| 1 | M | 85.3 | Confident | 91.4 | Very high | 125 Ų | 125 | 115.6 Ų | 115.6 | 62% | 0.616 | 56% | 0.56 | S | S | * | * | | | | 0 | 174 | 0 | -162.1 | 172.3 | -165.4 | 0 | 0 | 107.6 | T11 D13 | M1-T11 PolarHBondContact N-O 3.11Å; M1-T11 WeakPolarHBondContact CA-OG1 3.31Å; M1-T11 PolarHBondContact O-OG1 3.14Å; M1-T11 PolarHBondContact O-N 3.1Å; M1-T11 PolarHBondContact N-OG1 3.25Å; M1-T11 WeakPolarHBondContact O-CA 3.48Å; M1-D13 HydrophobicContact CB-CB 3.99Å; M1-D13 PolarHBondContact N-O 2.74Å |
| 2 | R | 90.9 | Very high | 91.4 | Very high | 167 Ų | 167 | 122.3 Ų | 122.3 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | B | Isolated β-bridge | trans | -87.3 | 144 | 169.2 | -72.8 | -177.3 | -176.9 | -166.3 | 5 | 109.2 | Q7 L10 | R2-Q7 WeakPolarHBondContact CD-O 3.35Å; R2-L10 HydrophobicContact CG-CD1 4.39Å |
| 3 | D | 91.9 | Very high | 91.5 | Very high | 29 Ų | 29 | 121 Ų | 121 | 16% | 0.155 | 59% | 0.588 | C | S | . | * | | | trans | -62.2 | 131.2 | 174.5 | -168.7 | -49.6 | 0 | 0 | 0 | 108.9 | D5 D6 K9 T11 | D3-D5 PolarHBondContact O-N 3.38Å; D3-D5 PolarHBondContact OD1-N 2.94Å; D3-D6 WeakPolarHBondContact CB-O 3.48Å; D3-D6 CarbonylContact O-C 3.4Å; D3-D6 PolarHBondContact O-N 2.81Å; D3-D6 PolarHBondContact OD1-N 2.83Å; D3-K9 IonicContact OD2-NZ 2.81Å; D3-K9 PolarHBondContact OD2-NZ 2.92Å; D3-K9 VanDerWaalsContact N-O 3.08Å; D3-K9 HydrophobicContact CB-CG 4.32Å; D3-K9 HydrophobicContact CB-CD 4.22Å; D3-K9 HydrophobicContact CB-CB 4.05Å; D3-K9 PolarHBondContact N-O 2.94Å; D3-T11 HydrophobicContact CB-CG2 4.13Å |
| 4 | P | 92 | Very high | 91.6 | Very high | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -65.5 | -26.5 | -179.2 | 26.4 | -34.6 | 0 | 0 | 0 | 113.2 | | |
| 5 | D | 94.6 | Very high | 91.8 | Very high | 158 Ų | 158 | 125.7 Ų | 125.7 | 85% | 0.845 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -93.2 | -19.9 | -178.9 | -62.1 | -49.1 | 0 | 0 | 0 | 112.1 | D3 | D3-D5 PolarHBondContact O-N 3.38Å; D3-D5 PolarHBondContact OD1-N 2.94Å |
| 6 | D | 93.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 129.3 Ų | 129.3 | 39% | 0.39 | 62% | 0.624 | S | S | . | * | | | trans | -140.3 | 105.3 | 176.5 | -175.4 | -3 | 0 | 0 | 0 | 113.1 | D3 Y8 K9 | D3-D6 WeakPolarHBondContact CB-O 3.48Å; D3-D6 CarbonylContact O-C 3.4Å; D3-D6 PolarHBondContact O-N 2.81Å; D3-D6 PolarHBondContact OD1-N 2.83Å; D6-Y8 PolarHBondContact O-N 3.49Å; D6-Y8 VanDerWaalsContact O-N 3.1Å; D6-Y8 PolarHBondContact OD1-N 3.45Å; D6-K9 VanDerWaalsContact O-N 3.12Å; D6-K9 PolarHBondContact O-N 3.12Å; D6-K9 HydrophobicContact CB-CB 4.16Å |
| 7 | Q | 90.8 | Very high | 92.3 | Very high | 120 Ų | 120 | 128.1 Ų | 128.1 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -16.7 | -178.8 | 70.3 | -178.9 | -68.4 | 0 | 0 | 115.4 | R2 | R2-Q7 WeakPolarHBondContact CD-O 3.35Š|
| 8 | Y | 92.8 | Very high | 92.6 | Very high | 198 Ų | 198 | 125.1 Ų | 125.1 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -11 | -179.9 | -62.6 | -73.9 | 0 | 0 | 0 | 112.6 | D6 | D6-Y8 PolarHBondContact O-N 3.49Å; D6-Y8 VanDerWaalsContact O-N 3.1Å; D6-Y8 PolarHBondContact OD1-N 3.45Å |
