| 1 | M | 46.6 | Very low | 56.6 | Low | 253 Ų | 253 | 172.7 Ų | 172.7 | 100% | 1.246 | 90% | 0.895 | S | S | * | * | | | | 0 | 122.4 | 0 | -59.8 | -172.3 | -152.8 | 0 | 0 | 106.5 | | |
| 2 | A | 47.2 | Very low | 56.8 | Low | 105 Ų | 105 | 173.8 Ų | 173.8 | 87% | 0.868 | 89% | 0.893 | S | S | * | * | | | cis | -135.5 | 137.4 | 7.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 3 | A | 53.1 | Low | 56.6 | Low | 102 Ų | 102 | 175.5 Ų | 175.5 | 84% | 0.843 | 89% | 0.894 | S | S | * | * | | | trans | -82.1 | 157.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 4 | A | 59.7 | Low | 56.7 | Low | 98 Ų | 98 | 170.4 Ų | 170.4 | 81% | 0.81 | 89% | 0.892 | S | S | * | * | | | trans | -36.9 | 138 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 5 | K | 60.8 | Low | 56.8 | Low | 200 Ų | 200 | 165.1 Ų | 165.1 | 87% | 0.87 | 88% | 0.875 | S | S | * | * | | | trans | -163.8 | 99.9 | 152.8 | -110 | 175.1 | -178.7 | -177.3 | 0 | 108.8 | | |
| 6 | K | 61.7 | Low | 56.5 | Low | 216 Ų | 216 | 167.8 Ų | 167.8 | 94% | 0.939 | 88% | 0.876 | S | S | * | * | | | trans | -142.1 | 82.7 | 161.2 | -152.1 | -177.7 | -176 | -171.3 | 0 | 106.4 | | |
| 7 | E | 60.1 | Low | 56.6 | Low | 168 Ų | 168 | 167.7 Ų | 167.7 | 79% | 0.785 | 88% | 0.876 | S | S | * | * | | | trans | -107.7 | 152.3 | 170.5 | -70.8 | -176.7 | 160.7 | 0 | 0 | 108.2 | | |
| 8 | K | 56.6 | Low | 56.4 | Low | 184 Ų | 184 | 168.4 Ų | 168.4 | 80% | 0.8 | 87% | 0.874 | S | S | * | * | | | trans | 77.2 | 89.7 | 157.2 | -80.6 | -178.4 | 161.4 | -176.8 | 0 | 119 | | |
| 9 | E | 59.7 | Low | 56.7 | Low | 193 Ų | 193 | 168.4 Ų | 168.4 | 90% | 0.902 | 88% | 0.875 | S | S | * | * | | | trans | -145.4 | 88.5 | 146.1 | -78 | -177.2 | 161.9 | 0 | 0 | 107.7 | | |
| 10 | E | 59 | Low | 57 | Low | 201 Ų | 201 | 169.1 Ų | 169.1 | 94% | 0.939 | 87% | 0.871 | S | S | * | * | S | Bend | trans | -172.2 | 24.9 | 157.5 | -124.6 | -179 | 167.8 | 0 | 0 | 116 | | |
| 11 | E | 58.6 | Low | 57.1 | Low | 180 Ų | 180 | 167.5 Ų | 167.5 | 84% | 0.841 | 87% | 0.871 | S | S | * | * | | | trans | -119.9 | 32.9 | 179.8 | -150.9 | -176.8 | 174.4 | 0 | 0 | 113.1 | | |
| 12 | E | 58.7 | Low | 57.5 | Low | 186 Ų | 186 | 159.7 Ų | 159.7 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | | | trans | -110.5 | 51.1 | -173.9 | -159.4 | -170.5 | 154 | 0 | 0 | 113.7 | | |
| 13 | E | 53.5 | Low | 57.9 | Low | 196 Ų | 196 | 156.6 Ų | 156.6 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -144.6 | 14.8 | 169.7 | -143.8 | -161.3 | 140.1 | 0 | 0 | 116 | | |
| 14 | A | 58.5 | Low | 58.1 | Low | 104 Ų | 104 | 156.2 Ų | 156.2 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -110.8 | -2.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 15 | S | 59 | Low | 58.3 | Low | 91 Ų | 91 | 160.3 Ų | 160.3 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | | | trans | -106.9 | 6.8 | -164.3 | 58.2 | 0 | 0 | 0 | 0 | 116.8 | L17 | S15-L17 PolarHBondContact O-N 3.05Š|
| 16 | K | 51.3 | Low | 58.5 | Low | 207 Ų | 207 | 155.7 Ų | 155.7 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 9 | -166.4 | -147.7 | -178.3 | 173.4 | -169.6 | 0 | 118 | | |
| 17 | L | 57.5 | Low | 58.5 | Low | 167 Ų | 167 | 151.6 Ų | 151.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 12.9 | -178.3 | -65.6 | 178.9 | 0 | 0 | 0 | 116.2 | S15 L19 | S15-L17 PolarHBondContact O-N 3.05Å; L17-L19 PolarHBondContact O-N 2.91Å |
| 18 | Q | 53.1 | Low | 58.5 | Low | 180 Ų | 180 | 147.3 Ų | 147.3 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -82 | 87.1 | 176.2 | -63.4 | -167.4 | 35.3 | 0 | 0 | 111.6 | K20 | Q18-K20 PolarHBondContact O-N 3.38Š|
| 19 | L | 62.1 | Low | 58.8 | Low | 168 Ų | 168 | 147.3 Ų | 147.3 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | trans | -65.4 | 98.4 | 164.3 | -91.9 | 147.2 | 0 | 0 | 0 | 109.5 | L17 P21 | L17-L19 PolarHBondContact O-N 2.91Å; L19-P21 VanDerWaalsContact O-CD 3.31Å; L19-P21 WeakPolarHBondContact O-CD 3.31Å |
| 20 | K | 62.6 | Low | 59 | Low | 183 Ų | 183 | 144.6 Ų | 144.6 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | -65.8 | 117.3 | 175 | -173.3 | 160.5 | 178.3 | 158.5 | 0 | 110.4 | Q18 A22 | Q18-K20 PolarHBondContact O-N 3.38Å; K20-A22 VanDerWaalsContact C-N 3.28Å; K20-A22 HydrophobicContact CG-CB 4.44Å; K20-A22 PolarHBondContact O-N 3.04Å |
| 21 | P | 59.6 | Low | 59.2 | Low | 135 Ų | 135 | 141.7 Ų | 141.7 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | trans | -78.6 | 77.4 | 176.3 | -6.5 | 24.2 | 0 | 0 | 0 | 110.1 | L19 | L19-P21 VanDerWaalsContact O-CD 3.31Å; L19-P21 WeakPolarHBondContact O-CD 3.31Å |
| 22 | A | 54.5 | Low | 59.2 | Low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | | | trans | -106.9 | 88.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | K20 | K20-A22 VanDerWaalsContact C-N 3.28Å; K20-A22 HydrophobicContact CG-CB 4.44Å; K20-A22 PolarHBondContact O-N 3.04Å |
| 23 | G | 55.8 | Low | 59.3 | Low | 40 Ų | 40 | 139.8 Ų | 139.8 | 41% | 0.412 | 75% | 0.748 | S | S | . | * | | | trans | 176.6 | 53.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F27 | G23-F27 WeakPolarHBondContact O-CD2 3.39Š|
| 24 | S | 58.2 | Low | 59.6 | Low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 146.2 | 179.3 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 25 | K | 63.5 | Low | 59.4 | Low | 183 Ų | 183 | 138.7 Ų | 138.7 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.6 | -29.4 | 162.8 | -54.4 | 169.1 | -172.9 | 174.2 | 0 | 117.9 | | |
| 26 | V | 64.8 | Low | 59.1 | Low | 103 Ų | 103 | 137.5 Ų | 137.5 | 62% | 0.624 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -33.7 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 27 | F | 62.3 | Low | 59.4 | Low | 130 Ų | 130 | 133 Ų | 133 | 57% | 0.57 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -80.3 | -21.2 | -179.3 | -62.1 | -78.4 | 0 | 0 | 0 | 113.5 | G23 K29 L30 L31 | G23-F27 WeakPolarHBondContact O-CD2 3.39Å; F27-K29 PolarHBondContact O-N 3.19Å; F27-L30 PolarHBondContact O-N 3.28Å; F27-L31 WeakPolarHBondContact O-CG 3.49Å; F27-L31 PolarHBondContact O-N 3.28Å |
| 28 | S | 60.8 | Low | 59.6 | Low | 79 Ų | 79 | 129.7 Ų | 129.7 | 55% | 0.552 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -63.3 | -31.1 | 178.3 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | S32 | S28-S32 WeakPolarHBondContact O-CB 3.08Å; S28-S32 PolarHBondContact O-N 3.22Å |
| 29 | K | 62.6 | Low | 59.8 | Low | 183 Ų | 183 | 124 Ų | 124 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -79.6 | -25.1 | -178.7 | -156.8 | 159.1 | 178.1 | 160.8 | 0 | 113.1 | F27 | F27-K29 PolarHBondContact O-N 3.19Å |
| 30 | L | 63.8 | Low | 59.6 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -79.2 | -30.8 | 174 | -67.1 | 175.9 | 0 | 0 | 0 | 112.2 | F27 | F27-L30 PolarHBondContact O-N 3.28Å |
