| 1 | P | 50 | Low | 53.5 | Low | 184 Ų | 184 | 145.5 Ų | 145.5 | 100% | 1.195 | 80% | 0.802 | S | S | * | * | | | | 0 | 102.1 | 0 | 24.9 | -2.6 | 0 | 0 | 0 | 111.7 | | |
| 2 | N | 47.1 | Very low | 53.8 | Low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -171.3 | 120.9 | 145.6 | -163.6 | -42.2 | 0 | 0 | 0 | 107.1 | | |
| 3 | I | 60.3 | Low | 53.9 | Low | 145 Ų | 145 | 139.7 Ų | 139.7 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -121.8 | 135.9 | 173.2 | -41 | 167.8 | 0 | 0 | 0 | 105.1 | | |
| 4 | Q | 48.8 | Very low | 54 | Low | 188 Ų | 188 | 140.1 Ų | 140.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | | 155 | 120.3 | 122.9 | -83.1 | 170.5 | -55.1 | 0 | 0 | 114 | | |
| 5 | G | 53.6 | Low | 54.1 | Low | 69 Ų | 69 | 142.1 Ų | 142.1 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | | 82.3 | 101.5 | 114.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 6 | S | 64.7 | Low | 54.3 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | | 45.9 | 122.4 | 129.5 | -55.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 7 | F | 52.2 | Low | 54.6 | Low | 159 Ų | 159 | 141.6 Ų | 141.6 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | | | | -160.2 | 139.6 | 113.3 | 49.9 | -90.6 | 0 | 0 | 0 | 111.3 | F9 | F7-F9 HydrophobicContact CD2-CE1 4.41Å; F7-F9 HydrophobicContact CD2-CZ 4.32Å; F7-F9 AromaticContact CE2-CE1 3.83Å; F7-F9 HydrophobicContact CE2-CE1 3.83Å; F7-F9 HydrophobicContact CE2-CE2 4.38Å; F7-F9 AromaticContact CE2-CZ 3.63Å; F7-F9 HydrophobicContact CE2-CZ 3.63Å; F7-F9 HydrophobicContact CZ-CZ 4.33Å; F7-F9 PolarHBondContact O-N 2.9Å |
| 8 | L | 58.7 | Low | 54.8 | Low | 167 Ų | 167 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -56.1 | 116.3 | -178.4 | -64.7 | 147.5 | 0 | 0 | 0 | 111.5 | N10 | L8-N10 PolarHBondContact O-N 2.79Š|
| 9 | F | 52.5 | Low | 55.1 | Low | 169 Ų | 169 | 140.2 Ų | 140.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -81.8 | 69.5 | 159.5 | -66.2 | -70.7 | 0 | 0 | 0 | 109.1 | F7 N11 | F7-F9 HydrophobicContact CD2-CE1 4.41Å; F7-F9 HydrophobicContact CD2-CZ 4.32Å; F7-F9 AromaticContact CE2-CE1 3.83Å; F7-F9 HydrophobicContact CE2-CE1 3.83Å; F7-F9 HydrophobicContact CE2-CE2 4.38Å; F7-F9 AromaticContact CE2-CZ 3.63Å; F7-F9 HydrophobicContact CE2-CZ 3.63Å; F7-F9 HydrophobicContact CZ-CZ 4.33Å; F7-F9 PolarHBondContact O-N 2.9Å; F9-N11 PolarHBondContact O-N 3.32Å |
| 10 | N | 50.7 | Low | 55.4 | Low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | -73.9 | 85.4 | 158.2 | -170.5 | -33.4 | 0 | 0 | 0 | 106.8 | L8 S12 | L8-N10 PolarHBondContact O-N 2.79Å; N10-S12 PolarHBondContact O-N 3.22Å; N10-S12 WeakPolarHBondContact OD1-CB 3.31Å; N10-S12 PolarHBondContact OD1-N 3.28Å; N10-S12 PolarHBondContact OD1-OG 3.07Å |
| 11 | N | 50 | Low | 55.9 | Low | 118 Ų | 118 | 143.2 Ų | 143.2 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | | | trans | -90.2 | 61.6 | 173.9 | -121.1 | -62.8 | 0 | 0 | 0 | 109.2 | F9 L13 | F9-N11 PolarHBondContact O-N 3.32Å; N11-L13 PolarHBondContact O-N 2.95Å; N11-L13 VanDerWaalsContact O-N 3.08Å; N11-L13 WeakPolarHBondContact OD1-CD1 3.21Å |
| 12 | S | 56.7 | Low | 56.6 | Low | 83 Ų | 83 | 137.5 Ų | 137.5 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | | | trans | -77.6 | 51.1 | 160.4 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | N10 N14 | N10-S12 PolarHBondContact O-N 3.22Å; N10-S12 WeakPolarHBondContact OD1-CB 3.31Å; N10-S12 PolarHBondContact OD1-N 3.28Å; N10-S12 PolarHBondContact OD1-OG 3.07Å; S12-N14 PolarHBondContact O-N 3.1Å |
| 13 | L | 54.9 | Low | 57.4 | Low | 132 Ų | 132 | 135.8 Ų | 135.8 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | trans | -80.2 | 60.5 | 162.8 | -79.2 | 170.3 | 0 | 0 | 0 | 108.2 | N11 | N11-L13 PolarHBondContact O-N 2.95Å; N11-L13 VanDerWaalsContact O-N 3.08Å; N11-L13 WeakPolarHBondContact OD1-CD1 3.21Å |
| 14 | N | 55.7 | Low | 57.9 | Low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | | | trans | -66.1 | 138.4 | 149.8 | -84.4 | -69.2 | 0 | 0 | 0 | 106.9 | S12 | S12-N14 PolarHBondContact O-N 3.1Š|
| 15 | Q | 56.1 | Low | 59 | Low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | 86.2 | 70.6 | 152.6 | -153 | 168.6 | 62.7 | 0 | 0 | 116.8 | P17 | Q15-P17 HydrophobicContact CG-CG 4.44Š|
| 16 | F | 56.3 | Low | 59.7 | Low | 186 Ų | 186 | 134.7 Ų | 134.7 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | | | trans | -89.2 | 117.6 | 130.3 | -67.3 | -69.9 | 0 | 0 | 0 | 106.9 | S18 | F16-S18 PolarHBondContact O-N 2.79Š|
| 17 | P | 59.6 | Low | 59.2 | Low | 90 Ų | 90 | 139.1 Ų | 139.1 | 58% | 0.584 | 73% | 0.73 | S | S | * | * | | | trans | -60.5 | 114.5 | 169.9 | -12.8 | 26.1 | 0 | 0 | 0 | 106.9 | Q15 D19 | Q15-P17 HydrophobicContact CG-CG 4.44Å; P17-D19 PolarHBondContact O-N 2.78Å |
| 18 | S | 59.2 | Low | 60 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -1.7 | 173.5 | 40.7 | 0 | 0 | 0 | 0 | 113 | F16 L20 | F16-S18 PolarHBondContact O-N 2.79Å; S18-L20 PolarHBondContact O-N 3.23Å |
| 19 | D | 59.1 | Low | 60.4 | Low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 25.3 | -174.9 | -54.8 | -44.3 | 0 | 0 | 0 | 113.5 | P17 K21 | P17-D19 PolarHBondContact O-N 2.78Å; D19-K21 PolarHBondContact O-N 2.95Å |
| 20 | L | 61.3 | Low | 60.9 | Low | 163 Ų | 163 | 131.3 Ų | 131.3 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | | | trans | -74.5 | 74.5 | 164.5 | -157.9 | 80.5 | 0 | 0 | 0 | 108.7 | S18 A22 | S18-L20 PolarHBondContact O-N 3.23Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.9Å |
| 21 | K | 65.6 | Low | 61.4 | Low | 180 Ų | 180 | 131.7 Ų | 131.7 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | | | trans | -65.1 | 98 | 170.8 | 180 | 134 | -179.9 | 173.7 | 0 | 107.9 | D19 | D19-K21 PolarHBondContact O-N 2.95Š|
| 22 | A | 66.3 | Low | 61.9 | Low | 65 Ų | 65 | 130.4 Ų | 130.4 | 54% | 0.537 | 72% | 0.724 | S | S | . | * | | | trans | -54.6 | 137.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L20 V24 | L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.9Å; A22-V24 PolarHBondContact O-N 3.05Å |
| 23 | P | 62.3 | Low | 62.1 | Low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | | | trans | -59.6 | 111.2 | 175.8 | 24.1 | -31.8 | 0 | 0 | 0 | 108.5 | C25 | P23-C25 PolarHBondContact O-N 3.28Š|
| 24 | V | 72.3 | Confident | 62.2 | Low | 116 Ų | 116 | 138.4 Ų | 138.4 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | | | trans | -78.2 | 104 | 172.9 | 178 | 0 | 0 | 0 | 0 | 106.3 | A22 Q26 | A22-V24 PolarHBondContact O-N 3.05Å; V24-Q26 PolarHBondContact O-N 2.94Å; V24-Q26 VanDerWaalsContact O-N 3.11Å |
| 25 | C | 70.9 | Confident | 62.1 | Low | 88 Ų | 88 | 139.5 Ų | 139.5 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | | | trans | -67.2 | 109.3 | 171.1 | -63.8 | 0 | 0 | 0 | 0 | 108.4 | P23 Y27 | P23-C25 PolarHBondContact O-N 3.28Å; C25-Y27 HydrophobicContact CB-CE2 4.26Å; C25-Y27 WeakPolarHBondContact O-CD2 3.05Å; C25-Y27 PolarHBondContact O-N 2.92Å; C25-Y27 VanDerWaalsContact O-N 3.1Å |
| 26 | Q | 68.3 | Low | 62 | Low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -65.4 | 108.2 | 169.6 | -87.3 | -176.1 | -27.5 | 0 | 0 | 109 | V24 S28 | V24-Q26 PolarHBondContact O-N 2.94Å; V24-Q26 VanDerWaalsContact O-N 3.11Å; Q26-S28 VanDerWaalsContact C-N 3.31Å; Q26-S28 PolarHBondContact O-N 2.82Å; Q26-S28 VanDerWaalsContact O-N 3.09Å |
| 27 | Y | 54.9 | Low | 62 | Low | 213 Ų | 213 | 135.3 Ų | 135.3 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | | | trans | -80.2 | 82.8 | 167.2 | -72.7 | -85.5 | 0 | 0 | 0 | 108.9 | C25 V29 | C25-Y27 HydrophobicContact CB-CE2 4.26Å; C25-Y27 WeakPolarHBondContact O-CD2 3.05Å; C25-Y27 PolarHBondContact O-N 2.92Å; C25-Y27 VanDerWaalsContact O-N 3.1Å; Y27-V29 PolarHBondContact O-N 2.99Å |
| 28 | S | 69.3 | Low | 61.6 | Low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -78.5 | 103.1 | 164.2 | -59.9 | 0 | 0 | 0 | 0 | 107.9 | Q26 P30 | Q26-S28 VanDerWaalsContact C-N 3.31Å; Q26-S28 PolarHBondContact O-N 2.82Å; Q26-S28 VanDerWaalsContact O-N 3.09Å; S28-P30 VanDerWaalsContact O-CD 3.27Å; S28-P30 WeakPolarHBondContact O-CD 2.91Å |
| 29 | V | 65.8 | Low | 61.5 | Low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | | | trans | -77.5 | 114 | 167.9 | -158.9 | 0 | 0 | 0 | 0 | 106.4 | Y27 N31 | Y27-V29 PolarHBondContact O-N 2.99Å; V29-N31 PolarHBondContact O-N 3.5Å |
| 30 | P | 63.4 | Low | 61.2 | Low | 101 Ų | 101 | 135.9 Ų | 135.9 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | | | trans | -59.2 | 129.5 | 174.2 | -17.4 | 30.7 | 0 | 0 | 0 | 107.9 | S28 S32 | S28-P30 VanDerWaalsContact O-CD 3.27Å; S28-P30 WeakPolarHBondContact O-CD 2.91Å; P30-S32 VanDerWaalsContact C-N 3.32Å; P30-S32 PolarHBondContact O-N 3.39Å; P30-S32 PolarHBondContact O-OG 2.79Å |
| 31 | N | 61.3 | Low | 60.8 | Low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | trans | -66.3 | 94 | 174.7 | -173.2 | -13.2 | 0 | 0 | 0 | 108.6 | V29 F33 | V29-N31 PolarHBondContact O-N 3.5Å; N31-F33 PolarHBondContact O-N 3.03Å; N31-F33 WeakPolarHBondContact OD1-CB 3.3Å; N31-F33 WeakPolarHBondContact OD1-CD2 3.2Å; N31-F33 PolarHBondContact OD1-N 3.19Å |
| 32 | S | 60.6 | Low | 60.3 | Low | 91 Ų | 91 | 131.3 Ų | 131.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -78.4 | 1.1 | -177.7 | -56.3 | 0 | 0 | 0 | 0 | 113.5 | P30 Y34 | P30-S32 VanDerWaalsContact C-N 3.32Å; P30-S32 PolarHBondContact O-N 3.39Å; P30-S32 PolarHBondContact O-OG 2.79Å; S32-Y34 PolarHBondContact O-N 3.21Å |
| 33 | F | 61.6 | Low | 60.1 | Low | 167 Ų | 167 | 135.1 Ų | 135.1 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -64.1 | -13.4 | -167.7 | -86.3 | -86 | 0 | 0 | 0 | 114.9 | N31 | N31-F33 PolarHBondContact O-N 3.03Å; N31-F33 WeakPolarHBondContact OD1-CB 3.3Å; N31-F33 WeakPolarHBondContact OD1-CD2 3.2Å; N31-F33 PolarHBondContact OD1-N 3.19Å |
| 34 | Y | 55.6 | Low | 59.9 | Low | 216 Ų | 216 | 133.5 Ų | 133.5 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -146.1 | 16.7 | 179.1 | -62.8 | -73.1 | 0 | 0 | 0 | 117.5 | S32 | S32-Y34 PolarHBondContact O-N 3.21Š|
| 35 | K | 55.2 | Low | 59.2 | Low | 169 Ų | 169 | 135.4 Ų | 135.4 | 74% | 0.735 | 72% | 0.72 | S | S | * | * | | | trans | -127.8 | 63.8 | 176.4 | -74.3 | -173 | -179.8 | 178.8 | 0 | 113 | N37 | K35-N37 PolarHBondContact O-N 2.64Å; K35-N37 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 53.9 | Low | 58.3 | Low | 170 Ų | 170 | 136.9 Ų | 136.9 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | | | trans | -75.1 | 77.9 | 149.6 | -64.8 | 178 | 0 | 0 | 0 | 107.7 | P38 | L36-P38 WeakPolarHBondContact O-CD 3.43Š|
| 37 | N | 54.5 | Low | 58 | Low | 98 Ų | 98 | 132.3 Ų | 132.3 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | | | trans | -77.5 | 121.6 | 162.3 | -81.3 | -49.2 | 0 | 0 | 0 | 106.9 | K35 G39 | K35-N37 PolarHBondContact O-N 2.64Å; K35-N37 VanDerWaalsContact O-N 3.08Å; N37-G39 PolarHBondContact O-N 2.92Å |
| 38 | P | 52.9 | Low | 58.4 | Low | 145 Ų | 145 | 124.6 Ų | 124.6 | 94% | 0.942 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 11.2 | 177.2 | -16.3 | 30 | 0 | 0 | 0 | 114.3 | L36 | L36-P38 WeakPolarHBondContact O-CD 3.43Š|
| 39 | G | 57.4 | Low | 58.1 | Low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 10.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N37 N41 | N37-G39 PolarHBondContact O-N 2.92Å; G39-N41 PolarHBondContact O-N 3.49Å |
| 40 | L | 50.8 | Low | 58.1 | Low | 151 Ų | 151 | 123.1 Ų | 123.1 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -85.9 | 71.9 | 165.2 | -82 | 166.1 | 0 | 0 | 0 | 109.4 | | |
| 41 | N | 53.2 | Low | 58.3 | Low | 106 Ų | 106 | 120.6 Ų | 120.6 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | | | trans | 46.8 | 87.7 | 136.4 | -153.7 | -102.1 | 0 | 0 | 0 | 114.3 | G39 Q43 | G39-N41 PolarHBondContact O-N 3.49Å; N41-Q43 PolarHBondContact O-N 3.03Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.45Å |
| 42 | T | 56.1 | Low | 58.7 | Low | 142 Ų | 142 | 119.9 Ų | 119.9 | 87% | 0.871 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -56.1 | 7.1 | 161.9 | 38.1 | 0 | 0 | 0 | 0 | 114.4 | L44 | T42-L44 PolarHBondContact O-N 3.17Š|
| 43 | Q | 61.7 | Low | 59.1 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 67% | 0.673 | 67% | 0.67 | S | S | * | * | | | trans | -88 | 82.8 | 173.7 | -155.8 | -178.6 | -24.7 | 0 | 0 | 108.4 | N41 | N41-Q43 PolarHBondContact O-N 3.03Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.45Å |
| 44 | L | 59 | Low | 59.3 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 46% | 0.461 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 146.6 | 163.4 | -63.1 | 170.7 | 0 | 0 | 0 | 108.8 | T42 T48 | T42-L44 PolarHBondContact O-N 3.17Å; L44-T48 HydrophobicContact CB-CG2 4.18Å; L44-T48 HydrophobicContact CD1-CG2 3.99Å; L44-T48 HydrophobicContact CD2-CG2 4.46Å; L44-T48 HydrophobicContact CG-CG2 4.45Å |
| 45 | Q | 56.1 | Low | 59.9 | Low | 155 Ų | 155 | 109.5 Ų | 109.5 | 72% | 0.724 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 138.7 | 176.3 | -79.4 | -82.5 | -34.1 | 0 | 0 | 109.6 | G47 T48 | Q45-G47 PolarHBondContact O-N 2.84Å; Q45-G47 VanDerWaalsContact O-N 3.1Å; Q45-T48 PolarHBondContact O-N 3.08Å; Q45-T48 PolarHBondContact O-OG1 3.16Å |
| 46 | P | 53.4 | Low | 60.7 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | 121.1 | 178 | -24.6 | 32.6 | 0 | 0 | 0 | 110.6 | | |
| 47 | G | 61.7 | Low | 61.4 | Low | 78 Ų | 78 | 104.1 Ų | 104.1 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.1 | 3.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q45 | Q45-G47 PolarHBondContact O-N 2.84Å; Q45-G47 VanDerWaalsContact O-N 3.1Å |
| 48 | T | 63.2 | Low | 62.2 | Low | 52 Ų | 52 | 108 Ų | 108 | 32% | 0.319 | 63% | 0.634 | S | S | . | * | | | trans | -71.3 | 132.1 | 168.6 | -46.7 | 0 | 0 | 0 | 0 | 108.9 | L44 Q45 H50 | L44-T48 HydrophobicContact CB-CG2 4.18Å; L44-T48 HydrophobicContact CD1-CG2 3.99Å; L44-T48 HydrophobicContact CD2-CG2 4.46Å; L44-T48 HydrophobicContact CG-CG2 4.45Å; Q45-T48 PolarHBondContact O-N 3.08Å; Q45-T48 PolarHBondContact O-OG1 3.16Å; T48-H50 VanDerWaalsContact C-N 3.32Å; T48-H50 PolarHBondContact O-CD2 3.16Å; T48-H50 PolarHBondContact O-N 2.89Å |
| 49 | P | 61.8 | Low | 62.3 | Low | 124 Ų | 124 | 105.7 Ų | 105.7 | 81% | 0.805 | 62% | 0.621 | S | S | * | * | | | trans | -66.1 | 96.4 | 173.9 | -12.7 | 26 | 0 | 0 | 0 | 108.4 | G51 | P49-G51 PolarHBondContact O-N 3.46Å; P49-G51 VanDerWaalsContact O-N 3.16Å |
| 50 | H | 66.3 | Low | 62.4 | Low | 74 Ų | 74 | 111.3 Ų | 111.3 | 34% | 0.343 | 63% | 0.633 | S | S | . | * | | | trans | -67.6 | 114.2 | 173.4 | -60.3 | -103.9 | 0 | 0 | 0 | 107.4 | T48 D54 | T48-H50 VanDerWaalsContact C-N 3.32Å; T48-H50 PolarHBondContact O-CD2 3.16Å; T48-H50 PolarHBondContact O-N 2.89Å; H50-D54 HydrophobicContact CB-CB 4.07Å; H50-D54 VanDerWaalsContact CB-OD1 3.3Å; H50-D54 WeakPolarHBondContact CB-OD1 3.42Å; H50-D54 WeakPolarHBondContact CB-OD2 3.27Å; H50-D54 IonicContact CD2-OD2 3.19Å; H50-D54 IonicContact CG-OD1 3.75Å; H50-D54 IonicContact CG-OD2 3.49Å; H50-D54 IonicContact ND1-OD1 3.57Å; H50-D54 PolarHBondContact ND1-OD1 3.22Å; H50-D54 IonicContact ND1-OD2 3.16Å |
| 51 | G | 68.4 | Low | 62.5 | Low | 49 Ų | 49 | 110.4 Ų | 110.4 | 51% | 0.505 | 63% | 0.633 | S | S | . | * | | | trans | -67.1 | -159 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P49 S53 D54 | P49-G51 PolarHBondContact O-N 3.46Å; P49-G51 VanDerWaalsContact O-N 3.16Å; G51-S53 PolarHBondContact O-N 3.09Å; G51-D54 PolarHBondContact O-N 3.23Å; G51-D54 VanDerWaalsContact O-N 3.16Å |
| 52 | I | 69.3 | Low | 62.4 | Low | 117 Ų | 117 | 108.7 Ų | 108.7 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -18.1 | 179 | -167.1 | 153.8 | 0 | 0 | 0 | 114.2 | D54 I55 L56 | I52-D54 PolarHBondContact O-N 2.85Å; I52-I55 HydrophobicContact CG1-CB 4.45Å; I52-I55 HydrophobicContact CG1-CD1 4.49Å; I52-I55 WeakPolarHBondContact O-CB 3.43Å; I52-I55 PolarHBondContact O-N 3.27Å; I52-L56 HydrophobicContact CG1-CD1 4.1Å; I52-L56 HydrophobicContact CG1-CG 4.02Å; I52-L56 HydrophobicContact CG2-CD1 4.35Å; I52-L56 WeakPolarHBondContact O-CG 3.4Å; I52-L56 PolarHBondContact O-N 2.97Å |
| 53 | S | 68.8 | Low | 62.1 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 54% | 0.538 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -49.9 | -38.5 | 173.3 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | G51 I55 L56 S57 | G51-S53 PolarHBondContact O-N 3.09Å; S53-I55 VanDerWaalsContact C-N 3.34Å; S53-I55 PolarHBondContact O-N 3.34Å; S53-L56 PolarHBondContact O-N 3.12Å; S53-S57 WeakPolarHBondContact O-CB 3.41Å; S53-S57 PolarHBondContact O-N 3.03Å; S53-S57 PolarHBondContact O-OG 3.27Å |
| 54 | D | 65.8 | Low | 61.5 | Low | 62 Ų | 62 | 105.6 Ų | 105.6 | 33% | 0.332 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.3 | -32.9 | 178 | -88.2 | 14.6 | 0 | 0 | 0 | 113 | H50 G51 I52 R58 | H50-D54 HydrophobicContact CB-CB 4.07Å; H50-D54 VanDerWaalsContact CB-OD1 3.3Å; H50-D54 WeakPolarHBondContact CB-OD1 3.42Å; H50-D54 WeakPolarHBondContact CB-OD2 3.27Å; H50-D54 IonicContact CD2-OD2 3.19Å; H50-D54 IonicContact CG-OD1 3.75Å; H50-D54 IonicContact CG-OD2 3.49Å; H50-D54 IonicContact ND1-OD1 3.57Å; H50-D54 PolarHBondContact ND1-OD1 3.22Å; H50-D54 IonicContact ND1-OD2 3.16Å; G51-D54 PolarHBondContact O-N 3.23Å; G51-D54 VanDerWaalsContact O-N 3.16Å; I52-D54 PolarHBondContact O-N 2.85Å; D54-R58 VanDerWaalsContact O-CG 3.31Å; D54-R58 WeakPolarHBondContact O-CG 3.4Å; D54-R58 PolarHBondContact O-N 3.28Å |
| 55 | I | 67.6 | Low | 60.6 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 61% | 0.605 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.1 | -42.7 | 179.1 | -58.6 | 172.9 | 0 | 0 | 0 | 109.2 | I52 S53 | I52-I55 HydrophobicContact CG1-CB 4.45Å; I52-I55 HydrophobicContact CG1-CD1 4.49Å; I52-I55 WeakPolarHBondContact O-CB 3.43Å; I52-I55 PolarHBondContact O-N 3.27Å; S53-I55 VanDerWaalsContact C-N 3.34Å; S53-I55 PolarHBondContact O-N 3.34Å |
| 56 | L | 73.1 | Confident | 60.3 | Low | 130 Ų | 130 | 106.2 Ų | 106.2 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.5 | -25.6 | -179.9 | -59.5 | 175.7 | 0 | 0 | 0 | 112.9 | I52 S53 | I52-L56 HydrophobicContact CG1-CD1 4.1Å; I52-L56 HydrophobicContact CG1-CG 4.02Å; I52-L56 HydrophobicContact CG2-CD1 4.35Å; I52-L56 WeakPolarHBondContact O-CG 3.4Å; I52-L56 PolarHBondContact O-N 2.97Å; S53-L56 PolarHBondContact O-N 3.12Å |
| 57 | S | 67.4 | Low | 60.2 | Low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.4 | -14.1 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 113.4 | S53 S59 | S53-S57 WeakPolarHBondContact O-CB 3.41Å; S53-S57 PolarHBondContact O-N 3.03Å; S53-S57 PolarHBondContact O-OG 3.27Å; S57-S59 PolarHBondContact O-N 2.93Å |
| 58 | R | 71.2 | Confident | 59.3 | Low | 181 Ų | 181 | 105.2 Ų | 105.2 | 68% | 0.683 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -68.1 | 99.9 | 168.1 | -73.6 | 163.3 | -169.2 | -88.6 | -1.3 | 107.2 | D54 M60 | D54-R58 VanDerWaalsContact O-CG 3.31Å; D54-R58 WeakPolarHBondContact O-CG 3.4Å; D54-R58 PolarHBondContact O-N 3.28Å; R58-M60 PolarHBondContact O-N 2.84Å |
| 59 | S | 55.6 | Low | 58.7 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | | | trans | -49.4 | 129.5 | 171.9 | -170.2 | 0 | 0 | 0 | 0 | 109 | S57 V61 | S57-S59 PolarHBondContact O-N 2.93Å; S59-V61 PolarHBondContact O-N 3.05Å; S59-V61 WeakPolarHBondContact OG-CG2 3.37Å |
| 60 | M | 59.7 | Low | 58.3 | Low | 179 Ų | 179 | 107.9 Ų | 107.9 | 88% | 0.882 | 67% | 0.671 | S | S | * | * | | | trans | -73.8 | 34.8 | -174.8 | -26.9 | -166 | -150.5 | 0 | 0 | 112.2 | R58 G62 | R58-M60 PolarHBondContact O-N 2.84Å; M60-G62 PolarHBondContact O-N 3.22Å |
| 61 | V | 52.8 | Low | 57.9 | Low | 131 Ų | 131 | 112.7 Ų | 112.7 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 75.5 | 176.6 | -164.2 | 0 | 0 | 0 | 0 | 107.9 | S59 | S59-V61 PolarHBondContact O-N 3.05Å; S59-V61 WeakPolarHBondContact OG-CG2 3.37Å |
| 62 | G | 52.4 | Low | 57.1 | Low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.3 | -13.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | M60 | M60-G62 PolarHBondContact O-N 3.22Š|
| 63 | V | 48.7 | Very low | 56.3 | Low | 143 Ų | 143 | 116.8 Ų | 116.8 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -122.2 | 88 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 64 | G | 48.7 | Very low | 55.8 | Low | 77 Ų | 77 | 116.5 Ų | 116.5 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 126.2 | 1.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 65 | S | 40.4 | Very low | 55.1 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | trans | -89.3 | 115.8 | 169.6 | -159.6 | 0 | 0 | 0 | 0 | 110 | G67 | S65-G67 PolarHBondContact O-N 2.94Š|
| 66 | T | 50.8 | Low | 54.4 | Low | 147 Ų | 147 | 121.9 Ų | 121.9 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -57.1 | 96.5 | 168.1 | 41.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 67 | G | 49.7 | Very low | 53.6 | Low | 53 Ų | 53 | 121 Ų | 121 | 55% | 0.546 | 76% | 0.757 | S | S | . | * | S | Bend | trans | 150.2 | 107.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S65 | S65-G67 PolarHBondContact O-N 2.94Š|
| 68 | T | 43.1 | Very low | 52.9 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | 67.1 | 88.1 | 151.2 | 60.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 69 | T | 52 | Low | 52.1 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | | | | 29.8 | 106 | 86.5 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | P77 | T69-P77 HydrophobicContact CG2-CG 4.48Š|
| 70 | T | 52.6 | Low | 52 | Low | 127 Ų | 127 | 118.6 Ų | 118.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | 176.5 | 22.2 | 149.6 | 31.9 | 0 | 0 | 0 | 0 | 115.2 | L72 | T70-L72 PolarHBondContact O-N 3.11Š|
| 71 | L | 57.3 | Low | 51.6 | Low | 176 Ų | 176 | 120.1 Ų | 120.1 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -73.3 | -7 | 177.9 | -68.9 | -178 | 0 | 0 | 0 | 115.2 | | |
| 72 | L | 52.3 | Low | 51.8 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -135.2 | 105.3 | 164.4 | -82.1 | 91.8 | 0 | 0 | 0 | 109.8 | T70 G74 Y75 | T70-L72 PolarHBondContact O-N 3.11Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.1Å; L72-Y75 HydrophobicContact CB-CD2 3.95Å; L72-Y75 HydrophobicContact CD2-CD2 3.39Å; L72-Y75 HydrophobicContact CD2-CE2 3.55Å; L72-Y75 HydrophobicContact CD2-CG 4.47Å; L72-Y75 HydrophobicContact CG-CD2 4.32Å |
| 73 | S | 52.7 | Low | 51.7 | Low | 136 Ų | 136 | 119.1 Ų | 119.1 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 90.5 | 166.1 | -162.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 74 | G | 58.2 | Low | 52.1 | Low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.4 | -10.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L72 | L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.1Å |
| 75 | Y | 50.3 | Low | 52.2 | Low | 185 Ų | 185 | 120 Ų | 120 | 73% | 0.725 | 76% | 0.761 | S | S | * | * | | | trans | -116.6 | 118.3 | 176 | -68.4 | -88.2 | 0 | 0 | 0 | 110.5 | L72 | L72-Y75 HydrophobicContact CB-CD2 3.95Å; L72-Y75 HydrophobicContact CD2-CD2 3.39Å; L72-Y75 HydrophobicContact CD2-CE2 3.55Å; L72-Y75 HydrophobicContact CD2-CG 4.47Å; L72-Y75 HydrophobicContact CG-CD2 4.32Å |
| 76 | S | 53 | Low | 52.7 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -58.7 | 134.1 | 167.5 | -61 | 0 | 0 | 0 | 0 | 109 | M78 | S76-M78 VanDerWaalsContact C-N 3.27Å; S76-M78 PolarHBondContact O-N 3.09Å |
| 77 | P | 56.4 | Low | 52.4 | Low | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | -66.7 | 93.4 | 172.3 | 26.4 | -30.5 | 0 | 0 | 0 | 108 | T69 G79 | T69-P77 HydrophobicContact CG2-CG 4.48Å; P77-G79 PolarHBondContact O-N 3.31Å |
| 78 | M | 52.5 | Low | 52.2 | Low | 190 Ų | 190 | 121.4 Ų | 121.4 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | | | trans | -76.3 | 112.1 | 174.2 | -162.7 | 174.4 | 173.8 | 0 | 0 | 107.3 | S76 | S76-M78 VanDerWaalsContact C-N 3.27Å; S76-M78 PolarHBondContact O-N 3.09Å |
| 79 | G | 54.7 | Low | 52.4 | Low | 51 Ų | 51 | 119.8 Ų | 119.8 | 53% | 0.526 | 75% | 0.751 | S | S | . | * | | | trans | 89.8 | 77.9 | 166 | 0 | 0 | 0 | 0 | 0 | 114.6 | P77 F81 | P77-G79 PolarHBondContact O-N 3.31Å; G79-F81 PolarHBondContact O-N 3.35Å |
| 80 | G | 53.1 | Low | 52.3 | Low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -63.4 | 117 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G82 | G80-G82 PolarHBondContact O-N 3.26Å; G80-G82 VanDerWaalsContact O-N 3.07Å |
| 81 | F | 51.4 | Low | 52.4 | Low | 211 Ų | 211 | 126.9 Ų | 126.9 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | trans | -77.9 | 90.3 | 170.9 | -65.7 | -79.3 | 0 | 0 | 0 | 109 | G79 | G79-F81 PolarHBondContact O-N 3.35Š|
| 82 | G | 58.2 | Low | 52 | Low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | | | trans | -93.7 | 161.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G80 | G80-G82 PolarHBondContact O-N 3.26Å; G80-G82 VanDerWaalsContact O-N 3.07Å |
| 83 | P | 50.8 | Low | 51.5 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | cis | -119.8 | 163.6 | 25.4 | 33.6 | -17.4 | 0 | 0 | 0 | 114.5 | V85 | P83-V85 PolarHBondContact O-N 2.97Š|
| 84 | S | 56.3 | Low | 51.4 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | trans | -51.4 | 122.1 | 161.4 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | T86 | S84-T86 PolarHBondContact O-N 2.69Š|
| 85 | V | 50.2 | Low | 51.2 | Low | 142 Ų | 142 | 136.4 Ų | 136.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | -77.7 | 80.5 | 170.1 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | P83 | P83-V85 PolarHBondContact O-N 2.97Š|
| 86 | T | 50.9 | Low | 51.2 | Low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -83.4 | 115.5 | 154.1 | 36.8 | 0 | 0 | 0 | 0 | 107.6 | S84 | S84-T86 PolarHBondContact O-N 2.69Š|
| 87 | S | 44.2 | Very low | 50.9 | Low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | 151 | 106.4 | 139.9 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 88 | T | 46 | Very low | 50.8 | Low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 43.8 | 114.9 | 125.1 | -2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 89 | S | 47.3 | Very low | 51 | Low | 91 Ų | 91 | 135.8 Ų | 135.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | 52.5 | 108.6 | 138.3 | -179.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 90 | M | 51.2 | Low | 50.9 | Low | 189 Ų | 189 | 141 Ų | 141 | 93% | 0.931 | 77% | 0.771 | S | S | * | * | | | trans | -141.9 | 85.6 | 144.9 | -71.2 | -67.7 | -112.9 | 0 | 0 | 109.8 | | |
| 91 | Y | 53.3 | Low | 50.5 | Low | 192 Ų | 192 | 140.6 Ų | 140.6 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | -66.6 | 129.6 | 159.7 | -91.2 | -107 | 0 | 0 | 0 | 108.5 | | |
| 92 | Y | 50 | Low | 50 | Low | 212 Ų | 212 | 139.3 Ų | 139.3 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | trans | 74 | 119.7 | 174.3 | -46.8 | -77.4 | 0 | 0 | 0 | 117.5 | | |
| 93 | N | 41.5 | Very low | 49.8 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | | 168 | 102.5 | 121.1 | -142.2 | -17 | 0 | 0 | 0 | 108.5 | | |
| 94 | R | 50.1 | Low | 49.5 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | | 56.7 | 118.9 | 89.5 | -127.6 | -160.2 | -103.7 | 166.2 | -3.9 | 113.9 | | |
| 95 | D | 54.6 | Low | 49 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 69.4 | 78.9 | 153.9 | -40.2 | -43 | 0 | 0 | 0 | 118.7 | | |
| 96 | Y | 48.8 | Very low | 48.6 | Very low | 236 Ų | 236 | 143.6 Ų | 143.6 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | trans | -139.8 | 117.9 | 149 | -140.2 | -99.3 | 0 | 0 | 0 | 112 | | |
| 97 | N | 47.1 | Very low | 48.4 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | | | trans | -60 | 133 | -172.6 | -179.1 | -5 | 0 | 0 | 0 | 113.5 | S99 | N97-S99 PolarHBondContact O-N 2.99Š|
| 98 | P | 55.3 | Low | 48.7 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -81.5 | 88.3 | 177.1 | 34.1 | -31.5 | 0 | 0 | 0 | 110.2 | | |
| 99 | S | 56.2 | Low | 48.4 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -115.5 | 83.9 | 173.9 | 163.9 | 0 | 0 | 0 | 0 | 110.7 | N97 | N97-S99 PolarHBondContact O-N 2.99Š|
| 100 | L | 52.2 | Low | 48.3 | Very low | 160 Ų | 160 | 148 Ų | 148 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -132.8 | 73 | 151.3 | -71 | 177.7 | 0 | 0 | 0 | 108 | F102 | L100-F102 PolarHBondContact O-N 2.87Š|
| 101 | G | 45.2 | Very low | 48.1 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -63.8 | 114.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | S103 | G101-S103 PolarHBondContact O-N 3.03Š|
| 102 | F | 40.7 | Very low | 47.7 | Very low | 185 Ų | 185 | 148 Ų | 148 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -88.1 | 96.4 | 163.3 | -94.4 | -91.2 | 0 | 0 | 0 | 108.6 | L100 K104 | L100-F102 PolarHBondContact O-N 2.87Å; F102-K104 PolarHBondContact O-N 3.49Å |
| 103 | S | 53.7 | Low | 47.5 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -71.9 | 100.5 | 161.6 | -44.9 | 0 | 0 | 0 | 0 | 108 | G101 | G101-S103 PolarHBondContact O-N 3.03Š|
| 104 | K | 44.3 | Very low | 47.7 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -106.5 | 116.2 | 157.3 | -100 | 178.8 | 176.3 | 175.2 | 0 | 108.5 | F102 | F102-K104 PolarHBondContact O-N 3.49Š|
| 105 | S | 45.3 | Very low | 47.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -33.7 | 131.5 | 169.6 | 162.9 | 0 | 0 | 0 | 0 | 111.7 | A107 | S105-A107 PolarHBondContact O-N 3.35Å; S105-A107 VanDerWaalsContact O-N 3.12Å |
| 106 | A | 42.8 | Very low | 47.4 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | trans | -50.4 | 111.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | E108 | A106-E108 HydrophobicContact CB-CG 4.43Š|
| 107 | A | 47.3 | Very low | 47.5 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | -100.2 | 99.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | S105 C109 | S105-A107 PolarHBondContact O-N 3.35Å; S105-A107 VanDerWaalsContact O-N 3.12Å; A107-C109 VanDerWaalsContact C-N 3.32Å; A107-C109 PolarHBondContact O-N 3.33Å |
| 108 | E | 49.1 | Very low | 47.7 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -65.2 | 89.9 | 174.9 | -70.6 | 165.2 | 155.4 | 0 | 0 | 109.1 | A106 | A106-E108 HydrophobicContact CB-CG 4.43Š|
| 109 | C | 40.4 | Very low | 47.6 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -103.8 | 125.3 | 158 | -72.5 | 0 | 0 | 0 | 0 | 107 | A107 M111 | A107-C109 VanDerWaalsContact C-N 3.32Å; A107-C109 PolarHBondContact O-N 3.33Å; C109-M111 PolarHBondContact O-N 3.29Å |
| 110 | P | 44.8 | Very low | 47.6 | Very low | 135 Ų | 135 | 134 Ų | 134 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | trans | -64.5 | 114.4 | -168.3 | 24 | -32 | 0 | 0 | 0 | 110.7 | K112 | P110-K112 PolarHBondContact O-N 3.21Å; P110-K112 VanDerWaalsContact O-N 3.09Å |
| 111 | M | 47 | Very low | 47.2 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | | | trans | -64.6 | 102.6 | 170.4 | -170.6 | 69 | 149.5 | 0 | 0 | 108.8 | C109 G113 | C109-M111 PolarHBondContact O-N 3.29Å; M111-G113 VanDerWaalsContact C-N 3.31Å |
| 112 | K | 45.6 | Very low | 47.6 | Very low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -100.2 | 69.9 | 146.3 | -157.9 | 169.2 | -178.3 | -178.7 | 0 | 108.2 | P110 R114 | P110-K112 PolarHBondContact O-N 3.21Å; P110-K112 VanDerWaalsContact O-N 3.09Å; K112-R114 PolarHBondContact O-N 2.98Å |
| 113 | G | 45 | Very low | 48.3 | Very low | 36 Ų | 36 | 131.5 Ų | 131.5 | 37% | 0.371 | 74% | 0.743 | S | S | . | * | | | trans | -59.2 | 125.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | M111 | M111-G113 VanDerWaalsContact C-N 3.31Š|
| 114 | R | 46.4 | Very low | 48.1 | Very low | 234 Ų | 234 | 131.1 Ų | 131.1 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | | | trans | 173.6 | 111.2 | 132.7 | -90.3 | 161.7 | -151.9 | -126.9 | 7.7 | 106.7 | K112 M116 | K112-R114 PolarHBondContact O-N 2.98Å; R114-M116 PolarHBondContact O-N 3.03Å |
| 115 | S | 50.8 | Low | 48.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | trans | 25.7 | 90.7 | 132 | -178.2 | 0 | 0 | 0 | 0 | 114.5 | S117 | S115-S117 PolarHBondContact O-N 3.08Š|
| 116 | M | 47.4 | Very low | 48.7 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | -77.3 | 83.1 | 159.1 | -88.9 | -66.6 | -168.1 | 0 | 0 | 107.3 | R114 A120 E121 | R114-M116 PolarHBondContact O-N 3.03Å; M116-A120 WeakPolarHBondContact CE-O 3.34Å; M116-A120 HydrophobicContact SD-CB 4.02Å; M116-E121 HydrophobicContact CE-CB 4.42Å |
| 117 | S | 50.5 | Low | 49 | Very low | 66 Ų | 66 | 141.7 Ų | 141.7 | 46% | 0.462 | 76% | 0.762 | S | S | . | * | | | trans | -42 | 139.1 | 151 | 36.5 | 0 | 0 | 0 | 0 | 108.9 | S115 W119 | S115-S117 PolarHBondContact O-N 3.08Å; S117-W119 PolarHBondContact O-N 3.05Å |
| 118 | C | 52.7 | Low | 49.1 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -62.9 | 25.7 | -179.6 | -51.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 119 | W | 53.3 | Low | 49.1 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 91% | 0.905 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -151.7 | 53 | -173.3 | -64.3 | 102.3 | 0 | 0 | 0 | 110.7 | S117 | S117-W119 PolarHBondContact O-N 3.05Š|
| 120 | A | 54.1 | Low | 49.6 | Very low | 46 Ų | 46 | 144.1 Ų | 144.1 | 38% | 0.38 | 76% | 0.759 | S | S | . | * | | | trans | -159.7 | 103.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M116 | M116-A120 WeakPolarHBondContact CE-O 3.34Å; M116-A120 HydrophobicContact SD-CB 4.02Å |
| 121 | E | 45.5 | Very low | 49.9 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | | 163.4 | 92.9 | 117.9 | -146.9 | 77.1 | 179.7 | 0 | 0 | 107.6 | M116 S123 | M116-E121 HydrophobicContact CE-CB 4.42Å; E121-S123 PolarHBondContact O-N 3.24Å |
| 122 | S | 52.7 | Low | 50.1 | Low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | trans | -81.5 | 96.2 | 158.1 | 64 | 0 | 0 | 0 | 0 | 107 | | |
| 123 | S | 54.9 | Low | 50.4 | Low | 91 Ų | 91 | 138.1 Ų | 138.1 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | -154 | 83.1 | 166.6 | -80.4 | 0 | 0 | 0 | 0 | 108.8 | E121 | E121-S123 PolarHBondContact O-N 3.24Š|
| 124 | C | 49.2 | Very low | 50.8 | Low | 113 Ų | 113 | 145.9 Ų | 145.9 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -135.5 | 102.2 | 151.7 | -77.2 | 0 | 0 | 0 | 0 | 105.8 | W126 | C124-W126 PolarHBondContact O-N 3.32Š|
| 125 | D | 50.5 | Low | 51.2 | Low | 171 Ų | 171 | 138.6 Ų | 138.6 | 91% | 0.914 | 75% | 0.75 | S | S | * | * | | | trans | -59.5 | 117.4 | 159.1 | -81.1 | -78.5 | 0 | 0 | 0 | 108.9 | | |
| 126 | W | 53 | Low | 51.3 | Low | 297 Ų | 297 | 141.5 Ų | 141.5 | 100% | 1.125 | 75% | 0.751 | S | S | * | * | | | trans | -157 | 0 | 148.4 | 57.6 | -96.7 | 0 | 0 | 0 | 109.5 | C124 | C124-W126 PolarHBondContact O-N 3.32Š|