| 9 | K | 91.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 127.8 Ų | 127.8 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -93.8 | 118.5 | 177.9 | -174.1 | 178.8 | 164.1 | -148.8 | 0 | 110.3 | D3 D6 | D3-K9 IonicContact OD2-NZ 2.81Å; D3-K9 PolarHBondContact OD2-NZ 2.92Å; D3-K9 VanDerWaalsContact N-O 3.08Å; D3-K9 HydrophobicContact CB-CG 4.32Å; D3-K9 HydrophobicContact CB-CD 4.22Å; D3-K9 HydrophobicContact CB-CB 4.05Å; D3-K9 PolarHBondContact N-O 2.94Å; D6-K9 VanDerWaalsContact O-N 3.12Å; D6-K9 PolarHBondContact O-N 3.12Å; D6-K9 HydrophobicContact CB-CB 4.16Å |
| 10 | L | 89.7 | Confident | 93.1 | Very high | 138 Ų | 138 | 125.3 Ų | 125.3 | 72% | 0.723 | 64% | 0.636 | S | S | * | * | B | Isolated β-bridge | trans | -87.9 | 127.1 | 172.1 | -166.6 | 70.1 | 0 | 0 | 0 | 109.3 | R2 | R2-L10 HydrophobicContact CG-CD1 4.39Å |
| 11 | T | 92.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 126.2 Ų | 126.2 | 19% | 0.19 | 65% | 0.648 | C | S | . | * | P | Polyproline II helix | trans | -91.2 | 156 | 170 | 79.4 | 0 | 0 | 0 | 0 | 110.4 | M1 D3 D13 | M1-T11 PolarHBondContact N-O 3.11Å; M1-T11 WeakPolarHBondContact CA-OG1 3.31Å; M1-T11 PolarHBondContact O-OG1 3.14Å; M1-T11 PolarHBondContact O-N 3.1Å; M1-T11 PolarHBondContact N-OG1 3.25Å; M1-T11 WeakPolarHBondContact O-CA 3.48Å; D3-T11 HydrophobicContact CB-CG2 4.13Å; T11-D13 WeakPolarHBondContact CB-OD2 3.4Å; T11-D13 PolarHBondContact O-N 3.08Å; T11-D13 WeakPolarHBondContact OG1-CB 3.45Å; T11-D13 PolarHBondContact OG1-N 2.99Å; T11-D13 PolarHBondContact OG1-OD2 3.01Å |
| 12 | E | 91.3 | Very high | 93.9 | Very high | 195 Ų | 195 | 124.9 Ų | 124.9 | 91% | 0.911 | 65% | 0.649 | S | S | * | * | | | trans | -77 | 0.9 | 175.1 | -59.8 | -169.2 | 164 | 0 | 0 | 113.2 | T14 | E12-T14 PolarHBondContact O-N 3.12Š|
| 13 | D | 92.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 125.6 Ų | 125.6 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | | | trans | -65.2 | 133.6 | -178.3 | -54 | -46.7 | 0 | 0 | 0 | 111.6 | M1 T11 | M1-D13 HydrophobicContact CB-CB 3.99Å; M1-D13 PolarHBondContact N-O 2.74Å; T11-D13 WeakPolarHBondContact CB-OD2 3.4Å; T11-D13 PolarHBondContact O-N 3.08Å; T11-D13 WeakPolarHBondContact OG1-CB 3.45Å; T11-D13 PolarHBondContact OG1-N 2.99Å; T11-D13 PolarHBondContact OG1-OD2 3.01Å |
| 14 | T | 92.5 | Very high | 94.6 | Very high | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 67% | 0.674 | S | S | * | * | | | trans | -116.2 | 155.3 | 175.5 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | E12 | E12-T14 PolarHBondContact O-N 3.12Š|
| 15 | R | 94.3 | Very high | 94.9 | Very high | 180 Ų | 180 | 126.8 Ų | 126.8 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | | | trans | -131.4 | 141.6 | 174.4 | 71.8 | 178.4 | -177.1 | 170.2 | 4.8 | 110.9 | L17 | R15-L17 HydrophobicContact CG-CD2 4.14Å; R15-L17 HydrophobicContact CG-CG 4.45Å |
| 16 | Q | 96.9 | Very high | 95 | Very high | 182 Ų | 182 | 123.3 Ų | 123.3 | 85% | 0.85 | 66% | 0.658 | S | S | * | * | | | trans | -76 | 129.8 | 176.2 | -61.4 | -63.6 | 78.1 | 0 | 0 | 110.4 | | |
| 17 | L | 96.4 | Very high | 95.2 | Very high | 109 Ų | 109 | 123 Ų | 123 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | | | trans | -113.3 | -14.7 | 179.2 | -65.2 | -179.8 | 0 | 0 | 0 | 114.1 | R15 V20 | R15-L17 HydrophobicContact CG-CD2 4.14Å; R15-L17 HydrophobicContact CG-CG 4.45Å; L17-V20 HydrophobicContact CB-CG1 3.77Å |