| 31 | L | 62.2 | Low | 59.7 | Low | 140 Ų | 140 | 116.3 Ų | 116.3 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -90.1 | -20.7 | 177.9 | -58.4 | -179.4 | 0 | 0 | 0 | 113.5 | F27 R33 | F27-L31 WeakPolarHBondContact O-CG 3.49Å; F27-L31 PolarHBondContact O-N 3.28Å; L31-R33 PolarHBondContact O-N 2.97Å |
| 32 | S | 58.9 | Low | 59.7 | Low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 6.5 | -179.1 | -168.4 | 0 | 0 | 0 | 0 | 114.6 | S28 | S28-S32 WeakPolarHBondContact O-CB 3.08Å; S28-S32 PolarHBondContact O-N 3.22Å |
| 33 | R | 61.2 | Low | 60.1 | Low | 232 Ų | 232 | 123.9 Ų | 123.9 | 88% | 0.875 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 1.6 | -176.8 | -169.7 | 63.3 | 171 | 167.6 | 1 | 114 | L31 | L31-R33 PolarHBondContact O-N 2.97Š|
| 34 | E | 58.4 | Low | 60.5 | Low | 162 Ų | 162 | 126.8 Ų | 126.8 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | | | trans | -110.3 | -0.5 | 178.9 | 89.9 | 151.9 | -151 | 0 | 0 | 117.3 | A36 | E34-A36 PolarHBondContact O-N 2.99Š|
| 35 | S | 55.5 | Low | 60.5 | Low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | | | trans | -84.5 | 54.6 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 36 | A | 51.6 | Low | 60.3 | Low | 67 Ų | 67 | 131.7 Ų | 131.7 | 55% | 0.554 | 71% | 0.706 | S | S | * | * | | | trans | -102.6 | 74.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | E34 A38 | E34-A36 PolarHBondContact O-N 2.99Å; A36-A38 PolarHBondContact O-N 3.34Å |
| 37 | A | 58.6 | Low | 60.2 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 92% | 0.917 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 3.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 38 | A | 61.3 | Low | 60 | Low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -1.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A36 | A36-A38 PolarHBondContact O-N 3.34Š|
| 39 | A | 57.7 | Low | 59.8 | Low | 61 Ų | 61 | 129 Ų | 129 | 50% | 0.504 | 72% | 0.715 | S | S | . | * | | | trans | -158.9 | 90.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S41 | A39-S41 PolarHBondContact O-N 3.23Š|
| 40 | P | 58 | Low | 59.6 | Low | 95 Ų | 95 | 125.9 Ų | 125.9 | 62% | 0.617 | 72% | 0.716 | S | S | * | * | | | trans | -79.9 | 58.9 | 177 | 34.1 | -34 | 0 | 0 | 0 | 111.1 | F42 R43 | P40-F42 PolarHBondContact O-N 3.02Å; P40-R43 HydrophobicContact CB-CB 3.88Å; P40-R43 HydrophobicContact CB-CG 4.12Å; P40-R43 PolarHBondContact O-N 2.87Å |
| 41 | S | 64.1 | Low | 59.3 | Low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 0.8 | -177 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | A39 | A39-S41 PolarHBondContact O-N 3.23Š|
| 42 | F | 60.7 | Low | 59.1 | Low | 200 Ų | 200 | 120.5 Ų | 120.5 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 12.6 | 170.6 | -63.9 | -84.3 | 0 | 0 | 0 | 113.4 | P40 V44 | P40-F42 PolarHBondContact O-N 3.02Å; F42-V44 PolarHBondContact O-N 3.1Å |
| 43 | R | 62.9 | Low | 59.2 | Low | 184 Ų | 184 | 120.9 Ų | 120.9 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | | | trans | -99.4 | 59.2 | 178.4 | -59.3 | 179 | 158.3 | -145.3 | -3.3 | 110.5 | P40 Y45 | P40-R43 HydrophobicContact CB-CB 3.88Å; P40-R43 HydrophobicContact CB-CG 4.12Å; P40-R43 PolarHBondContact O-N 2.87Å; R43-Y45 PolarHBondContact O-N 3.16Å; R43-Y45 VanDerWaalsContact O-N 3.16Å |
| 44 | V | 63.3 | Low | 59.7 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 61% | 0.606 | 70% | 0.703 | S | S | * | * | | | trans | -82.1 | 83.4 | 152.6 | -166.8 | 0 | 0 | 0 | 0 | 106 | F42 Y46 | F42-V44 PolarHBondContact O-N 3.1Å; V44-Y46 HydrophobicContact CB-CD2 4.16Å; V44-Y46 HydrophobicContact CB-CE2 3.83Å; V44-Y46 HydrophobicContact CG1-CD1 4.33Å; V44-Y46 HydrophobicContact CG1-CD2 3.59Å; V44-Y46 HydrophobicContact CG1-CE1 3.95Å; V44-Y46 HydrophobicContact CG1-CE2 3.15Å; V44-Y46 HydrophobicContact CG1-CG 4.17Å; V44-Y46 PolarHBondContact O-N 2.99Å |
| 45 | Y | 57.7 | Low | 60.4 | Low | 184 Ų | 184 | 112.1 Ų | 112.1 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | trans | -72.8 | 83.1 | 176.5 | -160.3 | -91.4 | 0 | 0 | 0 | 107.9 | R43 G47 V48 | R43-Y45 PolarHBondContact O-N 3.16Å; R43-Y45 VanDerWaalsContact O-N 3.16Å; Y45-G47 PolarHBondContact O-N 2.74Å; Y45-V48 HydrophobicContact CD1-CG2 3.67Å; Y45-V48 HydrophobicContact CE1-CG2 3.76Å |
| 46 | Y | 59.9 | Low | 61.4 | Low | 197 Ų | 197 | 113.4 Ų | 113.4 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 24.1 | 166 | -68.4 | -74.5 | 0 | 0 | 0 | 112.1 | V44 | V44-Y46 HydrophobicContact CB-CD2 4.16Å; V44-Y46 HydrophobicContact CB-CE2 3.83Å; V44-Y46 HydrophobicContact CG1-CD1 4.33Å; V44-Y46 HydrophobicContact CG1-CD2 3.59Å; V44-Y46 HydrophobicContact CG1-CE1 3.95Å; V44-Y46 HydrophobicContact CG1-CE2 3.15Å; V44-Y46 HydrophobicContact CG1-CG 4.17Å; V44-Y46 PolarHBondContact O-N 2.99Å |
| 47 | G | 62.7 | Low | 62.5 | Low | 53 Ų | 53 | 117.3 Ų | 117.3 | 55% | 0.546 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | 5.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y45 | Y45-G47 PolarHBondContact O-N 2.74Š|
| 48 | V | 57.7 | Low | 63.7 | Low | 125 Ų | 125 | 120.6 Ų | 120.6 | 76% | 0.758 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -123.7 | -2.6 | 178.6 | -151.9 | 0 | 0 | 0 | 0 | 113.5 | Y45 S50 | Y45-V48 HydrophobicContact CD1-CG2 3.67Å; Y45-V48 HydrophobicContact CE1-CG2 3.76Å; V48-S50 PolarHBondContact O-N 3.03Å |
| 49 | A | 55.8 | Low | 64.6 | Low | 78 Ų | 78 | 119.8 Ų | 119.8 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -92.8 | 90 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | A51 | A49-A51 PolarHBondContact O-N 3.38Š|
| 50 | S | 58.6 | Low | 65.4 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 35.7 | 80.2 | 160 | -168.8 | 0 | 0 | 0 | 0 | 114.7 | V48 | V48-S50 PolarHBondContact O-N 3.03Š|
| 51 | A | 58.3 | Low | 66.3 | Low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | | | trans | 37.2 | 91.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A49 S53 | A49-A51 PolarHBondContact O-N 3.38Å; A51-S53 PolarHBondContact O-N 3.23Å |
| 52 | G | 58.1 | Low | 66.9 | Low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 69% | 0.686 | S | S | * | * | | | trans | -47.2 | 89.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V54 | G52-V54 PolarHBondContact O-N 2.91Š|
| 53 | S | 61.6 | Low | 67.7 | Low | 104 Ų | 104 | 117.7 Ų | 117.7 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | | | trans | -80.5 | 109.7 | -176.4 | 65.6 | 0 | 0 | 0 | 0 | 104.1 | A51 P55 | A51-S53 PolarHBondContact O-N 3.23Å; S53-P55 WeakPolarHBondContact O-CD 3.47Å; S53-P55 VanDerWaalsContact O-N 3.15Å |
| 54 | V | 70.2 | Confident | 68.2 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | | | trans | -52.3 | 123.5 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 105.3 | G52 F56 | G52-V54 PolarHBondContact O-N 2.91Å; V54-F56 HydrophobicContact CG1-CD1 3.79Å; V54-F56 HydrophobicContact CG1-CD2 3.7Å; V54-F56 HydrophobicContact CG1-CE1 3.53Å; V54-F56 HydrophobicContact CG1-CE2 3.44Å; V54-F56 VanDerWaalsContact CG1-CE2 3.44Å; V54-F56 HydrophobicContact CG1-CG 3.88Å; V54-F56 HydrophobicContact CG1-CZ 3.34Å; V54-F56 WeakPolarHBondContact CG1-O 3.42Å; V54-F56 PolarHBondContact O-N 3.19Å; V54-F56 VanDerWaalsContact O-O 3.09Å |
| 55 | P | 74.4 | Confident | 68.4 | Low | 129 Ų | 129 | 113 Ų | 113 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -65.9 | 7.2 | -172.4 | 23.6 | -32.6 | 0 | 0 | 0 | 113.9 | S53 | S53-P55 WeakPolarHBondContact O-CD 3.47Å; S53-P55 VanDerWaalsContact O-N 3.15Å |
| 56 | F | 75.7 | Confident | 68.9 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 62% | 0.618 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -137.8 | 148.8 | 171.4 | 51.2 | -89.5 | 0 | 0 | 0 | 108.8 | V54 W58 | V54-F56 HydrophobicContact CG1-CD1 3.79Å; V54-F56 HydrophobicContact CG1-CD2 3.7Å; V54-F56 HydrophobicContact CG1-CE1 3.53Å; V54-F56 HydrophobicContact CG1-CE2 3.44Å; V54-F56 VanDerWaalsContact CG1-CE2 3.44Å; V54-F56 HydrophobicContact CG1-CG 3.88Å; V54-F56 HydrophobicContact CG1-CZ 3.34Å; V54-F56 WeakPolarHBondContact CG1-O 3.42Å; V54-F56 PolarHBondContact O-N 3.19Å; V54-F56 VanDerWaalsContact O-O 3.09Å; F56-W58 PolarHBondContact O-N 2.61Å |
| 57 | L | 76.1 | Confident | 69.3 | Low | 149 Ų | 149 | 107.8 Ų | 107.8 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | | | trans | -62.9 | 105.3 | 172 | -173.9 | 68.3 | 0 | 0 | 0 | 108.2 | E59 | L57-E59 PolarHBondContact O-N 3.36Š|
| 58 | W | 82.3 | Confident | 69.5 | Low | 180 Ų | 180 | 109.9 Ų | 109.9 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | | | trans | -61.8 | 119 | 163.4 | 144.1 | -86 | 0 | 0 | 0 | 107.1 | F56 S60 | F56-W58 PolarHBondContact O-N 2.61Å; W58-S60 PolarHBondContact O-N 3.37Å |
| 59 | E | 80.3 | Confident | 69.7 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 38% | 0.379 | 69% | 0.688 | S | S | . | * | | | trans | -71.4 | 121.1 | 172 | -179.9 | 161.1 | -143.8 | 0 | 0 | 108.4 | L57 Q61 K66 | L57-E59 PolarHBondContact O-N 3.36Å; E59-Q61 PolarHBondContact O-N 2.94Å; E59-Q61 VanDerWaalsContact O-N 3.16Å; E59-K66 WeakPolarHBondContact OE1-CD 3.43Å; E59-K66 IonicContact OE1-NZ 3.83Å |
| 60 | S | 76 | Confident | 69.9 | Low | 97 Ų | 97 | 113.6 Ų | 113.6 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -70 | -6.1 | -178 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | W58 | W58-S60 PolarHBondContact O-N 3.37Š|
| 61 | Q | 75.4 | Confident | 70 | Confident | 118 Ų | 118 | 115.6 Ų | 115.6 | 55% | 0.551 | 69% | 0.691 | S | S | * | * | | | trans | -140 | 87.4 | -179.9 | -66.8 | -155.2 | -4.8 | 0 | 0 | 111.5 | E59 G63 T64 | E59-Q61 PolarHBondContact O-N 2.94Å; E59-Q61 VanDerWaalsContact O-N 3.16Å; Q61-G63 PolarHBondContact O-N 3.44Å; Q61-T64 PolarHBondContact OE1-OG1 3.22Å |
| 62 | P | 76.9 | Confident | 70.2 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 122.8 | 166.8 | 26.8 | -32.9 | 0 | 0 | 0 | 109 | | |
| 63 | G | 78.5 | Confident | 70.5 | Confident | 78 Ų | 78 | 117 Ų | 117 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.7 | -3.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q61 P65 | Q61-G63 PolarHBondContact O-N 3.44Å; G63-P65 WeakPolarHBondContact O-CD 3.42Å |
| 64 | T | 72.4 | Confident | 70.7 | Confident | 74 Ų | 74 | 119.1 Ų | 119.1 | 45% | 0.454 | 69% | 0.685 | S | S | . | * | | | trans | -92.4 | 116.3 | 172.9 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | Q61 K66 | Q61-T64 PolarHBondContact OE1-OG1 3.22Å; T64-K66 PolarHBondContact O-N 3.39Å |
| 65 | P | 68.9 | Low | 70.6 | Confident | 113 Ų | 113 | 119.9 Ų | 119.9 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | | | trans | -62.4 | 103.2 | 173.3 | 24.2 | -30.7 | 0 | 0 | 0 | 108.9 | G63 N67 | G63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-N67 PolarHBondContact O-N 3.1Å; P65-N67 VanDerWaalsContact O-N 3.1Å |
| 66 | K | 67.3 | Low | 70.2 | Confident | 138 Ų | 138 | 118.9 Ų | 118.9 | 60% | 0.6 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -67.2 | -10.4 | -174.2 | -163 | 160.9 | -178.7 | 157.9 | 0 | 114.1 | E59 T64 | E59-K66 WeakPolarHBondContact OE1-CD 3.43Å; E59-K66 IonicContact OE1-NZ 3.83Å; T64-K66 PolarHBondContact O-N 3.39Å |
| 67 | N | 68.9 | Low | 69.6 | Low | 132 Ų | 132 | 120.2 Ų | 120.2 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -115.9 | 111 | 174.3 | -59.7 | -37.9 | 0 | 0 | 0 | 107.8 | P65 M69 | P65-N67 PolarHBondContact O-N 3.1Å; P65-N67 VanDerWaalsContact O-N 3.1Å; N67-M69 PolarHBondContact O-N 2.67Å |
| 68 | A | 65.8 | Low | 69 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | | | trans | -53.5 | 116.1 | 155 | 0 | 0 | 0 | 0 | 0 | 105.3 | S70 | A68-S70 PolarHBondContact O-N 2.74Š|
| 69 | M | 61.8 | Low | 68.3 | Low | 182 Ų | 182 | 115.4 Ų | 115.4 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | | | trans | -58.9 | 98.1 | 176 | -57.2 | -176.2 | 82.2 | 0 | 0 | 105.4 | N67 D71 | N67-M69 PolarHBondContact O-N 2.67Å; M69-D71 PolarHBondContact O-N 2.97Å |
| 70 | S | 61.2 | Low | 67.7 | Low | 98 Ų | 98 | 116.6 Ų | 116.6 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | | | trans | -59.8 | 113.4 | 167.6 | 48.2 | 0 | 0 | 0 | 0 | 104.1 | A68 A72 | A68-S70 PolarHBondContact O-N 2.74Å; S70-A72 PolarHBondContact O-N 2.89Å |
| 71 | D | 61.1 | Low | 67.5 | Low | 159 Ų | 159 | 118 Ų | 118 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | | | trans | -67.1 | 34.8 | 171.5 | -150.8 | 8.6 | 0 | 0 | 0 | 110.6 | M69 V73 | M69-D71 PolarHBondContact O-N 2.97Å; D71-V73 VanDerWaalsContact C-N 3.32Å; D71-V73 PolarHBondContact O-N 2.79Å; D71-V73 VanDerWaalsContact O-N 3.1Å |
| 72 | A | 62.1 | Low | 67.1 | Low | 66 Ų | 66 | 116 Ų | 116 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | | | trans | -71 | 99.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | S70 L74 | S70-A72 PolarHBondContact O-N 2.89Å; A72-L74 PolarHBondContact O-N 3.16Å |
| 73 | V | 63 | Low | 66 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | trans | -44.9 | 87.5 | 165.2 | -179 | 0 | 0 | 0 | 0 | 107.9 | D71 | D71-V73 VanDerWaalsContact C-N 3.32Å; D71-V73 PolarHBondContact O-N 2.79Å; D71-V73 VanDerWaalsContact O-N 3.1Å |
| 74 | L | 65.7 | Low | 65.2 | Low | 147 Ų | 147 | 127 Ų | 127 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 124.1 | 169.2 | -72.1 | 178 | 0 | 0 | 0 | 104.2 | A72 | A72-L74 PolarHBondContact O-N 3.16Š|
| 75 | P | 69.3 | Low | 64.6 | Low | 96 Ų | 96 | 129.8 Ų | 129.8 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54 | 138.6 | 178.6 | 24.3 | -33 | 0 | 0 | 0 | 106.9 | L77 | P75-L77 PolarHBondContact O-N 2.96Š|
| 76 | P | 66.5 | Low | 64.3 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 121.4 | 177.1 | 21 | -32.4 | 0 | 0 | 0 | 107.3 | T78 | P76-T78 VanDerWaalsContact C-N 3.32Å; P76-T78 PolarHBondContact O-N 3.17Å |
| 77 | L | 62.5 | Low | 63.8 | Low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -56.5 | 105.9 | 177.5 | -68.1 | 175.1 | 0 | 0 | 0 | 105.8 | P75 | P75-L77 PolarHBondContact O-N 2.96Š|
| 78 | T | 63.3 | Low | 63.2 | Low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -2.4 | 113.6 | -171.5 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | P76 | P76-T78 VanDerWaalsContact C-N 3.32Å; P76-T78 PolarHBondContact O-N 3.17Å |
| 79 | P | 66.8 | Low | 62.7 | Low | 102 Ų | 102 | 130 Ų | 130 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56 | 146.6 | 176.4 | 25.4 | -33.6 | 0 | 0 | 0 | 109.9 | | |
| 80 | P | 69 | Low | 62.2 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54 | 140.5 | -178.6 | 20.8 | -31.7 | 0 | 0 | 0 | 110.7 | S82 | P80-S82 PolarHBondContact O-N 3.1Å; P80-S82 VanDerWaalsContact O-N 3.15Å |
| 81 | P | 71.1 | Confident | 61.6 | Low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 122.9 | 179.5 | -28.8 | 34.2 | 0 | 0 | 0 | 111.9 | Y83 | P81-Y83 PolarHBondContact O-N 3.17Š|
| 82 | S | 66.7 | Low | 60.9 | Low | 77 Ų | 77 | 123 Ų | 123 | 54% | 0.538 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 129 | -175.1 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | P80 Y84 | P80-S82 PolarHBondContact O-N 3.1Å; P80-S82 VanDerWaalsContact O-N 3.15Å; S82-Y84 VanDerWaalsContact C-N 3.29Å; S82-Y84 PolarHBondContact O-N 2.79Å; S82-Y84 WeakPolarHBondContact OG-CD2 3.33Å; S82-Y84 WeakPolarHBondContact OG-CE2 3.02Å |
| 83 | Y | 55.1 | Low | 60.1 | Low | 217 Ų | 217 | 124.1 Ų | 124.1 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 79.6 | 166.7 | -64.6 | -93.7 | 0 | 0 | 0 | 111.3 | P81 T85 | P81-Y83 PolarHBondContact O-N 3.17Å; Y83-T85 PolarHBondContact O-N 3.49Å |
| 84 | Y | 60.1 | Low | 59.2 | Low | 205 Ų | 205 | 121.9 Ų | 121.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -86.6 | 92.7 | 163.8 | -73.3 | -68.9 | 0 | 0 | 0 | 109.6 | S82 A86 | S82-Y84 VanDerWaalsContact C-N 3.29Å; S82-Y84 PolarHBondContact O-N 2.79Å; S82-Y84 WeakPolarHBondContact OG-CD2 3.33Å; S82-Y84 WeakPolarHBondContact OG-CE2 3.02Å; Y84-A86 PolarHBondContact O-N 3.47Å; Y84-A86 VanDerWaalsContact O-N 3.15Å |
| 85 | T | 61.6 | Low | 58.2 | Low | 134 Ų | 134 | 119 Ų | 119 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -69.8 | 94 | 161.5 | 51.2 | 0 | 0 | 0 | 0 | 109 | Y83 G87 | Y83-T85 PolarHBondContact O-N 3.49Å; T85-G87 VanDerWaalsContact C-N 3.35Å; T85-G87 PolarHBondContact O-N 3.15Å |
| 86 | A | 61.4 | Low | 56.9 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | | | trans | -94.2 | 71.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y84 | Y84-A86 PolarHBondContact O-N 3.47Å; Y84-A86 VanDerWaalsContact O-N 3.15Å |
| 87 | G | 57.8 | Low | 55.8 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | -106.1 | 111.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | T85 | T85-G87 VanDerWaalsContact C-N 3.35Å; T85-G87 PolarHBondContact O-N 3.15Å |
| 88 | K | 56.2 | Low | 55 | Low | 190 Ų | 190 | 113.2 Ų | 113.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -176.6 | 107.7 | 147.2 | -106.5 | 172.2 | 172.9 | -168.7 | 0 | 109.1 | | |
| 89 | V | 54.5 | Low | 54.3 | Low | 124 Ų | 124 | 110.6 Ų | 110.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | | 52.7 | 124.2 | 105 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 90 | S | 52.5 | Low | 53.6 | Low | 104 Ų | 104 | 116.2 Ų | 116.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | | 176.9 | 148.1 | 59.4 | 40.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 91 | A | 48.1 | Very low | 52.8 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | | | trans | 29.1 | 123.9 | 142 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 92 | G | 46.9 | Very low | 52.2 | Low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | 154.1 | 98.8 | 146 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 93 | G | 44.8 | Very low | 51.7 | Low | 89 Ų | 89 | 124.9 Ų | 124.9 | 92% | 0.918 | 82% | 0.823 | S | S | * | * | | | trans | 74.5 | 138.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 94 | G | 44.6 | Very low | 51.9 | Low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | cis | 153.1 | 135.4 | 12.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 95 | G | 43.2 | Very low | 51.9 | Low | 86 Ų | 86 | 123.4 Ų | 123.4 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | 96.3 | 112.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 96 | G | 42.8 | Very low | 51.7 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | | 118.3 | 94.5 | 119.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 97 | G | 43 | Very low | 51.8 | Low | 87 Ų | 87 | 122.6 Ų | 122.6 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | 70.5 | 131.9 | 146 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 98 | G | 45.6 | Very low | 51.9 | Low | 84 Ų | 84 | 126.3 Ų | 126.3 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | cis | 147.3 | 138 | 20.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 99 | G | 48.4 | Very low | 51.8 | Low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | trans | 118.5 | 85.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 100 | R | 53.2 | Low | 52.1 | Low | 220 Ų | 220 | 129.8 Ų | 129.8 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | | | | 59.4 | 98.4 | 129.4 | -62.2 | -169 | -80.7 | -134.1 | 1.9 | 121.3 | | |
| 101 | K | 51.9 | Low | 52.6 | Low | 198 Ų | 198 | 133.6 Ų | 133.6 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | | | | 37 | 95.7 | 118.6 | -60.5 | -176.9 | 179.1 | -175.9 | 0 | 120.6 | | |
| 102 | Y | 58.7 | Low | 53.2 | Low | 225 Ų | 225 | 135.3 Ų | 135.3 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | | | trans | -175.9 | 130.7 | 136.2 | 29.6 | -104.9 | 0 | 0 | 0 | 106.3 | | |
| 103 | G | 55.7 | Low | 53.8 | Low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | | 119.8 | 109.7 | 52.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 104 | K | 58.3 | Low | 54.1 | Low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -59 | 126.2 | -171.5 | -58.1 | 161.7 | 175.5 | -177.7 | 0 | 113.2 | | |
| 105 | H | 60.9 | Low | 54.6 | Low | 182 Ų | 182 | 144.2 Ų | 144.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | 170.6 | 123.1 | 144.6 | 52.2 | -83.6 | 0 | 0 | 0 | 107.2 | | |
| 106 | G | 56.4 | Low | 55.6 | Low | 65 Ų | 65 | 147.6 Ų | 147.6 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | | | | 112.1 | 84.1 | 71.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 107 | I | 64.6 | Low | 56.4 | Low | 158 Ų | 158 | 154 Ų | 154 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | 21.6 | 119.5 | 147.6 | 24.8 | 170.3 | 0 | 0 | 0 | 118.7 | | |
| 108 | L | 60.3 | Low | 57.3 | Low | 142 Ų | 142 | 157.9 Ų | 157.9 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | trans | 72.9 | 79.8 | 146.5 | -51.8 | 176.7 | 0 | 0 | 0 | 117.4 | L110 | L108-L110 HydrophobicContact CB-CD1 4.36Å; L108-L110 PolarHBondContact O-N 3.48Å |
| 109 | R | 54.4 | Low | 58 | Low | 253 Ų | 253 | 165.3 Ų | 165.3 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | | | trans | -71.5 | 85 | 147.3 | -66 | -172.3 | -174.6 | -171.8 | 2.1 | 108.7 | F111 | R109-F111 PolarHBondContact O-N 3.45Å; R109-F111 VanDerWaalsContact O-N 3.12Å |
| 110 | L | 60.9 | Low | 57.9 | Low | 135 Ų | 135 | 173.9 Ų | 173.9 | 71% | 0.707 | 82% | 0.82 | S | S | * | * | | | trans | -63.5 | 108.3 | 167.9 | -123.9 | 76.6 | 0 | 0 | 0 | 108.7 | L108 V112 | L108-L110 HydrophobicContact CB-CD1 4.36Å; L108-L110 PolarHBondContact O-N 3.48Å; L110-V112 PolarHBondContact O-N 3.32Å |
| 111 | F | 61.7 | Low | 57.7 | Low | 184 Ų | 184 | 167.2 Ų | 167.2 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | | | trans | 27.2 | 93.1 | 140.4 | -57.7 | -80.6 | 0 | 0 | 0 | 117.5 | R109 | R109-F111 PolarHBondContact O-N 3.45Å; R109-F111 VanDerWaalsContact O-N 3.12Å |
| 112 | V | 60.5 | Low | 57.4 | Low | 143 Ų | 143 | 161.4 Ų | 161.4 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | | 28.2 | 113.1 | 121.4 | -170.2 | 0 | 0 | 0 | 0 | 117 | L110 | L110-V112 PolarHBondContact O-N 3.32Š|
| 113 | L | 59.9 | Low | 57.3 | Low | 139 Ų | 139 | 162.6 Ų | 162.6 | 73% | 0.728 | 82% | 0.82 | S | S | * | * | | | trans | -55.4 | 167.5 | 177.8 | -58 | 160.4 | 0 | 0 | 0 | 114.8 | | |
| 114 | P | 51.6 | Low | 57.3 | Low | 124 Ų | 124 | 164.5 Ų | 164.5 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | | -139.5 | 146.7 | 96.4 | 33.2 | -16.9 | 0 | 0 | 0 | 116.1 | | |
| 115 | K | 55.2 | Low | 57.1 | Low | 174 Ų | 174 | 161.4 Ų | 161.4 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | | | trans | -53.9 | 131.6 | 178 | -64.6 | 166.4 | 150.9 | 78.5 | 0 | 113.7 | | |
| 116 | I | 64 | Low | 57 | Low | 157 Ų | 157 | 158.9 Ų | 158.9 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | | | trans | -107.2 | 120.6 | 160.8 | -60.4 | 174 | 0 | 0 | 0 | 108.5 | L118 | I116-L118 HydrophobicContact CG2-CD1 4.3Š|
| 117 | R | 58.4 | Low | 56.6 | Low | 215 Ų | 215 | 159.3 Ų | 159.3 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | trans | -87.4 | 123 | 178.4 | -54.3 | -172.8 | -168.6 | -169.8 | 5.2 | 108.8 | | |
| 118 | L | 63.2 | Low | 56.3 | Low | 169 Ų | 169 | 157.2 Ų | 157.2 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | | | trans | -106.6 | 115.7 | 161.4 | -111.4 | 73.9 | 0 | 0 | 0 | 109.4 | I116 | I116-L118 HydrophobicContact CG2-CD1 4.3Š|
| 119 | R | 59.5 | Low | 56 | Low | 240 Ų | 240 | 155.4 Ų | 155.4 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | -79.4 | 143.5 | 176.8 | -78.5 | -178.3 | 160.9 | -129.2 | -0.3 | 110.8 | | |
| 120 | R | 46.5 | Very low | 56.2 | Low | 251 Ų | 251 | 149.3 Ų | 149.3 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | | | trans | -93.6 | 143.8 | -180 | -175.7 | -176 | -151.3 | -171.9 | 6 | 110.6 | | |
| 121 | G | 48.8 | Very low | 55.8 | Low | 81 Ų | 81 | 148 Ų | 148 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 106.3 | 132 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 122 | G | 46.6 | Very low | 55.2 | Low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | cis | -177.5 | 153.6 | 0.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 123 | R | 56.2 | Low | 54 | Low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | | | trans | 63.5 | 152.8 | 143.5 | -83.7 | -162.8 | 155.6 | -157.1 | -3.7 | 122.6 | | |
| 124 | P | 55.7 | Low | 53.2 | Low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | | | trans | -130.1 | 172.3 | -131.1 | 42 | -25.6 | 0 | 0 | 0 | 114.7 | | |
| 125 | V | 53.4 | Low | 52.6 | Low | 145 Ų | 145 | 139.5 Ų | 139.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -148.5 | 121.1 | 156.4 | -80.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 126 | S | 58.8 | Low | 51.8 | Low | 129 Ų | 129 | 136.1 Ų | 136.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | 55.6 | 121.2 | 140 | -161.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 127 | G | 48.8 | Very low | 50.7 | Low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 155.8 | 62.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 128 | S | 58.3 | Low | 49.7 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -21.2 | 170.1 | 161 | -61.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 129 | P | 54.4 | Low | 48.5 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | cis | -143.3 | 167 | -25.3 | 36.5 | -16.4 | 0 | 0 | 0 | 116.4 | | |
| 130 | T | 57.4 | Low | 47.3 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | trans | 47 | 131.5 | 138.4 | 58.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 131 | S | 53 | Low | 46.9 | Very low | 108 Ų | 108 | 114.5 Ų | 114.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | cis | 174.4 | 161 | 37.9 | 42.3 | 0 | 0 | 0 | 0 | 104.6 | | |
| 132 | S | 49.3 | Very low | 46.2 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | cis | -172.8 | 143.3 | -2.3 | 35.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 133 | C | 35 | Very low | 45.8 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | 43.7 | 136.4 | 140.2 | -45.2 | 0 | 0 | 0 | 0 | 119 | | |
| 134 | A | 42.5 | Very low | 44.8 | Very low | 83 Ų | 83 | 110.7 Ų | 110.7 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | cis | -179.2 | 168.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 104.3 | | |
| 135 | S | 40.6 | Very low | 43.6 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | 89.5 | 110.1 | 154.6 | -28.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 136 | S | 38.3 | Very low | 42.8 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | | 91.3 | 104.1 | 128.6 | -48.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 137 | T | 40.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 74.3 | 105.3 | 132.3 | 51.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 138 | S | 38.1 | Very low | 40.9 | Very low | 117 Ų | 117 | 116.2 Ų | 116.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | 76.7 | 81.2 | 127.8 | -46.1 | 0 | 0 | 0 | 0 | 118 | S140 | S138-S140 PolarHBondContact O-N 3.43Š|
| 139 | S | 36.4 | Very low | 40 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | trans | -73.8 | 114.4 | 158.1 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 140 | S | 34.6 | Very low | 39.1 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | | 33.9 | 116.7 | 128.8 | -43.6 | 0 | 0 | 0 | 0 | 119 | S138 | S138-S140 PolarHBondContact O-N 3.43Š|
| 141 | S | 38.4 | Very low | 38.4 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | | 168.1 | 109.3 | 102.2 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 142 | S | 33.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | | 37.7 | 117.4 | 125.6 | -34.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 143 | S | 39.8 | Very low | 37.3 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | | -174.9 | 98.6 | 109.3 | -75.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 144 | A | 33.7 | Very low | 37.7 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | | | trans | -72.6 | 144.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 145 | S | 31.5 | Very low | 37.7 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | | | trans | 46.2 | 120.6 | 145.4 | 52.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 146 | F | 36.8 | Very low | 37.7 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | | -176.8 | 128.4 | 109.1 | -82.8 | -50.6 | 0 | 0 | 0 | 110.7 | | |
| 147 | Y | 32.6 | Very low | 38 | Very low | 205 Ų | 205 | 129.4 Ų | 129.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 37.7 | 104.2 | 149.1 | -59.8 | -75.4 | 0 | 0 | 0 | 118.4 | | |
| 148 | S | 34.1 | Very low | 38.2 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -152.6 | 128.1 | 143.9 | -94.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 149 | S | 39.2 | Very low | 38.3 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | | | trans | 81.2 | 76.4 | 147.9 | -50.2 | 0 | 0 | 0 | 0 | 116.7 | S151 | S149-S151 PolarHBondContact O-N 3.29Š|
| 150 | Y | 35.6 | Very low | 39.1 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | | -12.4 | 111 | 127.9 | 9.3 | -89.8 | 0 | 0 | 0 | 112.9 | | |
| 151 | S | 42.9 | Very low | 39.7 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | -143.1 | 109.9 | 154.5 | -80 | 0 | 0 | 0 | 0 | 107.4 | S149 | S149-S151 PolarHBondContact O-N 3.29Š|
| 152 | L | 37.1 | Very low | 39.5 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | -73.6 | 140 | -173.3 | -62.7 | 157.6 | 0 | 0 | 0 | 110.7 | F154 | L152-F154 HydrophobicContact CB-CD1 4.46Å; L152-F154 HydrophobicContact CB-CE1 3.52Å; L152-F154 HydrophobicContact CB-CZ 3.54Å; L152-F154 HydrophobicContact CD1-CE1 4.19Å; L152-F154 HydrophobicContact CD1-CZ 4.4Å; L152-F154 HydrophobicContact CD2-CE1 4.11Å; L152-F154 HydrophobicContact CG-CE1 4.15Å; L152-F154 HydrophobicContact CG-CZ 4.48Å |
| 153 | S | 42 | Very low | 40.1 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -163.4 | 91.7 | 141.9 | -78.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 154 | F | 43.8 | Very low | 40.1 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | trans | -19.2 | 152 | 137.4 | 12 | -96.9 | 0 | 0 | 0 | 114.7 | L152 | L152-F154 HydrophobicContact CB-CD1 4.46Å; L152-F154 HydrophobicContact CB-CE1 3.52Å; L152-F154 HydrophobicContact CB-CZ 3.54Å; L152-F154 HydrophobicContact CD1-CE1 4.19Å; L152-F154 HydrophobicContact CD1-CZ 4.4Å; L152-F154 HydrophobicContact CD2-CE1 4.11Å; L152-F154 HydrophobicContact CG-CE1 4.15Å; L152-F154 HydrophobicContact CG-CZ 4.48Å |
| 155 | R | 42.2 | Very low | 40.5 | Very low | 228 Ų | 228 | 136 Ų | 136 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | cis | -172.5 | 135.7 | 24.6 | -106.4 | 158.4 | 154.5 | -99.3 | -3.7 | 105.2 | | |
| 156 | S | 41.3 | Very low | 40.9 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | | 95.7 | 129.4 | 71.6 | -160.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 157 | T | 43.5 | Very low | 41.1 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | trans | 69.5 | 127.2 | 158.4 | 58.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 158 | Q | 46.1 | Very low | 41.6 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | | -155.1 | 140.9 | 66.6 | -76.2 | 162.2 | 79.9 | 0 | 0 | 112.9 | | |
| 159 | S | 40.6 | Very low | 41.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -69.1 | -177.9 | 163.7 | 36.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 160 | P | 52.9 | Low | 42.1 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | -137.4 | 172 | 12.7 | 39.9 | -20.2 | 0 | 0 | 0 | 115.4 | | |
| 161 | T | 46.3 | Very low | 42.6 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | | -177.1 | 143 | 119.1 | 38.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 162 | C | 34 | Very low | 42.5 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -84.6 | 176.7 | -162.6 | 46.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 163 | S | 46.5 | Very low | 42.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 91.5 | 133.8 | 171.1 | 77.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 164 | S | 40.6 | Very low | 42.9 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | cis | -160.8 | 154.4 | 0.2 | -160.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 165 | M | 40.8 | Very low | 42.9 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | trans | -85.4 | 162.5 | -178.6 | -49.3 | 179.3 | 76.2 | 0 | 0 | 112.5 | | |
| 166 | R | 40.2 | Very low | 43.3 | Very low | 212 Ų | 212 | 128.5 Ų | 128.5 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 97.6 | 144.1 | 145.9 | -60.1 | 150.8 | -158.3 | -75.5 | 1.2 | 118.7 | | |
| 167 | S | 41 | Very low | 43.9 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | 92.3 | 100.9 | 158.6 | -152.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 168 | L | 42.1 | Very low | 44.5 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | | 63.2 | 138.2 | 81.3 | -75.9 | 162.3 | 0 | 0 | 0 | 113.1 | | |
| 169 | Q | 42.3 | Very low | 44.9 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | 85.2 | 114 | 167.4 | -124 | 74.6 | 17.3 | 0 | 0 | 117.3 | | |
| 170 | G | 41.8 | Very low | 45.5 | Very low | 60 Ų | 60 | 128.7 Ų | 128.7 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | | 129.2 | 95.9 | 122.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 171 | H | 47 | Very low | 46.1 | Very low | 195 Ų | 195 | 130.9 Ų | 130.9 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | trans | 71.1 | 121.5 | 130.1 | -72.3 | -79.4 | 0 | 0 | 0 | 122.9 | | |
| 172 | G | 41.1 | Very low | 46.7 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | 113 | 122.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 173 | G | 43.8 | Very low | 48.3 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | cis | 169.5 | 163.1 | 5.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 174 | G | 42.5 | Very low | 49.3 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | 98 | 94.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 175 | G | 44.7 | Very low | 50.5 | Low | 62 Ų | 62 | 131.7 Ų | 131.7 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | | 82.6 | 123 | 76.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 176 | R | 50.7 | Low | 51.5 | Low | 237 Ų | 237 | 131.7 Ų | 131.7 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | | | | -172.6 | 124.6 | 60.6 | -13.5 | 179.7 | -174.8 | -81.8 | -8.2 | 105 | | |
| 177 | A | 53 | Low | 52.7 | Low | 81 Ų | 81 | 128.9 Ų | 128.9 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | | 85.8 | 107.6 | 89.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 178 | F | 55.9 | Low | 53.3 | Low | 217 Ų | 217 | 127.1 Ų | 127.1 | 95% | 0.952 | 77% | 0.773 | S | S | * | * | | | trans | -151.4 | 119.1 | 135.8 | -77.8 | -66.1 | 0 | 0 | 0 | 107.3 | | |
| 179 | G | 54.7 | Low | 54.6 | Low | 84 Ų | 84 | 123.4 Ų | 123.4 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -85.7 | 157.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 180 | D | 53.3 | Low | 55.3 | Low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -85.5 | 145.2 | 178 | -174.6 | -120.8 | 0 | 0 | 0 | 109.4 | | |
| 181 | D | 66 | Low | 56.4 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -144.6 | 109.9 | 166.5 | -126.3 | -104 | 0 | 0 | 0 | 105.9 | | |
| 182 | D | 57.8 | Low | 56.9 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | -121.5 | 121.4 | -173.1 | -145.7 | -51.6 | 0 | 0 | 0 | 103.6 | | |
| 183 | D | 67.8 | Low | 57.7 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -149.8 | 114.9 | 171.3 | -81.7 | -45 | 0 | 0 | 0 | 109.7 | | |
| 184 | D | 67.9 | Low | 57.8 | Low | 116 Ų | 116 | 129 Ų | 129 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | | 70.7 | 115 | 124.8 | -63.8 | -19.9 | 0 | 0 | 0 | 119.4 | | |
| 185 | D | 66.8 | Low | 58.1 | Low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | | 117 | 154.1 | 77.9 | -87 | -29.2 | 0 | 0 | 0 | 105.7 | | |
| 186 | D | 61.6 | Low | 58.2 | Low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | cis | -171.3 | 170.8 | -24.4 | -163.8 | -85.8 | 0 | 0 | 0 | 104.1 | | |
| 187 | D | 64.6 | Low | 58.5 | Low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 70.5 | 127.9 | 162.5 | -141.8 | 51.1 | 0 | 0 | 0 | 118.1 | | |
| 188 | G | 53.4 | Low | 58.4 | Low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | cis | 124.8 | 114.8 | 35.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 189 | G | 69.6 | Low | 58.6 | Low | 72 Ų | 72 | 121.6 Ų | 121.6 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | 160.5 | 74.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 190 | D | 57.2 | Low | 58.4 | Low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | | | trans | -45.9 | 131.2 | 147.4 | 34.3 | -64.1 | 0 | 0 | 0 | 111.4 | | |
| 191 | D | 65.9 | Low | 58.6 | Low | 159 Ų | 159 | 131.6 Ų | 131.6 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | trans | -175.9 | 129.8 | 149.1 | -80.9 | -36.9 | 0 | 0 | 0 | 109.7 | | |
| 192 | D | 55.6 | Low | 58.2 | Low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -57 | 165.5 | 180 | -67.2 | -86.7 | 0 | 0 | 0 | 115.6 | | |
| 193 | M | 59.1 | Low | 58.4 | Low | 176 Ų | 176 | 134.4 Ų | 134.4 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | 98.9 | 103.6 | 144.6 | -151.9 | 64.9 | 175 | 0 | 0 | 117.7 | | |
| 194 | A | 46.6 | Very low | 57.5 | Low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | trans | 75 | 131.6 | 135.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 195 | A | 47.3 | Very low | 56.9 | Low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 78.5 | 117.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 196 | S | 47.3 | Very low | 56.4 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | 54 | 109.6 | 131.4 | -58.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 197 | T | 56.3 | Low | 55.7 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | | 170.4 | 91.9 | 116 | -62.7 | 0 | 0 | 0 | 0 | 108.1 | C199 | T197-C199 VanDerWaalsContact C-N 3.33Å; T197-C199 WeakPolarHBondContact CG2-SG 3.11Å; T197-C199 PolarHBondContact O-N 3.41Å; T197-C199 VanDerWaalsContact O-N 3.1Å |
| 198 | A | 52.6 | Low | 55.3 | Low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | -78.8 | 87.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | F200 | A198-F200 PolarHBondContact O-N 3.45Å; A198-F200 VanDerWaalsContact O-N 3.17Å |
| 199 | C | 60 | Low | 55.4 | Low | 106 Ų | 106 | 142.3 Ų | 142.3 | 72% | 0.716 | 77% | 0.773 | S | S | * | * | | | trans | -68.3 | 104.5 | 171.2 | -78.9 | 0 | 0 | 0 | 0 | 110 | T197 R201 | T197-C199 VanDerWaalsContact C-N 3.33Å; T197-C199 WeakPolarHBondContact CG2-SG 3.11Å; T197-C199 PolarHBondContact O-N 3.41Å; T197-C199 VanDerWaalsContact O-N 3.1Å; C199-R201 PolarHBondContact O-N 2.88Å; C199-R201 VanDerWaalsContact O-N 3.17Å |
| 200 | F | 50.6 | Low | 54.9 | Low | 197 Ų | 197 | 146.3 Ų | 146.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -51.6 | 115.2 | 162.5 | -83.4 | -98.1 | 0 | 0 | 0 | 110.3 | A198 V202 | A198-F200 PolarHBondContact O-N 3.45Å; A198-F200 VanDerWaalsContact O-N 3.17Å; F200-V202 PolarHBondContact O-N 3.15Å |
| 201 | R | 56.7 | Low | 55 | Low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -88.2 | 96.9 | 159.4 | -76.1 | -166.2 | -168.6 | 167.4 | 4 | 108.9 | C199 R203 | C199-R201 PolarHBondContact O-N 2.88Å; C199-R201 VanDerWaalsContact O-N 3.17Å; R201-R203 PolarHBondContact O-N 3.24Å |
| 202 | V | 57.2 | Low | 54.5 | Low | 125 Ų | 125 | 147.5 Ų | 147.5 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | trans | -75.9 | 112.8 | 160.5 | 170 | 0 | 0 | 0 | 0 | 107.4 | F200 | F200-V202 PolarHBondContact O-N 3.15Š|
| 203 | R | 62.6 | Low | 54.4 | Low | 223 Ų | 223 | 145.4 Ų | 145.4 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -88.1 | 114.9 | 162.2 | -84.5 | -162.6 | 173.4 | 147.8 | -1.5 | 108.8 | R201 | R201-R203 PolarHBondContact O-N 3.24Š|
| 204 | H | 49.4 | Very low | 54.3 | Low | 153 Ų | 153 | 149 Ų | 149 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | trans | -88.4 | 104.1 | 169.3 | -179.7 | -90.4 | 0 | 0 | 0 | 107.8 | | |
| 205 | E | 53.6 | Low | 54.6 | Low | 164 Ų | 164 | 150.3 Ų | 150.3 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -128.3 | 95.1 | 173.4 | -158.1 | 62.3 | -121.3 | 0 | 0 | 109.6 | | |
| 206 | S | 56.9 | Low | 55.4 | Low | 72 Ų | 72 | 150.8 Ų | 150.8 | 50% | 0.503 | 78% | 0.778 | S | S | . | * | | | trans | 39.3 | 107.8 | 140.4 | 55.5 | 0 | 0 | 0 | 0 | 120 | R208 | S206-R208 PolarHBondContact O-N 3.12Š|
| 207 | F | 47.8 | Very low | 56 | Low | 191 Ų | 191 | 152.9 Ų | 152.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -39.5 | 122 | 158.5 | -59.7 | -99 | 0 | 0 | 0 | 113.8 | | |
| 208 | R | 55.7 | Low | 56.7 | Low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -121.3 | 109.2 | 151.8 | -76.4 | -173.5 | 176.8 | -116 | 0.2 | 109.5 | S206 I210 | S206-R208 PolarHBondContact O-N 3.12Å; R208-I210 PolarHBondContact O-N 3.06Å |
| 209 | A | 55.3 | Low | 57.4 | Low | 87 Ų | 87 | 155.3 Ų | 155.3 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | -58.6 | 115.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K211 | A209-K211 VanDerWaalsContact C-N 3.3Å; A209-K211 PolarHBondContact O-N 3.47Å; A209-K211 VanDerWaalsContact O-N 3.12Å |
| 210 | I | 58.5 | Low | 57.6 | Low | 155 Ų | 155 | 161.9 Ų | 161.9 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | | | trans | -81.9 | 86.4 | 162.9 | -57.9 | 175.9 | 0 | 0 | 0 | 106.8 | R208 | R208-I210 PolarHBondContact O-N 3.06Š|
| 211 | K | 60.3 | Low | 57.9 | Low | 174 Ų | 174 | 157.7 Ų | 157.7 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | trans | -65.1 | 131.6 | 161.7 | -76.6 | 172.7 | 173.9 | 171.1 | 0 | 107.6 | A209 | A209-K211 VanDerWaalsContact C-N 3.3Å; A209-K211 PolarHBondContact O-N 3.47Å; A209-K211 VanDerWaalsContact O-N 3.12Å |
| 212 | N | 56.2 | Low | 58.3 | Low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | 110.1 | 26.8 | 162.3 | -52.2 | -4.2 | 0 | 0 | 0 | 119.1 | R214 | N212-R214 PolarHBondContact O-N 3.12Š|
| 213 | C | 52.2 | Low | 58.8 | Low | 114 Ų | 114 | 153.2 Ų | 153.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -89.5 | 97.9 | 159.7 | -83.3 | 0 | 0 | 0 | 0 | 111 | | |
| 214 | R | 57.6 | Low | 58.5 | Low | 250 Ų | 250 | 148.4 Ų | 148.4 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | | | trans | -95.3 | 103 | 158.8 | -77.8 | -176.7 | 176.5 | 152 | -1.1 | 107.6 | N212 | N212-R214 PolarHBondContact O-N 3.12Š|
| 215 | V | 53.4 | Low | 58.6 | Low | 109 Ų | 109 | 146.3 Ų | 146.3 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | | | trans | -114 | 102 | 163.1 | -179 | 0 | 0 | 0 | 0 | 106.7 | M217 | V215-M217 HydrophobicContact CG1-CE 3.89Å; V215-M217 HydrophobicContact CG1-CG 4.33Å; V215-M217 HydrophobicContact CG1-SD 4.47Å; V215-M217 PolarHBondContact O-N 3.49Å |
| 216 | A | 63.1 | Low | 58.6 | Low | 95 Ų | 95 | 145.4 Ų | 145.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -80 | 111.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 217 | M | 60.5 | Low | 58.4 | Low | 156 Ų | 156 | 146.8 Ų | 146.8 | 77% | 0.768 | 81% | 0.812 | S | S | * | * | | | trans | -94.9 | 112.2 | 167.9 | -67.8 | -73.1 | -174.1 | 0 | 0 | 107.6 | V215 | V215-M217 HydrophobicContact CG1-CE 3.89Å; V215-M217 HydrophobicContact CG1-CG 4.33Å; V215-M217 HydrophobicContact CG1-SD 4.47Å; V215-M217 PolarHBondContact O-N 3.49Å |
| 218 | T | 71 | Confident | 58.4 | Low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -95.3 | 102.2 | 169.2 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 219 | V | 66.8 | Low | 58 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -94.5 | 110 | 171.2 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 220 | R | 63.9 | Low | 57.8 | Low | 244 Ų | 244 | 135.6 Ų | 135.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -92 | 108 | 171.3 | -66.2 | 177.9 | 87.8 | 167.6 | 4.3 | 107.9 | | |
| 221 | S | 57.7 | Low | 57.3 | Low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -85.6 | 125.8 | 168.7 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 222 | A | 64.9 | Low | 56.9 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -122.4 | 107.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 223 | I | 67.5 | Low | 56.4 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.9 | 171.7 | 38.7 | 172.4 | 0 | 0 | 0 | 110.6 | | |
| 224 | S | 55.5 | Low | 56.1 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 117.3 | 166.8 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 225 | S | 52.5 | Low | 55.8 | Low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 120.4 | 176.6 | 47.2 | 0 | 0 | 0 | 0 | 111 | | |
| 226 | V | 52.6 | Low | 55.6 | Low | 146 Ų | 146 | 119.1 Ų | 119.1 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 125.1 | 159.6 | 130.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 227 | A | 52.7 | Low | 55.3 | Low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | -117.9 | 117.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 228 | A | 48.1 | Very low | 55.1 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -79.7 | 152.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 229 | G | 48.4 | Very low | 54.4 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | trans | 169 | 100.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 230 | A | 51.4 | Low | 54 | Low | 110 Ų | 110 | 114.1 Ų | 114.1 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | | 45.4 | 109.9 | 75.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 231 | G | 46.8 | Very low | 53.6 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | cis | 106.2 | 92.3 | 43.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 232 | A | 52.8 | Low | 53.8 | Low | 105 Ų | 105 | 108.1 Ų | 108.1 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | 163.9 | 128.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 233 | G | 44.2 | Very low | 53.2 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | cis | 104 | 105.3 | 42.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 234 | G | 46.6 | Very low | 53 | Low | 59 Ų | 59 | 114.5 Ų | 114.5 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | | | trans | 125.2 | 118.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 235 | H | 51 | Low | 53.1 | Low | 204 Ų | 204 | 113.1 Ų | 113.1 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | | | trans | 63.8 | 127 | 134.5 | -45.3 | -86.3 | 0 | 0 | 0 | 121.2 | | |
| 236 | G | 48.8 | Very low | 53.6 | Low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | | | trans | 162.7 | 81.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 237 | S | 57.4 | Low | 53.6 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -62.8 | 150.7 | 172.2 | -47.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 238 | S | 55.9 | Low | 53.7 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | | | trans | 166.2 | 106.7 | 137.2 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 239 | A | 56.7 | Low | 54 | Low | 94 Ų | 94 | 116.2 Ų | 116.2 | 78% | 0.777 | 84% | 0.844 | S | S | * | * | | | | 58.3 | 131.6 | 95.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 240 | A | 59 | Low | 54.3 | Low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 85% | 0.852 | S | S | * | * | | | cis | -174.2 | 174 | 25 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 241 | V | 55.3 | Low | 54.5 | Low | 144 Ų | 144 | 119.6 Ų | 119.6 | 87% | 0.873 | 85% | 0.849 | S | S | * | * | | | trans | 76.2 | 138.3 | 147.4 | 171.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 242 | A | 60.8 | Low | 55 | Low | 83 Ų | 83 | 122 Ų | 122 | 69% | 0.686 | 85% | 0.848 | S | S | * | * | | | cis | -169.3 | 165.1 | -19 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 243 | Q | 53 | Low | 55.2 | Low | 188 Ų | 188 | 123.2 Ų | 123.2 | 88% | 0.879 | 85% | 0.847 | S | S | * | * | | | trans | -55.9 | 154.8 | -178.9 | -63.7 | 153.8 | -81.2 | 0 | 0 | 115.2 | | |
| 244 | K | 63.8 | Low | 56 | Low | 208 Ų | 208 | 126.5 Ų | 126.5 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | | | trans | -143.1 | 110.6 | 134.2 | -165.5 | 163.6 | -178.2 | 176.7 | 0 | 110.1 | | |
| 245 | A | 57.6 | Low | 56.8 | Low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 87% | 0.868 | S | S | * | * | | | trans | -91.7 | 130.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 246 | A | 62.5 | Low | 57.3 | Low | 173 Ų | 173 | 125.5 Ų | 125.5 | 100% | 1.43 | 86% | 0.861 | S | S | * | * | | | trans | -173.5 | 0 | 147.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |