | | |
| 2 | I | 51.9 | Low | 56.1 | Low | 172 Ų | 172 | 152.6 Ų | 152.6 | 88% | 0.882 | 85% | 0.845 | S | S | * | * | | | trans | -95.1 | 113.4 | 179 | -55.2 | 173.6 | 0 | 0 | 0 | 106.2 | Q4 | I2-Q4 PolarHBondContact O-N 2.75Š|
| 3 | A | 61.1 | Low | 55.7 | Low | 90 Ų | 90 | 154.8 Ų | 154.8 | 74% | 0.744 | 85% | 0.845 | S | S | * | * | | | trans | -67.1 | 117.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V5 | A3-V5 PolarHBondContact O-N 2.98Š|
| 4 | Q | 58 | Low | 55.3 | Low | 194 Ų | 194 | 158.2 Ų | 158.2 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | | | trans | -76.6 | 100.8 | 174.4 | -168.1 | 169.4 | -27.4 | 0 | 0 | 107.8 | I2 G6 | I2-Q4 PolarHBondContact O-N 2.75Å; Q4-G6 PolarHBondContact O-N 2.82Å |
| 5 | V | 55.8 | Low | 55 | Low | 139 Ų | 139 | 151.3 Ų | 151.3 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 119.7 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | A3 | A3-V5 PolarHBondContact O-N 2.98Š|
| 6 | G | 60 | Low | 54.3 | Low | 61 Ų | 61 | 150.3 Ų | 150.3 | 63% | 0.629 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q4 M8 | Q4-G6 PolarHBondContact O-N 2.82Å; G6-M8 PolarHBondContact O-N 3.08Å |
| 7 | R | 57 | Low | 54 | Low | 248 Ų | 248 | 150.2 Ų | 150.2 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.5 | 171.2 | -174.4 | -169.2 | -75.2 | -164.1 | -4.2 | 110.6 | | |
| 8 | M | 58 | Low | 53.6 | Low | 173 Ų | 173 | 146.7 Ų | 146.7 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -79 | 141 | 167.4 | -83 | -100 | 161.3 | 0 | 0 | 110.5 | G6 | G6-M8 PolarHBondContact O-N 3.08Š|
| 9 | P | 56.6 | Low | 53.6 | Low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 139.1 | -177.2 | 30.8 | -32.4 | 0 | 0 | 0 | 112.5 | T11 | P9-T11 PolarHBondContact O-N 2.86Š|
| 10 | S | 50.3 | Low | 53.5 | Low | 124 Ų | 124 | 149.2 Ų | 149.2 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 125.1 | 168.1 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 11 | T | 60.1 | Low | 53.7 | Low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.724 | 83% | 0.834 | S | S | * | * | | | trans | -116.4 | 102.1 | 158.6 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | P9 Q13 | P9-T11 PolarHBondContact O-N 2.86Å; T11-Q13 PolarHBondContact O-N 2.98Å |
| 12 | D | 53.1 | Low | 53.9 | Low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | -58.7 | 103.1 | 161 | -167.2 | -89.9 | 0 | 0 | 0 | 107.9 | | |
| 13 | Q | 52.1 | Low | 53.9 | Low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -122.3 | 99 | 166.5 | -77.6 | -149.9 | 16.6 | 0 | 0 | 109 | T11 G15 | T11-Q13 PolarHBondContact O-N 2.98Å; Q13-G15 PolarHBondContact O-N 3.42Å; Q13-G15 VanDerWaalsContact O-N 3.15Å |
| 14 | K | 49.2 | Very low | 53.3 | Low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -75.7 | 88.6 | 173.3 | -170.7 | -174.1 | -176.9 | -159.3 | 0 | 109.6 | | |
| 15 | G | 51 | Low | 53.1 | Low | 54 Ų | 54 | 146.5 Ų | 146.5 | 56% | 0.557 | 79% | 0.79 | S | S | * | * | | | trans | -77.8 | 157.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q13 L17 | Q13-G15 PolarHBondContact O-N 3.42Å; Q13-G15 VanDerWaalsContact O-N 3.15Å; G15-L17 VanDerWaalsContact C-N 3.33Å; G15-L17 PolarHBondContact O-N 3.13Å |
| 16 | P | 44.6 | Very low | 53 | Low | 136 Ų | 136 | 145.9 Ų | 145.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -85.2 | 20.4 | -164.3 | 34.7 | -35.9 | 0 | 0 | 0 | 116.1 | | |
| 17 | L | 48.4 | Very low | 52.7 | Low | 148 Ų | 148 | 149.3 Ų | 149.3 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -126.2 | 108.7 | 174.8 | -76.9 | 160.3 | 0 | 0 | 0 | 109.1 | G15 I19 | G15-L17 VanDerWaalsContact C-N 3.33Å; G15-L17 PolarHBondContact O-N 3.13Å; L17-I19 VanDerWaalsContact C-N 3.27Å; L17-I19 PolarHBondContact O-N 3.19Å |
| 18 | G | 46.6 | Very low | 52.6 | Low | 88 Ų | 88 | 141.8 Ų | 141.8 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | | | trans | -68.7 | 70.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 19 | I | 53.4 | Low | 53 | Low | 144 Ų | 144 | 137.1 Ų | 137.1 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -113.4 | 87.9 | 170.8 | -26.4 | 175.8 | 0 | 0 | 0 | 107.8 | L17 R21 | L17-I19 VanDerWaalsContact C-N 3.27Å; L17-I19 PolarHBondContact O-N 3.19Å; I19-R21 PolarHBondContact O-N 3.44Å |
| 20 | Q | 51.9 | Low | 53.5 | Low | 198 Ų | 198 | 137.5 Ų | 137.5 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | | | trans | -70.5 | 76 | 169.1 | -70.1 | -176.4 | 74.9 | 0 | 0 | 108.8 | A22 | Q20-A22 VanDerWaalsContact C-N 3.32Å; Q20-A22 PolarHBondContact O-N 2.98Å; Q20-A22 VanDerWaalsContact O-N 3.16Å |
| 21 | R | 57.4 | Low | 54.3 | Low | 225 Ų | 225 | 136.6 Ų | 136.6 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | | | trans | -84.5 | 86.2 | 168.3 | -161.2 | 174.6 | -175.9 | -145.5 | 0.8 | 107.5 | I19 A23 | I19-R21 PolarHBondContact O-N 3.44Å; R21-A23 PolarHBondContact O-N 2.78Å |
| 22 | A | 54.9 | Low | 54.5 | Low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | | | trans | -61.7 | 88.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q20 R24 | Q20-A22 VanDerWaalsContact C-N 3.32Å; Q20-A22 PolarHBondContact O-N 2.98Å; Q20-A22 VanDerWaalsContact O-N 3.16Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 2.7Å |
| 23 | A | 53.2 | Low | 55 | Low | 56 Ų | 56 | 140.5 Ų | 140.5 | 46% | 0.463 | 75% | 0.747 | S | S | . | * | | | trans | -74.4 | 93.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | R21 W25 | R21-A23 PolarHBondContact O-N 2.78Å; A23-W25 HydrophobicContact CB-CG 4.46Å; A23-W25 VanDerWaalsContact O-CD1 3.22Å; A23-W25 PolarHBondContact O-N 2.72Å |
| 24 | R | 48.4 | Very low | 55.4 | Low | 218 Ų | 218 | 136.8 Ų | 136.8 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | | | trans | -62.7 | 94.6 | 158.8 | -83 | 179.9 | 177.5 | -95.9 | 4.2 | 106.3 | A22 | A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 2.7Å |
| 25 | W | 52.6 | Low | 55.8 | Low | 204 Ų | 204 | 133 Ų | 133 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | trans | -87.9 | 11.4 | 163.5 | -62.9 | 86.7 | 0 | 0 | 0 | 111.2 | A23 T27 | A23-W25 HydrophobicContact CB-CG 4.46Å; A23-W25 VanDerWaalsContact O-CD1 3.22Å; A23-W25 PolarHBondContact O-N 2.72Å; W25-T27 PolarHBondContact O-N 2.94Å |
| 26 | D | 55.3 | Low | 55.9 | Low | 125 Ų | 125 | 135.2 Ų | 135.2 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 103 | 173.3 | -64.1 | -45.5 | 0 | 0 | 0 | 107.8 | | |
| 27 | T | 52.1 | Low | 56.4 | Low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.6 | 58.7 | -177.6 | -31.2 | 0 | 0 | 0 | 0 | 114.4 | W25 P29 | W25-T27 PolarHBondContact O-N 2.94Å; T27-P29 WeakPolarHBondContact O-CD 3.35Å |
| 28 | C | 56.5 | Low | 56.5 | Low | 90 Ų | 90 | 135.4 Ų | 135.4 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | | | trans | -65.1 | 120.5 | 146.4 | -124.1 | 0 | 0 | 0 | 0 | 106.9 | T30 | C28-T30 PolarHBondContact O-N 2.82Š|
| 29 | P | 65.9 | Low | 56.7 | Low | 74 Ų | 74 | 139 Ų | 139 | 48% | 0.481 | 72% | 0.721 | S | S | . | * | | | trans | -62.3 | 104.6 | 170.5 | 25.1 | -30.5 | 0 | 0 | 0 | 107.4 | T27 V31 | T27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-V31 VanDerWaalsContact C-N 3.27Å; P29-V31 PolarHBondContact O-N 2.88Å |
| 30 | T | 66.6 | Low | 56.4 | Low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | -64.5 | 95.9 | 166.9 | -59 | 0 | 0 | 0 | 0 | 106.4 | C28 R32 | C28-T30 PolarHBondContact O-N 2.82Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 HydrophobicContact CG2-CG 4.25Å; T30-R32 PolarHBondContact O-N 3.38Å |
| 31 | V | 66.3 | Low | 56.2 | Low | 105 Ų | 105 | 132.5 Ų | 132.5 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | | | trans | -59.3 | 102 | 166.4 | 178 | 0 | 0 | 0 | 0 | 106.3 | P29 I33 | P29-V31 VanDerWaalsContact C-N 3.27Å; P29-V31 PolarHBondContact O-N 2.88Å; V31-I33 PolarHBondContact O-N 3.42Å |
| 32 | R | 66 | Low | 55.8 | Low | 207 Ų | 207 | 127.7 Ų | 127.7 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | | | trans | -77.6 | 101.8 | 174.4 | -75.2 | -165.4 | -80.7 | -175 | -5.1 | 107.4 | T30 T34 | T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 HydrophobicContact CG2-CG 4.25Å; T30-R32 PolarHBondContact O-N 3.38Å; R32-T34 VanDerWaalsContact C-N 3.25Å; R32-T34 PolarHBondContact O-N 3.21Å |
| 33 | I | 63.2 | Low | 55.8 | Low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | | | trans | -72.3 | 91.1 | 161.9 | -53.6 | 173.6 | 0 | 0 | 0 | 106.1 | V31 T35 | V31-I33 PolarHBondContact O-N 3.42Å; I33-T35 HydrophobicContact CG2-CG2 4.44Å; I33-T35 PolarHBondContact O-N 3.22Å |
| 34 | T | 60.3 | Low | 56 | Low | 104 Ų | 104 | 131.4 Ų | 131.4 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | | | trans | -74.4 | 102 | 166.6 | 48.5 | 0 | 0 | 0 | 0 | 107.4 | R32 T36 | R32-T34 VanDerWaalsContact C-N 3.25Å; R32-T34 PolarHBondContact O-N 3.21Å; T34-T36 PolarHBondContact O-N 3.19Å |
| 35 | T | 57.7 | Low | 56.8 | Low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | | | trans | -68.5 | 87.4 | 162.5 | 53.8 | 0 | 0 | 0 | 0 | 107.1 | I33 D37 | I33-T35 HydrophobicContact CG2-CG2 4.44Å; I33-T35 PolarHBondContact O-N 3.22Å; T35-D37 VanDerWaalsContact C-N 3.34Å; T35-D37 PolarHBondContact O-N 3.08Å |
| 36 | T | 53.6 | Low | 57.6 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 61% | 0.613 | 71% | 0.711 | S | S | * | * | | | trans | -66.6 | 102.5 | 161.8 | 41.3 | 0 | 0 | 0 | 0 | 106.1 | T34 D38 | T34-T36 PolarHBondContact O-N 3.19Å; T36-D38 PolarHBondContact O-N 2.87Å |
| 37 | D | 53.9 | Low | 58.6 | Low | 170 Ų | 170 | 123.5 Ų | 123.5 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | | | trans | -66.4 | 26.9 | 172.8 | -171.2 | -125.5 | 0 | 0 | 0 | 112.2 | T35 | T35-D37 VanDerWaalsContact C-N 3.34Å; T35-D37 PolarHBondContact O-N 3.08Å |
| 38 | D | 51 | Low | 59.8 | Low | 119 Ų | 119 | 121 Ų | 121 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -116.8 | 110.2 | -174.3 | -157.4 | 59.9 | 0 | 0 | 0 | 107.1 | T36 | T36-D38 PolarHBondContact O-N 2.87Š|
| 39 | E | 51.3 | Low | 61 | Low | 164 Ų | 164 | 122.4 Ų | 122.4 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 57.8 | 95.6 | 141 | -144.3 | -178.9 | 99.7 | 0 | 0 | 116.2 | A41 | E39-A41 PolarHBondContact O-N 3.04Š|
| 40 | V | 46.9 | Very low | 61.7 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | | | trans | 59.1 | 40.7 | 164.5 | -120.5 | 0 | 0 | 0 | 0 | 116 | T42 | V40-T42 PolarHBondContact O-N 3.37Š|
| 41 | A | 47.9 | Very low | 62.5 | Low | 70 Ų | 70 | 119.1 Ų | 119.1 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | | | trans | -65.3 | 109 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | E39 S43 | E39-A41 PolarHBondContact O-N 3.04Å; A41-S43 VanDerWaalsContact C-N 3.32Å; A41-S43 PolarHBondContact O-N 3.06Å |
| 42 | T | 48 | Very low | 63.1 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 76% | 0.761 | 66% | 0.658 | S | S | * | * | | | trans | -54.3 | 102.8 | 161 | 46.6 | 0 | 0 | 0 | 0 | 106.7 | V40 T44 | V40-T42 PolarHBondContact O-N 3.37Å; T42-T44 PolarHBondContact O-N 3.16Å |
| 43 | S | 55 | Low | 63.9 | Low | 121 Ų | 121 | 115.2 Ų | 115.2 | 85% | 0.846 | 65% | 0.645 | S | S | * | * | | | trans | -65.6 | 69.1 | 168.4 | -69.8 | 0 | 0 | 0 | 0 | 108.5 | A41 E45 | A41-S43 VanDerWaalsContact C-N 3.32Å; A41-S43 PolarHBondContact O-N 3.06Å; S43-E45 PolarHBondContact O-N 2.94Å |
| 44 | T | 57.3 | Low | 64.8 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | | | trans | -67.8 | 94.3 | 158.6 | -52.4 | 0 | 0 | 0 | 0 | 103.8 | T42 L46 | T42-T44 PolarHBondContact O-N 3.16Å; T44-L46 VanDerWaalsContact C-N 3.27Å; T44-L46 PolarHBondContact O-N 3.22Å |
| 45 | E | 64.7 | Low | 65.9 | Low | 180 Ų | 180 | 110.7 Ų | 110.7 | 84% | 0.841 | 62% | 0.623 | S | S | * | * | | | trans | -50.9 | 102.4 | 163.5 | -179.9 | 149.9 | 79.6 | 0 | 0 | 105.8 | S43 D47 | S43-E45 PolarHBondContact O-N 2.94Å; E45-D47 PolarHBondContact O-N 3.45Å; E45-D47 VanDerWaalsContact O-N 3.08Å |
| 46 | L | 70.3 | Confident | 67.1 | Low | 121 Ų | 121 | 105.6 Ų | 105.6 | 63% | 0.634 | 59% | 0.591 | S | S | * | * | | | trans | -63.6 | 118.1 | 176.8 | -86.9 | 167.9 | 0 | 0 | 0 | 105.6 | T44 P48 I51 | T44-L46 VanDerWaalsContact C-N 3.27Å; T44-L46 PolarHBondContact O-N 3.22Å; L46-P48 WeakPolarHBondContact O-CD 3.32Å; L46-P48 VanDerWaalsContact O-N 3.08Å; L46-I51 HydrophobicContact CB-CD1 4Å; L46-I51 HydrophobicContact CB-CG1 4.18Å |
| 47 | D | 76 | Confident | 68.4 | Low | 80 Ų | 80 | 104.5 Ų | 104.5 | 43% | 0.428 | 59% | 0.593 | S | S | . | * | | | trans | -48.6 | 117.8 | 176.4 | 172.1 | 46.5 | 0 | 0 | 0 | 108.4 | E45 Q49 A50 I51 | E45-D47 PolarHBondContact O-N 3.45Å; E45-D47 VanDerWaalsContact O-N 3.08Å; D47-Q49 PolarHBondContact O-N 3.46Å; D47-Q49 VanDerWaalsContact OD1-CD 3.28Å; D47-Q49 PolarHBondContact OD1-NE2 2.93Å; D47-Q49 PolarHBondContact OD1-OE1 3.22Å; D47-Q49 WeakPolarHBondContact OD2-CB 3.4Å; D47-A50 HydrophobicContact CB-CB 4.03Å; D47-A50 WeakPolarHBondContact O-CA 3.48Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.31Å; D47-A50 PolarHBondContact O-N 3.4Å; D47-A50 PolarHBondContact OD2-N 2.98Å; D47-A50 VanDerWaalsContact OD2-N 3.13Å; D47-I51 PolarHBondContact O-N 3.49Å; D47-I51 VanDerWaalsContact O-N 3.16Å |
| 48 | P | 77.5 | Confident | 69.7 | Low | 83 Ų | 83 | 103 Ų | 103 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.7 | -27.6 | -176 | 6.1 | -11.3 | 0 | 0 | 0 | 111.5 | L46 I51 F52 | L46-P48 WeakPolarHBondContact O-CD 3.32Å; L46-P48 VanDerWaalsContact O-N 3.08Å; P48-I51 PolarHBondContact O-N 3.41Å; P48-F52 PolarHBondContact O-N 2.9Å |
| 49 | Q | 81.9 | Confident | 71.2 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.6 | -41.8 | 174.1 | -63.2 | 81.6 | -68.2 | 0 | 0 | 111.2 | D47 I51 F52 Q53 | D47-Q49 PolarHBondContact O-N 3.46Å; D47-Q49 VanDerWaalsContact OD1-CD 3.28Å; D47-Q49 PolarHBondContact OD1-NE2 2.93Å; D47-Q49 PolarHBondContact OD1-OE1 3.22Å; D47-Q49 WeakPolarHBondContact OD2-CB 3.4Å; Q49-I51 VanDerWaalsContact C-N 3.3Å; Q49-I51 PolarHBondContact O-N 2.99Å; Q49-F52 PolarHBondContact O-N 3.44Å; Q49-Q53 WeakPolarHBondContact O-CG 3.31Å; Q49-Q53 PolarHBondContact O-N 3.39Å |
| 50 | A | 81 | Confident | 72.4 | Confident | 48 Ų | 48 | 95.7 Ų | 95.7 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60 | -38.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D47 Q53 S54 | D47-A50 HydrophobicContact CB-CB 4.03Å; D47-A50 WeakPolarHBondContact O-CA 3.48Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.31Å; D47-A50 PolarHBondContact O-N 3.4Å; D47-A50 PolarHBondContact OD2-N 2.98Å; D47-A50 VanDerWaalsContact OD2-N 3.13Å; A50-Q53 PolarHBondContact O-N 2.87Å; A50-S54 WeakPolarHBondContact O-CB 3.43Å; A50-S54 PolarHBondContact O-N 2.84Å |
| 51 | I | 81.9 | Confident | 73.4 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -47 | 175 | -61.3 | 173.3 | 0 | 0 | 0 | 110.2 | L46 D47 P48 Q49 Q53 S54 I55 | L46-I51 HydrophobicContact CB-CD1 4Å; L46-I51 HydrophobicContact CB-CG1 4.18Å; D47-I51 PolarHBondContact O-N 3.49Å; D47-I51 VanDerWaalsContact O-N 3.16Å; P48-I51 PolarHBondContact O-N 3.41Å; Q49-I51 VanDerWaalsContact C-N 3.3Å; Q49-I51 PolarHBondContact O-N 2.99Å; I51-Q53 PolarHBondContact O-N 3.17Å; I51-S54 WeakPolarHBondContact O-CB 3.3Å; I51-S54 PolarHBondContact O-N 3.02Å; I51-I55 HydrophobicContact CG2-CD1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.47Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.32Å; I51-I55 PolarHBondContact O-N 3.28Å |
| 52 | F | 80.7 | Confident | 74.2 | Confident | 119 Ų | 119 | 96 Ų | 96 | 52% | 0.522 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.8 | -45.1 | 179.1 | -174.1 | -110.4 | 0 | 0 | 0 | 112 | P48 Q49 S54 I55 L56 | P48-F52 PolarHBondContact O-N 2.9Å; Q49-F52 PolarHBondContact O-N 3.44Å; F52-S54 VanDerWaalsContact C-N 3.33Å; F52-S54 PolarHBondContact O-N 3.38Å; F52-I55 PolarHBondContact O-N 3.17Å; F52-L56 HydrophobicContact CD1-CD1 3.46Å; F52-L56 VanDerWaalsContact CD1-CD1 3.46Å; F52-L56 HydrophobicContact CD1-CG 4.39Å; F52-L56 HydrophobicContact CE1-CD1 3.24Å; F52-L56 HydrophobicContact CE1-CG 4.18Å; F52-L56 HydrophobicContact CE2-CD1 4.42Å; F52-L56 HydrophobicContact CG-CD1 4.17Å; F52-L56 HydrophobicContact CZ-CD1 3.77Å; F52-L56 HydrophobicContact CZ-CD2 4.33Å; F52-L56 HydrophobicContact CZ-CG 4.25Å; F52-L56 WeakPolarHBondContact O-CD1 3.39Å; F52-L56 VanDerWaalsContact O-CG 3.27Å; F52-L56 WeakPolarHBondContact O-CG 3.25Å; F52-L56 PolarHBondContact O-N 3.35Å |
| 53 | Q | 82.1 | Confident | 74.9 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -38.7 | 176.3 | -66.1 | -61.2 | -18.6 | 0 | 0 | 112.2 | Q49 A50 I51 L56 A57 | Q49-Q53 WeakPolarHBondContact O-CG 3.31Å; Q49-Q53 PolarHBondContact O-N 3.39Å; A50-Q53 PolarHBondContact O-N 2.87Å; I51-Q53 PolarHBondContact O-N 3.17Å; Q53-L56 PolarHBondContact O-N 2.89Å; Q53-A57 VanDerWaalsContact O-CB 3.31Å; Q53-A57 WeakPolarHBondContact O-CB 3.4Å; Q53-A57 PolarHBondContact O-N 2.92Å |
| 54 | S | 81.5 | Confident | 75.2 | Confident | 73 Ų | 73 | 96 Ų | 96 | 51% | 0.51 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.6 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | A50 I51 F52 A57 E58 | A50-S54 WeakPolarHBondContact O-CB 3.43Å; A50-S54 PolarHBondContact O-N 2.84Å; I51-S54 WeakPolarHBondContact O-CB 3.3Å; I51-S54 PolarHBondContact O-N 3.02Å; F52-S54 VanDerWaalsContact C-N 3.33Å; F52-S54 PolarHBondContact O-N 3.38Å; S54-A57 PolarHBondContact O-N 2.85Å; S54-E58 WeakPolarHBondContact O-CB 3.27Å; S54-E58 PolarHBondContact O-N 3Å |
| 55 | I | 82.9 | Confident | 75.2 | Confident | 84 Ų | 84 | 95 Ų | 95 | 43% | 0.431 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.3 | -66.6 | 163.1 | 0 | 0 | 0 | 110.7 | I51 F52 E58 A59 | I51-I55 HydrophobicContact CG2-CD1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.47Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.32Å; I51-I55 PolarHBondContact O-N 3.28Å; F52-I55 PolarHBondContact O-N 3.17Å; I55-E58 PolarHBondContact O-N 3.2Å; I55-A59 VanDerWaalsContact O-CB 3.25Å; I55-A59 WeakPolarHBondContact O-CB 3.43Å; I55-A59 PolarHBondContact O-N 2.88Å |
| 56 | L | 82.9 | Confident | 74.6 | Confident | 16 Ų | 16 | 91.4 Ų | 91.4 | 8% | 0.084 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177 | -73.6 | 165.8 | 0 | 0 | 0 | 111.9 | F52 Q53 A59 G60 M61 V63 | F52-L56 HydrophobicContact CD1-CD1 3.46Å; F52-L56 VanDerWaalsContact CD1-CD1 3.46Å; F52-L56 HydrophobicContact CD1-CG 4.39Å; F52-L56 HydrophobicContact CE1-CD1 3.24Å; F52-L56 HydrophobicContact CE1-CG 4.18Å; F52-L56 HydrophobicContact CE2-CD1 4.42Å; F52-L56 HydrophobicContact CG-CD1 4.17Å; F52-L56 HydrophobicContact CZ-CD1 3.77Å; F52-L56 HydrophobicContact CZ-CD2 4.33Å; F52-L56 HydrophobicContact CZ-CG 4.25Å; F52-L56 WeakPolarHBondContact O-CD1 3.39Å; F52-L56 VanDerWaalsContact O-CG 3.27Å; F52-L56 WeakPolarHBondContact O-CG 3.25Å; F52-L56 PolarHBondContact O-N 3.35Å; Q53-L56 PolarHBondContact O-N 2.89Å; L56-A59 PolarHBondContact O-N 2.86Å; L56-G60 PolarHBondContact O-N 3.32Å; L56-M61 CarbonylContact C-O 3.5Å; L56-M61 WeakPolarHBondContact CB-O 3.47Å; L56-M61 HydrophobicContact CD2-CB 3.96Å; L56-M61 CarbonylContact O-C 3.58Å; L56-M61 PolarHBondContact O-N 2.88Å; L56-V63 HydrophobicContact CD1-CG2 3.19Å; L56-V63 HydrophobicContact CD2-CG2 3.82Å; L56-V63 HydrophobicContact CG-CG2 4.06Å |
| 57 | A | 81 | Confident | 73.9 | Confident | 78 Ų | 78 | 90.8 Ų | 90.8 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.6 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q53 S54 G60 | Q53-A57 VanDerWaalsContact O-CB 3.31Å; Q53-A57 WeakPolarHBondContact O-CB 3.4Å; Q53-A57 PolarHBondContact O-N 2.92Å; S54-A57 PolarHBondContact O-N 2.85Å; A57-G60 PolarHBondContact O-N 3.07Å |
| 58 | E | 81.8 | Confident | 73.2 | Confident | 137 Ų | 137 | 90.9 Ų | 90.9 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 177.2 | -176.4 | 175.9 | 179.3 | 0 | 0 | 112.2 | S54 I55 G60 | S54-E58 WeakPolarHBondContact O-CB 3.27Å; S54-E58 PolarHBondContact O-N 3Å; I55-E58 PolarHBondContact O-N 3.2Å; E58-G60 PolarHBondContact O-N 3.2Å |
| 59 | A | 82.2 | Confident | 72.1 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -3.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I55 L56 M61 | I55-A59 VanDerWaalsContact O-CB 3.25Å; I55-A59 WeakPolarHBondContact O-CB 3.43Å; I55-A59 PolarHBondContact O-N 2.88Å; L56-A59 PolarHBondContact O-N 2.86Å; A59-M61 HydrophobicContact CB-CB 4.24Å; A59-M61 HydrophobicContact CB-CG 3.94Å; A59-M61 HydrophobicContact CB-SD 3.83Å; A59-M61 PolarHBondContact O-N 3Å |
| 60 | G | 76.9 | Confident | 70.9 | Confident | 69 Ų | 69 | 91.5 Ų | 91.5 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 18.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L56 A57 E58 S62 | L56-G60 PolarHBondContact O-N 3.32Å; A57-G60 PolarHBondContact O-N 3.07Å; E58-G60 PolarHBondContact O-N 3.2Å; G60-S62 PolarHBondContact O-N 3Å |
| 61 | M | 68.8 | Low | 70 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | | | trans | -90.9 | 97.1 | 178.6 | -73.1 | 170.2 | 68.8 | 0 | 0 | 107.7 | L56 A59 V63 | L56-M61 CarbonylContact C-O 3.5Å; L56-M61 WeakPolarHBondContact CB-O 3.47Å; L56-M61 HydrophobicContact CD2-CB 3.96Å; L56-M61 CarbonylContact O-C 3.58Å; L56-M61 PolarHBondContact O-N 2.88Å; A59-M61 HydrophobicContact CB-CB 4.24Å; A59-M61 HydrophobicContact CB-CG 3.94Å; A59-M61 HydrophobicContact CB-SD 3.83Å; A59-M61 PolarHBondContact O-N 3Å; M61-V63 PolarHBondContact O-N 2.94Å |
| 62 | S | 64.7 | Low | 68.7 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | | | trans | -63.9 | 127.6 | 160.7 | 48 | 0 | 0 | 0 | 0 | 108.1 | G60 E64 | G60-S62 PolarHBondContact O-N 3Å; S62-E64 PolarHBondContact O-N 2.8Å |
| 63 | V | 62 | Low | 67.5 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 52% | 0.515 | 63% | 0.631 | S | S | . | * | | | trans | -69.1 | 82.1 | 164.1 | 173.7 | 0 | 0 | 0 | 0 | 106.6 | L56 M61 A65 | L56-V63 HydrophobicContact CD1-CG2 3.19Å; L56-V63 HydrophobicContact CD2-CG2 3.82Å; L56-V63 HydrophobicContact CG-CG2 4.06Å; M61-V63 PolarHBondContact O-N 2.94Å; V63-A65 HydrophobicContact CG1-CB 4.41Å; V63-A65 PolarHBondContact O-N 3.16Å |
| 64 | E | 60.6 | Low | 66.1 | Low | 161 Ų | 161 | 105.1 Ų | 105.1 | 75% | 0.752 | 65% | 0.646 | S | S | * | * | | | trans | -66.4 | 94.9 | 155.2 | -67.6 | -90.7 | 97.7 | 0 | 0 | 103.6 | S62 S66 | S62-E64 PolarHBondContact O-N 2.8Å; E64-S66 PolarHBondContact O-N 2.85Å |
| 65 | A | 56.9 | Low | 64.6 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | | | trans | -63.7 | 79.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | V63 S67 | V63-A65 HydrophobicContact CG1-CB 4.41Å; V63-A65 PolarHBondContact O-N 3.16Å; A65-S67 PolarHBondContact O-N 2.81Å |
| 66 | S | 54 | Low | 63.5 | Low | 105 Ų | 105 | 111 Ų | 111 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | | | trans | -68.7 | 75 | 164.7 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | E64 A68 | E64-S66 PolarHBondContact O-N 2.85Å; S66-A68 PolarHBondContact O-N 3.18Å |
| 67 | S | 55.4 | Low | 62.3 | Low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | | | trans | -66.7 | 71.3 | 160 | 178 | 0 | 0 | 0 | 0 | 106.4 | A65 G69 | A65-S67 PolarHBondContact O-N 2.81Å; S67-G69 PolarHBondContact O-N 3.2Å |
| 68 | A | 61 | Low | 61.4 | Low | 82 Ų | 82 | 119.5 Ų | 119.5 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | -64.3 | 100.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | S66 D70 | S66-A68 PolarHBondContact O-N 3.18Å; A68-D70 PolarHBondContact O-N 3.5Å; A68-D70 VanDerWaalsContact O-N 3.08Å |
| 69 | G | 53.3 | Low | 60.2 | Low | 57 Ų | 57 | 122.1 Ų | 122.1 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | | | trans | -53.5 | 115.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | S67 D71 | S67-G69 PolarHBondContact O-N 3.2Å; G69-D71 PolarHBondContact O-N 3.15Å |
| 70 | D | 56.6 | Low | 59.1 | Low | 156 Ų | 156 | 124.1 Ų | 124.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | | | trans | -69.8 | 85.5 | 172.1 | -166.3 | 68.1 | 0 | 0 | 0 | 106.3 | A68 T72 | A68-D70 PolarHBondContact O-N 3.5Å; A68-D70 VanDerWaalsContact O-N 3.08Å; D70-T72 VanDerWaalsContact C-N 3.27Å; D70-T72 PolarHBondContact O-N 3.23Å |
| 71 | D | 63 | Low | 58.1 | Low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -59.4 | 96.2 | 160.9 | -93.3 | -59.9 | 0 | 0 | 0 | 107.1 | G69 E73 | G69-D71 PolarHBondContact O-N 3.15Å; D71-E73 PolarHBondContact O-N 3.39Å |
| 72 | T | 55 | Low | 57.5 | Low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | | | trans | 7 | 107.9 | 151.6 | -51.6 | 0 | 0 | 0 | 0 | 115.5 | D70 | D70-T72 VanDerWaalsContact C-N 3.27Å; D70-T72 PolarHBondContact O-N 3.23Å |
| 73 | E | 55.3 | Low | 57.1 | Low | 191 Ų | 191 | 131.8 Ų | 131.8 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | trans | -130.9 | 117.6 | 142.3 | -72 | -161.7 | 105.1 | 0 | 0 | 109 | D71 | D71-E73 PolarHBondContact O-N 3.39Š|
| 74 | E | 51.7 | Low | 57 | Low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -56.2 | 131.7 | 169.1 | -59 | -164.4 | 121.5 | 0 | 0 | 110.4 | | |
| 75 | E | 51.2 | Low | 56.9 | Low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -178.5 | 144.7 | 131.8 | -110 | -171.6 | 122.2 | 0 | 0 | 112.5 | | |
| 76 | S | 58.5 | Low | 57 | Low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | trans | 91.3 | 69.3 | 152.9 | 76.2 | 0 | 0 | 0 | 0 | 119.5 | N78 | S76-N78 PolarHBondContact O-N 3.41Š|
| 77 | D | 58.5 | Low | 57.3 | Low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -68.3 | 89.4 | 144.8 | -174.2 | 22.3 | 0 | 0 | 0 | 109.6 | | |
| 78 | N | 62.8 | Low | 57.5 | Low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | | | trans | -133.5 | 9.3 | 170.9 | 72.3 | 45.2 | 0 | 0 | 0 | 114 | S76 T80 | S76-N78 PolarHBondContact O-N 3.41Å; N78-T80 PolarHBondContact O-N 3.47Å |
| 79 | K | 55.5 | Low | 57.5 | Low | 192 Ų | 192 | 147.9 Ų | 147.9 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 31.4 | -166.9 | -145.9 | 175 | -174.8 | 172.1 | 0 | 114.2 | | |
| 80 | T | 59.3 | Low | 57.7 | Low | 102 Ų | 102 | 150.8 Ų | 150.8 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | -7.7 | -175.4 | 16.4 | 0 | 0 | 0 | 0 | 114.7 | N78 | N78-T80 PolarHBondContact O-N 3.47Š|
| 81 | E | 55.7 | Low | 57.8 | Low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -90.3 | -22.3 | -176.9 | -161.4 | 174.6 | 137.6 | 0 | 0 | 114.6 | | |
| 82 | M | 56.2 | Low | 57.8 | Low | 166 Ų | 166 | 142.8 Ų | 142.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -4.4 | -173.2 | -61 | -156.5 | -59.7 | 0 | 0 | 115.8 | | |
| 83 | V | 57.3 | Low | 58.1 | Low | 117 Ų | 117 | 145.4 Ų | 145.4 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -13.1 | -175.7 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 84 | Q | 58.5 | Low | 58.3 | Low | 165 Ų | 165 | 144.1 Ų | 144.1 | 77% | 0.771 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -96.9 | -17.2 | -175.3 | -62.3 | -167.9 | -1.6 | 0 | 0 | 114.7 | L86 | Q84-L86 PolarHBondContact O-N 2.9Š|
| 85 | K | 59.5 | Low | 58.7 | Low | 171 Ų | 171 | 143 Ų | 143 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -8.5 | -177.7 | -67.3 | -157.8 | 173.2 | -172.5 | 0 | 115.5 | | |
| 86 | L | 57.9 | Low | 58.8 | Low | 145 Ų | 145 | 141.5 Ų | 141.5 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -2.6 | -178 | -68.3 | 172.6 | 0 | 0 | 0 | 114.4 | Q84 | Q84-L86 PolarHBondContact O-N 2.9Š|
| 87 | K | 61 | Low | 58.8 | Low | 171 Ų | 171 | 144 Ų | 144 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -10.9 | -177.4 | -75.2 | -172 | 175.6 | -179.9 | 0 | 115.3 | V91 | K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.28Å |
| 88 | E | 59.4 | Low | 58.8 | Low | 171 Ų | 171 | 143.5 Ų | 143.5 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -32.5 | -176.5 | -158.2 | 169.8 | 130.6 | 0 | 0 | 112.9 | D90 | E88-D90 PolarHBondContact O-N 3.3Š|
| 89 | E | 60.6 | Low | 58.6 | Low | 141 Ų | 141 | 144.7 Ų | 144.7 | 66% | 0.659 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -25.1 | -178.1 | -164.7 | 177.3 | 90.7 | 0 | 0 | 113.5 | R93 | E89-R93 IonicContact OE1-NH2 2.9Å; E89-R93 PolarHBondContact OE1-NH2 3.26Å |
| 90 | D | 58.1 | Low | 58.8 | Low | 117 Ų | 117 | 141.9 Ų | 141.9 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -23.3 | -178.6 | -147.2 | 46.9 | 0 | 0 | 0 | 112.9 | E88 | E88-D90 PolarHBondContact O-N 3.3Š|
| 91 | V | 58.9 | Low | 58.8 | Low | 86 Ų | 86 | 144.4 Ų | 144.4 | 52% | 0.521 | 75% | 0.752 | S | S | . | * | G | 310 helix | trans | -76.2 | -27.7 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | K87 R93 M94 | K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.28Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.5Å; V91-M94 PolarHBondContact O-N 3.39Å |
| 92 | G | 61.9 | Low | 59 | Low | 56 Ų | 56 | 143.5 Ų | 143.5 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -71.9 | -17.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 93 | R | 62.1 | Low | 59.2 | Low | 170 Ų | 170 | 141.9 Ų | 141.9 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -92.5 | -8.8 | 179.9 | -52.3 | -167.7 | -139.8 | -102.1 | 1.8 | 113.7 | E89 V91 | E89-R93 IonicContact OE1-NH2 2.9Å; E89-R93 PolarHBondContact OE1-NH2 3.26Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.5Å |
| 94 | M | 59.3 | Low | 59.3 | Low | 164 Ų | 164 | 143.8 Ų | 143.8 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -93 | -8 | -179 | -112.3 | 173.3 | 53.3 | 0 | 0 | 113.9 | V91 | V91-M94 PolarHBondContact O-N 3.39Š|
| 95 | L | 59.8 | Low | 59.4 | Low | 155 Ų | 155 | 142 Ų | 142 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | -120.6 | 11.3 | -170.4 | -77.8 | 167 | 0 | 0 | 0 | 114.7 | | |
| 96 | A | 54.2 | Low | 59.4 | Low | 157 Ų | 157 | 139.4 Ų | 139.4 | 100% | 1.298 | 75% | 0.749 | S | S | * | * | | | trans | -102.7 | 0 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |