| 1 | A | 40.7 | Very low | 43.8 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 100% | 1.264 | 88% | 0.875 | S | S | * | * | | | | 0 | 155.5 | 0 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 2 | A | 39.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 92% | 0.917 | 88% | 0.875 | S | S | * | * | | | trans | 61.4 | 146.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 3 | A | 43.5 | Very low | 44.1 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 86% | 0.859 | S | S | * | * | | | trans | -145.9 | 147.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | S | 42.3 | Very low | 43.8 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 86% | 0.857 | S | S | * | * | | | trans | -138.5 | 99.8 | 169.9 | -66.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 5 | L | 45.9 | Very low | 44 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | | | | 86 | 89.1 | 90.8 | -80.5 | 164.5 | 0 | 0 | 0 | 111.9 | | |
| 6 | S | 39.5 | Very low | 44.5 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | | | trans | -74.9 | 138.8 | 164.9 | -176.7 | 0 | 0 | 0 | 0 | 110 | | |
| 7 | A | 45.9 | Very low | 45.1 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | | | trans | -92.5 | 126.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 8 | S | 38.8 | Very low | 45.6 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | | | trans | -157.3 | 122.1 | 159.6 | -90.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 9 | A | 48.6 | Very low | 45.8 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | | | trans | -100.1 | 148.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 10 | P | 47.9 | Very low | 45.9 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | | | trans | -110.4 | 150 | 148.8 | 34.4 | -27.6 | 0 | 0 | 0 | 111.1 | | |
| 11 | L | 48.5 | Very low | 46.1 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | | | trans | -79 | 141.7 | 169.8 | -67 | 152.4 | 0 | 0 | 0 | 109.3 | | |
| 12 | E | 42.2 | Very low | 46.8 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | trans | -140.9 | 142.9 | 165.8 | -112.4 | -58.5 | 152.8 | 0 | 0 | 109.9 | | |
| 13 | G | 50 | Low | 47.5 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | | | trans | -110 | 83.7 | -158 | 0 | 0 | 0 | 0 | 0 | 114.2 | L15 | G13-L15 PolarHBondContact O-N 3.31Š|
| 14 | G | 40.4 | Very low | 48 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -77.9 | 107.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 15 | L | 46.8 | Very low | 48.6 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | -65.5 | 138.9 | 169.3 | -69.8 | 172.4 | 0 | 0 | 0 | 111.3 | G13 V17 | G13-L15 PolarHBondContact O-N 3.31Å; L15-V17 PolarHBondContact O-N 3.19Å |
| 16 | P | 51 | Low | 49 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | | | trans | -72.6 | 113.5 | 177.8 | 28.9 | -33.5 | 0 | 0 | 0 | 111.1 | | |
| 17 | V | 55.3 | Low | 50 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 124 | 170.6 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | L15 | L15-V17 PolarHBondContact O-N 3.19Š|
| 18 | P | 53.4 | Low | 50.7 | Low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 136 | 179.3 | 27 | -33.9 | 0 | 0 | 0 | 110.1 | L20 | P18-L20 PolarHBondContact O-N 3.17Å; P18-L20 VanDerWaalsContact O-N 3.1Å |
| 19 | P | 49.9 | Very low | 52 | Low | 121 Ų | 121 | 147.5 Ų | 147.5 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117 | 177.9 | 26.3 | -33.3 | 0 | 0 | 0 | 109.4 | L21 | P19-L21 PolarHBondContact O-N 3.21Å; P19-L21 VanDerWaalsContact O-N 3.09Å |
| 20 | L | 47.3 | Very low | 53.3 | Low | 168 Ų | 168 | 148.3 Ų | 148.3 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 119.4 | 174.5 | -69.5 | 176.4 | 0 | 0 | 0 | 109 | P18 L22 | P18-L20 PolarHBondContact O-N 3.17Å; P18-L20 VanDerWaalsContact O-N 3.1Å; L20-L22 PolarHBondContact O-N 3.15Å |
| 21 | L | 51.6 | Low | 54.3 | Low | 170 Ų | 170 | 150.8 Ų | 150.8 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -57.2 | 103.7 | 179.3 | -73 | 170 | 0 | 0 | 0 | 109.5 | P19 R23 | P19-L21 PolarHBondContact O-N 3.21Å; P19-L21 VanDerWaalsContact O-N 3.09Å; L21-R23 PolarHBondContact O-N 3.22Å |
| 22 | L | 53.9 | Low | 55.6 | Low | 166 Ų | 166 | 150.9 Ų | 150.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | -68.3 | 78.5 | 175.1 | -176.7 | 67.3 | 0 | 0 | 0 | 108.7 | L20 P24 | L20-L22 PolarHBondContact O-N 3.15Å; L22-P24 VanDerWaalsContact O-CD 3.27Å; L22-P24 WeakPolarHBondContact O-CD 3.27Å |
| 23 | R | 55.7 | Low | 57.2 | Low | 228 Ų | 228 | 149.4 Ų | 149.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -50.7 | 111.6 | -172.9 | -169.5 | 171.3 | 107.7 | 168.4 | 4.3 | 108.8 | L21 K25 | L21-R23 PolarHBondContact O-N 3.22Å; R23-K25 PolarHBondContact O-N 3.29Å; R23-K25 VanDerWaalsContact O-N 3.15Å |
| 24 | P | 53.7 | Low | 58.3 | Low | 118 Ų | 118 | 148.8 Ų | 148.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -52.4 | 124.4 | -167 | -32.3 | 36.7 | 0 | 0 | 0 | 111.6 | L22 G26 | L22-P24 VanDerWaalsContact O-CD 3.27Å; L22-P24 WeakPolarHBondContact O-CD 3.27Å; P24-G26 PolarHBondContact O-N 3.34Å |
| 25 | K | 53.3 | Low | 59.7 | Low | 201 Ų | 201 | 151.7 Ų | 151.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -56.7 | 104.1 | -176.7 | -171.7 | 85.6 | 172.3 | -169.5 | 0 | 108.1 | R23 R27 | R23-K25 PolarHBondContact O-N 3.29Å; R23-K25 VanDerWaalsContact O-N 3.15Å; K25-R27 PolarHBondContact O-N 3.39Å |
| 26 | G | 55.9 | Low | 61.4 | Low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | | | trans | -58.8 | 91.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P24 N28 | P24-G26 PolarHBondContact O-N 3.34Å; G26-N28 PolarHBondContact O-N 2.86Å |
| 27 | R | 60.4 | Low | 63 | Low | 230 Ų | 230 | 149 Ų | 149 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | | | trans | -77.5 | 86.3 | -166.9 | 179.5 | 172.1 | 154.8 | -178.2 | -8.4 | 110.6 | K25 | K25-R27 PolarHBondContact O-N 3.39Š|
| 28 | N | 59.6 | Low | 64.8 | Low | 139 Ų | 139 | 154.8 Ų | 154.8 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | 53.4 | 66.1 | 161.9 | -56.5 | -20.8 | 0 | 0 | 0 | 114.3 | G26 K30 | G26-N28 PolarHBondContact O-N 2.86Å; N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.08Å |
| 29 | R | 66.9 | Low | 66.5 | Low | 237 Ų | 237 | 156.4 Ų | 156.4 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | -60.9 | 94.2 | 154.7 | -74.2 | 179.6 | 65.4 | 169.6 | 0.1 | 107.7 | L31 | R29-L31 PolarHBondContact O-N 3.09Š|
| 30 | K | 74.9 | Confident | 68.7 | Low | 119 Ų | 119 | 157.9 Ų | 157.9 | 52% | 0.517 | 75% | 0.749 | S | S | . | * | | | trans | -56 | 122.3 | 169.7 | -70.1 | -176 | 166 | -166.2 | 0 | 107.8 | N28 W32 D34 | N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.08Å; K30-W32 VanDerWaalsContact C-N 3.26Å; K30-W32 CarbonylContact C-O 3.58Å; K30-W32 VanDerWaalsContact CB-O 3.28Å; K30-W32 WeakPolarHBondContact CB-O 3.27Å; K30-W32 PolarHBondContact O-N 2.87Å; K30-D34 VanDerWaalsContact CD-OD1 3.23Å; K30-D34 WeakPolarHBondContact CD-OD1 3.42Å; K30-D34 IonicContact NZ-OD1 3.73Å; K30-D34 PolarHBondContact NZ-OD1 3.1Å; K30-D34 IonicContact NZ-OD2 3.17Å; K30-D34 PolarHBondContact NZ-OD2 3.3Å |
| 31 | L | 70.1 | Confident | 70.8 | Confident | 177 Ų | 177 | 155.6 Ų | 155.6 | 93% | 0.927 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -73.2 | -24.2 | -178 | -129.2 | 74.4 | 0 | 0 | 0 | 112.4 | R29 | R29-L31 PolarHBondContact O-N 3.09Š|
| 32 | W | 74.9 | Confident | 72.8 | Confident | 179 Ų | 179 | 155.3 Ų | 155.3 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -95.5 | 138.4 | 166.7 | 58.7 | -62.9 | 0 | 0 | 0 | 108.6 | K30 | K30-W32 VanDerWaalsContact C-N 3.26Å; K30-W32 CarbonylContact C-O 3.58Å; K30-W32 VanDerWaalsContact CB-O 3.28Å; K30-W32 WeakPolarHBondContact CB-O 3.27Å; K30-W32 PolarHBondContact O-N 2.87Å |
| 33 | K | 76.9 | Confident | 74.8 | Confident | 156 Ų | 156 | 152.8 Ų | 152.8 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | | | trans | -75.1 | 144 | 164.3 | -74.2 | -157.2 | -179.4 | -172.8 | 0 | 109.3 | E35 | K33-E35 HydrophobicContact CB-CB 3.84Å; K33-E35 HydrophobicContact CD-CB 4.17Å; K33-E35 WeakPolarHBondContact CD-OE2 2.93Å; K33-E35 WeakPolarHBondContact CE-OE2 3.28Å; K33-E35 IonicContact NZ-OE2 2.72Å; K33-E35 PolarHBondContact NZ-OE2 2.99Å; K33-E35 PolarHBondContact O-N 3.28Å |
| 34 | D | 71.8 | Confident | 76.7 | Confident | 51 Ų | 51 | 148.4 Ų | 148.4 | 27% | 0.273 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -74.4 | 17.9 | 168.4 | -73 | 26.3 | 0 | 0 | 0 | 112.1 | K30 R37 | K30-D34 VanDerWaalsContact CD-OD1 3.23Å; K30-D34 WeakPolarHBondContact CD-OD1 3.42Å; K30-D34 IonicContact NZ-OD1 3.73Å; K30-D34 PolarHBondContact NZ-OD1 3.1Å; K30-D34 IonicContact NZ-OD2 3.17Å; K30-D34 PolarHBondContact NZ-OD2 3.3Å; D34-R37 IonicContact OD2-CZ 3.64Å; D34-R37 IonicContact OD2-NE 2.71Å; D34-R37 IonicContact OD2-NH2 3.78Å; D34-R37 PolarHBondContact OD2-NH2 2.71Å |
| 35 | E | 69.6 | Low | 78.6 | Confident | 142 Ų | 142 | 150.2 Ų | 150.2 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 109.6 | -173.8 | -169.9 | 164.8 | -143.3 | 0 | 0 | 107.1 | K33 | K33-E35 HydrophobicContact CB-CB 3.84Å; K33-E35 HydrophobicContact CD-CB 4.17Å; K33-E35 WeakPolarHBondContact CD-OE2 2.93Å; K33-E35 WeakPolarHBondContact CE-OE2 3.28Å; K33-E35 IonicContact NZ-OE2 2.72Å; K33-E35 PolarHBondContact NZ-OE2 2.99Å; K33-E35 PolarHBondContact O-N 3.28Å |
| 36 | G | 82.3 | Confident | 80.4 | Confident | 69 Ų | 69 | 147 Ų | 147 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.6 | 30.1 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 37 | R | 85.3 | Confident | 82.2 | Confident | 156 Ų | 156 | 148.9 Ų | 148.9 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | | | trans | -57.7 | 146.7 | 158.8 | -75.3 | 176.1 | -176.8 | -165.7 | 5.1 | 110 | D34 E39 | D34-R37 IonicContact OD2-CZ 3.64Å; D34-R37 IonicContact OD2-NE 2.71Å; D34-R37 IonicContact OD2-NH2 3.78Å; D34-R37 PolarHBondContact OD2-NH2 2.71Å; R37-E39 WeakPolarHBondContact CB-OE1 3.2Å; R37-E39 PolarHBondContact O-N 3.15Å; R37-E39 VanDerWaalsContact O-N 3.08Å |
| 38 | W | 92.6 | Very high | 83.9 | Confident | 250 Ų | 250 | 143.4 Ų | 143.4 | 95% | 0.947 | 65% | 0.654 | S | S | * | * | | | trans | -83.1 | 85.6 | -179.3 | -75.6 | 34.8 | 0 | 0 | 0 | 109.4 | | |
| 39 | E | 90 | Very high | 85.5 | Confident | 134 Ų | 134 | 139.8 Ų | 139.8 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | | | trans | -76 | 155.5 | 171.2 | -52.6 | -50.9 | 142.2 | 0 | 0 | 110.6 | R37 D41 | R37-E39 WeakPolarHBondContact CB-OE1 3.2Å; R37-E39 PolarHBondContact O-N 3.15Å; R37-E39 VanDerWaalsContact O-N 3.08Å; E39-D41 PolarHBondContact O-N 2.86Å |
| 40 | H | 95.1 | Very high | 86.8 | Confident | 152 Ų | 152 | 134 Ų | 134 | 70% | 0.704 | 64% | 0.637 | S | S | * | * | | | trans | -84.7 | 53.3 | 177.8 | -70.6 | -171.4 | 0 | 0 | 0 | 111.3 | K42 F43 | H40-K42 PolarHBondContact O-N 2.73Å; H40-K42 VanDerWaalsContact O-N 3.1Å; H40-F43 HydrophobicContact CB-CB 3.77Å; H40-F43 PolarHBondContact O-N 3.4Å |
| 41 | D | 91.9 | Very high | 87.8 | Confident | 119 Ų | 119 | 133.3 Ų | 133.3 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -32.8 | -170.2 | 72.6 | -30.9 | 0 | 0 | 0 | 115.4 | E39 | E39-D41 PolarHBondContact O-N 2.86Š|
| 42 | K | 94.6 | Very high | 89 | Confident | 164 Ų | 164 | 127.1 Ų | 127.1 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 8.9 | -177.8 | -70.1 | 153.4 | -172 | 128.8 | 0 | 113.3 | H40 | H40-K42 PolarHBondContact O-N 2.73Å; H40-K42 VanDerWaalsContact O-N 3.1Å |
| 43 | F | 94.6 | Very high | 90 | Very high | 113 Ų | 113 | 124.9 Ų | 124.9 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | | | trans | -80.7 | 127.9 | 175.3 | -176.7 | -88.2 | 0 | 0 | 0 | 110 | H40 E45 Q48 | H40-F43 HydrophobicContact CB-CB 3.77Å; H40-F43 PolarHBondContact O-N 3.4Å; F43-E45 HydrophobicContact CE1-CB 4.04Å; F43-Q48 HydrophobicContact CD2-CG 3.98Å; F43-Q48 HydrophobicContact CE2-CB 4.5Å; F43-Q48 HydrophobicContact CE2-CG 3.48Å; F43-Q48 VanDerWaalsContact CE2-CG 3.48Å; F43-Q48 HydrophobicContact CZ-CG 3.93Å |
| 44 | R | 95.5 | Very high | 90.9 | Very high | 136 Ų | 136 | 122.6 Ų | 122.6 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | | | trans | -132.7 | 118 | 174.6 | -83.1 | 176.7 | -177.9 | 175 | -1.9 | 107.4 | E46 E47 Q48 | R44-E46 VanDerWaalsContact C-N 3.26Å; R44-E46 VanDerWaalsContact C-OE2 3.3Å; R44-E46 WeakPolarHBondContact CA-OE2 3.49Å; R44-E46 WeakPolarHBondContact CB-OE2 3.47Å; R44-E46 WeakPolarHBondContact CD-OE1 3.42Å; R44-E46 WeakPolarHBondContact CG-OE1 3.37Å; R44-E46 PolarHBondContact O-N 3.12Å; R44-E47 HydrophobicContact CB-CB 3.95Å; R44-E47 HydrophobicContact CB-CG 3.95Å; R44-E47 VanDerWaalsContact CD-CD 3.47Å; R44-E47 WeakPolarHBondContact CD-OE1 3.45Å; R44-E47 IonicContact CZ-OE1 3.8Å; R44-E47 IonicContact NE-OE1 2.71Å; R44-E47 IonicContact NH1-OE1 3.3Å; R44-E47 PolarHBondContact NH1-OE1 3.16Å; R44-E47 PolarHBondContact O-N 3.18Å; R44-Q48 WeakPolarHBondContact O-CG 3.05Å; R44-Q48 PolarHBondContact O-N 3.33Å; R44-Q48 VanDerWaalsContact O-N 3.11Å; R44-Q48 PolarHBondContact O-NE2 3.4Å |
| 45 | E | 94.9 | Very high | 92 | Very high | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -35.9 | -173.5 | -173.3 | 162.2 | -133.6 | 0 | 0 | 111 | F43 Q48 A49 | F43-E45 HydrophobicContact CE1-CB 4.04Å; E45-Q48 PolarHBondContact O-N 2.95Å; E45-A49 PolarHBondContact O-N 3.15Å |
| 46 | E | 89.6 | Confident | 93.2 | Very high | 133 Ų | 133 | 118.4 Ų | 118.4 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -37.9 | 173.9 | 72.2 | -77.2 | -165.5 | 0 | 0 | 112.9 | R44 A49 | R44-E46 VanDerWaalsContact C-N 3.26Å; R44-E46 VanDerWaalsContact C-OE2 3.3Å; R44-E46 WeakPolarHBondContact CA-OE2 3.49Å; R44-E46 WeakPolarHBondContact CB-OE2 3.47Å; R44-E46 WeakPolarHBondContact CD-OE1 3.42Å; R44-E46 WeakPolarHBondContact CG-OE1 3.37Å; R44-E46 PolarHBondContact O-N 3.12Å; E46-A49 WeakPolarHBondContact O-CB 3.23Å |
| 47 | E | 93.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 118 Ų | 118 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.3 | 176.5 | -65.5 | -177.4 | -162.7 | 0 | 0 | 113.1 | R44 A49 | R44-E47 HydrophobicContact CB-CB 3.95Å; R44-E47 HydrophobicContact CB-CG 3.95Å; R44-E47 VanDerWaalsContact CD-CD 3.47Å; R44-E47 WeakPolarHBondContact CD-OE1 3.45Å; R44-E47 IonicContact CZ-OE1 3.8Å; R44-E47 IonicContact NE-OE1 2.71Å; R44-E47 IonicContact NH1-OE1 3.3Å; R44-E47 PolarHBondContact NH1-OE1 3.16Å; R44-E47 PolarHBondContact O-N 3.18Å; E47-A49 VanDerWaalsContact C-N 3.34Å |
| 48 | Q | 95.9 | Very high | 94.4 | Very high | 115 Ų | 115 | 114.7 Ų | 114.7 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -2.1 | 174.2 | -61.8 | -30.6 | -86.3 | 0 | 0 | 113.1 | F43 R44 E45 | F43-Q48 HydrophobicContact CD2-CG 3.98Å; F43-Q48 HydrophobicContact CE2-CB 4.5Å; F43-Q48 HydrophobicContact CE2-CG 3.48Å; F43-Q48 VanDerWaalsContact CE2-CG 3.48Å; F43-Q48 HydrophobicContact CZ-CG 3.93Å; R44-Q48 WeakPolarHBondContact O-CG 3.05Å; R44-Q48 PolarHBondContact O-N 3.33Å; R44-Q48 VanDerWaalsContact O-N 3.11Å; R44-Q48 PolarHBondContact O-NE2 3.4Å; E45-Q48 PolarHBondContact O-N 2.95Å |
| 49 | A | 94.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 107.1 Ų | 107.1 | 51% | 0.512 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -59.3 | 138.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E45 E46 E47 K51 | E45-A49 PolarHBondContact O-N 3.15Å; E46-A49 WeakPolarHBondContact O-CB 3.23Å; E47-A49 VanDerWaalsContact C-N 3.34Å; A49-K51 PolarHBondContact O-N 3.1Å |
| 50 | P | 95.1 | Very high | 94.7 | Very high | 117 Ų | 117 | 106.4 Ų | 106.4 | 76% | 0.76 | 52% | 0.523 | S | S | * | . | | | trans | -59.2 | 134.6 | 168.8 | -21.4 | 32.8 | 0 | 0 | 0 | 110.2 | | |
| 51 | K | 96.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 102 Ų | 102 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | | | trans | -38.8 | 137.1 | -178.5 | -68.2 | -165.2 | 174.8 | -167.6 | 0 | 113.6 | A49 E55 L56 I59 R65 | A49-K51 PolarHBondContact O-N 3.1Å; K51-E55 WeakPolarHBondContact CA-OE2 3.38Å; K51-E55 HydrophobicContact CB-CB 4.4Å; K51-E55 WeakPolarHBondContact CB-OE2 3.44Å; K51-E55 WeakPolarHBondContact CG-OE2 3.34Å; K51-L56 HydrophobicContact CB-CD2 3.95Å; K51-L56 HydrophobicContact CB-CG 4.1Å; K51-L56 HydrophobicContact CD-CD2 4Å; K51-I59 HydrophobicContact CD-CD1 4.43Å; K51-R65 PolarHBondContact O-NH1 3.31Å |
| 52 | S | 95.3 | Very high | 94.6 | Very high | 47 Ų | 47 | 102.9 Ų | 102.9 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | | | trans | -62.2 | 159.6 | 179.9 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | E54 E55 L56 | S52-E54 PolarHBondContact O-N 2.86Å; S52-E55 PolarHBondContact N-OE2 3.14Å; S52-E55 VanDerWaalsContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 3.09Å; S52-E55 WeakPolarHBondContact OG-CB 3.22Å; S52-E55 VanDerWaalsContact OG-CG 3.27Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.06Å; S52-L56 WeakPolarHBondContact O-CG 3.29Å; S52-L56 PolarHBondContact O-N 3.14Å |
| 53 | R | 94.5 | Very high | 94.6 | Very high | 132 Ų | 132 | 95.7 Ų | 95.7 | 50% | 0.498 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 175.4 | 168.6 | 172.2 | 168.2 | -75.8 | 0.4 | 110.7 | L56 I57 D63 | R53-L56 PolarHBondContact O-N 3.42Å; R53-I57 HydrophobicContact CG-CD1 3.71Å; R53-I57 HydrophobicContact CG-CG1 4.46Å; R53-I57 WeakPolarHBondContact O-CB 3.48Å; R53-I57 WeakPolarHBondContact O-CD1 3.27Å; R53-I57 WeakPolarHBondContact O-CG1 3.25Å; R53-I57 PolarHBondContact O-N 2.85Å; R53-D63 HydrophobicContact CG-CB 4.3Å; R53-D63 WeakPolarHBondContact CG-OD2 3.38Å |
| 54 | E | 95.5 | Very high | 94.4 | Very high | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.3 | -41.1 | -178 | -64.5 | 56 | -123.8 | 0 | 0 | 109.8 | S52 A58 | S52-E54 PolarHBondContact O-N 2.86Å; E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.23Å; E54-A58 PolarHBondContact O-N 3.13Å |
| 55 | E | 95.7 | Very high | 94.1 | Very high | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 168.8 | -79.4 | 173.6 | 176.9 | 0 | 0 | 112.9 | K51 S52 A58 I59 | K51-E55 WeakPolarHBondContact CA-OE2 3.38Å; K51-E55 HydrophobicContact CB-CB 4.4Å; K51-E55 WeakPolarHBondContact CB-OE2 3.44Å; K51-E55 WeakPolarHBondContact CG-OE2 3.34Å; S52-E55 PolarHBondContact N-OE2 3.14Å; S52-E55 VanDerWaalsContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 3.09Å; S52-E55 WeakPolarHBondContact OG-CB 3.22Å; S52-E55 VanDerWaalsContact OG-CG 3.27Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.06Å; E55-A58 PolarHBondContact O-N 3.14Å; E55-I59 WeakPolarHBondContact O-CB 3.46Å; E55-I59 VanDerWaalsContact O-CG1 3.23Å; E55-I59 WeakPolarHBondContact O-CG1 3.23Å; E55-I59 PolarHBondContact O-N 3.07Å |
| 56 | L | 95.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 91.3 Ų | 91.3 | 6% | 0.058 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 179.1 | -66.8 | -179.9 | 0 | 0 | 0 | 111.3 | K51 S52 R53 I59 Y60 D63 I64 R65 | K51-L56 HydrophobicContact CB-CD2 3.95Å; K51-L56 HydrophobicContact CB-CG 4.1Å; K51-L56 HydrophobicContact CD-CD2 4Å; S52-L56 WeakPolarHBondContact O-CG 3.29Å; S52-L56 PolarHBondContact O-N 3.14Å; R53-L56 PolarHBondContact O-N 3.42Å; L56-I59 PolarHBondContact O-N 2.87Å; L56-Y60 HydrophobicContact CD2-CD2 4.2Å; L56-Y60 HydrophobicContact CD2-CE2 4Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 WeakPolarHBondContact O-CD2 3.36Å; L56-Y60 PolarHBondContact O-N 2.91Å; L56-D63 WeakPolarHBondContact CD1-OD1 3.48Å; L56-I64 HydrophobicContact CD1-CG1 3.99Å; L56-I64 HydrophobicContact CD2-CD1 4.07Å; L56-I64 HydrophobicContact CD2-CG1 4.11Å; L56-R65 HydrophobicContact CD1-CG 4.18Å; L56-R65 VanDerWaalsContact CD1-CZ 3.42Å |
| 57 | I | 94.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 87.7 Ų | 87.7 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 173.2 | -68 | 166.3 | 0 | 0 | 0 | 111.1 | R53 G61 D63 | R53-I57 HydrophobicContact CG-CD1 3.71Å; R53-I57 HydrophobicContact CG-CG1 4.46Å; R53-I57 WeakPolarHBondContact O-CB 3.48Å; R53-I57 WeakPolarHBondContact O-CD1 3.27Å; R53-I57 WeakPolarHBondContact O-CG1 3.25Å; R53-I57 PolarHBondContact O-N 2.85Å; I57-G61 WeakPolarHBondContact O-CA 3.38Å; I57-G61 PolarHBondContact O-N 2.76Å; I57-D63 HydrophobicContact CG1-CB 4.49Å |
| 58 | A | 96.7 | Very high | 90.5 | Very high | 86 Ų | 86 | 86.1 Ų | 86.1 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.4 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E54 E55 | E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.23Å; E54-A58 PolarHBondContact O-N 3.13Å; E55-A58 PolarHBondContact O-N 3.14Å |
| 59 | I | 95.7 | Very high | 88.6 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -84 | -37.4 | -178.7 | -65.1 | 166.6 | 0 | 0 | 0 | 112.2 | K51 E55 L56 | K51-I59 HydrophobicContact CD-CD1 4.43Å; E55-I59 WeakPolarHBondContact O-CB 3.46Å; E55-I59 VanDerWaalsContact O-CG1 3.23Å; E55-I59 WeakPolarHBondContact O-CG1 3.23Å; E55-I59 PolarHBondContact O-N 3.07Å; L56-I59 PolarHBondContact O-N 2.87Å |
| 60 | Y | 93.8 | Very high | 86.7 | Confident | 118 Ų | 118 | 86.3 Ų | 86.3 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -117.2 | -7.5 | -170.8 | -60 | -72.2 | 0 | 0 | 0 | 114.6 | L56 Y62 I64 | L56-Y60 HydrophobicContact CD2-CD2 4.2Å; L56-Y60 HydrophobicContact CD2-CE2 4Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 WeakPolarHBondContact O-CD2 3.36Å; L56-Y60 PolarHBondContact O-N 2.91Å; Y60-Y62 WeakPolarHBondContact O-CD1 3.23Å; Y60-Y62 VanDerWaalsContact O-CE1 3.28Å; Y60-Y62 WeakPolarHBondContact O-CE1 3.42Å; Y60-Y62 PolarHBondContact O-N 3.2Å; Y60-I64 HydrophobicContact CD1-CG2 4.4Å; Y60-I64 HydrophobicContact CD2-CD1 4.29Å; Y60-I64 HydrophobicContact CD2-CG2 3.79Å; Y60-I64 HydrophobicContact CE2-CD1 3.94Å; Y60-I64 HydrophobicContact CE2-CG2 4.4Å; Y60-I64 HydrophobicContact CG-CG2 3.79Å |
| 61 | G | 94.3 | Very high | 84.6 | Confident | 61 Ų | 61 | 83.1 Ų | 83.1 | 63% | 0.629 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 79.4 | -10.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I57 | I57-G61 WeakPolarHBondContact O-CA 3.38Å; I57-G61 PolarHBondContact O-N 2.76Å |
| 62 | Y | 91.3 | Very high | 82.5 | Confident | 137 Ų | 137 | 85.2 Ų | 85.2 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -154.9 | 159 | -179.6 | 61.2 | -82.5 | 0 | 0 | 0 | 111.5 | Y60 I64 | Y60-Y62 WeakPolarHBondContact O-CD1 3.23Å; Y60-Y62 VanDerWaalsContact O-CE1 3.28Å; Y60-Y62 WeakPolarHBondContact O-CE1 3.42Å; Y60-Y62 PolarHBondContact O-N 3.2Å; Y62-I64 HydrophobicContact CD2-CG2 4.25Å; Y62-I64 HydrophobicContact CE2-CB 4.48Å; Y62-I64 HydrophobicContact CE2-CG2 3.75Å; Y62-I64 PolarHBondContact O-N 2.87Å; Y62-I64 VanDerWaalsContact O-N 3.16Å |
| 63 | D | 93.4 | Very high | 80.6 | Confident | 13 Ų | 13 | 86 Ų | 86 | 7% | 0.07 | 53% | 0.532 | C | S | . | . | | | trans | -74.8 | 106.7 | 172.8 | -165.3 | -31 | 0 | 0 | 0 | 110.2 | R53 L56 I57 R65 N66 G67 | R53-D63 HydrophobicContact CG-CB 4.3Å; R53-D63 WeakPolarHBondContact CG-OD2 3.38Å; L56-D63 WeakPolarHBondContact CD1-OD1 3.48Å; I57-D63 HydrophobicContact CG1-CB 4.49Å; D63-R65 PolarHBondContact O-N 3.5Å; D63-R65 VanDerWaalsContact O-N 3.12Å; D63-R65 WeakPolarHBondContact OD1-CB 3.2Å; D63-R65 WeakPolarHBondContact OD1-CG 3.2Å; D63-R65 IonicContact OD1-CZ 3.62Å; D63-R65 PolarHBondContact OD1-N 3.47Å; D63-R65 IonicContact OD1-NE 2.74Å; D63-R65 PolarHBondContact OD1-NE 2.98Å; D63-R65 IonicContact OD1-NH2 3.67Å; D63-R65 IonicContact OD2-CZ 3.36Å; D63-R65 IonicContact OD2-NE 2.6Å; D63-R65 PolarHBondContact OD2-NE 2.92Å; D63-R65 IonicContact OD2-NH2 3.18Å; D63-R65 PolarHBondContact OD2-NH2 3.12Å; D63-N66 HydrophobicContact CB-CB 4.42Å; D63-N66 PolarHBondContact O-N 3Å; D63-G67 PolarHBondContact O-N 3.46Å |
| 64 | I | 90.8 | Very high | 78.4 | Confident | 78 Ų | 78 | 85.8 Ų | 85.8 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.3 | 179.2 | 58.9 | 168.8 | 0 | 0 | 0 | 113.5 | L56 Y60 Y62 N66 | L56-I64 HydrophobicContact CD1-CG1 3.99Å; L56-I64 HydrophobicContact CD2-CD1 4.07Å; L56-I64 HydrophobicContact CD2-CG1 4.11Å; Y60-I64 HydrophobicContact CD1-CG2 4.4Å; Y60-I64 HydrophobicContact CD2-CD1 4.29Å; Y60-I64 HydrophobicContact CD2-CG2 3.79Å; Y60-I64 HydrophobicContact CE2-CD1 3.94Å; Y60-I64 HydrophobicContact CE2-CG2 4.4Å; Y60-I64 HydrophobicContact CG-CG2 3.79Å; Y62-I64 HydrophobicContact CD2-CG2 4.25Å; Y62-I64 HydrophobicContact CE2-CB 4.48Å; Y62-I64 HydrophobicContact CE2-CG2 3.75Å; Y62-I64 PolarHBondContact O-N 2.87Å; Y62-I64 VanDerWaalsContact O-N 3.16Å; I64-N66 VanDerWaalsContact C-N 3.31Å |
| 65 | R | 89.4 | Confident | 76.1 | Confident | 134 Ų | 134 | 90.1 Ų | 90.1 | 51% | 0.506 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -27.7 | 172.8 | -58.3 | 173.1 | -72.9 | -142.2 | -0.2 | 111.9 | K51 L56 D63 | K51-R65 PolarHBondContact O-NH1 3.31Å; L56-R65 HydrophobicContact CD1-CG 4.18Å; L56-R65 VanDerWaalsContact CD1-CZ 3.42Å; D63-R65 PolarHBondContact O-N 3.5Å; D63-R65 VanDerWaalsContact O-N 3.12Å; D63-R65 WeakPolarHBondContact OD1-CB 3.2Å; D63-R65 WeakPolarHBondContact OD1-CG 3.2Å; D63-R65 IonicContact OD1-CZ 3.62Å; D63-R65 PolarHBondContact OD1-N 3.47Å; D63-R65 IonicContact OD1-NE 2.74Å; D63-R65 PolarHBondContact OD1-NE 2.98Å; D63-R65 IonicContact OD1-NH2 3.67Å; D63-R65 IonicContact OD2-CZ 3.36Å; D63-R65 IonicContact OD2-NE 2.6Å; D63-R65 PolarHBondContact OD2-NE 2.92Å; D63-R65 IonicContact OD2-NH2 3.18Å; D63-R65 PolarHBondContact OD2-NH2 3.12Å |
| 66 | N | 80.1 | Confident | 73.6 | Confident | 101 Ų | 101 | 90.3 Ų | 90.3 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | -10.8 | 180 | -64.9 | 65.8 | 0 | 0 | 0 | 112.8 | D63 I64 G68 | D63-N66 HydrophobicContact CB-CB 4.42Å; D63-N66 PolarHBondContact O-N 3Å; I64-N66 VanDerWaalsContact C-N 3.31Å; N66-G68 PolarHBondContact O-N 2.71Å |
| 67 | G | 64.4 | Low | 71.3 | Confident | 57 Ų | 57 | 99.9 Ų | 99.9 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 3.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | D63 | D63-G67 PolarHBondContact O-N 3.46Š|
| 68 | G | 59.3 | Low | 69.2 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 84% | 0.835 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -13.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N66 | N66-G68 PolarHBondContact O-N 2.71Š|
| 69 | G | 56.1 | Low | 66.7 | Low | 69 Ų | 69 | 111.7 Ų | 111.7 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.1 | 11.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 70 | S | 53.3 | Low | 64.6 | Low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | | | trans | -132.4 | 37.3 | -176.2 | -60.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 71 | G | 51 | Low | 62.6 | Low | 50 Ų | 50 | 123.2 Ų | 123.2 | 52% | 0.515 | 67% | 0.674 | S | S | . | * | | | trans | -92.2 | 130.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G73 | G71-G73 PolarHBondContact O-N 3.02Š|
| 72 | P | 52.2 | Low | 60.2 | Low | 148 Ų | 148 | 126.1 Ų | 126.1 | 96% | 0.961 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 48.3 | -175.5 | 35.1 | -38.1 | 0 | 0 | 0 | 112.9 | | |
| 73 | G | 55.9 | Low | 58.3 | Low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.2 | -31.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G71 R75 | G71-G73 PolarHBondContact O-N 3.02Å; G73-R75 PolarHBondContact O-N 3.1Å; G73-R75 VanDerWaalsContact O-N 3.14Å |
| 74 | D | 47.8 | Very low | 56.1 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | trans | -88.1 | 93.9 | -179.4 | -130.7 | -18.8 | 0 | 0 | 0 | 112.9 | | |
| 75 | R | 48 | Very low | 53.7 | Low | 198 Ų | 198 | 140.5 Ų | 140.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | 7.5 | 129.3 | 139.5 | -57.4 | 176.8 | 179.8 | 92.5 | -0.1 | 115 | G73 Y77 | G73-R75 PolarHBondContact O-N 3.1Å; G73-R75 VanDerWaalsContact O-N 3.14Å; R75-Y77 PolarHBondContact O-N 3.29Å |
| 76 | A | 42.7 | Very low | 52 | Low | 100 Ų | 100 | 138.7 Ų | 138.7 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -65.7 | 77.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111 | R78 | A76-R78 PolarHBondContact O-N 3.01Š|
| 77 | Y | 45.7 | Very low | 50.3 | Low | 211 Ų | 211 | 139.3 Ų | 139.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -70.3 | 75.2 | -179.1 | -170.4 | -99.1 | 0 | 0 | 0 | 110.9 | R75 | R75-Y77 PolarHBondContact O-N 3.29Š|
| 78 | R | 51.5 | Low | 49.7 | Very low | 216 Ų | 216 | 143 Ų | 143 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | 36.9 | 82.7 | -176.7 | -60.9 | -171.5 | -166.5 | -108.3 | 7.4 | 113.6 | A76 R80 | A76-R78 PolarHBondContact O-N 3.01Å; R78-R80 PolarHBondContact O-N 2.74Å |
| 79 | Q | 44.9 | Very low | 49.3 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -51 | 96 | 148.1 | -82.2 | -70.3 | -2 | 0 | 0 | 108.7 | R81 | Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 3.08Å |
| 80 | R | 51.6 | Low | 48.9 | Very low | 226 Ų | 226 | 148.2 Ų | 148.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -70.2 | 89.2 | 178.6 | -84.5 | -174.3 | 168.9 | -122.9 | 3.7 | 107.5 | R78 | R78-R80 PolarHBondContact O-N 2.74Š|
| 81 | R | 50.6 | Low | 48.7 | Very low | 226 Ų | 226 | 149.2 Ų | 149.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -38.5 | 124.3 | 176.1 | -73.5 | -172.1 | 175.7 | -161 | -0.1 | 110.4 | Q79 R83 | Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 3.08Å; R81-R83 PolarHBondContact O-N 2.67Å |
| 82 | P | 43.6 | Very low | 48.5 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -57.2 | 108.6 | 171.4 | -24.8 | 34.5 | 0 | 0 | 0 | 109.7 | Q84 | P82-Q84 PolarHBondContact O-N 2.7Š|
| 83 | R | 53.1 | Low | 48.3 | Very low | 239 Ų | 239 | 159.1 Ų | 159.1 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -77.7 | 47.8 | 178.8 | -80.3 | -167.3 | 170.3 | -141.3 | 3 | 112 | R81 | R81-R83 PolarHBondContact O-N 2.67Š|
| 84 | Q | 45.4 | Very low | 47.9 | Very low | 177 Ų | 177 | 166.9 Ų | 166.9 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -147.1 | 66.7 | 169.5 | -68.9 | -57.1 | -15.3 | 0 | 0 | 110.3 | P82 | P82-Q84 PolarHBondContact O-N 2.7Š|
| 85 | S | 41.8 | Very low | 47.9 | Very low | 113 Ų | 113 | 171.1 Ų | 171.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -88.3 | 111.4 | 156.4 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 86 | S | 53.1 | Low | 47.5 | Very low | 97 Ų | 97 | 168.6 Ų | 168.6 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | -67.6 | 141.5 | 173.6 | 36.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 87 | P | 44.1 | Very low | 47.8 | Very low | 114 Ų | 114 | 167.8 Ų | 167.8 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | | | trans | -62.7 | 130 | 179.5 | -23.5 | 34 | 0 | 0 | 0 | 111.8 | G89 | P87-G89 PolarHBondContact O-N 3.37Š|
| 88 | P | 52.2 | Low | 47.4 | Very low | 135 Ų | 135 | 166.7 Ų | 166.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 96 | 179.7 | 29 | -34.2 | 0 | 0 | 0 | 110.4 | | |
| 89 | G | 49.8 | Very low | 46.9 | Very low | 59 Ų | 59 | 167.9 Ų | 167.9 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.9 | -10.2 | 178 | 0 | 0 | 0 | 0 | 0 | 119.9 | P87 | P87-G89 PolarHBondContact O-N 3.37Š|
| 90 | R | 48.5 | Very low | 46.6 | Very low | 199 Ų | 199 | 165.6 Ų | 165.6 | 75% | 0.751 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -84.6 | -25.9 | -177.6 | -85.5 | -167.9 | 178 | -97.1 | 2.5 | 115.2 | K92 R93 | R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 2.91Å; R90-R93 PolarHBondContact O-N 2.97Å |
| 91 | D | 48.9 | Very low | 45.8 | Very low | 133 Ų | 133 | 158.8 Ų | 158.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -74.2 | -20.1 | -165.1 | -48.9 | -62.3 | 0 | 0 | 0 | 114.1 | R93 | D91-R93 PolarHBondContact O-N 3.46Š|
| 92 | K | 47.6 | Very low | 45.1 | Very low | 187 Ų | 187 | 159.7 Ų | 159.7 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -74.1 | -4.3 | 174.1 | -69.9 | -163.8 | 176.1 | -171.9 | 0 | 114.6 | R90 | R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 2.91Å |
| 93 | R | 47.3 | Very low | 44.6 | Very low | 219 Ų | 219 | 158.8 Ų | 158.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -97.5 | 5.2 | -180 | -80.7 | -170.1 | 172.7 | -86.2 | 3.1 | 115.5 | R90 D91 | R90-R93 PolarHBondContact O-N 2.97Å; D91-R93 PolarHBondContact O-N 3.46Å |
| 94 | W | 47.7 | Very low | 44 | Very low | 225 Ų | 225 | 159.8 Ų | 159.8 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -120.7 | 11 | -176.8 | -66.8 | 114.8 | 0 | 0 | 0 | 114.9 | | |
| 95 | R | 48 | Very low | 43.7 | Very low | 219 Ų | 219 | 158.7 Ų | 158.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -106.6 | -24.2 | -178.4 | -98 | -79.3 | -115.2 | -87.2 | -5.4 | 114.9 | | |
| 96 | D | 38.6 | Very low | 43.3 | Very low | 144 Ų | 144 | 160.4 Ų | 160.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -111.4 | 121.3 | -175.4 | -56.2 | -60.3 | 0 | 0 | 0 | 110.6 | | |
| 97 | G | 49.6 | Very low | 42.3 | Very low | 83 Ų | 83 | 167.3 Ų | 167.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -92.2 | 107.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 98 | Q | 37.2 | Very low | 41.7 | Very low | 188 Ų | 188 | 165.3 Ų | 165.3 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | -132.5 | 133.9 | 149.4 | -85.8 | -151.3 | -30.1 | 0 | 0 | 111.4 | | |
| 99 | R | 41.8 | Very low | 41.1 | Very low | 241 Ų | 241 | 163.2 Ų | 163.2 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | -98.3 | 119.1 | 169.2 | -72.8 | 179.4 | 170.5 | -134.8 | 2.9 | 109.6 | | |
| 100 | P | 38.9 | Very low | 40.7 | Very low | 130 Ų | 130 | 163.8 Ų | 163.8 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | trans | -65.5 | 141.6 | 151.2 | -14.8 | 30.7 | 0 | 0 | 0 | 109 | | |
| 101 | A | 33.7 | Very low | 40.8 | Very low | 83 Ų | 83 | 160.2 Ų | 160.2 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | | | trans | -116.2 | 133.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 102 | R | 36.9 | Very low | 41.5 | Very low | 245 Ų | 245 | 159.6 Ų | 159.6 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | 68.8 | 160.5 | 177.1 | -44 | 170 | -167.8 | -117.9 | 0.2 | 111.6 | | |
| 103 | T | 32.3 | Very low | 41.6 | Very low | 105 Ų | 105 | 156.6 Ų | 156.6 | 64% | 0.644 | 82% | 0.821 | S | S | * | * | | | cis | -123.5 | 149 | 6.6 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 104 | W | 40.5 | Very low | 41.9 | Very low | 260 Ų | 260 | 151.9 Ų | 151.9 | 99% | 0.985 | 82% | 0.818 | S | S | * | * | | | trans | -113.9 | 102.5 | 162.7 | -88 | 88.2 | 0 | 0 | 0 | 107.7 | | |
| 105 | Q | 40.3 | Very low | 41.2 | Very low | 154 Ų | 154 | 147 Ų | 147 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | | | trans | -146.2 | 120.8 | -179.6 | -98.5 | 149.1 | -9.1 | 0 | 0 | 111.1 | | |
| 106 | N | 31.7 | Very low | 40.3 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | trans | 66.8 | 115.9 | 159.1 | -66.1 | -6.4 | 0 | 0 | 0 | 120.7 | | |
| 107 | R | 32.7 | Very low | 40.5 | Very low | 242 Ų | 242 | 142 Ų | 142 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | | 49.9 | 116.7 | 108.1 | -155.9 | -175.4 | -152.5 | -109 | 9.9 | 115.9 | | |
| 108 | G | 32.3 | Very low | 40.9 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | cis | 123.1 | 127.1 | 11.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 109 | G | 39.8 | Very low | 41.6 | Very low | 92 Ų | 92 | 140 Ų | 140 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | | | trans | 72.2 | 92.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 110 | G | 40.3 | Very low | 41.8 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | -175.5 | 139.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 111 | P | 50.6 | Low | 41.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 155.8 | 172.5 | 33.6 | -34.4 | 0 | 0 | 0 | 111.8 | | |
| 112 | P | 63.2 | Low | 41.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 149.7 | 175.9 | 30.7 | -35 | 0 | 0 | 0 | 112.6 | | |
| 113 | P | 49.1 | Very low | 41.2 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 155 | -176.4 | 33.9 | -36.2 | 0 | 0 | 0 | 114.2 | | |
| 114 | P | 54 | Low | 41.4 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -105.2 | 137.9 | 178.4 | 37.5 | -31.7 | 0 | 0 | 0 | 114.8 | | |
| 115 | S | 32.5 | Very low | 41 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | 174.8 | 146.3 | 168.9 | -87 | 0 | 0 | 0 | 0 | 109.3 | | |
| 116 | T | 31.1 | Very low | 41 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | cis | -149.2 | 172.1 | -6.9 | -60.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 117 | V | 41.4 | Very low | 42 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -120.3 | -161.1 | -167.7 | -151.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 118 | P | 59.5 | Low | 42.4 | Very low | 110 Ų | 110 | 113.9 Ų | 113.9 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | | -98.6 | -159.4 | -119.6 | 44 | -27.9 | 0 | 0 | 0 | 114.5 | | |
| 119 | P | 49.9 | Very low | 42.6 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | | -149.1 | -155.3 | 75 | 39.1 | -14.1 | 0 | 0 | 0 | 113.9 | | |
| 120 | P | 47.9 | Very low | 42.2 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | -133.5 | 171.7 | -82.4 | 42.1 | -26.8 | 0 | 0 | 0 | 115.9 | | |
| 121 | S | 31.2 | Very low | 41.8 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 178.5 | 128.4 | 133.3 | -80.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 122 | S | 31.6 | Very low | 40.8 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 23 | 145.9 | 148.9 | 57.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 123 | S | 33.9 | Very low | 39.4 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | cis | -174.8 | 147.3 | -7.9 | -93.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 124 | S | 35.1 | Very low | 38.5 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | 55.9 | 152.8 | 158.3 | -92.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 125 | A | 33.7 | Very low | 37.4 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 57% | 0.57 | 78% | 0.779 | S | S | * | * | | | cis | -148.4 | 163 | -12.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 126 | F | 39.2 | Very low | 37.3 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | | | cis | -148.3 | 170 | 30.7 | -73.9 | -93.7 | 0 | 0 | 0 | 110.7 | | |
| 127 | P | 52.3 | Low | 37.3 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 150.6 | -176.5 | 35.7 | -35.3 | 0 | 0 | 0 | 115.1 | | |
| 128 | P | 41.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 117.4 | 167.7 | 33.1 | -30.5 | 0 | 0 | 0 | 111.8 | | |
| 129 | L | 36.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 150.4 | 170.5 | -66.2 | 175.7 | 0 | 0 | 0 | 111.3 | | |
| 130 | S | 32.3 | Very low | 35 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -134.9 | 150 | -175.7 | -73.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 131 | A | 31.2 | Very low | 34.9 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | 63.6 | 113.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 132 | A | 29.7 | Very low | 35.6 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | | -162.6 | 127.1 | 117.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 133 | Q | 33.8 | Very low | 36.1 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | trans | 48.3 | 99.6 | 140.4 | -62.3 | -64 | -51.7 | 0 | 0 | 120.5 | | |
| 134 | R | 30.1 | Very low | 36.1 | Very low | 257 Ų | 257 | 136.7 Ų | 136.7 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | | | | -155.6 | 101 | 122.3 | -112.5 | 172.5 | -168.9 | -87.8 | -1.6 | 111.2 | | |
| 135 | S | 30.8 | Very low | 36.1 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | | | trans | -83.3 | 139.3 | 172.8 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 136 | N | 31.7 | Very low | 36.1 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | | 177.7 | 111.6 | 127.9 | -91 | -7 | 0 | 0 | 0 | 110.9 | | |
| 137 | N | 31.2 | Very low | 35.9 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | | | trans | -173.3 | 126.2 | 137.8 | -98.6 | -22.3 | 0 | 0 | 0 | 109.3 | | |
| 138 | S | 32.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -97.6 | 126.1 | -169.3 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 139 | S | 34.2 | Very low | 34.9 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | 47.1 | 105 | 134.5 | -54 | 0 | 0 | 0 | 0 | 120.3 | | |
| 140 | R | 33.9 | Very low | 34.8 | Very low | 245 Ų | 245 | 147 Ų | 147 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | | -160.8 | 117.2 | 121.4 | -137.5 | 176.6 | -176.9 | -141.1 | 0.8 | 114.8 | | |
| 141 | P | 46.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | | | trans | -90.6 | 159.8 | 164.4 | 35.4 | -32.7 | 0 | 0 | 0 | 112.3 | | |
| 142 | P | 45.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -78.5 | 154.4 | 173.7 | 33 | -35.2 | 0 | 0 | 0 | 112.7 | S144 | P142-S144 PolarHBondContact O-N 2.9Š|
| 143 | P | 41.8 | Very low | 35 | Very low | 126 Ų | 126 | 155.5 Ų | 155.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -85.7 | 110.1 | -175.5 | 32.4 | -34 | 0 | 0 | 0 | 113.7 | | |
| 144 | S | 34.3 | Very low | 35 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -71.6 | 128.1 | 157.9 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | P142 | P142-S144 PolarHBondContact O-N 2.9Š|
| 145 | R | 34.3 | Very low | 35.3 | Very low | 252 Ų | 252 | 148.2 Ų | 148.2 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | | | trans | -114.8 | 106.7 | -177.7 | -147.9 | -179.6 | -164.9 | -147 | 4.1 | 111.5 | | |
| 146 | S | 35.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -104.5 | 132.1 | -176.1 | -48.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 147 | R | 33.1 | Very low | 35.5 | Very low | 245 Ų | 245 | 150.7 Ų | 150.7 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -161 | 164.6 | 154.5 | -112 | -152.1 | 161.8 | -152.7 | -5.2 | 110.5 | | |
| 148 | P | 39.2 | Very low | 35.4 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 62% | 0.617 | 81% | 0.807 | S | S | * | * | | | | -126 | 166.9 | -117.7 | 40.8 | -27 | 0 | 0 | 0 | 115.2 | | |
| 149 | P | 34.4 | Very low | 35.3 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 129.5 | 162.3 | 32.1 | -32 | 0 | 0 | 0 | 110.4 | | |
| 150 | H | 34.8 | Very low | 35.1 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 141.1 | 167.3 | -163.9 | -79.5 | 0 | 0 | 0 | 109.7 | | |
| 151 | Y | 33.7 | Very low | 35 | Very low | 200 Ų | 200 | 147 Ų | 147 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 158.6 | -179.4 | -112.4 | -97.4 | 0 | 0 | 0 | 112.1 | | |
| 152 | S | 31.5 | Very low | 34.3 | Very low | 98 Ų | 98 | 152.9 Ų | 152.9 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | trans | 49.3 | 121.4 | 156.2 | 59.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 153 | Q | 31.9 | Very low | 33.6 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | | -158.2 | 169.1 | 113.4 | -103.5 | -62.1 | 13.3 | 0 | 0 | 110.6 | | |
| 154 | A | 34 | Very low | 33 | Very low | 83 Ų | 83 | 159.7 Ų | 159.7 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | | | trans | -82.9 | 167.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 155 | H | 35.1 | Very low | 32.8 | Very low | 187 Ų | 187 | 161.6 Ų | 161.6 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -62.7 | 152.9 | 169.9 | -61 | -79.8 | 0 | 0 | 0 | 112.1 | | |
| 156 | P | 39.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | | -137.6 | 177.4 | 106.5 | 39.7 | -30 | 0 | 0 | 0 | 115.5 | | |
| 157 | L | 28.7 | Very low | 33 | Very low | 166 Ų | 166 | 159.3 Ų | 159.3 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | -51.8 | 143.2 | -179.9 | -57.6 | 153.3 | 0 | 0 | 0 | 115.4 | | |
| 158 | S | 28.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 155.6 Ų | 155.6 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | | 174.4 | 170.9 | 110.1 | 46.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 159 | Q | 29.6 | Very low | 32.6 | Very low | 177 Ų | 177 | 154.6 Ų | 154.6 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | -53.8 | 152.7 | -172.1 | -70 | 167.2 | -14 | 0 | 0 | 115.5 | | |
| 160 | S | 30.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | | -159.9 | 173.5 | 77 | 24.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 161 | E | 33.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 71% | 0.71 | 81% | 0.808 | S | S | * | * | | | trans | -68.6 | 146.7 | -158.9 | -68.9 | 90.1 | 140.5 | 0 | 0 | 116.6 | | |
| 162 | Y | 31.3 | Very low | 32.7 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | | | | -155.9 | 78.2 | 125.4 | -110.5 | -70.2 | 0 | 0 | 0 | 113.5 | | |
| 163 | R | 30.7 | Very low | 32.7 | Very low | 236 Ų | 236 | 152.6 Ų | 152.6 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | 32.2 | 97.9 | 140.2 | -169.1 | -176.3 | -171.9 | 171.3 | 3.3 | 119 | | |
| 164 | N | 28.5 | Very low | 33 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -152.6 | 102.7 | 141.1 | -157.9 | -75 | 0 | 0 | 0 | 112 | | |
| 165 | N | 31.8 | Very low | 33.1 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | trans | -131.9 | 111 | 170.7 | -89.3 | 34.9 | 0 | 0 | 0 | 108.1 | | |
| 166 | E | 34.2 | Very low | 32.8 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -150 | 111.8 | 154.2 | -137.6 | 163.3 | 104 | 0 | 0 | 111.2 | | |
| 167 | S | 38.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | | | trans | -164.2 | 89.5 | 172.5 | -79.4 | 0 | 0 | 0 | 0 | 109 | | |
| 168 | N | 30.6 | Very low | 32.9 | Very low | 167 Ų | 167 | 162.3 Ų | 162.3 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -148.5 | 149.2 | 155 | -150.7 | -0.4 | 0 | 0 | 0 | 111.2 | | |
| 169 | A | 32.7 | Very low | 32.9 | Very low | 74 Ų | 74 | 160.7 Ų | 160.7 | 61% | 0.612 | 81% | 0.809 | S | S | * | * | | | trans | -102.7 | -169.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 170 | P | 41.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 157.5 Ų | 157.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | cis | -143 | -163.6 | 9.6 | 38.5 | -14.8 | 0 | 0 | 0 | 115.8 | | |
| 171 | Q | 32.8 | Very low | 33.6 | Very low | 162 Ų | 162 | 161.1 Ų | 161.1 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | | | trans | 71.5 | 113 | 163.4 | -61.5 | -73.9 | 9.3 | 0 | 0 | 118.7 | | |
| 172 | V | 31.8 | Very low | 33.4 | Very low | 121 Ų | 121 | 159.5 Ų | 159.5 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | | -172.8 | 146.6 | 92.7 | -85.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 173 | H | 31.6 | Very low | 33.1 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | 13.9 | 138.5 | 160.5 | -50.2 | -70.1 | 0 | 0 | 0 | 123.9 | | |
| 174 | P | 37.5 | Very low | 33.2 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -99.2 | 157.3 | 133.4 | 21.5 | -4.7 | 0 | 0 | 0 | 112.2 | | |
| 175 | R | 35.4 | Very low | 33.1 | Very low | 248 Ų | 248 | 153 Ų | 153 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | trans | -106.4 | 141.9 | -164.8 | -177.6 | 176.3 | 178.5 | 170.9 | 0.7 | 114 | | |
| 176 | E | 30.2 | Very low | 33.3 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -75 | 161.3 | -178.4 | -57.8 | 175.1 | 111.6 | 0 | 0 | 115 | | |
| 177 | R | 36.5 | Very low | 33.8 | Very low | 248 Ų | 248 | 149.6 Ų | 149.6 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | | | trans | -149.4 | 140.9 | 150.1 | -104.5 | -169.2 | -77.2 | -150.2 | 0.4 | 110.4 | | |
| 178 | H | 32.9 | Very low | 33.4 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | | | trans | -82.3 | 134.6 | -172.1 | -53.1 | -76 | 0 | 0 | 0 | 112.2 | | |
| 179 | A | 28.5 | Very low | 33.4 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | | 84.8 | 166.2 | 93.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 180 | P | 46.9 | Very low | 33.5 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | cis | -139.5 | 155.5 | 6.2 | 41.5 | -22.9 | 0 | 0 | 0 | 119.8 | | |
| 181 | K | 27.8 | Very low | 32.9 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | 53.3 | 114.9 | 136.8 | -64.8 | 178.2 | 176.4 | -179.7 | 0 | 124.4 | | |
| 182 | S | 29.1 | Very low | 32.8 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | | -176.7 | 146.7 | 127 | 33.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 183 | Q | 25.2 | Very low | 32.8 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | cis | 97.6 | 95.5 | -3.6 | -161.1 | 179.1 | -9.4 | 0 | 0 | 119.5 | | |
| 184 | L | 32.9 | Very low | 33 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | -166.7 | 170.6 | 143.8 | -114.1 | 168.5 | 0 | 0 | 0 | 110.5 | | |
| 185 | D | 26.7 | Very low | 32.8 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -140.7 | 153.4 | -154.3 | -110.7 | -54.8 | 0 | 0 | 0 | 115.6 | | |
| 186 | L | 35.5 | Very low | 32.7 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | 65 | 174.6 | 155.2 | -63.1 | 167.5 | 0 | 0 | 0 | 118.8 | | |
| 187 | P | 45.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | | -138.3 | -175.9 | -57.9 | 41.4 | -26.6 | 0 | 0 | 0 | 114.5 | | |
| 188 | G | 29.4 | Very low | 32.7 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | 134.7 | 78.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 189 | D | 31.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | | | | 69.4 | 151.1 | 126.6 | -146.1 | 12.9 | 0 | 0 | 0 | 125.6 | | |
| 190 | R | 33.9 | Very low | 33 | Very low | 225 Ų | 225 | 141.7 Ų | 141.7 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | | | trans | 66.6 | 121.2 | 156.4 | -85.3 | 160.6 | -145.9 | -131.7 | -3.2 | 125.1 | | |
| 191 | G | 29.5 | Very low | 32.2 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | | | trans | 122.1 | 120.4 | 136.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 192 | G | 30 | Very low | 32.4 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | cis | 138.1 | 50.1 | -20.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 193 | S | 32.8 | Very low | 32.8 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | trans | -177 | 169.6 | 162.5 | -88.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 194 | V | 34.9 | Very low | 33 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 70% | 0.697 | 83% | 0.83 | S | S | * | * | | | | -174.4 | 142.8 | -52.7 | 127.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 195 | R | 34.7 | Very low | 33 | Very low | 247 Ų | 247 | 132.5 Ų | 132.5 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | trans | 68.3 | 147.5 | 163.5 | -79.7 | 163.6 | -169.6 | -142.6 | 2.2 | 121.8 | | |
| 196 | G | 31.4 | Very low | 33.1 | Very low | 84 Ų | 84 | 132 Ų | 132 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | | | trans | 123.2 | 128 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 197 | G | 32.1 | Very low | 33 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | cis | 157.9 | 72.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 198 | R | 34.7 | Very low | 32.3 | Very low | 243 Ų | 243 | 130.2 Ų | 130.2 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | | | trans | -12.1 | 140.8 | 176.5 | -47.3 | 179 | -170 | -163 | 3.8 | 118.9 | | |
| 199 | V | 34.1 | Very low | 32.4 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | | | | 179.3 | 161.8 | 112.1 | 147.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 200 | H | 34.1 | Very low | 32.6 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | | | trans | -68.2 | 156.2 | -175.2 | -55.9 | -113.9 | 0 | 0 | 0 | 115.9 | | |
| 201 | G | 30.9 | Very low | 32.6 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | | | trans | 177.2 | 123.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 202 | G | 31.7 | Very low | 32.6 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | | | trans | -111.8 | 164.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 203 | R | 37.4 | Very low | 32.8 | Very low | 265 Ų | 265 | 139.9 Ų | 139.9 | 100% | 1 | 83% | 0.833 | S | S | * | * | | | trans | 71.4 | 106 | 172.2 | -65.7 | -179.9 | 170.5 | -112.9 | 0.6 | 117.3 | | |
| 204 | G | 28.6 | Very low | 33 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | trans | -153.1 | 150.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 205 | G | 33.3 | Very low | 32.6 | Very low | 67 Ų | 67 | 141.3 Ų | 141.3 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | | | trans | -110.9 | -167.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 206 | S | 30.2 | Very low | 32.6 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | 66.8 | 133.6 | -166.3 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 207 | S | 32.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | cis | 81.4 | 107.5 | 37.8 | -161.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 208 | V | 30.3 | Very low | 32.3 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | | | trans | -82.7 | 132 | -177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | I210 | V208-I210 HydrophobicContact CG1-CG1 4.31Š|
| 209 | V | 31.9 | Very low | 32 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | | | trans | -123 | 143.8 | 159.2 | -178.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 210 | I | 36.1 | Very low | 31.9 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -97.7 | 145 | -177.2 | -66.9 | 174.9 | 0 | 0 | 0 | 109.3 | V208 | V208-I210 HydrophobicContact CG1-CG1 4.31Š|
| 211 | E | 34.4 | Very low | 31.8 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -69.8 | 151.8 | -178.4 | -63.7 | 163.8 | 104.7 | 0 | 0 | 113.1 | | |
| 212 | E | 28.2 | Very low | 32 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -120.5 | 149.1 | 150.8 | -173.2 | 166.9 | -145.8 | 0 | 0 | 107.8 | | |
| 213 | V | 35 | Very low | 32 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | | | trans | -99.4 | 144.7 | -169.9 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 214 | S | 35.7 | Very low | 31.5 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -54.4 | 151.7 | -175.6 | -41 | 0 | 0 | 0 | 0 | 115.8 | | |
| 215 | D | 27.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -141.1 | -178.2 | 133.7 | -138.7 | -35.2 | 0 | 0 | 0 | 111.6 | | |
| 216 | S | 34.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | -109.5 | 166.9 | -145.3 | -50.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 217 | Q | 29.8 | Very low | 32.9 | Very low | 179 Ų | 179 | 131.5 Ų | 131.5 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | 126.6 | 101.2 | 135.5 | -164.6 | 159 | 2.9 | 0 | 0 | 119.7 | | |
| 218 | S | 27.3 | Very low | 33 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 35.9 | 134.3 | 144.9 | 68.5 | 0 | 0 | 0 | 0 | 124.5 | | |
| 219 | G | 28.3 | Very low | 33.2 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 161.5 | 123.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 220 | A | 31.3 | Very low | 33.1 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 50.2 | 136.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 221 | A | 33.6 | Very low | 33 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | cis | 76.6 | 124.2 | 40 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 222 | E | 33.7 | Very low | 32.8 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | cis | -148 | -178.6 | 4.1 | -62.7 | -161.5 | 104.6 | 0 | 0 | 113 | | |
| 223 | D | 31.7 | Very low | 33 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | 73.2 | 149.3 | 150.3 | -87.9 | -19.2 | 0 | 0 | 0 | 124.8 | | |
| 224 | G | 27.7 | Very low | 32.7 | Very low | 63 Ų | 63 | 121.4 Ų | 121.4 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | -123 | -133.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 225 | P | 53 | Low | 32.5 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -138.9 | -167.4 | -11.4 | 43.2 | -25.8 | 0 | 0 | 0 | 113.7 | | |
| 226 | R | 33.3 | Very low | 32.5 | Very low | 224 Ų | 224 | 117.2 Ų | 117.2 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 69.5 | 158.2 | 157.3 | -70.8 | 179.5 | 174.6 | -118.5 | -0.6 | 117.8 | | |
| 227 | S | 34.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 121 Ų | 121 | 50% | 0.503 | 78% | 0.782 | S | S | . | * | | | cis | -163.4 | 160.4 | -14.5 | -102.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 228 | E | 34.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 118.1 Ų | 118.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | 30.6 | 154 | 139 | -65.2 | 142.8 | -102.5 | 0 | 0 | 122.6 | | |
| 229 | S | 35.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | cis | -174.1 | 165.8 | -13.6 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 230 | A | 29.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 117 Ų | 117 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -159.7 | 151.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 231 | A | 35 | Very low | 33 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -149.6 | 162.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 232 | T | 30.1 | Very low | 32.7 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | 170 | 165.4 | 151.4 | 26.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 233 | S | 31.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | | -168.9 | 160.8 | -52.4 | -94.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 234 | A | 28.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 68.5 | 140.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 235 | A | 32.4 | Very low | 33.7 | Very low | 106 Ų | 106 | 130 Ų | 130 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | cis | 85.7 | 131 | 15.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 236 | G | 28.1 | Very low | 32.7 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | cis | 165.3 | 168.5 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 237 | Q | 31.2 | Very low | 32.8 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | 70.3 | 170.1 | 164.5 | -60.7 | -62 | -27.4 | 0 | 0 | 118.6 | | |
| 238 | P | 49.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | cis | -137.3 | 173.4 | -39.6 | 35.4 | -18.7 | 0 | 0 | 0 | 116 | | |
| 239 | G | 27.2 | Very low | 32.4 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | 118.3 | 128.1 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 240 | G | 26.1 | Very low | 32.2 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 161 | 124.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 241 | Y | 27.3 | Very low | 32.2 | Very low | 230 Ų | 230 | 141.3 Ų | 141.3 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -110.9 | 146 | -174.8 | -73.4 | -103.7 | 0 | 0 | 0 | 113.1 | | |
| 242 | Q | 28.4 | Very low | 32 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | | 179.4 | 165 | 114.2 | -102.7 | -163.9 | 12.8 | 0 | 0 | 115.2 | | |
| 243 | S | 32.9 | Very low | 31.8 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -149.7 | 149.5 | 157.1 | -69.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 244 | P | 49.8 | Very low | 31.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | | -140.8 | 179.3 | 129.8 | 36.3 | -22.3 | 0 | 0 | 0 | 114.4 | | |
| 245 | R | 30.6 | Very low | 31.6 | Very low | 218 Ų | 218 | 145.2 Ų | 145.2 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | | | trans | -134.2 | 130.4 | -164 | 160.5 | -166.8 | 171.5 | -167.4 | 0.9 | 111.6 | | |
| 246 | R | 30.8 | Very low | 31.4 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | trans | 178.3 | 142.9 | 150.1 | -101.2 | 163 | -172.4 | -79.5 | 4 | 107.6 | | |
| 247 | Q | 35.3 | Very low | 31.6 | Very low | 142 Ų | 142 | 155 Ų | 155 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | | | cis | 73 | 103.6 | 25.2 | -156.7 | -170.7 | 45.4 | 0 | 0 | 114.7 | | |
| 248 | Q | 30.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -133.7 | 153.4 | 157.2 | -159.4 | 166.1 | 17.1 | 0 | 0 | 109.5 | | |
| 249 | Q | 31.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -138.4 | -172.6 | -169.9 | -172 | 175.4 | -1.1 | 0 | 0 | 107.6 | | |
| 250 | E | 30.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | | | trans | 99.8 | 149 | 164.8 | -51.9 | -154.2 | 142.3 | 0 | 0 | 116.9 | | |
| 251 | R | 29.5 | Very low | 30.9 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | | | cis | -165.9 | 154.8 | -24.6 | -109.5 | -171.5 | -143 | -83.4 | -4.3 | 111.3 | | |
| 252 | R | 30.3 | Very low | 31.2 | Very low | 218 Ų | 218 | 153.7 Ų | 153.7 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | trans | 75.1 | 160.7 | 143.8 | -75.9 | 172.1 | 172.2 | -171.2 | -1.8 | 122 | | |
| 253 | S | 25.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 73.8 | 128.5 | 171 | -60.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 254 | S | 26.6 | Very low | 31 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | cis | 85 | 129.3 | 40.3 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 255 | G | 29.6 | Very low | 30 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | cis | 175.3 | 177.3 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 256 | D | 28.5 | Very low | 29.9 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | 68.7 | 145.9 | 161.1 | -87.4 | -39 | 0 | 0 | 0 | 124.9 | | |
| 257 | R | 31.5 | Very low | 29.9 | Very low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | | | trans | 72.3 | 118.6 | 147.8 | -80 | 176.1 | 173.9 | 165.9 | -0.5 | 124 | | |
| 258 | A | 30.6 | Very low | 29.6 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | | 64.8 | 148.6 | 119.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 259 | A | 32.3 | Very low | 30.8 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | cis | -171.4 | -170.2 | -13.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 260 | S | 28.8 | Very low | 30.6 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 83 | 117.3 | 166.1 | -64.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 261 | R | 27.6 | Very low | 30.7 | Very low | 227 Ų | 227 | 131.2 Ų | 131.2 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | | 71.4 | 136 | 88.1 | -67.9 | 166.1 | 170.9 | -117.6 | 0.4 | 112.1 | | |
| 262 | L | 33.2 | Very low | 30.8 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | cis | -133.7 | 159.9 | 19.3 | -59.5 | 156.9 | 0 | 0 | 0 | 109.6 | | |
| 263 | A | 28.1 | Very low | 30.7 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | cis | 90.4 | 95 | 16.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 264 | A | 30.3 | Very low | 30.9 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 65.2 | 160.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 265 | S | 29.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | cis | -140.9 | 177.1 | 10.7 | -55.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 266 | T | 27.3 | Very low | 31.3 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | cis | -151.3 | 148.4 | 24 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 267 | S | 31.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 54.6 | 119.7 | 141.1 | 64.9 | 0 | 0 | 0 | 0 | 124 | | |
| 268 | D | 28.4 | Very low | 31.7 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -52.2 | -177.6 | 141.7 | -122.5 | -20.8 | 0 | 0 | 0 | 113.4 | | |
| 269 | P | 55.6 | Low | 32.2 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | cis | -138.3 | -172.8 | -11.3 | 37.2 | -16.6 | 0 | 0 | 0 | 116 | | |
| 270 | A | 27.1 | Very low | 32.3 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | 119.7 | 117.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 271 | L | 33.3 | Very low | 32.6 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | | 36.4 | 141.8 | 126.5 | -46.1 | -175.9 | 0 | 0 | 0 | 120.5 | | |
| 272 | Q | 31.8 | Very low | 33.9 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | -167.2 | 177.8 | -2.3 | -122.8 | 169.3 | -7 | 0 | 0 | 111.6 | | |
| 273 | S | 28.3 | Very low | 34.4 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 66.1 | 114.2 | 152.1 | 64.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 274 | S | 30.1 | Very low | 35 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 44.3 | 126.1 | 132.2 | 64.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 275 | A | 30.6 | Very low | 35.9 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | | -155.5 | 159.4 | 123 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 276 | A | 33.9 | Very low | 37 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -83.1 | 157.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 277 | N | 34.4 | Very low | 38.3 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | 27 | 115.6 | 141.6 | -169.2 | 6.4 | 0 | 0 | 0 | 118.6 | | |
| 278 | R | 33.7 | Very low | 39.2 | Very low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -146.5 | 124.7 | 156.4 | -160.1 | 168 | -169 | 143.2 | 3.8 | 113 | | |
| 279 | E | 40.8 | Very low | 40.6 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -52.3 | 135 | 172.4 | -152.1 | 97.6 | 145.1 | 0 | 0 | 112.8 | | |
| 280 | A | 35.3 | Very low | 40.8 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -156.2 | 137.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 281 | S | 34.9 | Very low | 41.8 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 159.2 | -175.4 | -53.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 282 | P | 53.9 | Low | 42.6 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 152.7 | 167.8 | 26 | -35.5 | 0 | 0 | 0 | 112.6 | | |
| 283 | P | 44.2 | Very low | 43.1 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 154.5 | -167.5 | 30.4 | -36.5 | 0 | 0 | 0 | 114.8 | E285 | P283-E285 PolarHBondContact O-N 2.9Š|
| 284 | V | 41.2 | Very low | 44 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 122.9 | -179.7 | 166.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 285 | E | 49.2 | Very low | 44.7 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.5 | 159.6 | -69.5 | -166.1 | 128.6 | 0 | 0 | 110.8 | P283 | P283-E285 PolarHBondContact O-N 2.9Š|
| 286 | R | 52.1 | Low | 45.2 | Very low | 215 Ų | 215 | 149.3 Ų | 149.3 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 153.1 | 175.5 | -70.6 | -173.1 | 177.3 | 86.3 | -4.5 | 111.1 | V288 | R286-V288 PolarHBondContact O-N 2.94Š|
| 287 | P | 54.9 | Low | 45.8 | Very low | 124 Ų | 124 | 156 Ų | 156 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129.9 | -158.8 | -18.2 | 32.7 | 0 | 0 | 0 | 114 | | |
| 288 | V | 50.1 | Low | 46.5 | Very low | 138 Ų | 138 | 160.3 Ų | 160.3 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 131.5 | 156.1 | -78.4 | 0 | 0 | 0 | 0 | 109.7 | R286 | R286-V288 PolarHBondContact O-N 2.94Š|
| 289 | E | 56.8 | Low | 47 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.5 | -170.2 | -64.2 | -167.7 | 162.3 | 0 | 0 | 113.7 | K291 | E289-K291 PolarHBondContact O-N 3.31Å; E289-K291 IonicContact OE2-NZ 3.72Å; E289-K291 PolarHBondContact OE2-NZ 3.13Å |
| 290 | R | 60.8 | Low | 47.1 | Very low | 235 Ų | 235 | 157.5 Ų | 157.5 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -75.4 | 101.6 | -170.6 | -70 | 149.8 | 48.8 | -170.3 | -4.2 | 114 | | |
| 291 | K | 48.1 | Very low | 47.3 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -152.7 | 116.4 | 174.4 | -52.4 | 168.8 | -170.4 | 142.6 | 0 | 110.6 | E289 | E289-K291 PolarHBondContact O-N 3.31Å; E289-K291 IonicContact OE2-NZ 3.72Å; E289-K291 PolarHBondContact OE2-NZ 3.13Å |
| 292 | S | 49.7 | Very low | 47.9 | Very low | 99 Ų | 99 | 162.5 Ų | 162.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | cis | -169.1 | 145.8 | -27.9 | -104.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 293 | Y | 42.8 | Very low | 47.4 | Very low | 225 Ų | 225 | 162.9 Ų | 162.9 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | 64.2 | 155.7 | -179.4 | -63.7 | -80.7 | 0 | 0 | 0 | 116.1 | | |
| 294 | S | 46.7 | Very low | 47.2 | Very low | 114 Ų | 114 | 162.2 Ų | 162.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | cis | -126.7 | 141.4 | 9 | -72.5 | 0 | 0 | 0 | 0 | 113.4 | A296 | S294-A296 PolarHBondContact O-N 3.04Š|
| 295 | L | 43.6 | Very low | 46.9 | Very low | 160 Ų | 160 | 163.9 Ų | 163.9 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -80.2 | 111 | 172.7 | -172.6 | 79.8 | 0 | 0 | 0 | 110.4 | R297 | L295-R297 PolarHBondContact O-N 3.29Š|
| 296 | A | 42.4 | Very low | 46.6 | Very low | 87 Ų | 87 | 163 Ų | 163 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | | | trans | -63 | 116.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S294 R298 | S294-A296 PolarHBondContact O-N 3.04Å; A296-R298 PolarHBondContact O-N 3.37Å |
| 297 | R | 45.6 | Very low | 45.7 | Very low | 236 Ų | 236 | 155.6 Ų | 155.6 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | -69.4 | 98.6 | 175.1 | -75.4 | -171 | 176.2 | -165.7 | -0 | 109.2 | L295 T299 | L295-R297 PolarHBondContact O-N 3.29Å; R297-T299 PolarHBondContact O-N 3.04Å |
| 298 | R | 49.8 | Very low | 44.8 | Very low | 237 Ų | 237 | 155.1 Ų | 155.1 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | | | trans | -53.4 | 121.2 | 171.4 | -71.8 | -175.8 | 174.4 | -169.4 | -2.9 | 109.8 | A296 R300 | A296-R298 PolarHBondContact O-N 3.37Å; R298-R300 PolarHBondContact O-N 3.1Å |
| 299 | T | 44.4 | Very low | 44.6 | Very low | 138 Ų | 138 | 158.2 Ų | 158.2 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | -61.3 | 118.7 | 163.9 | 36.7 | 0 | 0 | 0 | 0 | 108.4 | R297 | R297-T299 PolarHBondContact O-N 3.04Š|
| 300 | R | 42.9 | Very low | 43.5 | Very low | 222 Ų | 222 | 160.1 Ų | 160.1 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | -101.4 | 79.5 | 175.9 | -169.4 | -177.9 | -175.2 | -178.2 | 3.2 | 109.5 | R298 | R298-R300 PolarHBondContact O-N 3.1Š|
| 301 | S | 39.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -57 | 142.4 | 158.6 | 44.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 302 | R | 47.9 | Very low | 41.6 | Very low | 205 Ų | 205 | 151.6 Ų | 151.6 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | | | trans | -116.4 | 119.7 | 169 | -64.3 | 175.3 | 72.3 | 169.4 | 2.1 | 105.9 | | |
| 303 | P | 42.5 | Very low | 41.5 | Very low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -65.2 | 133.9 | 159.9 | 29.3 | -31.5 | 0 | 0 | 0 | 107.5 | | |
| 304 | S | 40.6 | Very low | 41.5 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -96.3 | 126.7 | 173.8 | -69.7 | 0 | 0 | 0 | 0 | 109.4 | L306 | S304-L306 PolarHBondContact O-N 3.4Š|
| 305 | D | 35.5 | Very low | 40.8 | Very low | 154 Ų | 154 | 154.3 Ų | 154.3 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | | | trans | -29.3 | 125.5 | 166.7 | -104.7 | -83.4 | 0 | 0 | 0 | 114.9 | | |
| 306 | L | 41.4 | Very low | 40.7 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | | | trans | -114.6 | 59.8 | 162.1 | -75.4 | 178.9 | 0 | 0 | 0 | 110.2 | S304 S308 | S304-L306 PolarHBondContact O-N 3.4Å; L306-S308 VanDerWaalsContact C-N 3.27Å; L306-S308 PolarHBondContact O-N 2.91Å; L306-S308 VanDerWaalsContact O-N 3.12Å |
| 307 | G | 34.6 | Very low | 40.3 | Very low | 61 Ų | 61 | 153.1 Ų | 153.1 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | | | trans | -81.5 | 57.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | K309 | G307-K309 PolarHBondContact O-N 3.35Å; G307-K309 VanDerWaalsContact O-N 3.13Å |
| 308 | S | 36 | Very low | 39.8 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | -72.8 | 100.7 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | L306 | L306-S308 VanDerWaalsContact C-N 3.27Å; L306-S308 PolarHBondContact O-N 2.91Å; L306-S308 VanDerWaalsContact O-N 3.12Å |
| 309 | K | 45.2 | Very low | 38.8 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | | | trans | -66.9 | 144.6 | 179.4 | -69.2 | -171.8 | 175.9 | -173.8 | 0 | 112.1 | G307 | G307-K309 PolarHBondContact O-N 3.35Å; G307-K309 VanDerWaalsContact O-N 3.13Å |
| 310 | Q | 33 | Very low | 38.1 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -59.7 | 147.5 | 169.2 | -62.4 | 150.5 | -92.1 | 0 | 0 | 111.1 | | |
| 311 | A | 32.6 | Very low | 37.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | | | trans | -130.5 | 124.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 312 | S | 38 | Very low | 37.1 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | -160.1 | 99.7 | -175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 313 | V | 46.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | | | trans | -175.9 | 112.8 | 162.5 | 134 | 0 | 0 | 0 | 0 | 103 | | |
| 314 | E | 43.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | | | | 82.7 | 106.6 | 64.8 | -174.5 | -179.7 | -174.3 | 0 | 0 | 112.7 | | |
| 315 | E | 32.1 | Very low | 36.1 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | | | trans | -162.9 | 163.8 | 133.2 | -167.7 | 152.3 | 87.6 | 0 | 0 | 108.3 | | |
| 316 | S | 39.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -151.7 | 130.1 | -173 | -71.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 317 | A | 34.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -169 | 158.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 318 | A | 34.8 | Very low | 35 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | cis | -170.6 | 126.6 | -37.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 319 | G | 29 | Very low | 34.7 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | | | trans | 73.1 | 153 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 320 | G | 29.1 | Very low | 34 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | cis | -177 | 164 | -4.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 321 | N | 29.9 | Very low | 34.3 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | cis | -142.8 | 174.8 | 5.8 | -99.4 | 16 | 0 | 0 | 0 | 111.3 | | |
| 322 | S | 32.4 | Very low | 34.2 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -56.8 | 142.7 | -176.4 | 53.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 323 | S | 29.5 | Very low | 33.9 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | | -164.1 | 129.9 | 124.9 | -80.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 324 | S | 32.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | | | trans | -153.8 | 156.5 | 174.8 | -81.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 325 | P | 46.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | cis | -122.6 | -164.7 | 25.2 | 43.1 | -26.5 | 0 | 0 | 0 | 112 | | |
| 326 | S | 28.2 | Very low | 32.8 | Very low | 97 Ų | 97 | 115.1 Ų | 115.1 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | | | cis | -158.2 | 164.3 | 18.6 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 327 | S | 30.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | trans | 39.9 | 135.3 | 149.7 | 63.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 328 | G | 30.1 | Very low | 32.5 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | 132.9 | 111.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 329 | G | 29.6 | Very low | 32.3 | Very low | 81 Ų | 81 | 119.2 Ų | 119.2 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | -86 | 167 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 330 | G | 31.6 | Very low | 32.4 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | 88.3 | 104.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 331 | K | 39.1 | Very low | 32.5 | Very low | 213 Ų | 213 | 118.9 Ų | 118.9 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | | | trans | 47.3 | 132.7 | 143.4 | 74.2 | 178.4 | -166.2 | -60.9 | 0 | 120.4 | | |
| 332 | G | 30.3 | Very low | 32.8 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | trans | 161.8 | 102 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 333 | W | 32.2 | Very low | 33 | Very low | 263 Ų | 263 | 119.8 Ų | 119.8 | 100% | 0.996 | 82% | 0.817 | S | S | * | * | | | trans | -113.5 | 99.6 | 159.4 | -90.3 | 94 | 0 | 0 | 0 | 108.8 | | |
| 334 | T | 36.9 | Very low | 33.1 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -154.5 | 106.8 | 164.3 | 7.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 335 | G | 31.4 | Very low | 33.4 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | trans | -97.8 | 124.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 336 | G | 31.5 | Very low | 33 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 173.4 | 93.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 337 | S | 33.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -62.6 | 160.7 | 170.6 | -138.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 338 | S | 33.5 | Very low | 34.7 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 61% | 0.608 | 82% | 0.823 | S | S | * | * | | | cis | -163 | 158.7 | 27.9 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 339 | E | 32 | Very low | 35.5 | Very low | 197 Ų | 197 | 115.1 Ų | 115.1 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | 59.3 | 138.1 | 162.3 | -63.8 | 179.1 | 118.9 | 0 | 0 | 118.9 | | |
| 340 | G | 30.5 | Very low | 36.6 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | 175.5 | 105 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 341 | G | 30.5 | Very low | 37.9 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 75.9 | 166.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 342 | S | 36.2 | Very low | 39.1 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | cis | -165.1 | 133.5 | -12.3 | -88.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 343 | Q | 37.7 | Very low | 41 | Very low | 183 Ų | 183 | 112.7 Ų | 112.7 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | trans | 67 | 149 | 165.8 | -56.5 | 164.6 | 20.4 | 0 | 0 | 114.7 | | |
| 344 | T | 32 | Very low | 43.3 | Very low | 134 Ų | 134 | 105.4 Ų | 105.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | cis | -147.8 | -175.4 | 1.7 | -11 | 0 | 0 | 0 | 0 | 110.7 | | |
| 345 | A | 38.6 | Very low | 45.3 | Very low | 87 Ų | 87 | 103.8 Ų | 103.8 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | | | trans | -50.6 | 160.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 346 | T | 36.4 | Very low | 47.8 | Very low | 138 Ų | 138 | 106.3 Ų | 106.3 | 85% | 0.847 | 72% | 0.723 | S | S | * | * | | | cis | -158.9 | 158 | 46.5 | -47.9 | 0 | 0 | 0 | 0 | 112 | | |
| 347 | G | 45.2 | Very low | 50.1 | Low | 79 Ų | 79 | 108.8 Ų | 108.8 | 81% | 0.814 | 71% | 0.714 | S | S | * | * | | | trans | -80.4 | 147 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 348 | G | 49.3 | Very low | 52.3 | Low | 88 Ų | 88 | 106.2 Ų | 106.2 | 91% | 0.907 | 69% | 0.693 | S | S | * | * | | | trans | 130 | 79.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 349 | G | 48.3 | Very low | 54.4 | Low | 37 Ų | 37 | 104.8 Ų | 104.8 | 38% | 0.381 | 69% | 0.686 | S | S | . | * | | | trans | -142.7 | -14 | -171.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | V351 A352 E353 | G349-V351 PolarHBondContact O-N 3.03Å; G349-A352 PolarHBondContact O-N 3.01Å; G349-E353 PolarHBondContact O-N 3.34Å |
| 350 | G | 52.6 | Low | 56.5 | Low | 66 Ų | 66 | 104 Ų | 104 | 68% | 0.68 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 351 | V | 59.6 | Low | 58.7 | Low | 128 Ų | 128 | 105.1 Ų | 105.1 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -29.7 | 169.6 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | G349 D355 | G349-V351 PolarHBondContact O-N 3.03Å; V351-D355 PolarHBondContact O-N 3.32Å; V351-D355 VanDerWaalsContact O-N 3.13Å |
| 352 | A | 63.1 | Low | 60.7 | Low | 53 Ų | 53 | 105.6 Ų | 105.6 | 44% | 0.438 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -78.9 | -32.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G349 D355 Q356 | G349-A352 PolarHBondContact O-N 3.01Å; A352-D355 PolarHBondContact O-N 3.43Å; A352-Q356 WeakPolarHBondContact O-CG 3.47Å; A352-Q356 PolarHBondContact O-N 3.46Å |
| 353 | E | 71.1 | Confident | 62.3 | Low | 138 Ų | 138 | 106.2 Ų | 106.2 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 171.5 | -172.4 | 171 | -164.5 | 0 | 0 | 110.8 | G349 Q356 E357 | G349-E353 PolarHBondContact O-N 3.34Å; E353-Q356 PolarHBondContact O-N 3.49Å; E353-E357 PolarHBondContact O-N 3.41Å |
| 354 | L | 78.9 | Confident | 63.7 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -40.3 | 175.9 | -163.6 | 77.2 | 0 | 0 | 0 | 112.3 | E357 V358 | L354-E357 PolarHBondContact O-N 2.81Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 3.42Å |
| 355 | D | 79.9 | Confident | 64.8 | Low | 110 Ų | 110 | 102.9 Ų | 102.9 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -39.4 | 174.9 | -171.5 | 60.9 | 0 | 0 | 0 | 111.9 | V351 A352 V358 A359 | V351-D355 PolarHBondContact O-N 3.32Å; V351-D355 VanDerWaalsContact O-N 3.13Å; A352-D355 PolarHBondContact O-N 3.43Å; D355-V358 PolarHBondContact O-N 2.91Å; D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 3.46Å |
| 356 | Q | 84 | Confident | 65.5 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.5 | -37.9 | 172.2 | -74 | -176.9 | 24.2 | 0 | 0 | 112.7 | A352 E353 A359 R360 | A352-Q356 WeakPolarHBondContact O-CG 3.47Å; A352-Q356 PolarHBondContact O-N 3.46Å; E353-Q356 PolarHBondContact O-N 3.49Å; Q356-A359 PolarHBondContact O-N 2.8Å; Q356-R360 VanDerWaalsContact O-CB 3.23Å; Q356-R360 WeakPolarHBondContact O-CB 3.21Å; Q356-R360 PolarHBondContact O-N 3.22Å |
| 357 | E | 79.9 | Confident | 66.3 | Low | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.3 | -41.4 | 170.9 | -73.8 | -149.4 | 124.4 | 0 | 0 | 112.1 | E353 L354 R360 L361 | E353-E357 PolarHBondContact O-N 3.41Å; L354-E357 PolarHBondContact O-N 2.81Å; E357-R360 PolarHBondContact O-N 2.94Å; E357-L361 VanDerWaalsContact O-CB 3.23Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 3.48Å |
| 358 | V | 79.5 | Confident | 66.7 | Low | 69 Ų | 69 | 110.4 Ų | 110.4 | 42% | 0.418 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.2 | -38.7 | 176.5 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | L354 D355 L361 N362 | L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 3.42Å; D355-V358 PolarHBondContact O-N 2.91Å; V358-L361 PolarHBondContact O-N 3.22Å; V358-N362 WeakPolarHBondContact O-CB 3.36Å; V358-N362 PolarHBondContact O-N 3.28Å; V358-N362 PolarHBondContact O-ND2 2.97Å |
| 359 | A | 77.5 | Confident | 66.9 | Low | 56 Ų | 56 | 110.2 Ų | 110.2 | 46% | 0.463 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.4 | -45.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D355 Q356 L361 N362 L363 | D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 3.46Å; Q356-A359 PolarHBondContact O-N 2.8Å; A359-L361 PolarHBondContact O-N 3.19Å; A359-N362 PolarHBondContact O-N 2.99Å; A359-L363 PolarHBondContact O-N 2.91Å |
| 360 | R | 76.7 | Confident | 66.5 | Low | 181 Ų | 181 | 116.3 Ų | 116.3 | 68% | 0.683 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.5 | -41.4 | 174 | 176.7 | 176.6 | 162.9 | 76.9 | 1.9 | 112 | Q356 E357 L363 V364 | Q356-R360 VanDerWaalsContact O-CB 3.23Å; Q356-R360 WeakPolarHBondContact O-CB 3.21Å; Q356-R360 PolarHBondContact O-N 3.22Å; E357-R360 PolarHBondContact O-N 2.94Å; R360-L363 PolarHBondContact O-N 3.42Å; R360-V364 WeakPolarHBondContact O-CG2 3.37Å; R360-V364 PolarHBondContact O-N 3.36Å |
| 361 | L | 76.3 | Confident | 65.6 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.9 | -36.6 | 176.6 | -175.9 | 63 | 0 | 0 | 0 | 112 | E357 V358 A359 V364 R365 | E357-L361 VanDerWaalsContact O-CB 3.23Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 3.48Å; V358-L361 PolarHBondContact O-N 3.22Å; A359-L361 PolarHBondContact O-N 3.19Å; L361-V364 PolarHBondContact O-N 3.28Å; L361-R365 WeakPolarHBondContact O-CG 3.1Å; L361-R365 PolarHBondContact O-N 3.34Å |
| 362 | N | 72 | Confident | 64.9 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 44% | 0.444 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.6 | -42.5 | 172.2 | -87.1 | -61.5 | 0 | 0 | 0 | 112.1 | V358 A359 V364 R365 Q366 | V358-N362 WeakPolarHBondContact O-CB 3.36Å; V358-N362 PolarHBondContact O-N 3.28Å; V358-N362 PolarHBondContact O-ND2 2.97Å; A359-N362 PolarHBondContact O-N 2.99Å; N362-V364 VanDerWaalsContact C-N 3.31Å; N362-V364 PolarHBondContact O-N 3.46Å; N362-R365 WeakPolarHBondContact O-CB 3.42Å; N362-R365 PolarHBondContact O-N 3.11Å; N362-R365 VanDerWaalsContact O-N 3.12Å; N362-Q366 PolarHBondContact O-N 3.17Å |
| 363 | L | 70.2 | Confident | 63.9 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.7 | -40.4 | 175.6 | -170.4 | 63.9 | 0 | 0 | 0 | 111.6 | A359 R360 Q366 T367 | A359-L363 PolarHBondContact O-N 2.91Å; R360-L363 PolarHBondContact O-N 3.42Å; L363-Q366 PolarHBondContact O-N 3.39Å; L363-T367 PolarHBondContact O-N 2.85Å |
| 364 | V | 66.2 | Low | 62.6 | Low | 76 Ų | 76 | 119.9 Ų | 119.9 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.6 | -31.8 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | R360 L361 N362 T367 | R360-V364 WeakPolarHBondContact O-CG2 3.37Å; R360-V364 PolarHBondContact O-N 3.36Å; L361-V364 PolarHBondContact O-N 3.28Å; N362-V364 VanDerWaalsContact C-N 3.31Å; N362-V364 PolarHBondContact O-N 3.46Å; V364-T367 PolarHBondContact O-OG1 3.39Å |
| 365 | R | 56.2 | Low | 60.8 | Low | 171 Ų | 171 | 124.8 Ų | 124.8 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.5 | -37.9 | 171.8 | -80.9 | -178.5 | 173.3 | -87.3 | 1.2 | 112.3 | L361 N362 T367 W368 | L361-R365 WeakPolarHBondContact O-CG 3.1Å; L361-R365 PolarHBondContact O-N 3.34Å; N362-R365 WeakPolarHBondContact O-CB 3.42Å; N362-R365 PolarHBondContact O-N 3.11Å; N362-R365 VanDerWaalsContact O-N 3.12Å; R365-T367 VanDerWaalsContact C-N 3.31Å; R365-T367 PolarHBondContact O-N 2.75Å; R365-W368 PolarHBondContact O-N 3.46Å; R365-W368 VanDerWaalsContact O-N 3.15Å |
| 366 | Q | 53.5 | Low | 58.9 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 55% | 0.547 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.4 | -29.2 | -179 | -71.5 | -168.4 | 26.2 | 0 | 0 | 113.5 | N362 L363 W368 S369 | N362-Q366 PolarHBondContact O-N 3.17Å; L363-Q366 PolarHBondContact O-N 3.39Å; Q366-W368 PolarHBondContact O-N 3.3Å; Q366-S369 PolarHBondContact O-N 3.14Å; Q366-S369 VanDerWaalsContact O-N 3.13Å; Q366-S369 PolarHBondContact O-OG 3.48Å |
| 367 | T | 53.3 | Low | 56.6 | Low | 110 Ų | 110 | 128.7 Ų | 128.7 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -18 | 175.1 | 63 | 0 | 0 | 0 | 0 | 113.4 | L363 V364 R365 | L363-T367 PolarHBondContact O-N 2.85Å; V364-T367 PolarHBondContact O-OG1 3.39Å; R365-T367 VanDerWaalsContact C-N 3.31Å; R365-T367 PolarHBondContact O-N 2.75Å |
| 368 | W | 52.4 | Low | 55.1 | Low | 235 Ų | 235 | 128.7 Ų | 128.7 | 89% | 0.89 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -0.3 | 173 | -81.6 | 79.5 | 0 | 0 | 0 | 113.9 | R365 Q366 | R365-W368 PolarHBondContact O-N 3.46Å; R365-W368 VanDerWaalsContact O-N 3.15Å; Q366-W368 PolarHBondContact O-N 3.3Å |
| 369 | S | 53.5 | Low | 53.8 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -130.4 | 47.4 | -175.5 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | Q366 | Q366-S369 PolarHBondContact O-N 3.14Å; Q366-S369 VanDerWaalsContact O-N 3.13Å; Q366-S369 PolarHBondContact O-OG 3.48Å |
| 370 | Q | 40.2 | Very low | 52.2 | Low | 165 Ų | 165 | 137.3 Ų | 137.3 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | | | trans | -128.2 | 102.5 | 163 | -70.4 | -161.3 | 24.4 | 0 | 0 | 112 | | |
| 371 | S | 33.7 | Very low | 50.8 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | -140.1 | 83.7 | 164.7 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | T373 | S371-T373 PolarHBondContact O-N 2.99Š|
| 372 | P | 44.7 | Very low | 49 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | | | trans | -64.8 | 132.3 | 176.5 | 27.4 | -33.5 | 0 | 0 | 0 | 110.3 | S374 | P372-S374 PolarHBondContact O-N 3.3Š|
| 373 | T | 43.2 | Very low | 47.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | | | trans | -77 | 88.3 | -176.6 | 44.3 | 0 | 0 | 0 | 0 | 111.8 | S371 Y375 | S371-T373 PolarHBondContact O-N 2.99Å; T373-Y375 VanDerWaalsContact C-N 3.33Å; T373-Y375 PolarHBondContact O-N 3.12Å |
| 374 | S | 42.8 | Very low | 46.5 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | -69.6 | 79.6 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | P372 V376 | P372-S374 PolarHBondContact O-N 3.3Å; S374-V376 PolarHBondContact O-N 3.15Å |
| 375 | Y | 41.3 | Very low | 45.3 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -69.9 | 116.1 | 156.1 | -80.5 | -91.8 | 0 | 0 | 0 | 109.6 | T373 | T373-Y375 VanDerWaalsContact C-N 3.33Å; T373-Y375 PolarHBondContact O-N 3.12Å |
| 376 | V | 40.1 | Very low | 45 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -173.4 | 150.9 | 147.6 | 132.2 | 0 | 0 | 0 | 0 | 111.9 | S374 | S374-V376 PolarHBondContact O-N 3.15Š|
| 377 | R | 35 | Very low | 44.5 | Very low | 193 Ų | 193 | 144 Ų | 144 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | 67.2 | 93.5 | 165.3 | -172.6 | 157.5 | -89.8 | -179.2 | -5.7 | 118.2 | E379 | R377-E379 HydrophobicContact CG-CG 3.79Å; R377-E379 IonicContact CZ-OE1 2.7Å; R377-E379 IonicContact NE-OE1 3.75Å; R377-E379 PolarHBondContact NE-OE1 2.98Å; R377-E379 IonicContact NH2-OE1 2.67Å; R377-E379 PolarHBondContact NH2-OE1 2.91Å |
| 378 | S | 48.1 | Very low | 43.9 | Very low | 129 Ų | 129 | 147 Ų | 147 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -112.7 | 64.2 | 165.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 379 | E | 52.8 | Low | 43.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 59% | 0.589 | 78% | 0.776 | S | S | * | * | | | trans | -159.3 | 64.4 | -171.1 | 50.2 | 170.3 | -161.5 | 0 | 0 | 114.6 | R377 | R377-E379 HydrophobicContact CG-CG 3.79Å; R377-E379 IonicContact CZ-OE1 2.7Å; R377-E379 IonicContact NE-OE1 3.75Å; R377-E379 PolarHBondContact NE-OE1 2.98Å; R377-E379 IonicContact NH2-OE1 2.67Å; R377-E379 PolarHBondContact NH2-OE1 2.91Å |
| 380 | M | 43.8 | Very low | 42.7 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | -141.2 | 120.5 | 153.9 | -81.1 | -55.4 | -66.2 | 0 | 0 | 110.2 | | |
| 381 | R | 46.6 | Very low | 42.8 | Very low | 245 Ų | 245 | 141.1 Ų | 141.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | | | trans | -82.8 | 143.2 | 168.9 | -68.5 | 175.9 | 172 | 177.7 | -3.1 | 109.3 | | |
| 382 | G | 39.2 | Very low | 43.5 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | trans | 155.1 | 94.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 383 | L | 40.5 | Very low | 43.8 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | 71.4 | 159.7 | 155.3 | -53 | -178.8 | 0 | 0 | 0 | 117.5 | | |
| 384 | P | 48.3 | Very low | 44.3 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -110.7 | 146.1 | -153.1 | 38.7 | -30.9 | 0 | 0 | 0 | 115.9 | | |
| 385 | N | 41.5 | Very low | 44.6 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -80.5 | 133.7 | 165.3 | -78 | -1.5 | 0 | 0 | 0 | 111.3 | | |
| 386 | P | 51.3 | Low | 44.6 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -80.3 | 136.2 | 168.3 | 32 | -32.4 | 0 | 0 | 0 | 112 | | |
| 387 | I | 41.8 | Very low | 44.9 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | trans | 52.5 | 79.7 | 156.3 | -43.3 | 175.8 | 0 | 0 | 0 | 116 | M389 | I387-M389 HydrophobicContact CG2-CE 4.41Å; I387-M389 HydrophobicContact CG2-CG 4.17Å; I387-M389 PolarHBondContact O-N 3.33Å |
| 388 | H | 40.4 | Very low | 45.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -76.4 | 112.1 | 146.8 | -92.4 | -93.2 | 0 | 0 | 0 | 109 | A390 | H388-A390 PolarHBondContact O-N 2.85Å; H388-A390 VanDerWaalsContact O-N 3.08Å |
| 389 | M | 39.7 | Very low | 45.6 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | -67.4 | 102.7 | 168.5 | -82.6 | -68.8 | -172.4 | 0 | 0 | 109.8 | I387 G391 | I387-M389 HydrophobicContact CG2-CE 4.41Å; I387-M389 HydrophobicContact CG2-CG 4.17Å; I387-M389 PolarHBondContact O-N 3.33Å; M389-G391 PolarHBondContact O-N 2.96Å; M389-G391 VanDerWaalsContact O-N 3.1Å |
| 390 | A | 42.5 | Very low | 45.8 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | -75 | 95.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | H388 G392 | H388-A390 PolarHBondContact O-N 2.85Å; H388-A390 VanDerWaalsContact O-N 3.08Å; A390-G392 PolarHBondContact O-N 3.44Å |
| 391 | G | 42.4 | Very low | 46.1 | Very low | 88 Ų | 88 | 136 Ų | 136 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 115.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | M389 | M389-G391 PolarHBondContact O-N 2.96Å; M389-G391 VanDerWaalsContact O-N 3.1Å |
| 392 | G | 46.8 | Very low | 46.1 | Very low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | trans | -132.8 | 137.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A390 | A390-G392 PolarHBondContact O-N 3.44Š|
| 393 | P | 51.9 | Low | 46.8 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -66.6 | 152.8 | 176.7 | 28.8 | -34.7 | 0 | 0 | 0 | 111.1 | Q395 | P393-Q395 PolarHBondContact O-N 2.92Š|
| 394 | P | 53.2 | Low | 47.3 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | | | trans | -60.6 | 133.5 | -177 | 24.7 | -34.2 | 0 | 0 | 0 | 111.8 | Y396 | P394-Y396 HydrophobicContact CG-CE2 4.13Å; P394-Y396 WeakPolarHBondContact O-CD2 3.45Å; P394-Y396 PolarHBondContact O-N 3.3Å |
| 395 | Q | 49.9 | Very low | 47 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | trans | -72 | 96.1 | 175.9 | -68.3 | -74.6 | -66.1 | 0 | 0 | 109.9 | P393 | P393-Q395 PolarHBondContact O-N 2.92Š|
| 396 | Y | 41.3 | Very low | 47.5 | Very low | 198 Ų | 198 | 127.9 Ų | 127.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 137.4 | 167.7 | -60.3 | -78.6 | 0 | 0 | 0 | 110.1 | P394 | P394-Y396 HydrophobicContact CG-CE2 4.13Å; P394-Y396 WeakPolarHBondContact O-CD2 3.45Å; P394-Y396 PolarHBondContact O-N 3.3Å |
| 397 | S | 46.7 | Very low | 47.5 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.9 | -179.8 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | M399 | S397-M399 PolarHBondContact O-N 3.4Š|
| 398 | N | 43.5 | Very low | 47.7 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 125.3 | 178.4 | -167.2 | -93.4 | 0 | 0 | 0 | 112.3 | E400 | N398-E400 PolarHBondContact ND2-OE2 3.21Š|
| 399 | M | 53.8 | Low | 48 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | | | trans | -117.2 | -4.2 | -175.3 | -164.1 | 163.3 | 63.5 | 0 | 0 | 113 | S397 E401 M402 | S397-M399 PolarHBondContact O-N 3.4Å; M399-E401 PolarHBondContact O-N 3.14Å; M399-E401 VanDerWaalsContact O-N 3.12Å; M399-M402 HydrophobicContact CG-CE 3.82Å; M399-M402 HydrophobicContact CG-CG 4.22Å; M399-M402 HydrophobicContact CG-SD 3.66Å; M399-M402 PolarHBondContact O-N 3.4Å; M399-M402 HydrophobicContact SD-CE 4.31Å; M399-M402 HydrophobicContact SD-SD 4.15Å |
| 400 | E | 57.5 | Low | 48.6 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -52.5 | -31.3 | 178.6 | -86.3 | 56.5 | -138.6 | 0 | 0 | 114.5 | N398 M402 S403 | N398-E400 PolarHBondContact ND2-OE2 3.21Å; E400-M402 PolarHBondContact O-N 3.29Å; E400-M402 VanDerWaalsContact O-N 3.1Å; E400-S403 PolarHBondContact O-N 2.92Å; E400-S403 VanDerWaalsContact O-N 3.11Å |
| 401 | E | 49.4 | Very low | 48.9 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -61.6 | -21.6 | -178.2 | -164.3 | 171.5 | 158.6 | 0 | 0 | 112.9 | M399 S403 | M399-E401 PolarHBondContact O-N 3.14Å; M399-E401 VanDerWaalsContact O-N 3.12Å; E401-S403 PolarHBondContact O-N 3.41Å |
| 402 | M | 46.6 | Very low | 48.8 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -72.8 | -10.1 | 178.2 | -56.8 | -171.5 | -172.3 | 0 | 0 | 114.2 | M399 E400 | M399-M402 HydrophobicContact CG-CE 3.82Å; M399-M402 HydrophobicContact CG-CG 4.22Å; M399-M402 HydrophobicContact CG-SD 3.66Å; M399-M402 PolarHBondContact O-N 3.4Å; M399-M402 HydrophobicContact SD-CE 4.31Å; M399-M402 HydrophobicContact SD-SD 4.15Å; E400-M402 PolarHBondContact O-N 3.29Å; E400-M402 VanDerWaalsContact O-N 3.1Å |
| 403 | S | 54.5 | Low | 49 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -107.3 | 6.4 | -169 | -150.9 | 0 | 0 | 0 | 0 | 115.1 | E400 E401 G405 | E400-S403 PolarHBondContact O-N 2.92Å; E400-S403 VanDerWaalsContact O-N 3.11Å; E401-S403 PolarHBondContact O-N 3.41Å; S403-G405 PolarHBondContact O-N 3.12Å |
| 404 | V | 50.6 | Low | 49.2 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | | | trans | -80.4 | 65.6 | -178.7 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 405 | G | 41.3 | Very low | 49.1 | Very low | 63 Ų | 63 | 147.9 Ų | 147.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -163.5 | 20.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | S403 N407 | S403-G405 PolarHBondContact O-N 3.12Å; G405-N407 PolarHBondContact O-N 2.81Å |
| 406 | S | 53.1 | Low | 49 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -70.1 | 67.7 | -176.8 | -71.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 407 | N | 49.8 | Very low | 49.4 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -139.1 | 101.7 | 166.8 | -93.7 | -59.3 | 0 | 0 | 0 | 110.6 | G405 | G405-N407 PolarHBondContact O-N 2.81Š|
| 408 | R | 47.7 | Very low | 49.6 | Very low | 227 Ų | 227 | 154.2 Ų | 154.2 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | 54.9 | 70.4 | 174.8 | -163.1 | -178 | -170.4 | 170.1 | 4.6 | 114.3 | K410 | R408-K410 PolarHBondContact O-N 2.93Š|
| 409 | A | 46 | Very low | 50 | Low | 100 Ų | 100 | 152.6 Ų | 152.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -52.4 | 107.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R411 | A409-R411 PolarHBondContact O-N 3.07Š|
| 410 | K | 51.6 | Low | 50.4 | Low | 172 Ų | 172 | 152.8 Ų | 152.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -66.2 | 118 | 169 | -71.4 | -175.9 | 179 | -178.1 | 0 | 106.4 | R408 Y412 | R408-K410 PolarHBondContact O-N 2.93Å; K410-Y412 PolarHBondContact O-N 3.38Å |
| 411 | R | 48.3 | Very low | 50.5 | Low | 248 Ų | 248 | 151.8 Ų | 151.8 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | | | trans | -56 | 106.6 | 175.1 | -63.8 | 177.3 | -175.6 | -107.4 | 2.4 | 108 | A409 S413 | A409-R411 PolarHBondContact O-N 3.07Å; R411-S413 PolarHBondContact O-N 2.91Å |
| 412 | Y | 41.5 | Very low | 51 | Low | 225 Ų | 225 | 151.6 Ų | 151.6 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | -60.9 | 134 | 164.8 | -75.2 | -83.2 | 0 | 0 | 0 | 107.3 | K410 S414 | K410-Y412 PolarHBondContact O-N 3.38Å; Y412-S414 PolarHBondContact O-N 2.97Å |
| 413 | S | 51 | Low | 51.5 | Low | 77 Ų | 77 | 149.6 Ų | 149.6 | 54% | 0.538 | 78% | 0.783 | S | S | . | * | | | trans | -61.7 | 127.2 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | R411 Q415 | R411-S413 PolarHBondContact O-N 2.91Å; S413-Q415 PolarHBondContact O-N 3.14Å; S413-Q415 VanDerWaalsContact O-N 3.1Å; S413-Q415 VanDerWaalsContact OG-CB 3.22Å; S413-Q415 WeakPolarHBondContact OG-CB 3.4Å; S413-Q415 PolarHBondContact OG-N 3.44Å |
| 414 | S | 56.7 | Low | 51.6 | Low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -60.7 | -16.6 | 174.5 | 46 | 0 | 0 | 0 | 0 | 112.7 | Y412 R416 Q417 | Y412-S414 PolarHBondContact O-N 2.97Å; S414-R416 PolarHBondContact O-N 2.99Å; S414-Q417 PolarHBondContact O-N 3.05Å |
| 415 | Q | 50.8 | Low | 52.1 | Low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -60.4 | -1.5 | 178 | -158.3 | 173.8 | 16.3 | 0 | 0 | 115.2 | S413 | S413-Q415 PolarHBondContact O-N 3.14Å; S413-Q415 VanDerWaalsContact O-N 3.1Å; S413-Q415 VanDerWaalsContact OG-CB 3.22Å; S413-Q415 WeakPolarHBondContact OG-CB 3.4Å; S413-Q415 PolarHBondContact OG-N 3.44Å |
| 416 | R | 47.8 | Very low | 52.7 | Low | 232 Ų | 232 | 150.6 Ų | 150.6 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -134.3 | 28.5 | 170.3 | -65.5 | -166.3 | -178.3 | -79.3 | 3.1 | 114.3 | S414 R418 | S414-R416 PolarHBondContact O-N 2.99Å; R416-R418 PolarHBondContact O-N 3.13Å |
| 417 | Q | 49 | Very low | 52.6 | Low | 169 Ų | 169 | 153.5 Ų | 153.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.2 | 157.3 | -71.3 | -168.2 | -23.1 | 0 | 0 | 108.7 | S414 | S414-Q417 PolarHBondContact O-N 3.05Š|
| 418 | R | 52.1 | Low | 52.4 | Low | 233 Ų | 233 | 154.9 Ų | 154.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 150.9 | 163.3 | -69.5 | -176.7 | 172.7 | -161.7 | -3.9 | 108 | R416 V420 | R416-R418 PolarHBondContact O-N 3.13Å; R418-V420 PolarHBondContact O-N 3.13Å |
| 419 | A | 51.1 | Low | 52.2 | Low | 98 Ų | 98 | 151.6 Ų | 151.6 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 420 | V | 61.4 | Low | 52 | Low | 132 Ų | 132 | 149.6 Ų | 149.6 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66 | 133.5 | 168.5 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | R418 E422 | R418-V420 PolarHBondContact O-N 3.13Å; V420-E422 PolarHBondContact O-N 3.48Å |
| 421 | P | 59.7 | Low | 51.8 | Low | 113 Ų | 113 | 148.6 Ų | 148.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 130.4 | 173.1 | -24.9 | 34.7 | 0 | 0 | 0 | 110.1 | | |
| 422 | E | 60.3 | Low | 51.7 | Low | 170 Ų | 170 | 145 Ų | 145 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 132.3 | 175.3 | -173.9 | 176.8 | 175 | 0 | 0 | 109.5 | V420 A424 | V420-E422 PolarHBondContact O-N 3.48Å; E422-A424 PolarHBondContact O-N 3.13Å |
| 423 | P | 57.6 | Low | 51.9 | Low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -65.2 | 110.3 | 173.7 | 27.4 | -32.4 | 0 | 0 | 0 | 108 | | |
| 424 | A | 56.3 | Low | 51.9 | Low | 84 Ų | 84 | 144.8 Ų | 144.8 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | -52.7 | 141.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E422 | E422-A424 PolarHBondContact O-N 3.13Š|
| 425 | P | 60.2 | Low | 51.5 | Low | 104 Ų | 104 | 143.1 Ų | 143.1 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | | | trans | -56.9 | 144.4 | -179.7 | 24.2 | -34.4 | 0 | 0 | 0 | 110.3 | M427 | P425-M427 PolarHBondContact O-N 3.3Š|
| 426 | P | 54.8 | Low | 50.9 | Low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -61.2 | 112.1 | -175.9 | 24.8 | -33.6 | 0 | 0 | 0 | 109.8 | H428 | P426-H428 PolarHBondContact O-N 3.1Å; P426-H428 VanDerWaalsContact O-N 3.09Å |
| 427 | M | 51.2 | Low | 50.4 | Low | 175 Ų | 175 | 143.3 Ų | 143.3 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | | | trans | -54.5 | 118 | 174.1 | -74.2 | -65.9 | -66.7 | 0 | 0 | 108.6 | P425 L429 | P425-M427 PolarHBondContact O-N 3.3Å; M427-L429 PolarHBondContact O-N 3.46Å |
| 428 | H | 44.6 | Very low | 49.9 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | | | trans | -66.5 | 99.6 | -178.2 | -159.1 | -49.5 | 0 | 0 | 0 | 108.3 | P426 G430 | P426-H428 PolarHBondContact O-N 3.1Å; P426-H428 VanDerWaalsContact O-N 3.09Å; H428-G430 PolarHBondContact O-N 3.24Å |
| 429 | L | 44.4 | Very low | 49.7 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -70 | 95 | -177.1 | -163.9 | 74.5 | 0 | 0 | 0 | 108.3 | M427 V431 | M427-L429 PolarHBondContact O-N 3.46Å; L429-V431 PolarHBondContact O-N 2.9Å |
| 430 | G | 42.7 | Very low | 49.8 | Very low | 57 Ų | 57 | 142.6 Ų | 142.6 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | trans | -60.3 | 131.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | H428 M432 | H428-G430 PolarHBondContact O-N 3.24Å; G430-M432 PolarHBondContact O-N 3.39Å |
| 431 | V | 46 | Very low | 49 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 92% | 0.915 | 78% | 0.782 | S | S | * | * | | | trans | -72.3 | 81.8 | 169.7 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | L429 | L429-V431 PolarHBondContact O-N 2.9Š|
| 432 | M | 46.9 | Very low | 48.5 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | | | trans | -77.4 | 124.6 | 171.7 | -168.3 | 83.4 | 89.3 | 0 | 0 | 108.5 | G430 | G430-M432 PolarHBondContact O-N 3.39Š|
| 433 | E | 46.2 | Very low | 47.6 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -65.8 | 137.9 | -176.9 | -165.6 | 170.3 | -160.4 | 0 | 0 | 111.7 | G435 | E433-G435 PolarHBondContact O-N 3.41Š|
| 434 | P | 50.6 | Low | 46.6 | Very low | 135 Ų | 135 | 147 Ų | 147 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -78.2 | 83.3 | -172.8 | 31.8 | -35.9 | 0 | 0 | 0 | 111.8 | | |
| 435 | G | 48.8 | Very low | 45.9 | Very low | 61 Ų | 61 | 144.9 Ų | 144.9 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -153.1 | 4.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | E433 | E433-G435 PolarHBondContact O-N 3.41Š|
| 436 | H | 36.9 | Very low | 45.6 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -117.2 | 121 | -174.4 | -68 | 92.8 | 0 | 0 | 0 | 113.7 | | |
| 437 | Y | 38.3 | Very low | 44.9 | Very low | 224 Ų | 224 | 146.3 Ų | 146.3 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | trans | -81.2 | 148 | -172 | -136.5 | -111.8 | 0 | 0 | 0 | 111.6 | | |
| 438 | Y | 38.9 | Very low | 44.5 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | 6.7 | 113 | 163.5 | -99.1 | -96 | 0 | 0 | 0 | 119.3 | | |
| 439 | E | 48 | Very low | 44.5 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | | | trans | -138.2 | 124.2 | 146.3 | -171.4 | 173.4 | -133 | 0 | 0 | 110.4 | M441 | E439-M441 HydrophobicContact CG-CE 4.47Å; E439-M441 PolarHBondContact O-N 2.82Å; E439-M441 VanDerWaalsContact O-N 3.14Å; E439-M441 VanDerWaalsContact OE2-CE 3.27Å; E439-M441 WeakPolarHBondContact OE2-CE 3.44Å |
| 440 | P | 52.2 | Low | 44.5 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | | | trans | -86 | 81.4 | -177.8 | 34.3 | -34.1 | 0 | 0 | 0 | 111.5 | S442 | P440-S442 PolarHBondContact O-N 2.9Å; P440-S442 VanDerWaalsContact O-N 3.14Å |
| 441 | M | 44.4 | Very low | 44.5 | Very low | 150 Ų | 150 | 147 Ų | 147 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | -59.4 | 116.5 | -178.7 | -158.8 | 60.7 | 58.9 | 0 | 0 | 111.6 | E439 | E439-M441 HydrophobicContact CG-CE 4.47Å; E439-M441 PolarHBondContact O-N 2.82Å; E439-M441 VanDerWaalsContact O-N 3.14Å; E439-M441 VanDerWaalsContact OE2-CE 3.27Å; E439-M441 WeakPolarHBondContact OE2-CE 3.44Å |
| 442 | S | 48.5 | Very low | 44.6 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -71.7 | 133.7 | -168.9 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | P440 Q444 | P440-S442 PolarHBondContact O-N 2.9Å; P440-S442 VanDerWaalsContact O-N 3.14Å; S442-Q444 PolarHBondContact O-N 3.06Å; S442-Q444 VanDerWaalsContact O-N 3.14Å |
| 443 | Y | 42.3 | Very low | 44.5 | Very low | 232 Ų | 232 | 144.3 Ų | 144.3 | 91% | 0.91 | 76% | 0.762 | S | S | * | * | | | trans | -63.1 | 107.9 | 179.4 | -172.4 | -88.4 | 0 | 0 | 0 | 112 | | |
| 444 | Q | 37.1 | Very low | 44.8 | Very low | 143 Ų | 143 | 143 Ų | 143 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | trans | -124.9 | 121.3 | 173.8 | -171.5 | 63.2 | 23.4 | 0 | 0 | 109.8 | S442 I447 | S442-Q444 PolarHBondContact O-N 3.06Å; S442-Q444 VanDerWaalsContact O-N 3.14Å; Q444-I447 HydrophobicContact CG-CD1 3.85Å; Q444-I447 HydrophobicContact CG-CG1 4.22Å |
| 445 | G | 42.2 | Very low | 44.6 | Very low | 39 Ų | 39 | 140.6 Ų | 140.6 | 40% | 0.402 | 76% | 0.759 | S | S | . | * | | | trans | -67.4 | 165.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I447 | G445-I447 PolarHBondContact O-N 3Š|
| 446 | P | 52.7 | Low | 44.6 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | | | trans | -59.7 | 109 | -174.3 | 23.7 | -33.9 | 0 | 0 | 0 | 112.1 | | |
| 447 | I | 41.3 | Very low | 45.2 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 62% | 0.621 | 76% | 0.761 | S | S | * | * | | | trans | -77.9 | 143.9 | 172.2 | -61.1 | 175.5 | 0 | 0 | 0 | 108.8 | Q444 G445 T449 | Q444-I447 HydrophobicContact CG-CD1 3.85Å; Q444-I447 HydrophobicContact CG-CG1 4.22Å; G445-I447 PolarHBondContact O-N 3Å; I447-T449 PolarHBondContact O-N 3.05Å |
| 448 | Y | 41.1 | Very low | 46 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | trans | -60.6 | 121.6 | 174.8 | -79.3 | -107.3 | 0 | 0 | 0 | 111.2 | H450 | Y448-H450 PolarHBondContact O-CD2 2.78Å; Y448-H450 PolarHBondContact O-N 3.19Å |
| 449 | T | 45.8 | Very low | 46.7 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | | | trans | -78.4 | 98.7 | 168.9 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | I447 G451 | I447-T449 PolarHBondContact O-N 3.05Å; T449-G451 PolarHBondContact O-N 2.97Å |
| 450 | H | 44.4 | Very low | 46.8 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -73.1 | 102.2 | 169.4 | -62 | -84.9 | 0 | 0 | 0 | 109.2 | Y448 | Y448-H450 PolarHBondContact O-CD2 2.78Å; Y448-H450 PolarHBondContact O-N 3.19Å |
| 451 | G | 41.6 | Very low | 46.8 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | trans | -119.8 | 126.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | T449 G453 | T449-G451 PolarHBondContact O-N 2.97Å; G451-G453 PolarHBondContact O-N 2.93Å |
| 452 | E | 48.3 | Very low | 46.7 | Very low | 211 Ų | 211 | 131 Ų | 131 | 99% | 0.986 | 75% | 0.753 | S | S | * | * | | | trans | -76 | 109.9 | 179.3 | -173.9 | 175 | -169.6 | 0 | 0 | 110.6 | | |
| 453 | G | 44.5 | Very low | 46.8 | Very low | 55 Ų | 55 | 134.6 Ų | 134.6 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 174.8 | 144.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | G451 A455 | G451-G453 PolarHBondContact O-N 2.93Å; G453-A455 PolarHBondContact O-N 3.19Å |
| 454 | P | 52.3 | Low | 47 | Very low | 136 Ų | 136 | 129 Ų | 129 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | trans | -67.3 | 116.9 | -176.3 | 26.4 | -33.5 | 0 | 0 | 0 | 111.2 | | |
| 455 | A | 46.4 | Very low | 47.5 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | -65.9 | 139.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G453 I457 | G453-A455 PolarHBondContact O-N 3.19Å; A455-I457 PolarHBondContact O-N 2.74Å; A455-I457 VanDerWaalsContact O-N 3.15Å |
| 456 | P | 49.3 | Very low | 48.1 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -66.4 | 114.7 | 173.3 | 27.4 | -33.2 | 0 | 0 | 0 | 110 | | |
| 457 | I | 49.1 | Very low | 48 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | trans | -61.8 | 123.4 | 179.1 | -65.5 | 168.8 | 0 | 0 | 0 | 109.1 | A455 | A455-I457 PolarHBondContact O-N 2.74Å; A455-I457 VanDerWaalsContact O-N 3.15Å |
| 458 | P | 55 | Low | 48.2 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | | | trans | -66 | 141.2 | 172.1 | 28.8 | -34 | 0 | 0 | 0 | 109.2 | Q460 | P458-Q460 PolarHBondContact O-N 2.82Š|
| 459 | P | 53.6 | Low | 48.5 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -62.4 | 102.9 | -175.4 | 24.2 | -33.8 | 0 | 0 | 0 | 111.2 | G461 | P459-G461 PolarHBondContact O-N 3.01Å; P459-G461 VanDerWaalsContact O-N 3.08Å |
| 460 | Q | 50.9 | Low | 48.6 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -73.8 | 99.1 | 179.8 | -65.8 | -174.5 | -1 | 0 | 0 | 109.8 | P458 | P458-Q460 PolarHBondContact O-N 2.82Š|
| 461 | G | 51.3 | Low | 48.8 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | trans | -150.8 | 141 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | P459 | P459-G461 PolarHBondContact O-N 3.01Å; P459-G461 VanDerWaalsContact O-N 3.08Å |
| 462 | M | 42.9 | Very low | 48.7 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | | | trans | 68.3 | 30 | 170 | -57 | -98.9 | 59.6 | 0 | 0 | 117.6 | V464 | M462-V464 HydrophobicContact CE-CG2 3.74Š|
| 463 | L | 51.3 | Low | 48.8 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 93% | 0.927 | 75% | 0.754 | S | S | * | * | | | trans | -87.4 | 94.7 | 146.5 | -86.3 | 173.4 | 0 | 0 | 0 | 108.9 | Q465 | L463-Q465 PolarHBondContact O-N 3.08Š|
| 464 | V | 46.7 | Very low | 48.4 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | | | trans | -78.8 | 110.9 | 170.5 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | M462 | M462-V464 HydrophobicContact CE-CG2 3.74Š|
| 465 | Q | 47.1 | Very low | 47.5 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | trans | -68.4 | 138.1 | 162.9 | -71.8 | -172.3 | -8.7 | 0 | 0 | 109.3 | L463 E467 | L463-Q465 PolarHBondContact O-N 3.08Å; Q465-E467 PolarHBondContact O-N 3.17Å |
| 466 | P | 53.6 | Low | 47.1 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -69 | 122.8 | 162.6 | 29.5 | -31.3 | 0 | 0 | 0 | 108.7 | M468 | P466-M468 PolarHBondContact O-N 2.72Å; P466-M468 VanDerWaalsContact O-N 3.16Å |
| 467 | E | 50.7 | Low | 47.2 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | -67.3 | 112.3 | -176.6 | -167.5 | 174.5 | 150.2 | 0 | 0 | 111 | Q465 H469 | Q465-E467 PolarHBondContact O-N 3.17Å; E467-H469 PolarHBondContact O-CE1 3.29Å; E467-H469 PolarHBondContact O-N 3.34Å; E467-H469 VanDerWaalsContact O-N 3.15Å; E467-H469 PolarHBondContact O-ND1 3.16Å; E467-H469 VanDerWaalsContact O-ND1 3.12Å; E467-H469 IonicContact OE1-CD2 3.38Å; E467-H469 PolarHBondContact OE1-CD2 2.93Å; E467-H469 VanDerWaalsContact OE1-CD2 3.3Å; E467-H469 IonicContact OE1-NE2 3Å |
| 468 | M | 45.3 | Very low | 46.5 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | -84.1 | 80.5 | 173.9 | -78.6 | -67.2 | -63.2 | 0 | 0 | 109.3 | P466 I470 | P466-M468 PolarHBondContact O-N 2.72Å; P466-M468 VanDerWaalsContact O-N 3.16Å; M468-I470 PolarHBondContact O-N 3.12Å |
| 469 | H | 47.4 | Very low | 45.7 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | trans | -60.1 | 101.2 | -179.2 | -37.3 | 90.2 | 0 | 0 | 0 | 111.5 | E467 | E467-H469 PolarHBondContact O-CE1 3.29Å; E467-H469 PolarHBondContact O-N 3.34Å; E467-H469 VanDerWaalsContact O-N 3.15Å; E467-H469 PolarHBondContact O-ND1 3.16Å; E467-H469 VanDerWaalsContact O-ND1 3.12Å; E467-H469 IonicContact OE1-CD2 3.38Å; E467-H469 PolarHBondContact OE1-CD2 2.93Å; E467-H469 VanDerWaalsContact OE1-CD2 3.3Å; E467-H469 IonicContact OE1-NE2 3Å |
| 470 | I | 47.8 | Very low | 45 | Very low | 125 Ų | 125 | 139 Ų | 139 | 64% | 0.641 | 76% | 0.757 | S | S | * | * | | | trans | -97.4 | 117.4 | 171.1 | -65.2 | 166.2 | 0 | 0 | 0 | 107.4 | M468 H472 | M468-I470 PolarHBondContact O-N 3.12Å; I470-H472 PolarHBondContact O-N 2.89Å |
| 471 | P | 50.3 | Low | 44.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -76.1 | 113.7 | -178 | 29.2 | -33.2 | 0 | 0 | 0 | 111.1 | | |
| 472 | H | 39.9 | Very low | 43.6 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -85.5 | 134.9 | 169.7 | -70.6 | -74.1 | 0 | 0 | 0 | 111.1 | I470 | I470-H472 PolarHBondContact O-N 2.89Š|
| 473 | P | 49.7 | Very low | 43.9 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -91.3 | 150.7 | 179.1 | 35.4 | -34.2 | 0 | 0 | 0 | 112.6 | | |
| 474 | G | 35.1 | Very low | 43.3 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | 148.6 | 118.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 475 | L | 34.2 | Very low | 42.7 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 73.2 | 73.7 | 132.1 | -50.5 | 179.7 | 0 | 0 | 0 | 121.9 | | |
| 476 | H | 37.9 | Very low | 42.3 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | | | | 59.9 | -173.5 | 123.2 | -54.1 | -50.4 | 0 | 0 | 0 | 119.6 | | |
| 477 | P | 52 | Low | 42 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | | | cis | -124.9 | -171.7 | -21.7 | 12.3 | 13.7 | 0 | 0 | 0 | 113.9 | | |
| 478 | H | 33.4 | Very low | 41.3 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | 75.7 | 141.8 | 166 | -49.6 | -58.9 | 0 | 0 | 0 | 115.8 | | |
| 479 | Q | 38.6 | Very low | 41.3 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | cis | -156.3 | 157.2 | -0.3 | -107.5 | 158.5 | 21.7 | 0 | 0 | 105.7 | | |
| 480 | S | 39.7 | Very low | 41 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | cis | 167 | 132.3 | -19 | 50 | 0 | 0 | 0 | 0 | 107 | | |
| 481 | G | 34.7 | Very low | 40.6 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 103.1 | 112.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 482 | A | 37 | Very low | 40.4 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | cis | 86.3 | 152 | 28.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 483 | P | 49.7 | Very low | 40.8 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | | | | -132 | -162.1 | -56.5 | 36.4 | -19.6 | 0 | 0 | 0 | 112.1 | | |
| 484 | I | 39.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | 81.2 | 129.4 | 174.1 | -50.4 | 154.7 | 0 | 0 | 0 | 113.1 | | |
| 485 | A | 33.3 | Very low | 41.2 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | cis | -133.5 | 160.4 | 2.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 486 | N | 39.3 | Very low | 41.5 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -102.5 | 164.1 | 157.9 | -103.9 | -44.5 | 0 | 0 | 0 | 108 | | |
| 487 | P | 46.8 | Very low | 42 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | cis | -140.9 | -179 | 27.1 | 42.9 | -25.1 | 0 | 0 | 0 | 117.6 | | |
| 488 | A | 36.4 | Very low | 41.5 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | trans | 86.5 | 161.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 489 | L | 43.8 | Very low | 42 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | 66 | 92.9 | -173.3 | -72.1 | 83.9 | 0 | 0 | 0 | 116.7 | G491 | L489-G491 PolarHBondContact O-N 3.35Š|
| 490 | Y | 42.4 | Very low | 42.5 | Very low | 250 Ų | 250 | 119 Ų | 119 | 98% | 0.98 | 78% | 0.784 | S | S | * | * | | | trans | 14.1 | 103.7 | 136.9 | -105.8 | -100.9 | 0 | 0 | 0 | 117.2 | | |
| 491 | G | 39.6 | Very low | 42.5 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | -159.5 | 130.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L489 | L489-G491 PolarHBondContact O-N 3.35Š|
| 492 | G | 44.7 | Very low | 42.6 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -71.8 | 168.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 493 | P | 48.8 | Very low | 42.9 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -63.5 | 144.9 | -175.4 | 26.9 | -35.2 | 0 | 0 | 0 | 112.2 | V495 | P493-V495 PolarHBondContact O-N 3.42Š|
| 494 | P | 46.8 | Very low | 42.6 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -69.5 | 105.2 | 176.6 | 28.7 | -33.9 | 0 | 0 | 0 | 110.4 | S496 | P494-S496 PolarHBondContact O-N 3.19Š|
| 495 | V | 45.7 | Very low | 43 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -77.3 | 109.2 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | P493 L497 | P493-V495 PolarHBondContact O-N 3.42Å; V495-L497 PolarHBondContact O-N 3.42Å; V495-L497 VanDerWaalsContact O-N 3.1Å |
| 496 | S | 42.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -57.5 | 111.9 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 111 | P494 S498 | P494-S496 PolarHBondContact O-N 3.19Å; S496-S498 PolarHBondContact O-N 3.12Å |
| 497 | L | 48.5 | Very low | 44 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | -75.5 | 115 | 179 | -66.6 | 177.4 | 0 | 0 | 0 | 110.9 | V495 | V495-L497 PolarHBondContact O-N 3.42Å; V495-L497 VanDerWaalsContact O-N 3.1Å |
| 498 | S | 40.7 | Very low | 44.1 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -72.9 | 129.8 | 166 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | S496 G500 | S496-S498 PolarHBondContact O-N 3.12Å; S498-G500 PolarHBondContact O-N 3.17Å |
| 499 | P | 43.3 | Very low | 45.1 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -78.7 | 88.6 | -171 | 31.1 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 500 | G | 48.5 | Very low | 45.3 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | | | trans | -179.9 | 21.3 | 179 | 0 | 0 | 0 | 0 | 0 | 119.5 | S498 | S498-G500 PolarHBondContact O-N 3.17Š|
| 501 | Q | 40.8 | Very low | 46 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -129.7 | 129.1 | -179.6 | -77.2 | -75.7 | -39 | 0 | 0 | 112 | | |
| 502 | P | 36 | Very low | 46.9 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | trans | -75.3 | 131 | 170.8 | 31 | -32.3 | 0 | 0 | 0 | 110.5 | Q504 | P502-Q504 PolarHBondContact O-N 3.27Š|
| 503 | Q | 43.4 | Very low | 47 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -70.7 | 123.3 | -179.6 | -66.3 | -175.3 | 4.8 | 0 | 0 | 111.8 | L505 | Q503-L505 PolarHBondContact O-N 2.75Š|
| 504 | Q | 44.8 | Very low | 47.3 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -76.7 | 104.7 | 159.8 | -73.3 | -75.9 | -0.1 | 0 | 0 | 108.4 | P502 L506 | P502-Q504 PolarHBondContact O-N 3.27Å; Q504-L506 PolarHBondContact O-N 2.88Å |
| 505 | L | 46.5 | Very low | 47.7 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | | | trans | -70.6 | 96 | 173.9 | -78.8 | 165.2 | 0 | 0 | 0 | 110 | Q503 | Q503-L505 PolarHBondContact O-N 2.75Š|
| 506 | L | 51.7 | Low | 48.1 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.5 | 164.8 | -88.7 | 70.3 | 0 | 0 | 0 | 109.1 | Q504 | Q504-L506 PolarHBondContact O-N 2.88Š|
| 507 | P | 43.2 | Very low | 48.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 146.4 | 169.5 | 29.1 | -34 | 0 | 0 | 0 | 110 | | |
| 508 | P | 48.6 | Very low | 48.9 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.4 | -179.9 | 26.8 | -34.6 | 0 | 0 | 0 | 111.5 | F510 | P508-F510 PolarHBondContact O-N 3.1Å; P508-F510 VanDerWaalsContact O-N 3.13Å |
| 509 | P | 56.9 | Low | 49.2 | Very low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | trans | -65.9 | 113.9 | -179.3 | 26.7 | -33.9 | 0 | 0 | 0 | 110.8 | Y511 | P509-Y511 HydrophobicContact CB-CE2 4.36Å; P509-Y511 HydrophobicContact CG-CE2 4.38Å; P509-Y511 PolarHBondContact O-N 3.19Å; P509-Y511 VanDerWaalsContact O-N 3.13Å |
| 510 | F | 48.3 | Very low | 49.4 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | trans | -78.8 | 95.7 | 180 | -163.7 | -84.7 | 0 | 0 | 0 | 110.4 | P508 P512 | P508-F510 PolarHBondContact O-N 3.1Å; P508-F510 VanDerWaalsContact O-N 3.13Å; F510-P512 WeakPolarHBondContact O-CD 3.42Å |
| 511 | Y | 56.3 | Low | 48.9 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 120.1 | 171.9 | -82.7 | -93.8 | 0 | 0 | 0 | 110.4 | P509 | P509-Y511 HydrophobicContact CB-CE2 4.36Å; P509-Y511 HydrophobicContact CG-CE2 4.38Å; P509-Y511 PolarHBondContact O-N 3.19Å; P509-Y511 VanDerWaalsContact O-N 3.13Å |
| 512 | P | 58.2 | Low | 48.9 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 46% | 0.461 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 148.3 | 171.6 | 30.6 | -34 | 0 | 0 | 0 | 110.7 | F510 | F510-P512 WeakPolarHBondContact O-CD 3.42Š|
| 513 | P | 48.1 | Very low | 49.2 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 60% | 0.597 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 152.8 | 178 | 28 | -34.8 | 0 | 0 | 0 | 112.1 | | |
| 514 | P | 53.8 | Low | 48.9 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 139.5 | -176.1 | 26.7 | -35 | 0 | 0 | 0 | 112.2 | | |
| 515 | G | 55.8 | Low | 48.5 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.7 | -14.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 516 | V | 54.4 | Low | 48.1 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | | | trans | -95 | 109 | 178.2 | -165 | 0 | 0 | 0 | 0 | 110.7 | T518 | V516-T518 PolarHBondContact O-N 2.79Å; V516-T518 VanDerWaalsContact O-N 3.13Å |
| 517 | M | 55.2 | Low | 47.3 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | | | trans | -71.7 | 102.2 | 170.8 | -78 | -176.3 | 67.7 | 0 | 0 | 110.7 | F519 | M517-F519 HydrophobicContact CB-CE2 4.37Å; M517-F519 HydrophobicContact CE-CE1 4.47Å; M517-F519 HydrophobicContact CE-CZ 4.09Å; M517-F519 PolarHBondContact O-N 2.99Å |
| 518 | T | 53.2 | Low | 47.2 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | | | trans | -78.9 | 93.7 | 172.6 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | V516 | V516-T518 PolarHBondContact O-N 2.79Å; V516-T518 VanDerWaalsContact O-N 3.13Å |
| 519 | F | 45.4 | Very low | 47 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | trans | -61.4 | 127.6 | 169.6 | -71.9 | -85.6 | 0 | 0 | 0 | 110 | M517 Y521 | M517-F519 HydrophobicContact CB-CE2 4.37Å; M517-F519 HydrophobicContact CE-CE1 4.47Å; M517-F519 HydrophobicContact CE-CZ 4.09Å; M517-F519 PolarHBondContact O-N 2.99Å; F519-Y521 PolarHBondContact O-N 3.02Å |
| 520 | P | 49.2 | Very low | 46.5 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -72.7 | 92.4 | 177.6 | 29.6 | -33.8 | 0 | 0 | 0 | 109.5 | | |
| 521 | Y | 36.4 | Very low | 46.4 | Very low | 213 Ų | 213 | 129.5 Ų | 129.5 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | | | trans | -57 | 128.4 | 163 | -89 | -93.2 | 0 | 0 | 0 | 108.5 | F519 A523 | F519-Y521 PolarHBondContact O-N 3.02Å; Y521-A523 PolarHBondContact O-N 2.87Å |
| 522 | P | 42.6 | Very low | 46.3 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | | | trans | -60.3 | 125.2 | 166.1 | 26.7 | -32.4 | 0 | 0 | 0 | 107.4 | M524 | P522-M524 PolarHBondContact O-N 3.19Š|
| 523 | A | 40.4 | Very low | 46.1 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | -61.9 | 102.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y521 Y525 | Y521-A523 PolarHBondContact O-N 2.87Å; A523-Y525 PolarHBondContact O-N 2.9Å |
| 524 | M | 39 | Very low | 46.9 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | | | trans | -57.5 | 112.2 | 173.1 | -77.8 | -69.8 | -71.3 | 0 | 0 | 108.2 | P522 | P522-M524 PolarHBondContact O-N 3.19Š|
| 525 | Y | 36.2 | Very low | 47.4 | Very low | 201 Ų | 201 | 121 Ų | 121 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | | | trans | -3.2 | 116.2 | -179 | -75.5 | -96.7 | 0 | 0 | 0 | 116.1 | A523 T527 | A523-Y525 PolarHBondContact O-N 2.9Å; Y525-T527 PolarHBondContact O-N 3.17Å |
| 526 | P | 37.2 | Very low | 47.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | | | trans | -59.1 | 114.5 | 163.3 | 26.4 | -32.6 | 0 | 0 | 0 | 108.5 | P528 | P526-P528 WeakPolarHBondContact O-CD 3.39Š|
| 527 | T | 35.3 | Very low | 47.9 | Very low | 112 Ų | 112 | 125 Ų | 125 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | | | trans | -57.5 | 119.3 | -172.2 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | Y525 Q529 | Y525-T527 PolarHBondContact O-N 3.17Å; T527-Q529 HydrophobicContact CG2-CB 4.38Å; T527-Q529 PolarHBondContact O-N 3.13Å |
| 528 | P | 41.6 | Very low | 48.5 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 41.8 | -177 | 33.7 | -37.1 | 0 | 0 | 0 | 112.6 | P526 | P526-P528 WeakPolarHBondContact O-CD 3.39Š|
| 529 | Q | 44.5 | Very low | 48.9 | Very low | 180 Ų | 180 | 119.8 Ų | 119.8 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 32.3 | 173 | -67.2 | -160.3 | -5.9 | 0 | 0 | 112.3 | T527 | T527-Q529 HydrophobicContact CG2-CB 4.38Å; T527-Q529 PolarHBondContact O-N 3.13Å |
| 530 | G | 44.5 | Very low | 50.4 | Low | 66 Ų | 66 | 114.7 Ų | 114.7 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | | | trans | -103.2 | 83 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A532 | G530-A532 PolarHBondContact O-N 3.45Š|
| 531 | Q | 47.3 | Very low | 51.2 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 52% | 0.519 | 66% | 0.656 | S | S | . | * | | | trans | -62.8 | 133.3 | 162.2 | -73.1 | -178 | -53.1 | 0 | 0 | 107.5 | Q533 Y542 | Q531-Q533 HydrophobicContact CB-CG 4.07Å; Q531-Q533 PolarHBondContact O-N 3.43Å; Q531-Y542 HydrophobicContact CB-CD1 4.5Å; Q531-Y542 VanDerWaalsContact OE1-CE1 3.32Å |
| 532 | A | 53.3 | Low | 52.4 | Low | 48 Ų | 48 | 111.1 Ų | 111.1 | 40% | 0.397 | 64% | 0.639 | S | S | . | * | | | trans | -70 | 75.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G530 V534 | G530-A532 PolarHBondContact O-N 3.45Å; A532-V534 PolarHBondContact O-N 2.85Å |
| 533 | Q | 55.5 | Low | 53.6 | Low | 97 Ų | 97 | 109 Ų | 109 | 45% | 0.453 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 79.3 | -174.3 | -77.7 | -177.1 | 12.6 | 0 | 0 | 110.7 | Q531 T535 T540 Y542 | Q531-Q533 HydrophobicContact CB-CG 4.07Å; Q531-Q533 PolarHBondContact O-N 3.43Å; Q533-T535 PolarHBondContact O-N 2.92Å; Q533-T540 HydrophobicContact CB-CG2 3.57Å; Q533-T540 HydrophobicContact CG-CG2 3.67Å; Q533-Y542 HydrophobicContact CG-CD1 4.2Å; Q533-Y542 HydrophobicContact CG-CE1 3.92Å |
| 534 | V | 63.3 | Low | 54.7 | Low | 101 Ų | 101 | 109.5 Ų | 109.5 | 61% | 0.612 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.7 | 105.2 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | A532 Y541 | A532-V534 PolarHBondContact O-N 2.85Å; V534-Y541 PolarHBondContact N-O 3.36Å; V534-Y541 PolarHBondContact O-N 3.4Å |
| 535 | T | 65.1 | Low | 55.6 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.2 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | Q533 V539 T540 | Q533-T535 PolarHBondContact O-N 2.92Å; T535-V539 WeakPolarHBondContact CA-O 3.48Å; T535-T540 WeakPolarHBondContact OG1-CB 3.47Å; T535-T540 WeakPolarHBondContact OG1-CG2 3.41Å; T535-T540 PolarHBondContact OG1-OG1 3.35Å |
| 536 | Y | 50.8 | Low | 56.8 | Low | 189 Ų | 189 | 105.8 Ų | 105.8 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.1 | 178.5 | -166.9 | -91.6 | 0 | 0 | 0 | 110 | G538 V539 | Y536-G538 PolarHBondContact O-N 3.11Å; Y536-G538 VanDerWaalsContact O-N 3.14Å; Y536-V539 PolarHBondContact N-O 2.89Å; Y536-V539 PolarHBondContact O-N 3.1Å |
| 537 | G | 69.1 | Low | 57.7 | Low | 77 Ų | 77 | 105.6 Ų | 105.6 | 79% | 0.794 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.2 | 22.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | V539 | G537-V539 VanDerWaalsContact C-N 3.31Š|
| 538 | G | 69.6 | Low | 58.6 | Low | 73 Ų | 73 | 109 Ų | 109 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81 | 2.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y536 | Y536-G538 PolarHBondContact O-N 3.11Å; Y536-G538 VanDerWaalsContact O-N 3.14Å |
| 539 | V | 61 | Low | 59.3 | Low | 75 Ų | 75 | 107.1 Ų | 107.1 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.7 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | T535 Y536 G537 Y541 | T535-V539 WeakPolarHBondContact CA-O 3.48Å; Y536-V539 PolarHBondContact N-O 2.89Å; Y536-V539 PolarHBondContact O-N 3.1Å; G537-V539 VanDerWaalsContact C-N 3.31Å; V539-Y541 HydrophobicContact CB-CE2 3.91Å; V539-Y541 HydrophobicContact CG1-CD2 4.39Å; V539-Y541 HydrophobicContact CG1-CE1 4.19Å; V539-Y541 HydrophobicContact CG1-CE2 3.8Å; V539-Y541 WeakPolarHBondContact O-CD2 3.28Å; V539-Y541 WeakPolarHBondContact O-CE2 3.1Å |
| 540 | T | 76.3 | Confident | 60.2 | Low | 48 Ų | 48 | 106.5 Ų | 106.5 | 29% | 0.294 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.1 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | Q533 T535 Y542 | Q533-T540 HydrophobicContact CB-CG2 3.57Å; Q533-T540 HydrophobicContact CG-CG2 3.67Å; T535-T540 WeakPolarHBondContact OG1-CB 3.47Å; T535-T540 WeakPolarHBondContact OG1-CG2 3.41Å; T535-T540 PolarHBondContact OG1-OG1 3.35Å; T540-Y542 HydrophobicContact CG2-CE2 4.21Å |
| 541 | Y | 65.6 | Low | 61 | Low | 141 Ų | 141 | 108.7 Ų | 108.7 | 55% | 0.553 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 141 | 174.4 | -61.3 | -89.4 | 0 | 0 | 0 | 110.1 | V534 V539 | V534-Y541 PolarHBondContact N-O 3.36Å; V534-Y541 PolarHBondContact O-N 3.4Å; V539-Y541 HydrophobicContact CB-CE2 3.91Å; V539-Y541 HydrophobicContact CG1-CD2 4.39Å; V539-Y541 HydrophobicContact CG1-CE1 4.19Å; V539-Y541 HydrophobicContact CG1-CE2 3.8Å; V539-Y541 WeakPolarHBondContact O-CD2 3.28Å; V539-Y541 WeakPolarHBondContact O-CE2 3.1Å |
| 542 | Y | 62.8 | Low | 61.8 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.2 | 178 | -62.2 | -96.6 | 0 | 0 | 0 | 108.8 | Q531 Q533 T540 T544 | Q531-Y542 HydrophobicContact CB-CD1 4.5Å; Q531-Y542 VanDerWaalsContact OE1-CE1 3.32Å; Q533-Y542 HydrophobicContact CG-CD1 4.2Å; Q533-Y542 HydrophobicContact CG-CE1 3.92Å; T540-Y542 HydrophobicContact CG2-CE2 4.21Å; Y542-T544 PolarHBondContact O-N 3.18Å |
| 543 | D | 68.1 | Low | 62.1 | Low | 61 Ų | 61 | 116.2 Ų | 116.2 | 33% | 0.326 | 63% | 0.631 | S | S | . | * | | | trans | -60.7 | 130.9 | 171.6 | -179.2 | 16.6 | 0 | 0 | 0 | 110.5 | M545 Q546 Q547 | D543-M545 WeakPolarHBondContact OD1-CB 3.38Å; D543-M545 PolarHBondContact OD1-N 3.13Å; D543-Q546 VanDerWaalsContact OD2-CG 3.29Å; D543-Q546 WeakPolarHBondContact OD2-CG 3.35Å; D543-Q546 PolarHBondContact OD2-N 2.74Å; D543-Q546 PolarHBondContact OD2-NE2 3.14Å; D543-Q547 PolarHBondContact O-NE2 3.33Å |
| 544 | T | 63.1 | Low | 62.3 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -94.5 | -20.2 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | Y542 Q547 | Y542-T544 PolarHBondContact O-N 3.18Å; T544-Q547 WeakPolarHBondContact O-CB 3.18Å; T544-Q547 PolarHBondContact O-N 2.83Å; T544-Q547 VanDerWaalsContact O-N 3.17Å |
| 545 | M | 58.4 | Low | 62.6 | Low | 156 Ų | 156 | 117.4 Ų | 117.4 | 77% | 0.768 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -64.6 | -46.5 | 176.3 | -65.8 | -67.8 | -70.5 | 0 | 0 | 110.6 | D543 Q547 Q548 | D543-M545 WeakPolarHBondContact OD1-CB 3.38Å; D543-M545 PolarHBondContact OD1-N 3.13Å; M545-Q547 PolarHBondContact O-N 2.71Å; M545-Q547 VanDerWaalsContact O-N 3.14Å; M545-Q548 PolarHBondContact O-N 3.25Å |
| 546 | Q | 59.5 | Low | 62.7 | Low | 139 Ų | 139 | 120 Ų | 120 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -68.3 | -5.2 | 174.9 | -74 | 174.3 | 78 | 0 | 0 | 114.6 | D543 Q548 | D543-Q546 VanDerWaalsContact OD2-CG 3.29Å; D543-Q546 WeakPolarHBondContact OD2-CG 3.35Å; D543-Q546 PolarHBondContact OD2-N 2.74Å; D543-Q546 PolarHBondContact OD2-NE2 3.14Å; Q546-Q548 VanDerWaalsContact C-N 3.33Å |
| 547 | Q | 56.5 | Low | 63.5 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 54% | 0.542 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -85.4 | -1 | 175.7 | -69.8 | 179.5 | 59.3 | 0 | 0 | 113.9 | D543 T544 M545 A549 | D543-Q547 PolarHBondContact O-NE2 3.33Å; T544-Q547 WeakPolarHBondContact O-CB 3.18Å; T544-Q547 PolarHBondContact O-N 2.83Å; T544-Q547 VanDerWaalsContact O-N 3.17Å; M545-Q547 PolarHBondContact O-N 2.71Å; M545-Q547 VanDerWaalsContact O-N 3.14Å; Q547-A549 PolarHBondContact O-N 3.35Å |
| 548 | Q | 54.1 | Low | 63.4 | Low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | | | trans | -74.5 | 66.7 | 169.9 | -164 | 171.1 | 78.4 | 0 | 0 | 110.9 | M545 Q546 Q550 | M545-Q548 PolarHBondContact O-N 3.25Å; Q546-Q548 VanDerWaalsContact C-N 3.33Å; Q548-Q550 PolarHBondContact O-N 3Å |
| 549 | A | 57.4 | Low | 63.1 | Low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q547 | Q547-A549 PolarHBondContact O-N 3.35Š|
| 550 | Q | 62.2 | Low | 62.9 | Low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 136 | 172.2 | -73.1 | -72.2 | -5.4 | 0 | 0 | 110.4 | Q548 K552 | Q548-Q550 PolarHBondContact O-N 3Å; Q550-K552 PolarHBondContact O-N 3.26Å; Q550-K552 VanDerWaalsContact O-N 3.12Å |
| 551 | P | 61.4 | Low | 62.6 | Low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59 | 122.3 | 180 | 25.2 | -33.2 | 0 | 0 | 0 | 109 | | |
| 552 | K | 64 | Low | 62.6 | Low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.3 | -178.1 | -67.6 | -173.2 | 175.8 | -169.7 | 0 | 109.6 | Q550 S554 | Q550-K552 PolarHBondContact O-N 3.26Å; Q550-K552 VanDerWaalsContact O-N 3.12Å; K552-S554 PolarHBondContact O-N 2.75Å |
| 553 | P | 61.5 | Low | 62.5 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 138.4 | 177.6 | 24.2 | -33.8 | 0 | 0 | 0 | 109.8 | | |
| 554 | S | 58.2 | Low | 62.4 | Low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.4 | -176.9 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | K552 | K552-S554 PolarHBondContact O-N 2.75Š|
| 555 | P | 71.1 | Confident | 62.5 | Low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 141.7 | 174.5 | -25.2 | 34.6 | 0 | 0 | 0 | 111.4 | R557 | P555-R557 PolarHBondContact O-N 2.86Š|
| 556 | P | 66.8 | Low | 63.2 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 123.3 | 177.5 | -26.6 | 35 | 0 | 0 | 0 | 111.6 | R558 | P556-R558 PolarHBondContact O-N 3.48Š|
| 557 | R | 66.3 | Low | 63.9 | Low | 245 Ų | 245 | 141.5 Ų | 141.5 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.7 | 174.2 | -86.6 | -177 | 152.5 | -146.6 | -5.4 | 109.4 | P555 | P555-R557 PolarHBondContact O-N 2.86Š|
| 558 | R | 67.1 | Low | 64.4 | Low | 236 Ų | 236 | 141.4 Ų | 141.4 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.4 | 164.5 | -115 | 174.9 | 155 | -95.6 | 0.4 | 109 | P556 | P556-R558 PolarHBondContact O-N 3.48Š|
| 559 | T | 64.1 | Low | 65.2 | Low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.1 | 173.9 | 45.8 | 0 | 0 | 0 | 0 | 110.3 | Q561 | T559-Q561 PolarHBondContact O-N 3.47Å; T559-Q561 VanDerWaalsContact O-N 3.1Å |
| 560 | S | 56.5 | Low | 66 | Low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -80.6 | 83.2 | 175.6 | 52.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 561 | Q | 69.8 | Low | 66.5 | Low | 150 Ų | 150 | 140.8 Ų | 140.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -69.7 | 135.4 | 167.7 | -64.1 | -66.1 | 6.2 | 0 | 0 | 109.4 | T559 V563 | T559-Q561 PolarHBondContact O-N 3.47Å; T559-Q561 VanDerWaalsContact O-N 3.1Å; Q561-V563 PolarHBondContact O-N 2.6Å |
| 562 | P | 66.8 | Low | 66.9 | Low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -65.9 | 129.4 | 178.1 | 27.3 | -33.6 | 0 | 0 | 0 | 110.3 | T564 | P562-T564 PolarHBondContact O-N 2.95Š|
| 563 | V | 60.2 | Low | 66.6 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -82.7 | 105.6 | 172.1 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | Q561 V565 | Q561-V563 PolarHBondContact O-N 2.6Å; V563-V565 VanDerWaalsContact C-N 3.35Å; V563-V565 PolarHBondContact O-N 2.89Å |
| 564 | T | 65.4 | Low | 66.2 | Low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -68.1 | 91.3 | 175.5 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | P562 K566 | P562-T564 PolarHBondContact O-N 2.95Å; T564-K566 PolarHBondContact O-N 3.45Å; T564-K566 VanDerWaalsContact O-N 3.13Å |
| 565 | V | 65.5 | Low | 66 | Low | 124 Ų | 124 | 141.7 Ų | 141.7 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -68.3 | 107.5 | 169.8 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | V563 | V563-V565 VanDerWaalsContact C-N 3.35Å; V563-V565 PolarHBondContact O-N 2.89Å |
| 566 | K | 71.9 | Confident | 64.9 | Low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.5 | 173.5 | -173 | 179.9 | 178.1 | -179.4 | 0 | 108.5 | T564 | T564-K566 PolarHBondContact O-N 3.45Å; T564-K566 VanDerWaalsContact O-N 3.13Å |
| 567 | P | 74.4 | Confident | 63.9 | Low | 98 Ų | 98 | 148.7 Ų | 148.7 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 153 | 176 | 26.7 | -34.5 | 0 | 0 | 0 | 110.9 | | |
| 568 | P | 68.9 | Low | 63.7 | Low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60 | 150.5 | 172.9 | 27.5 | -34.6 | 0 | 0 | 0 | 110.6 | | |
| 569 | P | 70 | Confident | 63.6 | Low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148.2 | 173.6 | 29.5 | -34.7 | 0 | 0 | 0 | 110.3 | | |
| 570 | P | 74.3 | Confident | 63.5 | Low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 140.1 | 174.4 | 28.1 | -34.5 | 0 | 0 | 0 | 110.3 | V572 | P570-V572 PolarHBondContact O-N 2.97Š|
| 571 | E | 72.8 | Confident | 64 | Low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 121.4 | 173.8 | -64.4 | -177.3 | 171.8 | 0 | 0 | 109.2 | | |
| 572 | V | 69.1 | Low | 63.6 | Low | 116 Ų | 116 | 141.3 Ų | 141.3 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 125.8 | 171.3 | -73.3 | 0 | 0 | 0 | 0 | 108.6 | P570 Y574 | P570-V572 PolarHBondContact O-N 2.97Å; V572-Y574 PolarHBondContact O-N 3.31Å |
| 573 | P | 58.9 | Low | 63.4 | Low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 125.3 | 173.7 | 27 | -32.7 | 0 | 0 | 0 | 108.6 | A575 | P573-A575 PolarHBondContact O-N 3.21Š|
| 574 | Y | 52.8 | Low | 63.6 | Low | 217 Ų | 217 | 144.4 Ų | 144.4 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -65 | 104.6 | 170.5 | -83 | -93.2 | 0 | 0 | 0 | 108.8 | V572 S576 | V572-Y574 PolarHBondContact O-N 3.31Å; Y574-S576 PolarHBondContact O-N 3.27Å |
| 575 | A | 54 | Low | 63.5 | Low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -57.9 | 128.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P573 | P573-A575 PolarHBondContact O-N 3.21Š|
| 576 | S | 47.8 | Very low | 63.3 | Low | 122 Ų | 122 | 147.2 Ų | 147.2 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -95.7 | 118.3 | 175 | -57.7 | 0 | 0 | 0 | 0 | 108.7 | Y574 | Y574-S576 PolarHBondContact O-N 3.27Š|
| 577 | E | 44.7 | Very low | 62.5 | Low | 269 Ų | 269 | 143.9 Ų | 143.9 | 100% | 1.257 | 83% | 0.825 | S | S | * | * | | | trans | -142.4 | 0 | 165.1 | -165.4 | 173.4 | 177.9 | 0 | 0 | 108 | | |