| 1 | M | 67.1 | Low | 75.2 | Confident | 248 Ų | 248 | 126.5 Ų | 126.5 | 100% | 1.222 | 66% | 0.664 | S | S | * | * | | | | 0 | 122.8 | 0 | -69.9 | 176.5 | 167.9 | 0 | 0 | 107.8 | | |
| 2 | L | 74.5 | Confident | 75 | Confident | 181 Ų | 181 | 129.9 Ų | 129.9 | 95% | 0.948 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 127.2 | 178 | -84.7 | 150.6 | 0 | 0 | 0 | 109.1 | | |
| 3 | R | 81 | Confident | 75 | Confident | 226 Ų | 226 | 136.2 Ų | 136.2 | 85% | 0.853 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 132.9 | 175.2 | -165.3 | 176.8 | 179.5 | 173.8 | -0.5 | 108.3 | S5 | R3-S5 PolarHBondContact O-N 3.44Š|
| 4 | P | 78.4 | Confident | 74.8 | Confident | 84 Ų | 84 | 136.8 Ų | 136.8 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 138.9 | 174.6 | -21.7 | 31.8 | 0 | 0 | 0 | 110.1 | A8 | P4-A8 HydrophobicContact CB-CB 4.47Š|
| 5 | S | 79.1 | Confident | 74.5 | Confident | 75 Ų | 75 | 133.1 Ų | 133.1 | 52% | 0.524 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 150.4 | 172.2 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | R3 A7 A8 Q9 | R3-S5 PolarHBondContact O-N 3.44Å; S5-A7 PolarHBondContact O-N 3.33Å; S5-A8 WeakPolarHBondContact O-CA 3.41Å; S5-A8 WeakPolarHBondContact O-CB 3.36Å; S5-A8 PolarHBondContact O-N 2.81Å; S5-A8 PolarHBondContact OG-N 3.35Å; S5-Q9 PolarHBondContact O-N 3.07Å |
| 6 | L | 76.4 | Confident | 74.4 | Confident | 119 Ų | 119 | 131.8 Ų | 131.8 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -54.3 | -38.8 | 179 | -161.9 | 79.8 | 0 | 0 | 0 | 111.2 | A8 Q9 Y10 | L6-A8 VanDerWaalsContact C-N 3.27Å; L6-A8 PolarHBondContact O-N 3.18Å; L6-Q9 WeakPolarHBondContact O-CB 3.45Å; L6-Q9 PolarHBondContact O-N 3.08Å; L6-Q9 VanDerWaalsContact O-N 3.08Å; L6-Y10 HydrophobicContact CG-CE2 4.07Å; L6-Y10 VanDerWaalsContact O-CD2 3.23Å; L6-Y10 WeakPolarHBondContact O-CD2 3.23Å |
| 7 | A | 70.9 | Confident | 74.1 | Confident | 72 Ų | 72 | 133.4 Ų | 133.4 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.6 | -27.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S5 Q9 | S5-A7 PolarHBondContact O-N 3.33Å; A7-Q9 VanDerWaalsContact C-N 3.32Å |
| 8 | A | 71.2 | Confident | 73.7 | Confident | 69 Ų | 69 | 132.7 Ų | 132.7 | 57% | 0.57 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.2 | -15.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P4 S5 L6 | P4-A8 HydrophobicContact CB-CB 4.47Å; S5-A8 WeakPolarHBondContact O-CA 3.41Å; S5-A8 WeakPolarHBondContact O-CB 3.36Å; S5-A8 PolarHBondContact O-N 2.81Å; S5-A8 PolarHBondContact OG-N 3.35Å; L6-A8 VanDerWaalsContact C-N 3.27Å; L6-A8 PolarHBondContact O-N 3.18Å |
| 9 | Q | 76.5 | Confident | 73.3 | Confident | 119 Ų | 119 | 131.4 Ų | 131.4 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.3 | -26.4 | 176.6 | -64.5 | -175.4 | -37.8 | 0 | 0 | 112.7 | S5 L6 A7 | S5-Q9 PolarHBondContact O-N 3.07Å; L6-Q9 WeakPolarHBondContact O-CB 3.45Å; L6-Q9 PolarHBondContact O-N 3.08Å; L6-Q9 VanDerWaalsContact O-N 3.08Å; A7-Q9 VanDerWaalsContact C-N 3.32Å |
| 10 | Y | 75.8 | Confident | 72.7 | Confident | 135 Ų | 135 | 129 Ų | 129 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -91.7 | 124.7 | 179.4 | -64.8 | -77.7 | 0 | 0 | 0 | 110.6 | L6 K12 | L6-Y10 HydrophobicContact CG-CE2 4.07Å; L6-Y10 VanDerWaalsContact O-CD2 3.23Å; L6-Y10 WeakPolarHBondContact O-CD2 3.23Å; Y10-K12 PolarHBondContact O-N 2.86Å |
| 11 | D | 76.5 | Confident | 72.1 | Confident | 63 Ų | 63 | 129.6 Ų | 129.6 | 34% | 0.337 | 69% | 0.685 | S | S | . | * | | | trans | -59.1 | 121.9 | 171.6 | -171.6 | -26.7 | 0 | 0 | 0 | 108.8 | R13 L14 L15 | D11-R13 PolarHBondContact O-N 3.4Å; D11-R13 VanDerWaalsContact OD1-CB 3.3Å; D11-R13 WeakPolarHBondContact OD1-CB 3.3Å; D11-R13 WeakPolarHBondContact OD1-CG 3.42Å; D11-R13 IonicContact OD1-CZ 3.98Å; D11-R13 PolarHBondContact OD1-N 3.42Å; D11-R13 IonicContact OD1-NE 3.07Å; D11-R13 PolarHBondContact OD1-NE 3.11Å; D11-R13 VanDerWaalsContact OD1-NE 3.11Å; D11-R13 IonicContact OD1-NH2 3.92Å; D11-R13 IonicContact OD2-CZ 3.3Å; D11-R13 VanDerWaalsContact OD2-CZ 3.3Å; D11-R13 IonicContact OD2-NE 3.11Å; D11-R13 PolarHBondContact OD2-NE 3.05Å; D11-R13 VanDerWaalsContact OD2-NE 3.07Å; D11-R13 IonicContact OD2-NH2 2.81Å; D11-R13 PolarHBondContact OD2-NH2 2.89Å; D11-L14 HydrophobicContact CB-CD1 4.08Å; D11-L14 HydrophobicContact CB-CG 4.11Å; D11-L14 WeakPolarHBondContact O-CB 3.45Å; D11-L14 PolarHBondContact O-N 3.19Å; D11-L15 PolarHBondContact O-N 2.87Å |
| 12 | K | 72.9 | Confident | 71.9 | Confident | 168 Ų | 168 | 126.1 Ų | 126.1 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -22.3 | 179.6 | -65.3 | -177.9 | 179 | -179.8 | 0 | 113 | Y10 L14 L15 | Y10-K12 PolarHBondContact O-N 2.86Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L15 PolarHBondContact O-N 3.47Å |
| 13 | R | 74.9 | Confident | 71.4 | Confident | 212 Ų | 212 | 122.8 Ų | 122.8 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -23.4 | 174.5 | -65.7 | 174.8 | -79 | -173.2 | -2 | 113 | D11 | D11-R13 PolarHBondContact O-N 3.4Å; D11-R13 VanDerWaalsContact OD1-CB 3.3Å; D11-R13 WeakPolarHBondContact OD1-CB 3.3Å; D11-R13 WeakPolarHBondContact OD1-CG 3.42Å; D11-R13 IonicContact OD1-CZ 3.98Å; D11-R13 PolarHBondContact OD1-N 3.42Å; D11-R13 IonicContact OD1-NE 3.07Å; D11-R13 PolarHBondContact OD1-NE 3.11Å; D11-R13 VanDerWaalsContact OD1-NE 3.11Å; D11-R13 IonicContact OD1-NH2 3.92Å; D11-R13 IonicContact OD2-CZ 3.3Å; D11-R13 VanDerWaalsContact OD2-CZ 3.3Å; D11-R13 IonicContact OD2-NE 3.11Å; D11-R13 PolarHBondContact OD2-NE 3.05Å; D11-R13 VanDerWaalsContact OD2-NE 3.07Å; D11-R13 IonicContact OD2-NH2 2.81Å; D11-R13 PolarHBondContact OD2-NH2 2.89Å |
| 14 | L | 72.7 | Confident | 70.5 | Confident | 144 Ų | 144 | 117.4 Ų | 117.4 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -16.4 | 177 | -61 | 177.5 | 0 | 0 | 0 | 112.5 | D11 K12 | D11-L14 HydrophobicContact CB-CD1 4.08Å; D11-L14 HydrophobicContact CB-CG 4.11Å; D11-L14 WeakPolarHBondContact O-CB 3.45Å; D11-L14 PolarHBondContact O-N 3.19Å; K12-L14 VanDerWaalsContact C-N 3.29Å |
| 15 | L | 70 | Confident | 69.8 | Low | 82 Ų | 82 | 121.4 Ų | 121.4 | 43% | 0.429 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -73.7 | 127.4 | 177.2 | -64.5 | 178 | 0 | 0 | 0 | 109.1 | D11 K12 H17 | D11-L15 PolarHBondContact O-N 2.87Å; K12-L15 PolarHBondContact O-N 3.47Å; L15-H17 PolarHBondContact O-N 3.19Å |
| 16 | P | 72.4 | Confident | 69.1 | Low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | | | trans | -56 | 127.5 | 175.1 | 16.2 | -24.1 | 0 | 0 | 0 | 109.3 | C18 | P16-C18 PolarHBondContact O-N 3.02Š|
| 17 | H | 70.2 | Confident | 68.3 | Low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | | | trans | -62.2 | 107 | 176.2 | -83.3 | -21 | 0 | 0 | 0 | 109.7 | L15 S19 | L15-H17 PolarHBondContact O-N 3.19Å; H17-S19 PolarHBondContact O-N 2.95Å |
| 18 | C | 65.4 | Low | 67.8 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 24.3 | 170.5 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | P16 S20 | P16-C18 PolarHBondContact O-N 3.02Å; C18-S20 PolarHBondContact O-N 2.89Å |
| 19 | S | 66.1 | Low | 67.4 | Low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -10.1 | 171.5 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | H17 N21 | H17-S19 PolarHBondContact O-N 2.95Å; S19-N21 PolarHBondContact O-N 3.5Å |
| 20 | S | 61.5 | Low | 66.6 | Low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | | | trans | -78.3 | 64.7 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | C18 K22 | C18-S20 PolarHBondContact O-N 2.89Å; S20-K22 PolarHBondContact O-N 2.97Å |
| 21 | N | 61.3 | Low | 65.9 | Low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | | | trans | -73 | 58.7 | 152.1 | -79.5 | -13.9 | 0 | 0 | 0 | 108.5 | S19 V23 | S19-N21 PolarHBondContact O-N 3.5Å; N21-V23 PolarHBondContact O-N 3.46Å |
| 22 | K | 62.9 | Low | 65 | Low | 175 Ų | 175 | 139.9 Ų | 139.9 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | | | trans | -73.4 | 78.2 | 153.3 | -69.4 | -166.3 | -177 | -174.6 | 0 | 105.1 | S20 T24 | S20-K22 PolarHBondContact O-N 2.97Å; K22-T24 PolarHBondContact O-N 3.01Å |
| 23 | V | 64.1 | Low | 64.4 | Low | 110 Ų | 110 | 140.6 Ų | 140.6 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | | | trans | -63.1 | 85.3 | 154.8 | -179.6 | 0 | 0 | 0 | 0 | 103.6 | N21 K25 | N21-V23 PolarHBondContact O-N 3.46Å; V23-K25 HydrophobicContact CG1-CG 4.22Å; V23-K25 PolarHBondContact O-N 2.91Å |
| 24 | T | 61.3 | Low | 63.1 | Low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | | | trans | -62 | 96 | 163.8 | -51.6 | 0 | 0 | 0 | 0 | 103.1 | K22 M26 | K22-T24 PolarHBondContact O-N 3.01Å; T24-M26 PolarHBondContact O-N 3.08Å |
| 25 | K | 64.2 | Low | 62.4 | Low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | | | trans | -61.3 | 92.1 | 162.2 | -65.7 | -178.3 | -178 | -178.5 | 0 | 103.3 | V23 H27 | V23-K25 HydrophobicContact CG1-CG 4.22Å; V23-K25 PolarHBondContact O-N 2.91Å; K25-H27 PolarHBondContact O-N 3.42Å |
| 26 | M | 65.1 | Low | 61.5 | Low | 166 Ų | 166 | 143 Ų | 143 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -54.8 | 118.8 | 158.5 | -92.7 | -147.2 | 174 | 0 | 0 | 103.7 | T24 S28 | T24-M26 PolarHBondContact O-N 3.08Å; M26-S28 PolarHBondContact O-N 2.91Å |
| 27 | H | 59.6 | Low | 60.3 | Low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | -62.7 | 80.3 | 159.4 | -74 | -87 | 0 | 0 | 0 | 105 | K25 E29 | K25-H27 PolarHBondContact O-N 3.42Å; H27-E29 PolarHBondContact O-N 2.8Å |
| 28 | S | 60.4 | Low | 59.5 | Low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -60.5 | 105.2 | 156 | 56 | 0 | 0 | 0 | 0 | 102.9 | M26 | M26-S28 PolarHBondContact O-N 2.91Š|
| 29 | E | 62.3 | Low | 59 | Low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | -47.2 | 135.8 | 151.2 | -94.1 | -144.1 | 144 | 0 | 0 | 105.7 | H27 E31 | H27-E29 PolarHBondContact O-N 2.8Å; E29-E31 PolarHBondContact O-N 2.93Å |
| 30 | P | 60.1 | Low | 58.2 | Low | 104 Ų | 104 | 146.6 Ų | 146.6 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | trans | -61.6 | 94.8 | 170.7 | 26.1 | -30.5 | 0 | 0 | 0 | 105.5 | K32 | P30-K32 PolarHBondContact O-N 3.08Š|
| 31 | E | 60.1 | Low | 57.9 | Low | 140 Ų | 140 | 149.3 Ų | 149.3 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | | | trans | -53.9 | 100.3 | 160.4 | -85.4 | -168.1 | 156.6 | 0 | 0 | 103.4 | E29 Y33 | E29-E31 PolarHBondContact O-N 2.93Å; E31-Y33 HydrophobicContact CB-CD2 3.99Å; E31-Y33 HydrophobicContact CB-CE2 3.76Å; E31-Y33 WeakPolarHBondContact O-CD2 3.15Å; E31-Y33 PolarHBondContact O-N 3.06Å; E31-Y33 VanDerWaalsContact OE2-CE2 3.23Å; E31-Y33 WeakPolarHBondContact OE2-CE2 3.39Å; E31-Y33 PolarHBondContact OE2-OH 3.27Å |
| 32 | K | 58.4 | Low | 57.6 | Low | 179 Ų | 179 | 150.7 Ų | 150.7 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | | | trans | -66.6 | 81.7 | 167.7 | -70.8 | 176.1 | -178.4 | 172.9 | 0 | 103.9 | P30 R34 | P30-K32 PolarHBondContact O-N 3.08Å; K32-R34 PolarHBondContact O-N 2.9Å |
| 33 | Y | 58.8 | Low | 57.2 | Low | 183 Ų | 183 | 151.8 Ų | 151.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | trans | -53.2 | 90.1 | 149.3 | -74.2 | -90.5 | 0 | 0 | 0 | 104.2 | E31 L35 | E31-Y33 HydrophobicContact CB-CD2 3.99Å; E31-Y33 HydrophobicContact CB-CE2 3.76Å; E31-Y33 WeakPolarHBondContact O-CD2 3.15Å; E31-Y33 PolarHBondContact O-N 3.06Å; E31-Y33 VanDerWaalsContact OE2-CE2 3.23Å; E31-Y33 WeakPolarHBondContact OE2-CE2 3.39Å; E31-Y33 PolarHBondContact OE2-OH 3.27Å; Y33-L35 PolarHBondContact O-N 2.77Å |
| 34 | R | 47.5 | Very low | 56.9 | Low | 227 Ų | 227 | 150.9 Ų | 150.9 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | | | trans | -62.8 | 96.5 | 161.4 | -80.9 | -169 | 152.4 | 177.4 | -4.7 | 102.6 | K32 S36 | K32-R34 PolarHBondContact O-N 2.9Å; R34-S36 PolarHBondContact O-N 3.46Å |
| 35 | L | 58.1 | Low | 56.7 | Low | 160 Ų | 160 | 151.1 Ų | 151.1 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | trans | -55.5 | 88.7 | 158.2 | -70.2 | 168 | 0 | 0 | 0 | 104.5 | Y33 R37 | Y33-L35 PolarHBondContact O-N 2.77Å; L35-R37 PolarHBondContact O-N 3.13Å |
| 36 | S | 52.5 | Low | 56.6 | Low | 100 Ų | 100 | 149.4 Ų | 149.4 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | trans | -61.2 | 90.8 | 159.3 | 52.4 | 0 | 0 | 0 | 0 | 103.6 | R34 T38 | R34-S36 PolarHBondContact O-N 3.46Å; S36-T38 PolarHBondContact O-N 3.34Å |
| 37 | R | 47 | Very low | 56.4 | Low | 229 Ų | 229 | 146.7 Ų | 146.7 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | trans | -58.1 | 91.8 | 159.2 | -93.3 | -178.2 | 175.2 | 176.1 | -2.2 | 104.4 | L35 P39 | L35-R37 PolarHBondContact O-N 3.13Å; R37-P39 VanDerWaalsContact O-CD 3.23Å; R37-P39 WeakPolarHBondContact O-CD 3.26Å |
| 38 | T | 52.1 | Low | 56.4 | Low | 107 Ų | 107 | 139.8 Ų | 139.8 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | | | trans | -69.3 | 106.8 | 139.1 | 47.4 | 0 | 0 | 0 | 0 | 103.7 | S36 D40 | S36-T38 PolarHBondContact O-N 3.34Å; T38-D40 PolarHBondContact O-N 3.21Å |
| 39 | P | 55 | Low | 56.4 | Low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | | | trans | -76.6 | 59.7 | 173.3 | 35.6 | -33 | 0 | 0 | 0 | 107.7 | R37 | R37-P39 VanDerWaalsContact O-CD 3.23Å; R37-P39 WeakPolarHBondContact O-CD 3.26Å |
| 40 | D | 50.9 | Low | 56.4 | Low | 120 Ų | 120 | 135.2 Ų | 135.2 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | | | trans | -109.4 | 117.3 | 168.2 | -98.3 | -13.8 | 0 | 0 | 0 | 106.8 | T38 | T38-D40 PolarHBondContact O-N 3.21Š|
| 41 | E | 54.1 | Low | 56.5 | Low | 140 Ų | 140 | 136.7 Ų | 136.7 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 69.1 | 95.1 | 165 | -47.8 | -53.1 | 143.6 | 0 | 0 | 114.5 | Y43 | E41-Y43 WeakPolarHBondContact O-CD2 3.23Å; E41-Y43 PolarHBondContact O-N 3.47Å |
| 42 | N | 55.9 | Low | 56.7 | Low | 172 Ų | 172 | 135.7 Ų | 135.7 | 92% | 0.92 | 68% | 0.683 | S | S | * | * | | | trans | 6.8 | 53.3 | 132.1 | -96.2 | -15.2 | 0 | 0 | 0 | 117.9 | N44 | N42-N44 PolarHBondContact O-N 3.41Š|
| 43 | Y | 54.8 | Low | 56.9 | Low | 198 Ų | 198 | 133.6 Ų | 133.6 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | | | trans | -71 | 93.1 | 166.2 | -85 | -81.3 | 0 | 0 | 0 | 106.2 | E41 V45 | E41-Y43 WeakPolarHBondContact O-CD2 3.23Å; E41-Y43 PolarHBondContact O-N 3.47Å; Y43-V45 PolarHBondContact O-N 3.47Å |
| 44 | N | 55.9 | Low | 56.8 | Low | 92 Ų | 92 | 126.6 Ų | 126.6 | 49% | 0.492 | 66% | 0.659 | S | S | . | * | | | trans | -44.6 | 113.3 | 168.5 | -175 | 10.1 | 0 | 0 | 0 | 107.4 | N42 E46 N47 | N42-N44 PolarHBondContact O-N 3.41Å; N44-E46 PolarHBondContact ND2-OE2 3.24Å; N44-E46 PolarHBondContact O-N 2.8Å; N44-N47 PolarHBondContact O-N 2.77Å |
| 45 | V | 58.9 | Low | 57.5 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.715 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -53.5 | -25.8 | -175.1 | 177 | 0 | 0 | 0 | 0 | 111.2 | Y43 N47 G48 L49 | Y43-V45 PolarHBondContact O-N 3.47Å; V45-N47 PolarHBondContact O-N 3.49Å; V45-G48 PolarHBondContact O-N 2.88Å; V45-L49 PolarHBondContact O-N 2.95Å |
| 46 | E | 60.7 | Low | 57.5 | Low | 133 Ų | 133 | 121.7 Ų | 121.7 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.4 | -35.7 | 175.3 | -157.6 | 171.1 | -161 | 0 | 0 | 113.9 | N44 S50 | N44-E46 PolarHBondContact ND2-OE2 3.24Å; N44-E46 PolarHBondContact O-N 2.8Å; E46-S50 PolarHBondContact O-N 2.84Å; E46-S50 PolarHBondContact O-OG 2.98Å |
| 47 | N | 60.8 | Low | 57.6 | Low | 108 Ų | 108 | 127.9 Ų | 127.9 | 58% | 0.578 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.6 | -34.3 | 174.8 | -99.8 | 58.2 | 0 | 0 | 0 | 112 | N44 V45 L49 S50 N51 | N44-N47 PolarHBondContact O-N 2.77Å; V45-N47 PolarHBondContact O-N 3.49Å; N47-L49 VanDerWaalsContact C-N 3.34Å; N47-L49 PolarHBondContact O-N 3.02Å; N47-S50 PolarHBondContact O-N 2.99Å; N47-N51 PolarHBondContact O-N 2.67Å; N47-N51 VanDerWaalsContact O-N 3.13Å |
| 48 | G | 60.4 | Low | 58 | Low | 42 Ų | 42 | 124.8 Ų | 124.8 | 43% | 0.433 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -62.2 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V45 N51 I52 | V45-G48 PolarHBondContact O-N 2.88Å; G48-N51 PolarHBondContact O-N 2.95Å; G48-I52 PolarHBondContact O-N 2.61Å |
| 49 | L | 60 | Low | 58.2 | Low | 96 Ų | 96 | 132.3 Ų | 132.3 | 50% | 0.503 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -72 | -37.7 | 177.2 | -63 | 179.5 | 0 | 0 | 0 | 112 | V45 N47 N51 I52 F53 | V45-L49 PolarHBondContact O-N 2.95Å; N47-L49 VanDerWaalsContact C-N 3.34Å; N47-L49 PolarHBondContact O-N 3.02Å; L49-N51 PolarHBondContact O-N 2.73Å; L49-I52 HydrophobicContact CD2-CD1 4.47Å; L49-I52 PolarHBondContact O-N 3.45Å; L49-F53 VanDerWaalsContact O-CD2 3.26Å; L49-F53 WeakPolarHBondContact O-CD2 3.15Å; L49-F53 PolarHBondContact O-N 2.79Å; L49-F53 VanDerWaalsContact O-N 3.08Å |
| 50 | S | 62 | Low | 58.4 | Low | 72 Ų | 72 | 133 Ų | 133 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -60.8 | -31 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | E46 N47 G54 | E46-S50 PolarHBondContact O-N 2.84Å; E46-S50 PolarHBondContact O-OG 2.98Å; N47-S50 PolarHBondContact O-N 2.99Å; S50-G54 WeakPolarHBondContact O-CA 3.43Å; S50-G54 PolarHBondContact O-N 2.72Å |
| 51 | N | 63.2 | Low | 58.8 | Low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.1 | -38.1 | 172.5 | -108.5 | 20.8 | 0 | 0 | 0 | 113.1 | N47 G48 L49 | N47-N51 PolarHBondContact O-N 2.67Å; N47-N51 VanDerWaalsContact O-N 3.13Å; G48-N51 PolarHBondContact O-N 2.95Å; L49-N51 PolarHBondContact O-N 2.73Å |
| 52 | I | 63.2 | Low | 59 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 61% | 0.605 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.3 | -38.5 | -178.4 | -63.4 | 170.3 | 0 | 0 | 0 | 110.9 | G48 L49 | G48-I52 PolarHBondContact O-N 2.61Å; L49-I52 HydrophobicContact CD2-CD1 4.47Å; L49-I52 PolarHBondContact O-N 3.45Å |
| 53 | F | 63 | Low | 59.2 | Low | 135 Ų | 135 | 131 Ų | 131 | 59% | 0.592 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -99.5 | -9.6 | -177.1 | -61.3 | -71.7 | 0 | 0 | 0 | 113.8 | L49 D55 L56 | L49-F53 VanDerWaalsContact O-CD2 3.26Å; L49-F53 WeakPolarHBondContact O-CD2 3.15Å; L49-F53 PolarHBondContact O-N 2.79Å; L49-F53 VanDerWaalsContact O-N 3.08Å; F53-D55 VanDerWaalsContact C-N 3.31Å; F53-D55 PolarHBondContact O-N 2.73Å; F53-L56 WeakPolarHBondContact O-CB 3.23Å; F53-L56 PolarHBondContact O-N 2.73Å; F53-L56 VanDerWaalsContact O-N 3.08Å |
| 54 | G | 56.8 | Low | 59.5 | Low | 37 Ų | 37 | 126.8 Ų | 126.8 | 38% | 0.381 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.9 | -32.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S50 L56 | S50-G54 WeakPolarHBondContact O-CA 3.43Å; S50-G54 PolarHBondContact O-N 2.72Å; G54-L56 PolarHBondContact O-N 2.71Å |
| 55 | D | 62 | Low | 59.7 | Low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -9.3 | 175.4 | -71.2 | -15.3 | 0 | 0 | 0 | 112.7 | F53 R57 | F53-D55 VanDerWaalsContact C-N 3.31Å; F53-D55 PolarHBondContact O-N 2.73Å; D55-R57 PolarHBondContact O-N 2.84Å |
| 56 | L | 58.2 | Low | 59.8 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | | | trans | -82.8 | 44.7 | 170.8 | -132.4 | 88.2 | 0 | 0 | 0 | 110.7 | F53 G54 L58 | F53-L56 WeakPolarHBondContact O-CB 3.23Å; F53-L56 PolarHBondContact O-N 2.73Å; F53-L56 VanDerWaalsContact O-N 3.08Å; G54-L56 PolarHBondContact O-N 2.71Å; L56-L58 VanDerWaalsContact C-N 3.27Å; L56-L58 PolarHBondContact O-N 2.78Å |
| 57 | R | 54.5 | Low | 59.7 | Low | 230 Ų | 230 | 129.7 Ų | 129.7 | 87% | 0.868 | 68% | 0.676 | S | S | * | * | | | trans | -69.3 | 95.5 | 161.8 | -79.1 | -178.1 | 170.5 | -172.4 | -2.2 | 107.2 | D55 E59 | D55-R57 PolarHBondContact O-N 2.84Å; R57-E59 PolarHBondContact O-N 2.82Å |
| 58 | L | 55 | Low | 59.6 | Low | 165 Ų | 165 | 131.5 Ų | 131.5 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | | | trans | -50.5 | 100.4 | 158.1 | -78 | 144.3 | 0 | 0 | 0 | 108.3 | L56 | L56-L58 VanDerWaalsContact C-N 3.27Å; L56-L58 PolarHBondContact O-N 2.78Å |
| 59 | E | 57.2 | Low | 59.5 | Low | 264 Ų | 264 | 139.6 Ų | 139.6 | 100% | 1.234 | 71% | 0.707 | S | S | * | * | | | trans | -80.4 | 0 | 152.9 | -120.1 | -179.8 | -177.9 | 0 | 0 | 109.6 | R57 | R57-E59 PolarHBondContact O-N 2.82Š|