| 18 | G | 97.7 | Very high | 95.5 | Very high | 74 Ų | 74 | 124.4 Ų | 124.4 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | | | trans | 69.2 | -143.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 19 | L | 97.9 | Very high | 95.7 | Very high | 177 Ų | 177 | 121.1 Ų | 121.1 | 93% | 0.927 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -80.5 | 126.4 | 176 | 179.8 | 63.4 | 0 | 0 | 0 | 110.2 | | |
| 20 | V | 97.5 | Very high | 95.9 | Very high | 77 Ų | 77 | 123 Ų | 123 | 47% | 0.467 | 68% | 0.684 | S | S | . | * | | | trans | -128.3 | 154.4 | -177.8 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | L17 | L17-V20 HydrophobicContact CB-CG1 3.77Š|
| 21 | V | 98.1 | Very high | 96.2 | Very high | 146 Ų | 146 | 119.6 Ų | 119.6 | 89% | 0.885 | 67% | 0.671 | S | S | * | * | | | trans | -113.8 | 117.7 | 167.1 | 179.5 | 0 | 0 | 0 | 0 | 108 | | |
| 22 | C | 97.1 | Very high | 96.5 | Very high | 96 Ų | 96 | 123.1 Ų | 123.1 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | | | trans | -86.5 | 135 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | G24 V27 | C22-G24 PolarHBondContact O-N 2.69Å; C22-V27 HydrophobicContact CB-CG2 4.31Å |
| 23 | R | 98.3 | Very high | 96.6 | Very high | 183 Ų | 183 | 122 Ų | 122 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | | | trans | -76.2 | 112.9 | 175.1 | -178.9 | -179.7 | 171.8 | 163.2 | 1.2 | 110.1 | T25 S26 | R23-T25 VanDerWaalsContact C-N 3.28Å; R23-T25 WeakPolarHBondContact CG-OG1 3.46Å; R23-T25 PolarHBondContact NE-OG1 3.37Å; R23-T25 PolarHBondContact O-N 3.01Å; R23-S26 PolarHBondContact O-N 2.89Å |
| 24 | G | 97.9 | Very high | 96.8 | Very high | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -56.4 | -35.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C22 S26 V27 | C22-G24 PolarHBondContact O-N 2.69Å; G24-S26 PolarHBondContact O-N 3.28Å; G24-S26 VanDerWaalsContact O-N 3.16Å; G24-V27 PolarHBondContact O-N 2.89Å |
| 25 | T | 97.9 | Very high | 96.9 | Very high | 117 Ų | 117 | 122.1 Ų | 122.1 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -67.6 | -12.2 | 177.4 | 38.2 | 0 | 0 | 0 | 0 | 114.5 | R23 | R23-T25 VanDerWaalsContact C-N 3.28Å; R23-T25 WeakPolarHBondContact CG-OG1 3.46Å; R23-T25 PolarHBondContact NE-OG1 3.37Å; R23-T25 PolarHBondContact O-N 3.01Å |
| 26 | S | 97.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -103.6 | -9.8 | 176.1 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | R23 G24 | R23-S26 PolarHBondContact O-N 2.89Å; G24-S26 PolarHBondContact O-N 3.28Å; G24-S26 VanDerWaalsContact O-N 3.16Å |
| 27 | V | 96.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 118.5 Ų | 118.5 | 40% | 0.4 | 70% | 0.696 | S | S | . | * | | | trans | -85.9 | 128.2 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | C22 G24 I30 | C22-V27 HydrophobicContact CB-CG2 4.31Å; G24-V27 PolarHBondContact O-N 2.89Å; V27-I30 HydrophobicContact CG1-CD1 4.21Å; V27-I30 HydrophobicContact CG1-CG1 3.85Å |
| 28 | V | 98.1 | Very high | 96.5 | Very high | 149 Ų | 149 | 118.4 Ų | 118.4 | 90% | 0.903 | 71% | 0.711 | S | S | * | * | | | trans | -108.3 | -25.4 | -179 | -64.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 29 | L | 96.6 | Very high | 96.2 | Very high | 130 Ų | 130 | 120.2 Ų | 120.2 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | | | trans | -148.8 | 141.8 | -177 | -177.8 | 66.8 | 0 | 0 | 0 | 110.7 | | |
| 30 | I | 96.5 | Very high | 95.9 | Very high | 148 Ų | 148 | 117.2 Ų | 117.2 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | | | trans | -133.2 | 125.2 | 168.6 | -56.2 | 178.8 | 0 | 0 | 0 | 107.6 | V27 | V27-I30 HydrophobicContact CG1-CD1 4.21Å; V27-I30 HydrophobicContact CG1-CG1 3.85Å |
| 31 | C | 95.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 117.8 Ų | 117.8 | 45% | 0.453 | 69% | 0.693 | S | S | . | * | | | trans | -135 | 151.4 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | M36 | C31-M36 HydrophobicContact CB-CE 3.84Š|
| 32 | P | 97.8 | Very high | 95.1 | Very high | 104 Ų | 104 | 115.3 Ų | 115.3 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | | | trans | -62.4 | 145 | 169.7 | 29.1 | -34.5 | 0 | 0 | 0 | 110.1 | | |
| 33 | Q | 94.1 | Very high | 94.7 | Very high | 173 Ų | 173 | 119.3 Ų | 119.3 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -78.1 | -37.3 | 174.4 | -173.2 | -173.3 | -5.6 | 0 | 0 | 111.3 | G35 M36 | Q33-G35 PolarHBondContact O-N 2.78Å; Q33-M36 WeakPolarHBondContact O-CB 3.45Å; Q33-M36 PolarHBondContact O-N 3.41Å |
| 34 | D | 96.9 | Very high | 94.3 | Very high | 162 Ų | 162 | 116.1 Ų | 116.1 | 87% | 0.866 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 127.8 | -179.3 | -168.7 | 27.4 | 0 | 0 | 0 | 110.6 | M36 | D34-M36 VanDerWaalsContact C-N 3.33Š|
| 35 | G | 94.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.2 | 1.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q33 | Q33-G35 PolarHBondContact O-N 2.78Š|
| 36 | M | 95.1 | Very high | 91.9 | Very high | 128 Ų | 128 | 124.4 Ų | 124.4 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | | | trans | -86.5 | 126.3 | 171.9 | -180 | -176.3 | -74.9 | 0 | 0 | 110.5 | C31 Q33 D34 | C31-M36 HydrophobicContact CB-CE 3.84Å; Q33-M36 WeakPolarHBondContact O-CB 3.45Å; Q33-M36 PolarHBondContact O-N 3.41Å; D34-M36 VanDerWaalsContact C-N 3.33Å |
| 37 | E | 94.3 | Very high | 90.3 | Very high | 158 Ų | 158 | 129.1 Ų | 129.1 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | trans | -135.3 | 149.7 | 169.6 | 65.6 | -179.6 | 173.4 | 0 | 0 | 111.2 | I39 | E37-I39 HydrophobicContact CG-CG2 3.92Š|
| 38 | A | 90.7 | Very high | 88.3 | Confident | 108 Ų | 108 | 133.4 Ų | 133.4 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | | | trans | -78.2 | 123.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 39 | I | 91.7 | Very high | 85.8 | Confident | 112 Ų | 112 | 134.7 Ų | 134.7 | 57% | 0.574 | 76% | 0.756 | S | S | * | * | | | trans | -107.3 | 151.8 | 179 | 62.7 | 169 | 0 | 0 | 0 | 111.1 | E37 | E37-I39 HydrophobicContact CG-CG2 3.92Š|
| 40 | P | 90.4 | Very high | 85.2 | Confident | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -61 | 157.9 | 167.3 | 28.5 | -35.7 | 0 | 0 | 0 | 110.4 | P42 | P40-P42 VanDerWaalsContact O-CD 3.31Å; P40-P42 VanDerWaalsContact O-N 3.09Å; P40-P42 WeakPolarHBondContact O-CD 3.41Å |
| 41 | N | 90.8 | Very high | 84.7 | Confident | 89 Ų | 89 | 134.2 Ų | 134.2 | 48% | 0.476 | 76% | 0.76 | S | S | . | * | | | trans | -58.8 | 116.2 | 176.6 | 176.6 | -7.8 | 0 | 0 | 0 | 109.9 | F43 I44 | N41-F43 PolarHBondContact O-N 3.04Å; N41-F43 VanDerWaalsContact O-N 3.12Å; N41-F43 WeakPolarHBondContact OD1-CD2 3.36Å; N41-F43 PolarHBondContact OD1-N 3.35Å; N41-I44 HydrophobicContact CB-CD1 3.78Å; N41-I44 HydrophobicContact CB-CG1 3.89Å; N41-I44 PolarHBondContact O-N 3.18Å |
| 42 | P | 89.3 | Confident | 84 | Confident | 95 Ų | 95 | 137.9 Ų | 137.9 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -6.2 | -172.2 | 31.3 | -36.7 | 0 | 0 | 0 | 113.5 | P40 | P40-P42 VanDerWaalsContact O-CD 3.31Å; P40-P42 VanDerWaalsContact O-N 3.09Å; P40-P42 WeakPolarHBondContact O-CD 3.41Å |
| 43 | F | 88.6 | Confident | 83.2 | Confident | 180 Ų | 180 | 139.9 Ų | 139.9 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -4.3 | 179.6 | -55.6 | -73.2 | 0 | 0 | 0 | 113.4 | N41 Q45 | N41-F43 PolarHBondContact O-N 3.04Å; N41-F43 VanDerWaalsContact O-N 3.12Å; N41-F43 WeakPolarHBondContact OD1-CD2 3.36Å; N41-F43 PolarHBondContact OD1-N 3.35Å; F43-Q45 PolarHBondContact O-N 2.96Å; F43-Q45 VanDerWaalsContact O-N 3.14Å |
| 44 | I | 88.1 | Confident | 82.5 | Confident | 116 Ų | 116 | 137.9 Ų | 137.9 | 60% | 0.595 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -70.2 | 111.7 | 167.9 | -62.9 | 176.3 | 0 | 0 | 0 | 105.6 | N41 Q46 | N41-I44 HydrophobicContact CB-CD1 3.78Å; N41-I44 HydrophobicContact CB-CG1 3.89Å; N41-I44 PolarHBondContact O-N 3.18Å; I44-Q46 PolarHBondContact O-N 2.83Å |
| 45 | Q | 78.8 | Confident | 81.6 | Confident | 175 Ų | 175 | 136.3 Ų | 136.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -55.2 | 114.4 | 168.2 | -73.8 | 176.3 | -17 | 0 | 0 | 106.5 | F43 Q47 | F43-Q45 PolarHBondContact O-N 2.96Å; F43-Q45 VanDerWaalsContact O-N 3.14Å; Q45-Q47 VanDerWaalsContact C-N 3.28Å; Q45-Q47 PolarHBondContact O-N 3.18Å |
| 46 | Q | 68.1 | Low | 80.7 | Confident | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -55.2 | 103.8 | 164.2 | -102.6 | 145.7 | -27 | 0 | 0 | 105.3 | I44 D48 | I44-Q46 PolarHBondContact O-N 2.83Å; Q46-D48 VanDerWaalsContact C-N 3.29Å; Q46-D48 PolarHBondContact O-N 3.16Å |
| 47 | Q | 62.5 | Low | 79.6 | Confident | 184 Ų | 184 | 141.4 Ų | 141.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -60.5 | 105.9 | 165.7 | -78.9 | 173 | -6 | 0 | 0 | 104.3 | Q45 A49 | Q45-Q47 VanDerWaalsContact C-N 3.28Å; Q45-Q47 PolarHBondContact O-N 3.18Å; Q47-A49 PolarHBondContact O-N 3.33Å; Q47-A49 VanDerWaalsContact O-N 3.11Å |
| 48 | D | 55.8 | Low | 78.3 | Confident | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -48.5 | 118.9 | 172 | -69.1 | -54.2 | 0 | 0 | 0 | 107.5 | Q46 | Q46-D48 VanDerWaalsContact C-N 3.29Å; Q46-D48 PolarHBondContact O-N 3.16Å |
| 49 | A | 45.4 | Very low | 77.2 | Confident | 175 Ų | 175 | 142.9 Ų | 142.9 | 100% | 1.446 | 78% | 0.779 | S | S | * | * | | | trans | -73.4 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q47 | Q47-A49 PolarHBondContact O-N 3.33Å; Q47-A49 VanDerWaalsContact O-N 3.11Å |