| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.3 | Low | 44.8 | Very low | 244 Ų | 244 | 162.6 Ų | 162.6 | 100% | 1.202 | 83% | 0.827 | S | S | * | * | 0 | 104.7 | 0 | -72.7 | 174.1 | 70.1 | 0 | 0 | 109 | |||||
| 2 | S | 42.3 | Very low | 43.8 | Very low | 126 Ų | 126 | 158.7 Ų | 158.7 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | -176.8 | 109.6 | 154.6 | 32.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | S | 47.3 | Very low | 43.1 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 137.5 | 174.1 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | F | 51.1 | Low | 42.6 | Very low | 209 Ų | 209 | 158.9 Ų | 158.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -141.4 | 115.5 | 148 | -109.3 | -77.7 | 0 | 0 | 0 | 111.1 | ||||
| 5 | S | 45.4 | Very low | 42.1 | Very low | 108 Ų | 108 | 161.1 Ų | 161.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -84.9 | 129.6 | 173 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | Y | 41.2 | Very low | 41.8 | Very low | 214 Ų | 214 | 163.9 Ų | 163.9 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 122.5 | 148.7 | -156 | -106.7 | 0 | 0 | 0 | 111.5 | P8 | Y6-P8 HydrophobicContact CD1-CG 4.29Å; Y6-P8 HydrophobicContact CE1-CB 4.3Å; Y6-P8 HydrophobicContact CE1-CG 4.14Å | ||
| 7 | E | 46.5 | Very low | 41.3 | Very low | 156 Ų | 156 | 167.5 Ų | 167.5 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | trans | -108.8 | 137.9 | 169.8 | 178.8 | -167.2 | -120.8 | 0 | 0 | 107.6 | ||||
| 8 | P | 52.7 | Low | 40.9 | Very low | 87 Ų | 87 | 168.4 Ų | 168.4 | 57% | 0.565 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 107.9 | 149.7 | 32.5 | -17.7 | 0 | 0 | 0 | 112.3 | Y6 | Y6-P8 HydrophobicContact CD1-CG 4.29Å; Y6-P8 HydrophobicContact CE1-CB 4.3Å; Y6-P8 HydrophobicContact CE1-CG 4.14Å | ||
| 9 | Y | 38.6 | Very low | 40.5 | Very low | 202 Ų | 202 | 166.7 Ų | 166.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | 17.4 | 108.2 | 142.6 | -77.1 | -99.7 | 0 | 0 | 0 | 117.9 | ||||
| 10 | Y | 40.8 | Very low | 40.1 | Very low | 222 Ų | 222 | 166.2 Ų | 166.2 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -120.2 | 134.1 | 145.7 | -87.3 | -83.6 | 0 | 0 | 0 | 110.6 | T12 | Y10-T12 PolarHBondContact O-N 3.23Š| ||
| 11 | S | 35 | Very low | 39.9 | Very low | 111 Ų | 111 | 164 Ų | 164 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -81.5 | 103.9 | -167.6 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | S13 | S11-S13 PolarHBondContact O-N 3.05Å; S11-S13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | T | 32.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 96.7 | 174.3 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | Y10 Y14 | Y10-T12 PolarHBondContact O-N 3.23Å; T12-Y14 HydrophobicContact CG2-CD2 3.79Å; T12-Y14 HydrophobicContact CG2-CE2 3.78Å; T12-Y14 PolarHBondContact O-N 3.04Å; T12-Y14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | S | 34.5 | Very low | 39.3 | Very low | 102 Ų | 102 | 163.3 Ų | 163.3 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -77.9 | 92.1 | 172.7 | -66 | 0 | 0 | 0 | 0 | 111.4 | S11 K15 | S11-S13 PolarHBondContact O-N 3.05Å; S11-S13 VanDerWaalsContact O-N 3.11Å; S13-K15 VanDerWaalsContact C-N 3.32Å; S13-K15 PolarHBondContact O-N 3.47Å | ||
| 14 | Y | 36.1 | Very low | 38.9 | Very low | 218 Ų | 218 | 164.1 Ų | 164.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -65.8 | 83.4 | 171.7 | -92.7 | -85.1 | 0 | 0 | 0 | 112.1 | T12 R16 | T12-Y14 HydrophobicContact CG2-CD2 3.79Å; T12-Y14 HydrophobicContact CG2-CE2 3.78Å; T12-Y14 PolarHBondContact O-N 3.04Å; T12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-R16 PolarHBondContact O-N 2.97Å; Y14-R16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | K | 35.5 | Very low | 38.1 | Very low | 193 Ų | 193 | 163.2 Ų | 163.2 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -81.4 | 83 | 164 | -94.5 | -170 | 175.3 | -179.5 | 0 | 110.6 | S13 R17 | S13-K15 VanDerWaalsContact C-N 3.32Å; S13-K15 PolarHBondContact O-N 3.47Å; K15-R17 PolarHBondContact O-N 3.31Å | ||
| 16 | R | 36.4 | Very low | 37.7 | Very low | 206 Ų | 206 | 165.7 Ų | 165.7 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -60.2 | 96.8 | 165.7 | -179.1 | -169.5 | -80.4 | -144 | 1.9 | 109.5 | Y14 Y18 | Y14-R16 PolarHBondContact O-N 2.97Å; Y14-R16 VanDerWaalsContact O-N 3.14Å; R16-Y18 HydrophobicContact CG-CD2 3.97Å; R16-Y18 HydrophobicContact CG-CE2 4.09Å; R16-Y18 PolarHBondContact O-N 3Å | ||
| 17 | R | 33.1 | Very low | 37.4 | Very low | 225 Ų | 225 | 161 Ų | 161 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | trans | -82.5 | 101.7 | 166.9 | -69 | -163.9 | -155.6 | -174.6 | 9.3 | 109.1 | K15 | K15-R17 PolarHBondContact O-N 3.31Š| ||
| 18 | Y | 35.2 | Very low | 36.5 | Very low | 184 Ų | 184 | 159.2 Ų | 159.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -72.5 | 130.7 | 147.2 | -87.9 | -107.1 | 0 | 0 | 0 | 107.1 | R16 | R16-Y18 HydrophobicContact CG-CD2 3.97Å; R16-Y18 HydrophobicContact CG-CE2 4.09Å; R16-Y18 PolarHBondContact O-N 3Å | ||
| 19 | V | 32.3 | Very low | 35.8 | Very low | 135 Ų | 135 | 161.3 Ų | 161.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -103.2 | 114 | 164.4 | 176.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 20 | E | 32.1 | Very low | 35.6 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 73% | 0.729 | 80% | 0.802 | S | S | * | * | trans | -128.4 | 153 | -179.5 | -163.1 | -175.7 | 166.9 | 0 | 0 | 108.7 | ||||
| 21 | T | 37.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 76.6 | 157.7 | 172.2 | 80.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 22 | P | 45.4 | Very low | 35 | Very low | 105 Ų | 105 | 155.3 Ų | 155.3 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -126.1 | 143.6 | 3 | 36.5 | -20.2 | 0 | 0 | 0 | 116 | ||||
| 23 | R | 35.8 | Very low | 35.3 | Very low | 250 Ų | 250 | 161.2 Ų | 161.2 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 117.7 | 158 | -115.4 | -179.4 | 178.4 | 168.3 | 0.1 | 108.5 | ||
| 24 | V | 39.3 | Very low | 35.4 | Very low | 128 Ų | 128 | 162.1 Ų | 162.1 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 131.7 | 174.9 | -93.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 25 | H | 34.6 | Very low | 35.4 | Very low | 190 Ų | 190 | 158 Ų | 158 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129.8 | 166.3 | -70.4 | -93.4 | 0 | 0 | 0 | 109.6 | ||
| 26 | I | 36 | Very low | 35.4 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -124 | 125.4 | 161.5 | -61.3 | 179.8 | 0 | 0 | 0 | 107.9 | ||||
| 27 | S | 34.7 | Very low | 35.4 | Very low | 115 Ų | 115 | 155.3 Ų | 155.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -91.6 | 137.8 | 172.1 | 45 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 28 | S | 29.5 | Very low | 35.4 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -153.8 | 147.2 | 147.6 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 29 | V | 37.6 | Very low | 35.5 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -96 | 138.8 | -176.4 | -78.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | R | 33.5 | Very low | 35.6 | Very low | 240 Ų | 240 | 150 Ų | 150 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | -169.2 | 142.9 | 122.5 | -118.2 | 175.2 | 177.5 | -113.9 | -0.4 | 114.9 | |||||
| 31 | S | 30.3 | Very low | 35.6 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -12.5 | 140.6 | 149.9 | -164 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 32 | G | 33.6 | Very low | 35.6 | Very low | 58 Ų | 58 | 146.7 Ų | 146.7 | 60% | 0.598 | 81% | 0.812 | S | S | * | * | cis | 134.2 | 127.6 | 3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | Y | 38.3 | Very low | 35.3 | Very low | 239 Ų | 239 | 151.7 Ų | 151.7 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | -141.7 | 129.2 | 167.9 | -94 | -79.6 | 0 | 0 | 0 | 110.5 | ||||
| 34 | S | 36.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -74.7 | 130.9 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 35 | T | 36.8 | Very low | 35.5 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -132.1 | 100.8 | 153.4 | -63 | 0 | 0 | 0 | 0 | 108.4 | R37 | T35-R37 PolarHBondContact O-N 3.39Š| ||
| 36 | A | 35.2 | Very low | 36 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 114.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S38 | A36-S38 PolarHBondContact O-N 3.35Š| ||
| 37 | R | 35.6 | Very low | 36.3 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 114.2 | 165.6 | -82.3 | -175.7 | 162.2 | -148.4 | -3.2 | 109 | T35 A39 | T35-R37 PolarHBondContact O-N 3.39Å; R37-A39 PolarHBondContact O-N 2.82Å | ||
| 38 | S | 33.5 | Very low | 36.4 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -73.9 | 112.4 | 170.1 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | A36 | A36-S38 PolarHBondContact O-N 3.35Š| ||
| 39 | A | 38.3 | Very low | 36.9 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 109.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R37 S41 | R37-A39 PolarHBondContact O-N 2.82Å; A39-S41 PolarHBondContact O-N 2.78Å; A39-S41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | Y | 34.2 | Very low | 37 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -77.4 | 96.3 | 176.3 | -145.1 | -93.8 | 0 | 0 | 0 | 109.2 | ||||
| 41 | S | 32.4 | Very low | 37.3 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -98.5 | 107.5 | 174.4 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | A39 Y43 | A39-S41 PolarHBondContact O-N 2.78Å; A39-S41 VanDerWaalsContact O-N 3.11Å; S41-Y43 PolarHBondContact O-N 2.92Å | ||
| 42 | S | 35.8 | Very low | 37.7 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 98.5 | 179 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | Y | 39.1 | Very low | 38 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 122.3 | 167.2 | 64.3 | -86.4 | 0 | 0 | 0 | 110.2 | S41 | S41-Y43 PolarHBondContact O-N 2.92Š|
| 44 | S | 38.8 | Very low | 38 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 127.2 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 45 | A | 40.1 | Very low | 37.9 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87 | 147.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 46 | P | 45.2 | Very low | 37.8 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 147.6 | -168.1 | 32 | -35.9 | 0 | 0 | 0 | 114.2 | S48 | P46-S48 PolarHBondContact O-N 3.18Š|
| 47 | V | 42.2 | Very low | 38 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118.3 | 172.8 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 48 | S | 37.5 | Very low | 37.9 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -91.5 | 108 | 172.3 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | P46 S50 | P46-S48 PolarHBondContact O-N 3.18Å; S48-S50 PolarHBondContact O-N 2.88Å | ||
| 49 | S | 39.6 | Very low | 38 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -74.9 | 110.4 | 175.3 | 42 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 50 | S | 40.9 | Very low | 38 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 128.9 | 169.8 | 56.1 | 0 | 0 | 0 | 0 | 111 | S48 S52 | S48-S50 PolarHBondContact O-N 2.88Å; S50-S52 PolarHBondContact O-N 3.32Å | ||
| 51 | L | 39.1 | Very low | 38.3 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -79.3 | 116.5 | -168.7 | -64.7 | 157.8 | 0 | 0 | 0 | 111.9 | V53 | L51-V53 PolarHBondContact O-N 2.77Š| ||
| 52 | S | 38.4 | Very low | 38.6 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -72.4 | 85.1 | 171 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | S50 R54 | S50-S52 PolarHBondContact O-N 3.32Å; S52-R54 PolarHBondContact O-N 3.4Å; S52-R54 VanDerWaalsContact O-N 3.09Å | ||
| 53 | V | 39.6 | Very low | 38.6 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -70 | 103 | 174.7 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | L51 R55 | L51-V53 PolarHBondContact O-N 2.77Å; V53-R55 HydrophobicContact CG1-CG 4.33Å; V53-R55 PolarHBondContact O-N 3.27Å | ||
| 54 | R | 38.4 | Very low | 38.7 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -64 | 112.3 | 163.2 | -77.2 | -179.8 | 170.3 | -113.3 | 1.2 | 109.2 | S52 | S52-R54 PolarHBondContact O-N 3.4Å; S52-R54 VanDerWaalsContact O-N 3.09Å | ||
| 55 | R | 35.4 | Very low | 38.7 | Very low | 230 Ų | 230 | 135.8 Ų | 135.8 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -100.2 | 104.1 | 164.4 | -93.7 | -175.8 | 175.7 | -121 | 0.3 | 110.4 | V53 | V53-R55 HydrophobicContact CG1-CG 4.33Å; V53-R55 PolarHBondContact O-N 3.27Å | ||
| 56 | S | 35.1 | Very low | 39 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -68.1 | 130.6 | 163 | -47.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 57 | Y | 38.2 | Very low | 38.7 | Very low | 218 Ų | 218 | 136.9 Ų | 136.9 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -100.3 | 113.5 | 162.9 | 55.9 | -91.3 | 0 | 0 | 0 | 109.4 | ||||
| 58 | S | 33.7 | Very low | 38.5 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -79.1 | 113.5 | 169.8 | 49 | 0 | 0 | 0 | 0 | 109.5 | S60 | S58-S60 PolarHBondContact O-N 2.83Å; S58-S60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | S | 36.6 | Very low | 38.8 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -79 | 91.8 | 173 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 60 | S | 38 | Very low | 39.4 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -123.2 | 89.1 | 172.2 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | S58 | S58-S60 PolarHBondContact O-N 2.83Å; S58-S60 VanDerWaalsContact O-N 3.16Å | ||
| 61 | S | 39.8 | Very low | 39.7 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -158.2 | 120.8 | 159.2 | 178.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 62 | G | 39.3 | Very low | 40.4 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | cis | 96 | 59.4 | 17 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 63 | S | 36.6 | Very low | 41.2 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -137.7 | 102.1 | 167 | -159 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 64 | L | 39.8 | Very low | 42.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -77.6 | 134.9 | 158.3 | -65.7 | 162 | 0 | 0 | 0 | 107.3 | ||||
| 65 | M | 39.3 | Very low | 43 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -146 | 154.9 | 155.2 | -88.7 | -49.9 | -178.3 | 0 | 0 | 109.5 | ||||
| 66 | P | 45.6 | Very low | 44.2 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -108.9 | -172.1 | -142.4 | 8.7 | 15.8 | 0 | 0 | 0 | 112.6 | ||||
| 67 | S | 38.9 | Very low | 45.5 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -41 | 137.5 | 171.6 | -165.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 68 | L | 39.3 | Very low | 46.7 | Very low | 162 Ų | 162 | 117.8 Ų | 117.8 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -60.6 | 141.4 | 160 | -66.8 | 103.3 | 0 | 0 | 0 | 109.6 | ||||
| 69 | E | 42.3 | Very low | 48.2 | Very low | 173 Ų | 173 | 117.6 Ų | 117.6 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | trans | -161.7 | 121.6 | 134.5 | -111.3 | 166.5 | -155.7 | 0 | 0 | 110.1 | ||||
| 70 | N | 53.9 | Low | 49.8 | Very low | 158 Ų | 158 | 114.3 Ų | 114.3 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | 51.6 | 89.7 | 161.7 | -56.1 | -29.8 | 0 | 0 | 0 | 118.9 | ||||
| 71 | L | 46.7 | Very low | 51.6 | Low | 144 Ų | 144 | 113.8 Ų | 113.8 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | trans | -129.5 | 142.2 | 161.7 | -98.3 | 158.1 | 0 | 0 | 0 | 110.8 | ||||
| 72 | D | 53.7 | Low | 53.2 | Low | 102 Ų | 102 | 113 Ų | 113 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | trans | -68.1 | 137.5 | -171.9 | 177.6 | 39.4 | 0 | 0 | 0 | 113.2 | S74 Q75 | D72-S74 PolarHBondContact O-N 3.48Å; D72-S74 WeakPolarHBondContact OD2-CB 3.29Å; D72-S74 PolarHBondContact OD2-OG 2.88Å; D72-Q75 PolarHBondContact O-N 3.28Å | ||
| 73 | L | 54.6 | Low | 55 | Low | 149 Ų | 149 | 113 Ų | 113 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.4 | -23.1 | -170.9 | -151.6 | 73.6 | 0 | 0 | 0 | 112.5 | A77 | L73-A77 PolarHBondContact O-N 3.11Å |
| 74 | S | 59.6 | Low | 57 | Low | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.9 | -40.5 | 179.8 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | D72 A77 A78 | D72-S74 PolarHBondContact O-N 3.48Å; D72-S74 WeakPolarHBondContact OD2-CB 3.29Å; D72-S74 PolarHBondContact OD2-OG 2.88Å; S74-A77 PolarHBondContact O-N 3Å; S74-A78 PolarHBondContact O-N 2.87Å |
| 75 | Q | 56.8 | Low | 58.9 | Low | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.1 | -37.4 | -176.4 | -113.7 | 174.5 | 10.5 | 0 | 0 | 112.1 | D72 A77 A78 I79 | D72-Q75 PolarHBondContact O-N 3.28Å; Q75-A77 VanDerWaalsContact C-N 3.32Å; Q75-A77 PolarHBondContact O-N 3.35Å; Q75-A78 PolarHBondContact O-N 3.46Å; Q75-I79 WeakPolarHBondContact O-CG1 3.45Å; Q75-I79 PolarHBondContact O-N 2.86Å; Q75-I79 VanDerWaalsContact O-N 3.12Å |
| 76 | V | 59.8 | Low | 60.9 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.8 | -35.9 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | S80 | V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 2.83Å |
| 77 | A | 62.2 | Low | 62.7 | Low | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L73 S74 Q75 S80 N81 | L73-A77 PolarHBondContact O-N 3.11Å; S74-A77 PolarHBondContact O-N 3Å; Q75-A77 VanDerWaalsContact C-N 3.32Å; Q75-A77 PolarHBondContact O-N 3.35Å; A77-S80 PolarHBondContact O-N 3.46Å; A77-N81 PolarHBondContact O-N 3.45Å |
| 78 | A | 64.4 | Low | 64.9 | Low | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -53.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S74 Q75 S80 N81 D82 | S74-A78 PolarHBondContact O-N 2.87Å; Q75-A78 PolarHBondContact O-N 3.46Å; A78-S80 PolarHBondContact O-N 3.45Å; A78-N81 PolarHBondContact O-N 3.19Å; A78-D82 PolarHBondContact O-N 3.1Å |
| 79 | I | 66.1 | Low | 67.2 | Low | 103 Ų | 103 | 102.2 Ų | 102.2 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -35.8 | 177.5 | -63.8 | 165.9 | 0 | 0 | 0 | 111.1 | Q75 D82 L83 | Q75-I79 WeakPolarHBondContact O-CG1 3.45Å; Q75-I79 PolarHBondContact O-N 2.86Å; Q75-I79 VanDerWaalsContact O-N 3.12Å; I79-D82 PolarHBondContact O-N 3.41Å; I79-L83 WeakPolarHBondContact O-CB 3.37Å; I79-L83 PolarHBondContact O-N 3.28Å |
| 80 | S | 69.6 | Low | 69.3 | Low | 51 Ų | 51 | 98.8 Ų | 98.8 | 36% | 0.357 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 113 | V76 A77 A78 K84 | V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 2.83Å; A77-S80 PolarHBondContact O-N 3.46Å; A78-S80 PolarHBondContact O-N 3.45Å; S80-K84 WeakPolarHBondContact O-CD 2.94Å; S80-K84 WeakPolarHBondContact O-CG 3.21Å; S80-K84 PolarHBondContact O-N 2.94Å; S80-K84 VanDerWaalsContact O-N 3.11Å; S80-K84 WeakPolarHBondContact OG-CE 3.42Å |
| 81 | N | 74.6 | Confident | 70.9 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.7 | -37.6 | 175.5 | -84.9 | -6.9 | 0 | 0 | 0 | 112.2 | A77 A78 K84 S85 | A77-N81 PolarHBondContact O-N 3.45Å; A78-N81 PolarHBondContact O-N 3.19Å; N81-K84 WeakPolarHBondContact O-CB 3.41Å; N81-K84 PolarHBondContact O-N 3.45Å; N81-K84 VanDerWaalsContact O-N 3.1Å; N81-K84 PolarHBondContact OD1-NZ 2.91Å; N81-S85 PolarHBondContact O-N 2.92Å |
| 82 | D | 74.9 | Confident | 72.8 | Confident | 98 Ų | 98 | 94.1 Ų | 94.1 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 172.7 | -67.8 | -29.6 | 0 | 0 | 0 | 111.7 | A78 I79 K84 S85 I86 | A78-D82 PolarHBondContact O-N 3.1Å; I79-D82 PolarHBondContact O-N 3.41Å; D82-K84 PolarHBondContact O-N 2.96Å; D82-S85 WeakPolarHBondContact CA-OG 3.34Å; D82-S85 PolarHBondContact O-N 2.81Å; D82-S85 PolarHBondContact O-OG 3.34Å; D82-I86 WeakPolarHBondContact O-CB 3.44Å; D82-I86 WeakPolarHBondContact O-CD1 3.46Å; D82-I86 VanDerWaalsContact O-CG1 3.24Å; D82-I86 WeakPolarHBondContact O-CG1 3.31Å; D82-I86 PolarHBondContact O-N 3.24Å |
| 83 | L | 76.2 | Confident | 74.4 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.5 | -17.4 | 171.5 | -103.8 | 170.3 | 0 | 0 | 0 | 114.1 | I79 R87 | I79-L83 WeakPolarHBondContact O-CB 3.37Å; I79-L83 PolarHBondContact O-N 3.28Å; L83-R87 WeakPolarHBondContact O-CB 3.45Å; L83-R87 VanDerWaalsContact O-CG 3.25Å; L83-R87 WeakPolarHBondContact O-CG 3.34Å; L83-R87 PolarHBondContact O-N 3.36Å; L83-R87 PolarHBondContact O-NH1 3.25Å; L83-R87 VanDerWaalsContact O-NH1 3.15Å |
| 84 | K | 79.6 | Confident | 76.1 | Confident | 110 Ų | 110 | 93.4 Ų | 93.4 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -83.3 | -43.5 | 169.9 | -73.2 | 164.3 | -157.4 | 161 | 0 | 110.5 | S80 N81 D82 R87 T88 | S80-K84 WeakPolarHBondContact O-CD 2.94Å; S80-K84 WeakPolarHBondContact O-CG 3.21Å; S80-K84 PolarHBondContact O-N 2.94Å; S80-K84 VanDerWaalsContact O-N 3.11Å; S80-K84 WeakPolarHBondContact OG-CE 3.42Å; N81-K84 WeakPolarHBondContact O-CB 3.41Å; N81-K84 PolarHBondContact O-N 3.45Å; N81-K84 VanDerWaalsContact O-N 3.1Å; N81-K84 PolarHBondContact OD1-NZ 2.91Å; D82-K84 PolarHBondContact O-N 2.96Å; K84-R87 PolarHBondContact O-N 3.4Å; K84-T88 WeakPolarHBondContact O-CG2 3.3Å; K84-T88 PolarHBondContact O-N 3.45Å; K84-T88 PolarHBondContact O-OG1 3.12Å; K84-T88 VanDerWaalsContact O-OG1 3.1Å |
| 85 | S | 79.1 | Confident | 77.5 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 178.1 | 67.3 | 0 | 0 | 0 | 0 | 111 | N81 D82 T88 Q89 | N81-S85 PolarHBondContact O-N 2.92Å; D82-S85 WeakPolarHBondContact CA-OG 3.34Å; D82-S85 PolarHBondContact O-N 2.81Å; D82-S85 PolarHBondContact O-OG 3.34Å; S85-T88 WeakPolarHBondContact CA-OG1 3.34Å; S85-T88 PolarHBondContact O-N 3.3Å; S85-T88 PolarHBondContact O-OG1 3.36Å; S85-Q89 WeakPolarHBondContact O-CB 3.48Å; S85-Q89 PolarHBondContact O-N 3.23Å |
| 86 | I | 82.3 | Confident | 79.2 | Confident | 80 Ų | 80 | 93 Ų | 93 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 172.9 | -67.4 | 164.9 | 0 | 0 | 0 | 110.7 | D82 T88 Q89 E90 | D82-I86 WeakPolarHBondContact O-CB 3.44Å; D82-I86 WeakPolarHBondContact O-CD1 3.46Å; D82-I86 VanDerWaalsContact O-CG1 3.24Å; D82-I86 WeakPolarHBondContact O-CG1 3.31Å; D82-I86 PolarHBondContact O-N 3.24Å; I86-T88 VanDerWaalsContact C-N 3.31Å; I86-T88 PolarHBondContact O-N 3.49Å; I86-Q89 CarbonylContact O-C 3.58Å; I86-Q89 WeakPolarHBondContact O-CB 3.22Å; I86-Q89 PolarHBondContact O-N 3.15Å; I86-Q89 VanDerWaalsContact O-N 3.07Å; I86-E90 HydrophobicContact CG2-CG 4.23Å; I86-E90 WeakPolarHBondContact O-CB 3.41Å; I86-E90 WeakPolarHBondContact O-CG 3.21Å; I86-E90 PolarHBondContact O-N 3.3Å |
| 87 | R | 83.3 | Confident | 80.7 | Confident | 144 Ų | 144 | 92.9 Ų | 92.9 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 177.5 | -79.1 | -173.2 | -171.8 | 99.8 | -6 | 113.6 | L83 K84 K91 | L83-R87 WeakPolarHBondContact O-CB 3.45Å; L83-R87 VanDerWaalsContact O-CG 3.25Å; L83-R87 WeakPolarHBondContact O-CG 3.34Å; L83-R87 PolarHBondContact O-N 3.36Å; L83-R87 PolarHBondContact O-NH1 3.25Å; L83-R87 VanDerWaalsContact O-NH1 3.15Å; K84-R87 PolarHBondContact O-N 3.4Å; R87-K91 WeakPolarHBondContact O-CB 3.47Å; R87-K91 PolarHBondContact O-N 3.06Å |
| 88 | T | 84.8 | Confident | 82.1 | Confident | 92 Ų | 92 | 95.2 Ų | 95.2 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.4 | -34.2 | 173.7 | 49.8 | 0 | 0 | 0 | 0 | 112 | K84 S85 I86 A92 | K84-T88 WeakPolarHBondContact O-CG2 3.3Å; K84-T88 PolarHBondContact O-N 3.45Å; K84-T88 PolarHBondContact O-OG1 3.12Å; K84-T88 VanDerWaalsContact O-OG1 3.1Å; S85-T88 WeakPolarHBondContact CA-OG1 3.34Å; S85-T88 PolarHBondContact O-N 3.3Å; S85-T88 PolarHBondContact O-OG1 3.36Å; I86-T88 VanDerWaalsContact C-N 3.31Å; I86-T88 PolarHBondContact O-N 3.49Å; T88-A92 WeakPolarHBondContact O-CB 3.4Å; T88-A92 PolarHBondContact O-N 3.14Å |
| 89 | Q | 86.3 | Confident | 83.4 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.4 | -45.5 | 175.8 | -175 | 174.9 | -1.2 | 0 | 0 | 111.7 | S85 I86 K91 A92 Q93 | S85-Q89 WeakPolarHBondContact O-CB 3.48Å; S85-Q89 PolarHBondContact O-N 3.23Å; I86-Q89 CarbonylContact O-C 3.58Å; I86-Q89 WeakPolarHBondContact O-CB 3.22Å; I86-Q89 PolarHBondContact O-N 3.15Å; I86-Q89 VanDerWaalsContact O-N 3.07Å; Q89-K91 VanDerWaalsContact C-N 3.34Å; Q89-K91 PolarHBondContact O-N 3.4Å; Q89-A92 PolarHBondContact O-N 3.18Å; Q89-Q93 WeakPolarHBondContact O-CG 3.46Å; Q89-Q93 PolarHBondContact O-N 3.32Å |
| 90 | E | 86.6 | Confident | 84.7 | Confident | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 171.4 | -71.9 | 176 | 158.3 | 0 | 0 | 111.1 | I86 A92 Q93 L94 | I86-E90 HydrophobicContact CG2-CG 4.23Å; I86-E90 WeakPolarHBondContact O-CB 3.41Å; I86-E90 WeakPolarHBondContact O-CG 3.21Å; I86-E90 PolarHBondContact O-N 3.3Å; E90-A92 VanDerWaalsContact C-N 3.35Å; E90-A92 PolarHBondContact O-N 3.39Å; E90-Q93 PolarHBondContact O-N 2.88Å; E90-L94 WeakPolarHBondContact O-CB 3.48Å; E90-L94 VanDerWaalsContact O-CG 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.43Å; E90-L94 PolarHBondContact O-N 3.21Å |
| 91 | K | 87.9 | Confident | 85.9 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 175.5 | -174.3 | 180 | 177.4 | -173.9 | 0 | 111.9 | R87 Q89 L94 Q95 | R87-K91 WeakPolarHBondContact O-CB 3.47Å; R87-K91 PolarHBondContact O-N 3.06Å; Q89-K91 VanDerWaalsContact C-N 3.34Å; Q89-K91 PolarHBondContact O-N 3.4Å; K91-L94 PolarHBondContact O-N 3.41Å; K91-Q95 WeakPolarHBondContact O-CB 3.4Å; K91-Q95 PolarHBondContact O-N 2.9Å |
| 92 | A | 87.2 | Confident | 86.7 | Confident | 55 Ų | 55 | 99.5 Ų | 99.5 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T88 Q89 E90 Q95 D96 | T88-A92 WeakPolarHBondContact O-CB 3.4Å; T88-A92 PolarHBondContact O-N 3.14Å; Q89-A92 PolarHBondContact O-N 3.18Å; E90-A92 VanDerWaalsContact C-N 3.35Å; E90-A92 PolarHBondContact O-N 3.39Å; A92-Q95 PolarHBondContact O-N 2.89Å; A92-D96 PolarHBondContact O-N 3.46Å |
| 93 | Q | 87.7 | Confident | 87.6 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | 173.8 | -74.1 | 176.5 | -13.3 | 0 | 0 | 112.2 | Q89 E90 Q95 L97 | Q89-Q93 WeakPolarHBondContact O-CG 3.46Å; Q89-Q93 PolarHBondContact O-N 3.32Å; E90-Q93 PolarHBondContact O-N 2.88Å; Q93-Q95 VanDerWaalsContact C-N 3.27Å; Q93-Q95 PolarHBondContact O-N 3.48Å; Q93-L97 VanDerWaalsContact O-CB 3.27Å; Q93-L97 WeakPolarHBondContact O-CB 3.14Å; Q93-L97 PolarHBondContact O-N 2.88Å |
| 94 | L | 89.1 | Confident | 88.5 | Confident | 117 Ų | 117 | 100.8 Ų | 100.8 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -32.2 | 173 | -73.6 | 172.3 | 0 | 0 | 0 | 111.8 | E90 K91 N98 | E90-L94 WeakPolarHBondContact O-CB 3.48Å; E90-L94 VanDerWaalsContact O-CG 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.43Å; E90-L94 PolarHBondContact O-N 3.21Å; K91-L94 PolarHBondContact O-N 3.41Å; L94-N98 VanDerWaalsContact O-CB 3.25Å; L94-N98 WeakPolarHBondContact O-CB 3.3Å; L94-N98 PolarHBondContact O-N 3.36Å |
| 95 | Q | 89.2 | Confident | 89.2 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -51.2 | 173.7 | -174.6 | 172.1 | -14.8 | 0 | 0 | 111.4 | K91 A92 Q93 L97 N98 D99 | K91-Q95 WeakPolarHBondContact O-CB 3.4Å; K91-Q95 PolarHBondContact O-N 2.9Å; A92-Q95 PolarHBondContact O-N 2.89Å; Q93-Q95 VanDerWaalsContact C-N 3.27Å; Q93-Q95 PolarHBondContact O-N 3.48Å; Q95-L97 VanDerWaalsContact C-N 3.25Å; Q95-L97 PolarHBondContact O-N 3.39Å; Q95-N98 CarbonylContact O-C 3.56Å; Q95-N98 WeakPolarHBondContact O-CA 3.38Å; Q95-N98 WeakPolarHBondContact O-CB 3.39Å; Q95-N98 PolarHBondContact O-N 2.8Å; Q95-D99 WeakPolarHBondContact O-CB 3.39Å; Q95-D99 VanDerWaalsContact O-CG 3.22Å; Q95-D99 PolarHBondContact O-N 2.9Å |
| 96 | D | 91.9 | Very high | 89.9 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.8 | -38.7 | 173.8 | 171.5 | 53.2 | 0 | 0 | 0 | 112 | A92 R100 | A92-D96 PolarHBondContact O-N 3.46Å; D96-R100 VanDerWaalsContact CG-NE 3.31Å; D96-R100 VanDerWaalsContact CG-NH2 3.34Å; D96-R100 WeakPolarHBondContact O-CB 3.41Å; D96-R100 WeakPolarHBondContact O-CD 3.29Å; D96-R100 WeakPolarHBondContact O-CG 3.37Å; D96-R100 PolarHBondContact O-N 2.94Å; D96-R100 IonicContact OD1-CZ 3.45Å; D96-R100 IonicContact OD1-NE 2.69Å; D96-R100 PolarHBondContact OD1-NE 3.34Å; D96-R100 IonicContact OD1-NH2 3.7Å; D96-R100 PolarHBondContact OD1-NH2 3.01Å; D96-R100 VanDerWaalsContact OD1-NH2 3.14Å; D96-R100 IonicContact OD2-CZ 3.24Å; D96-R100 VanDerWaalsContact OD2-CZ 3.24Å; D96-R100 IonicContact OD2-NE 2.95Å; D96-R100 PolarHBondContact OD2-NE 3.13Å; D96-R100 IonicContact OD2-NH2 2.73Å; D96-R100 PolarHBondContact OD2-NH2 3.45Å |
| 97 | L | 91.9 | Very high | 90.6 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 174 | -166.5 | 71.8 | 0 | 0 | 0 | 112.3 | Q93 Q95 F101 | Q93-L97 VanDerWaalsContact O-CB 3.27Å; Q93-L97 WeakPolarHBondContact O-CB 3.14Å; Q93-L97 PolarHBondContact O-N 2.88Å; Q95-L97 VanDerWaalsContact C-N 3.25Å; Q95-L97 PolarHBondContact O-N 3.39Å; L97-F101 HydrophobicContact CD1-CE2 4.26Å; L97-F101 HydrophobicContact CD2-CE2 3.92Å; L97-F101 HydrophobicContact CG-CD2 4.05Å; L97-F101 HydrophobicContact CG-CE2 3.67Å; L97-F101 WeakPolarHBondContact O-CD2 3.38Å; L97-F101 WeakPolarHBondContact O-CG 3.49Å; L97-F101 PolarHBondContact O-N 3.08Å |
| 98 | N | 91.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -44.8 | 176.3 | -162.1 | -65.1 | 0 | 0 | 0 | 111.6 | L94 Q95 R100 F101 A102 | L94-N98 VanDerWaalsContact O-CB 3.25Å; L94-N98 WeakPolarHBondContact O-CB 3.3Å; L94-N98 PolarHBondContact O-N 3.36Å; Q95-N98 CarbonylContact O-C 3.56Å; Q95-N98 WeakPolarHBondContact O-CA 3.38Å; Q95-N98 WeakPolarHBondContact O-CB 3.39Å; Q95-N98 PolarHBondContact O-N 2.8Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 2.85Å; N98-F101 CarbonylContact O-C 3.51Å; N98-F101 WeakPolarHBondContact O-CA 3.3Å; N98-F101 WeakPolarHBondContact O-CB 3.43Å; N98-F101 PolarHBondContact O-N 3.34Å; N98-A102 PolarHBondContact O-N 3.08Å |
| 99 | D | 92 | Very high | 91.6 | Very high | 88 Ų | 88 | 101.9 Ų | 101.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.7 | -63.8 | -23.6 | 0 | 0 | 0 | 110.4 | Q95 A102 S103 | Q95-D99 WeakPolarHBondContact O-CB 3.39Å; Q95-D99 VanDerWaalsContact O-CG 3.22Å; Q95-D99 PolarHBondContact O-N 2.9Å; D99-A102 PolarHBondContact O-N 3.45Å; D99-S103 PolarHBondContact O-N 3.1Å |
| 100 | R | 93.3 | Very high | 92.1 | Very high | 149 Ų | 149 | 100.6 Ų | 100.6 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -44.2 | 169.7 | -70.2 | 169.3 | -163.5 | -144.8 | 12.5 | 112.5 | D96 N98 A102 S103 F104 | D96-R100 VanDerWaalsContact CG-NE 3.31Å; D96-R100 VanDerWaalsContact CG-NH2 3.34Å; D96-R100 WeakPolarHBondContact O-CB 3.41Å; D96-R100 WeakPolarHBondContact O-CD 3.29Å; D96-R100 WeakPolarHBondContact O-CG 3.37Å; D96-R100 PolarHBondContact O-N 2.94Å; D96-R100 IonicContact OD1-CZ 3.45Å; D96-R100 IonicContact OD1-NE 2.69Å; D96-R100 PolarHBondContact OD1-NE 3.34Å; D96-R100 IonicContact OD1-NH2 3.7Å; D96-R100 PolarHBondContact OD1-NH2 3.01Å; D96-R100 VanDerWaalsContact OD1-NH2 3.14Å; D96-R100 IonicContact OD2-CZ 3.24Å; D96-R100 VanDerWaalsContact OD2-CZ 3.24Å; D96-R100 IonicContact OD2-NE 2.95Å; D96-R100 PolarHBondContact OD2-NE 3.13Å; D96-R100 IonicContact OD2-NH2 2.73Å; D96-R100 PolarHBondContact OD2-NH2 3.45Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 2.85Å; R100-A102 VanDerWaalsContact C-N 3.33Å; R100-A102 PolarHBondContact O-N 3.46Å; R100-S103 PolarHBondContact O-N 3.19Å; R100-S103 PolarHBondContact O-OG 3.36Å; R100-F104 PolarHBondContact O-N 3.44Å |
| 101 | F | 93.7 | Very high | 92.5 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 174.5 | -79.3 | -54.3 | 0 | 0 | 0 | 112.6 | L97 N98 F104 I105 | L97-F101 HydrophobicContact CD1-CE2 4.26Å; L97-F101 HydrophobicContact CD2-CE2 3.92Å; L97-F101 HydrophobicContact CG-CD2 4.05Å; L97-F101 HydrophobicContact CG-CE2 3.67Å; L97-F101 WeakPolarHBondContact O-CD2 3.38Å; L97-F101 WeakPolarHBondContact O-CG 3.49Å; L97-F101 PolarHBondContact O-N 3.08Å; N98-F101 CarbonylContact O-C 3.51Å; N98-F101 WeakPolarHBondContact O-CA 3.3Å; N98-F101 WeakPolarHBondContact O-CB 3.43Å; N98-F101 PolarHBondContact O-N 3.34Å; F101-F104 PolarHBondContact O-N 3.13Å; F101-I105 WeakPolarHBondContact O-CB 3.42Å; F101-I105 VanDerWaalsContact O-CG1 3.24Å; F101-I105 WeakPolarHBondContact O-CG1 3.49Å; F101-I105 PolarHBondContact O-N 3.23Å |
| 102 | A | 91.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 96.4 Ų | 96.4 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N98 D99 R100 F104 I105 E106 | N98-A102 PolarHBondContact O-N 3.08Å; D99-A102 PolarHBondContact O-N 3.45Å; R100-A102 VanDerWaalsContact C-N 3.33Å; R100-A102 PolarHBondContact O-N 3.46Å; A102-F104 VanDerWaalsContact C-N 3.28Å; A102-F104 PolarHBondContact O-N 3.47Å; A102-I105 PolarHBondContact O-N 3.25Å; A102-I105 VanDerWaalsContact O-N 3.12Å; A102-E106 WeakPolarHBondContact O-CG 3.43Å; A102-E106 PolarHBondContact O-N 3.42Å |
| 103 | S | 93.3 | Very high | 93.3 | Very high | 64 Ų | 64 | 100.1 Ų | 100.1 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -34.2 | 175.6 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | D99 R100 R107 | D99-S103 PolarHBondContact O-N 3.1Å; R100-S103 PolarHBondContact O-N 3.19Å; R100-S103 PolarHBondContact O-OG 3.36Å; S103-R107 VanDerWaalsContact O-CB 3.31Å; S103-R107 WeakPolarHBondContact O-CB 3.11Å; S103-R107 PolarHBondContact O-N 3.28Å |
| 104 | F | 96.1 | Very high | 93.7 | Very high | 136 Ų | 136 | 99.2 Ų | 99.2 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.6 | -39.9 | 174.4 | -172.6 | -95.5 | 0 | 0 | 0 | 112.2 | R100 F101 A102 R107 V108 | R100-F104 PolarHBondContact O-N 3.44Å; F101-F104 PolarHBondContact O-N 3.13Å; A102-F104 VanDerWaalsContact C-N 3.28Å; A102-F104 PolarHBondContact O-N 3.47Å; F104-R107 PolarHBondContact O-N 3Å; F104-V108 HydrophobicContact CD1-CG2 4.06Å; F104-V108 HydrophobicContact CE1-CG2 3.69Å; F104-V108 HydrophobicContact CZ-CG2 4.06Å; F104-V108 VanDerWaalsContact O-CG2 3.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.2Å; F104-V108 PolarHBondContact O-N 2.82Å |
| 105 | I | 93.7 | Very high | 94 | Very high | 91 Ų | 91 | 98 Ų | 98 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.2 | -70.1 | 164 | 0 | 0 | 0 | 110.4 | F101 A102 R107 V108 H109 | F101-I105 WeakPolarHBondContact O-CB 3.42Å; F101-I105 VanDerWaalsContact O-CG1 3.24Å; F101-I105 WeakPolarHBondContact O-CG1 3.49Å; F101-I105 PolarHBondContact O-N 3.23Å; A102-I105 PolarHBondContact O-N 3.25Å; A102-I105 VanDerWaalsContact O-N 3.12Å; I105-R107 VanDerWaalsContact C-N 3.35Å; I105-V108 PolarHBondContact O-N 3.34Å; I105-H109 PolarHBondContact O-N 3.02Å; I105-H109 PolarHBondContact O-ND1 3.12Å |
| 106 | E | 94.4 | Very high | 94.3 | Very high | 132 Ų | 132 | 98.4 Ų | 98.4 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.7 | -47.8 | 172.8 | -73.7 | 177.4 | 171.5 | 0 | 0 | 110.6 | A102 V108 H109 E110 | A102-E106 WeakPolarHBondContact O-CG 3.43Å; A102-E106 PolarHBondContact O-N 3.42Å; E106-V108 VanDerWaalsContact C-N 3.32Å; E106-V108 PolarHBondContact O-N 3.21Å; E106-H109 WeakPolarHBondContact O-CB 3.47Å; E106-H109 PolarHBondContact O-N 3.19Å; E106-H109 VanDerWaalsContact O-N 3.1Å; E106-E110 WeakPolarHBondContact O-CG 3.42Å; E106-E110 PolarHBondContact O-N 3.3Å |
| 107 | R | 95.4 | Very high | 94.5 | Very high | 120 Ų | 120 | 99.3 Ų | 99.3 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 178.2 | -173.2 | 55.4 | -179.9 | 170.6 | 5.5 | 113.4 | S103 F104 I105 E110 L111 | S103-R107 VanDerWaalsContact O-CB 3.31Å; S103-R107 WeakPolarHBondContact O-CB 3.11Å; S103-R107 PolarHBondContact O-N 3.28Å; F104-R107 PolarHBondContact O-N 3Å; I105-R107 VanDerWaalsContact C-N 3.35Å; R107-E110 WeakPolarHBondContact CD-OE2 3.45Å; R107-E110 IonicContact CZ-OE2 3.14Å; R107-E110 IonicContact NE-OE2 2.88Å; R107-E110 IonicContact NH1-OE2 3.19Å; R107-E110 PolarHBondContact NH1-OE2 3.43Å; R107-L111 HydrophobicContact CG-CD1 4.3Å; R107-L111 WeakPolarHBondContact O-CB 3.21Å; R107-L111 VanDerWaalsContact O-CG 3.25Å; R107-L111 WeakPolarHBondContact O-CG 3.33Å; R107-L111 PolarHBondContact O-N 3.05Å |
| 108 | V | 96.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 100 Ų | 100 | 30% | 0.303 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 172.2 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | F104 I105 E106 E110 L111 E112 | F104-V108 HydrophobicContact CD1-CG2 4.06Å; F104-V108 HydrophobicContact CE1-CG2 3.69Å; F104-V108 HydrophobicContact CZ-CG2 4.06Å; F104-V108 VanDerWaalsContact O-CG2 3.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.2Å; F104-V108 PolarHBondContact O-N 2.82Å; I105-V108 PolarHBondContact O-N 3.34Å; E106-V108 VanDerWaalsContact C-N 3.32Å; E106-V108 PolarHBondContact O-N 3.21Å; V108-E110 PolarHBondContact O-N 2.9Å; V108-L111 PolarHBondContact O-N 3.09Å; V108-E112 HydrophobicContact CG1-CG 4.38Å; V108-E112 WeakPolarHBondContact O-CB 3.15Å; V108-E112 WeakPolarHBondContact O-CG 3.33Å; V108-E112 PolarHBondContact O-N 3.43Å |
| 109 | H | 94.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.5 | -77.3 | 74.8 | 0 | 0 | 0 | 112.2 | I105 E106 E112 Q113 | I105-H109 PolarHBondContact O-N 3.02Å; I105-H109 PolarHBondContact O-ND1 3.12Å; E106-H109 WeakPolarHBondContact O-CB 3.47Å; E106-H109 PolarHBondContact O-N 3.19Å; E106-H109 VanDerWaalsContact O-N 3.1Å; H109-E112 PolarHBondContact O-N 3.34Å; H109-Q113 WeakPolarHBondContact O-CB 3.43Å; H109-Q113 PolarHBondContact O-N 3.46Å |
| 110 | E | 96.1 | Very high | 94.9 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 172.3 | -71.6 | -177.9 | 158.4 | 0 | 0 | 111.6 | E106 R107 V108 Q113 Q114 | E106-E110 WeakPolarHBondContact O-CG 3.42Å; E106-E110 PolarHBondContact O-N 3.3Å; R107-E110 WeakPolarHBondContact CD-OE2 3.45Å; R107-E110 IonicContact CZ-OE2 3.14Å; R107-E110 IonicContact NE-OE2 2.88Å; R107-E110 IonicContact NH1-OE2 3.19Å; R107-E110 PolarHBondContact NH1-OE2 3.43Å; V108-E110 PolarHBondContact O-N 2.9Å; E110-Q113 PolarHBondContact O-N 3.07Å; E110-Q114 WeakPolarHBondContact O-CB 3.46Å; E110-Q114 VanDerWaalsContact O-CG 3.28Å; E110-Q114 WeakPolarHBondContact O-CG 3.46Å; E110-Q114 PolarHBondContact O-N 3.16Å |
| 111 | L | 95.8 | Very high | 95 | Very high | 74 Ų | 74 | 97.3 Ų | 97.3 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 179.8 | -72.5 | 170.1 | 0 | 0 | 0 | 112.3 | R107 V108 Q114 N115 | R107-L111 HydrophobicContact CG-CD1 4.3Å; R107-L111 WeakPolarHBondContact O-CB 3.21Å; R107-L111 VanDerWaalsContact O-CG 3.25Å; R107-L111 WeakPolarHBondContact O-CG 3.33Å; R107-L111 PolarHBondContact O-N 3.05Å; V108-L111 PolarHBondContact O-N 3.09Å; L111-Q114 PolarHBondContact O-N 2.86Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.25Å; L111-N115 PolarHBondContact O-ND2 2.77Å |
| 112 | E | 95 | Very high | 94.8 | Very high | 89 Ų | 89 | 95.6 Ų | 95.6 | 42% | 0.416 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 171.5 | -78.7 | -171.8 | -161.8 | 0 | 0 | 112 | V108 H109 N115 K116 | V108-E112 HydrophobicContact CG1-CG 4.38Å; V108-E112 WeakPolarHBondContact O-CB 3.15Å; V108-E112 WeakPolarHBondContact O-CG 3.33Å; V108-E112 PolarHBondContact O-N 3.43Å; H109-E112 PolarHBondContact O-N 3.34Å; E112-N115 PolarHBondContact O-N 3.5Å; E112-K116 WeakPolarHBondContact O-CB 3.32Å; E112-K116 WeakPolarHBondContact O-CD 3.47Å; E112-K116 VanDerWaalsContact O-CG 3.25Å; E112-K116 WeakPolarHBondContact O-CG 3.21Å; E112-K116 PolarHBondContact O-N 3.38Å; E112-K116 IonicContact OE2-NZ 3.64Å; E112-K116 PolarHBondContact OE2-NZ 3.41Å |
| 113 | Q | 96.1 | Very high | 94.8 | Very high | 134 Ų | 134 | 99.1 Ų | 99.1 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 176.7 | -170.6 | 174.9 | 13.5 | 0 | 0 | 111 | H109 E110 K116 V117 | H109-Q113 WeakPolarHBondContact O-CB 3.43Å; H109-Q113 PolarHBondContact O-N 3.46Å; E110-Q113 PolarHBondContact O-N 3.07Å; Q113-K116 PolarHBondContact O-N 3.05Å; Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 3.34Å |
| 114 | Q | 96.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.7 | -73.8 | 174.9 | 3.9 | 0 | 0 | 111.8 | E110 L111 V117 L118 | E110-Q114 WeakPolarHBondContact O-CB 3.46Å; E110-Q114 VanDerWaalsContact O-CG 3.28Å; E110-Q114 WeakPolarHBondContact O-CG 3.46Å; E110-Q114 PolarHBondContact O-N 3.16Å; L111-Q114 PolarHBondContact O-N 2.86Å; Q114-V117 PolarHBondContact O-N 3.04Å; Q114-L118 WeakPolarHBondContact O-CG 3.45Å; Q114-L118 PolarHBondContact O-N 3.27Å |
| 115 | N | 95.5 | Very high | 94 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.5 | -79.4 | -25.5 | 0 | 0 | 0 | 111.9 | L111 E112 V117 L118 E119 | L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.25Å; L111-N115 PolarHBondContact O-ND2 2.77Å; E112-N115 PolarHBondContact O-N 3.5Å; N115-V117 VanDerWaalsContact C-N 3.28Å; N115-V117 PolarHBondContact O-N 3.36Å; N115-L118 PolarHBondContact O-N 2.77Å; N115-E119 WeakPolarHBondContact O-CB 3.49Å; N115-E119 VanDerWaalsContact O-CG 3.31Å; N115-E119 WeakPolarHBondContact O-CG 3.42Å; N115-E119 PolarHBondContact O-N 3.21Å |
| 116 | K | 96.4 | Very high | 93.6 | Very high | 121 Ų | 121 | 100.6 Ų | 100.6 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 175.6 | -74 | 160.8 | -174.7 | 153.4 | 0 | 112.4 | E112 Q113 A120 | E112-K116 WeakPolarHBondContact O-CB 3.32Å; E112-K116 WeakPolarHBondContact O-CD 3.47Å; E112-K116 VanDerWaalsContact O-CG 3.25Å; E112-K116 WeakPolarHBondContact O-CG 3.21Å; E112-K116 PolarHBondContact O-N 3.38Å; E112-K116 IonicContact OE2-NZ 3.64Å; E112-K116 PolarHBondContact OE2-NZ 3.41Å; Q113-K116 PolarHBondContact O-N 3.05Å; K116-A120 WeakPolarHBondContact O-CB 3.49Å; K116-A120 PolarHBondContact O-N 3.22Å; K116-A120 VanDerWaalsContact O-N 3.14Å |
| 117 | V | 96.2 | Very high | 92.9 | Very high | 92 Ų | 92 | 100.5 Ų | 100.5 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.9 | -45.3 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | Q113 Q114 N115 E119 A120 E121 | Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 3.34Å; Q114-V117 PolarHBondContact O-N 3.04Å; N115-V117 VanDerWaalsContact C-N 3.28Å; N115-V117 PolarHBondContact O-N 3.36Å; V117-E119 PolarHBondContact O-N 3.35Å; V117-A120 PolarHBondContact O-N 3.13Å; V117-E121 PolarHBondContact O-N 3.12Å |
| 118 | L | 95.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 177.5 | -70.6 | 170.2 | 0 | 0 | 0 | 112.5 | Q114 N115 E121 L122 | Q114-L118 WeakPolarHBondContact O-CG 3.45Å; Q114-L118 PolarHBondContact O-N 3.27Å; N115-L118 PolarHBondContact O-N 2.77Å; L118-E121 PolarHBondContact O-N 3.43Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.22Å |
| 119 | E | 94.4 | Very high | 90.8 | Very high | 124 Ų | 124 | 107 Ų | 107 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 173.3 | -76 | 173.2 | 178.3 | 0 | 0 | 111.5 | N115 V117 L122 L123 | N115-E119 WeakPolarHBondContact O-CB 3.49Å; N115-E119 VanDerWaalsContact O-CG 3.31Å; N115-E119 WeakPolarHBondContact O-CG 3.42Å; N115-E119 PolarHBondContact O-N 3.21Å; V117-E119 PolarHBondContact O-N 3.35Å; E119-L122 PolarHBondContact O-N 3.37Å; E119-L123 WeakPolarHBondContact O-CG 3.39Å; E119-L123 PolarHBondContact O-N 3.3Å |
| 120 | A | 93.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 105.6 Ų | 105.6 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K116 V117 L123 V124 | K116-A120 WeakPolarHBondContact O-CB 3.49Å; K116-A120 PolarHBondContact O-N 3.22Å; K116-A120 VanDerWaalsContact O-N 3.14Å; V117-A120 PolarHBondContact O-N 3.13Å; A120-L123 PolarHBondContact O-N 3.01Å; A120-V124 WeakPolarHBondContact O-CG2 3.48Å; A120-V124 PolarHBondContact O-N 2.72Å |
| 121 | E | 94.3 | Very high | 88.1 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.2 | -174.9 | 174.4 | -170.7 | 0 | 0 | 111.5 | V117 L118 L123 V124 L125 | V117-E121 PolarHBondContact O-N 3.12Å; L118-E121 PolarHBondContact O-N 3.43Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.05Å; E121-V124 PolarHBondContact O-N 3.03Å; E121-L125 HydrophobicContact CG-CD1 4.13Å; E121-L125 WeakPolarHBondContact O-CB 3.46Å; E121-L125 WeakPolarHBondContact O-CG 3.29Å; E121-L125 PolarHBondContact O-N 3.01Å |
| 122 | L | 90.8 | Very high | 86.7 | Confident | 82 Ų | 82 | 109.2 Ų | 109.2 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.9 | -170.9 | 159 | 0 | 0 | 0 | 111.7 | L118 E119 L125 R126 | L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.22Å; E119-L122 PolarHBondContact O-N 3.37Å; L122-L125 PolarHBondContact O-N 3.19Å; L122-R126 HydrophobicContact CD2-CG 4.13Å; L122-R126 WeakPolarHBondContact O-CB 3.48Å; L122-R126 WeakPolarHBondContact O-CG 3.16Å; L122-R126 PolarHBondContact O-N 3.01Å |
| 123 | L | 90 | Very high | 85.7 | Confident | 113 Ų | 113 | 108 Ų | 108 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -45.8 | 173.3 | -77.4 | 170.2 | 0 | 0 | 0 | 112 | E119 A120 E121 L125 R126 Q127 | E119-L123 WeakPolarHBondContact O-CG 3.39Å; E119-L123 PolarHBondContact O-N 3.3Å; A120-L123 PolarHBondContact O-N 3.01Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.05Å; L123-L125 PolarHBondContact O-N 3.02Å; L123-R126 PolarHBondContact O-N 3.3Å; L123-Q127 WeakPolarHBondContact O-CB 3.39Å; L123-Q127 PolarHBondContact O-N 3.44Å |
| 124 | V | 88.6 | Confident | 85 | Confident | 70 Ų | 70 | 111.1 Ų | 111.1 | 42% | 0.424 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | A120 E121 Q127 K128 | A120-V124 WeakPolarHBondContact O-CG2 3.48Å; A120-V124 PolarHBondContact O-N 2.72Å; E121-V124 PolarHBondContact O-N 3.03Å; V124-Q127 PolarHBondContact O-N 2.93Å; V124-K128 HydrophobicContact CG1-CD 4.33Å; V124-K128 WeakPolarHBondContact O-CG 3.25Å; V124-K128 PolarHBondContact O-N 3.16Å |
| 125 | L | 85.9 | Confident | 84.4 | Confident | 81 Ų | 81 | 113.1 Ų | 113.1 | 42% | 0.424 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -43.4 | 175.2 | -72.5 | 172 | 0 | 0 | 0 | 111.6 | E121 L122 L123 Q127 K128 H129 | E121-L125 HydrophobicContact CG-CD1 4.13Å; E121-L125 WeakPolarHBondContact O-CB 3.46Å; E121-L125 WeakPolarHBondContact O-CG 3.29Å; E121-L125 PolarHBondContact O-N 3.01Å; L122-L125 PolarHBondContact O-N 3.19Å; L123-L125 PolarHBondContact O-N 3.02Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 3.03Å; L125-K128 PolarHBondContact O-N 2.76Å; L125-H129 PolarHBondContact O-CD2 2.87Å; L125-H129 PolarHBondContact O-N 3.09Å |
| 126 | R | 83.9 | Confident | 84 | Confident | 172 Ų | 172 | 116.1 Ų | 116.1 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.1 | -42.9 | 173.7 | -81.9 | -174.1 | 174.5 | 162.3 | 0.6 | 111.9 | L122 L123 H129 S130 | L122-R126 HydrophobicContact CD2-CG 4.13Å; L122-R126 WeakPolarHBondContact O-CB 3.48Å; L122-R126 WeakPolarHBondContact O-CG 3.16Å; L122-R126 PolarHBondContact O-N 3.01Å; L123-R126 PolarHBondContact O-N 3.3Å; R126-H129 CarbonylContact O-C 3.53Å; R126-H129 PolarHBondContact O-N 3.33Å; R126-S130 WeakPolarHBondContact O-CB 3.31Å; R126-S130 PolarHBondContact O-N 3.23Å; R126-S130 PolarHBondContact O-OG 3.28Å |
| 127 | Q | 80.3 | Confident | 83.6 | Confident | 129 Ų | 129 | 112.9 Ų | 112.9 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -44.9 | 177.5 | -168.2 | 176.4 | 12.5 | 0 | 0 | 111.6 | L123 V124 L125 H129 S130 E131 | L123-Q127 WeakPolarHBondContact O-CB 3.39Å; L123-Q127 PolarHBondContact O-N 3.44Å; V124-Q127 PolarHBondContact O-N 2.93Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 3.03Å; Q127-H129 VanDerWaalsContact C-N 3.28Å; Q127-H129 PolarHBondContact O-N 3.25Å; Q127-S130 WeakPolarHBondContact CA-OG 3.39Å; Q127-S130 PolarHBondContact O-N 3.03Å; Q127-S130 PolarHBondContact O-OG 2.98Å; Q127-E131 PolarHBondContact O-N 2.97Å |
| 128 | K | 78.1 | Confident | 83.4 | Confident | 146 Ų | 146 | 112.6 Ų | 112.6 | 64% | 0.635 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.2 | -30.3 | 175.3 | -73.1 | 175 | 179.5 | 178 | 0 | 113.7 | V124 L125 | V124-K128 HydrophobicContact CG1-CD 4.33Å; V124-K128 WeakPolarHBondContact O-CG 3.25Å; V124-K128 PolarHBondContact O-N 3.16Å; L125-K128 PolarHBondContact O-N 2.76Å |
| 129 | H | 69.3 | Low | 83.3 | Confident | 160 Ų | 160 | 115.4 Ų | 115.4 | 74% | 0.741 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -91 | -14.3 | 176.9 | -75.2 | -64.2 | 0 | 0 | 0 | 114.2 | L125 R126 Q127 | L125-H129 PolarHBondContact O-CD2 2.87Å; L125-H129 PolarHBondContact O-N 3.09Å; R126-H129 CarbonylContact O-C 3.53Å; R126-H129 PolarHBondContact O-N 3.33Å; Q127-H129 VanDerWaalsContact C-N 3.28Å; Q127-H129 PolarHBondContact O-N 3.25Å |
| 130 | S | 67.6 | Low | 83.3 | Confident | 85 Ų | 85 | 113.8 Ų | 113.8 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.2 | -20.9 | 173.3 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | R126 Q127 P132 | R126-S130 WeakPolarHBondContact O-CB 3.31Å; R126-S130 PolarHBondContact O-N 3.23Å; R126-S130 PolarHBondContact O-OG 3.28Å; Q127-S130 WeakPolarHBondContact CA-OG 3.39Å; Q127-S130 PolarHBondContact O-N 3.03Å; Q127-S130 PolarHBondContact O-OG 2.98Å; S130-P132 VanDerWaalsContact O-CD 3.28Å; S130-P132 WeakPolarHBondContact O-CD 3.28Å |
| 131 | E | 66.6 | Low | 83.4 | Confident | 137 Ų | 137 | 115.8 Ų | 115.8 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -61.4 | 113.9 | 167.6 | -70.5 | -79.9 | 131.7 | 0 | 0 | 109.1 | Q127 S133 | Q127-E131 PolarHBondContact O-N 2.97Å; E131-S133 PolarHBondContact O-N 3.16Å; E131-S133 VanDerWaalsContact O-N 3.11Å |
| 132 | P | 65.2 | Low | 83.5 | Confident | 106 Ų | 106 | 115.7 Ų | 115.7 | 69% | 0.688 | 56% | 0.557 | S | S | * | * | trans | -63.6 | 118.7 | 176.9 | 25.9 | -32.4 | 0 | 0 | 0 | 108.9 | S130 R134 | S130-P132 VanDerWaalsContact O-CD 3.28Å; S130-P132 WeakPolarHBondContact O-CD 3.28Å; P132-R134 PolarHBondContact O-N 2.88Å; P132-R134 VanDerWaalsContact O-N 3.13Å | ||
| 133 | S | 75.3 | Confident | 83.8 | Confident | 65 Ų | 65 | 115.5 Ų | 115.5 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | trans | -51.1 | 123 | -177.4 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | E131 F135 R136 A137 | E131-S133 PolarHBondContact O-N 3.16Å; E131-S133 VanDerWaalsContact O-N 3.11Å; S133-F135 PolarHBondContact O-N 3.39Å; S133-R136 WeakPolarHBondContact O-CA 3.46Å; S133-R136 VanDerWaalsContact O-CB 3.24Å; S133-R136 WeakPolarHBondContact O-CB 3.07Å; S133-R136 PolarHBondContact O-N 3.3Å; S133-A137 PolarHBondContact O-N 3.21Å | ||
| 134 | R | 80.7 | Confident | 84.1 | Confident | 198 Ų | 198 | 116.5 Ų | 116.5 | 75% | 0.747 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -50.6 | -34.3 | 178 | 173.1 | 178.4 | 155.3 | -170.9 | -6.5 | 112.6 | P132 A137 L138 | P132-R134 PolarHBondContact O-N 2.88Å; P132-R134 VanDerWaalsContact O-N 3.13Å; R134-A137 PolarHBondContact O-N 3.08Å; R134-L138 HydrophobicContact CG-CD1 4.38Å; R134-L138 WeakPolarHBondContact O-CG 3.37Å; R134-L138 PolarHBondContact O-N 2.79Å; R134-L138 VanDerWaalsContact O-N 3.08Å |
| 135 | F | 83.7 | Confident | 84.6 | Confident | 140 Ų | 140 | 116.3 Ų | 116.3 | 61% | 0.614 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 174.6 | -66.5 | -74.4 | 0 | 0 | 0 | 112.8 | S133 L138 Y139 | S133-F135 PolarHBondContact O-N 3.39Å; F135-L138 PolarHBondContact O-N 3.13Å; F135-Y139 HydrophobicContact CB-CE2 4.42Å; F135-Y139 WeakPolarHBondContact O-CD2 3.24Å; F135-Y139 PolarHBondContact O-N 2.8Å |
| 136 | R | 87.2 | Confident | 85.2 | Confident | 156 Ų | 156 | 117.5 Ų | 117.5 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62 | -44.2 | 174.4 | 178.5 | -180 | 171 | 168.5 | 1.2 | 110.8 | S133 L138 Y139 E140 | S133-R136 WeakPolarHBondContact O-CA 3.46Å; S133-R136 VanDerWaalsContact O-CB 3.24Å; S133-R136 WeakPolarHBondContact O-CB 3.07Å; S133-R136 PolarHBondContact O-N 3.3Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-L138 PolarHBondContact O-N 2.75Å; R136-Y139 PolarHBondContact O-N 2.84Å; R136-E140 HydrophobicContact CG-CG 4.28Å; R136-E140 IonicContact CZ-OE1 3.66Å; R136-E140 VanDerWaalsContact CZ-OE1 3.26Å; R136-E140 IonicContact NE-OE1 3.73Å; R136-E140 PolarHBondContact NE-OE1 2.97Å; R136-E140 IonicContact NE-OE2 3.65Å; R136-E140 IonicContact NH2-OE1 2.69Å; R136-E140 PolarHBondContact NH2-OE1 2.85Å; R136-E140 VanDerWaalsContact O-CB 3.32Å; R136-E140 WeakPolarHBondContact O-CB 3.34Å; R136-E140 WeakPolarHBondContact O-CG 3.4Å; R136-E140 PolarHBondContact O-N 3.44Å |
| 137 | A | 88 | Confident | 85.8 | Confident | 53 Ų | 53 | 116.6 Ų | 116.6 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S133 R134 E140 Q141 | S133-A137 PolarHBondContact O-N 3.21Å; R134-A137 PolarHBondContact O-N 3.08Å; A137-E140 PolarHBondContact O-N 3.33Å; A137-Q141 PolarHBondContact O-N 3.17Å |
| 138 | L | 91.9 | Very high | 86.7 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 45% | 0.45 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 174.4 | -70.1 | 169.6 | 0 | 0 | 0 | 112.1 | R134 F135 R136 Q141 E142 | R134-L138 HydrophobicContact CG-CD1 4.38Å; R134-L138 WeakPolarHBondContact O-CG 3.37Å; R134-L138 PolarHBondContact O-N 2.79Å; R134-L138 VanDerWaalsContact O-N 3.08Å; F135-L138 PolarHBondContact O-N 3.13Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-L138 PolarHBondContact O-N 2.75Å; L138-Q141 WeakPolarHBondContact O-CB 3.2Å; L138-Q141 PolarHBondContact O-N 2.73Å; L138-Q141 VanDerWaalsContact O-N 3.16Å; L138-E142 PolarHBondContact O-N 2.89Å |
| 139 | Y | 93.4 | Very high | 87.6 | Confident | 159 Ų | 159 | 110.5 Ų | 110.5 | 62% | 0.624 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -35.6 | 175 | -70.8 | -58.8 | 0 | 0 | 0 | 112.7 | F135 R136 Q141 E142 I143 | F135-Y139 HydrophobicContact CB-CE2 4.42Å; F135-Y139 WeakPolarHBondContact O-CD2 3.24Å; F135-Y139 PolarHBondContact O-N 2.8Å; R136-Y139 PolarHBondContact O-N 2.84Å; Y139-Q141 PolarHBondContact O-N 2.98Å; Y139-E142 PolarHBondContact O-N 3.39Å; Y139-I143 VanDerWaalsContact O-CB 3.29Å; Y139-I143 WeakPolarHBondContact O-CB 3.4Å; Y139-I143 WeakPolarHBondContact O-CD1 3.42Å; Y139-I143 WeakPolarHBondContact O-CG1 3.37Å; Y139-I143 PolarHBondContact O-N 3.47Å |
| 140 | E | 94.1 | Very high | 89 | Confident | 90 Ų | 90 | 105.5 Ų | 105.5 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -19.5 | 173.3 | -75.2 | 174.9 | 169.3 | 0 | 0 | 112.7 | R136 A137 R144 | R136-E140 HydrophobicContact CG-CG 4.28Å; R136-E140 IonicContact CZ-OE1 3.66Å; R136-E140 VanDerWaalsContact CZ-OE1 3.26Å; R136-E140 IonicContact NE-OE1 3.73Å; R136-E140 PolarHBondContact NE-OE1 2.97Å; R136-E140 IonicContact NE-OE2 3.65Å; R136-E140 IonicContact NH2-OE1 2.69Å; R136-E140 PolarHBondContact NH2-OE1 2.85Å; R136-E140 VanDerWaalsContact O-CB 3.32Å; R136-E140 WeakPolarHBondContact O-CB 3.34Å; R136-E140 WeakPolarHBondContact O-CG 3.4Å; R136-E140 PolarHBondContact O-N 3.44Å; A137-E140 PolarHBondContact O-N 3.33Å; E140-R144 WeakPolarHBondContact O-CG 3.48Å; E140-R144 PolarHBondContact O-NE 3.34Å |
| 141 | Q | 95.8 | Very high | 90.4 | Very high | 93 Ų | 93 | 106.6 Ų | 106.6 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78.9 | -54.5 | 166.6 | 178.5 | 172.7 | -13.3 | 0 | 0 | 111.1 | A137 L138 Y139 I143 R144 D145 | A137-Q141 PolarHBondContact O-N 3.17Å; L138-Q141 WeakPolarHBondContact O-CB 3.2Å; L138-Q141 PolarHBondContact O-N 2.73Å; L138-Q141 VanDerWaalsContact O-N 3.16Å; Y139-Q141 PolarHBondContact O-N 2.98Å; Q141-I143 PolarHBondContact O-N 2.89Å; Q141-R144 WeakPolarHBondContact O-CA 3.4Å; Q141-R144 WeakPolarHBondContact O-CB 3.25Å; Q141-R144 PolarHBondContact O-N 3.39Å; Q141-D145 VanDerWaalsContact CG-OD2 3.26Å; Q141-D145 WeakPolarHBondContact CG-OD2 3.35Å; Q141-D145 PolarHBondContact NE2-OD2 3.41Å; Q141-D145 PolarHBondContact O-N 2.91Å |
| 142 | E | 96.9 | Very high | 91.9 | Very high | 108 Ų | 108 | 104.3 Ų | 104.3 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -52.3 | -42.3 | 178.2 | -169.9 | 68.8 | -155.7 | 0 | 0 | 111.9 | L138 Y139 R144 D145 L146 | L138-E142 PolarHBondContact O-N 2.89Å; Y139-E142 PolarHBondContact O-N 3.39Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 2.97Å; E142-D145 PolarHBondContact O-N 3.47Å; E142-L146 HydrophobicContact CG-CD1 4Å; E142-L146 HydrophobicContact CG-CG 4.46Å; E142-L146 VanDerWaalsContact O-CB 3.27Å; E142-L146 WeakPolarHBondContact O-CB 3.42Å; E142-L146 VanDerWaalsContact O-CG 3.22Å; E142-L146 WeakPolarHBondContact O-CG 3.31Å; E142-L146 PolarHBondContact O-N 2.79Å |
| 143 | I | 97.1 | Very high | 93.4 | Very high | 79 Ų | 79 | 101.7 Ų | 101.7 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -27.8 | 176.6 | -70.2 | 165.9 | 0 | 0 | 0 | 112.8 | Y139 Q141 R147 | Y139-I143 VanDerWaalsContact O-CB 3.29Å; Y139-I143 WeakPolarHBondContact O-CB 3.4Å; Y139-I143 WeakPolarHBondContact O-CD1 3.42Å; Y139-I143 WeakPolarHBondContact O-CG1 3.37Å; Y139-I143 PolarHBondContact O-N 3.47Å; Q141-I143 PolarHBondContact O-N 2.89Å; I143-R147 VanDerWaalsContact CG2-CZ 3.49Å; I143-R147 WeakPolarHBondContact O-CB 3.39Å; I143-R147 WeakPolarHBondContact O-CD 3.41Å; I143-R147 WeakPolarHBondContact O-CG 3.27Å; I143-R147 PolarHBondContact O-N 3.48Å |
| 144 | R | 97.6 | Very high | 94.5 | Very high | 134 Ų | 134 | 101.9 Ų | 101.9 | 51% | 0.506 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.1 | -46.3 | 172.5 | -76.7 | 178.7 | -66.6 | 122.6 | -6 | 110.6 | E140 Q141 E142 L146 R147 L148 | E140-R144 WeakPolarHBondContact O-CG 3.48Å; E140-R144 PolarHBondContact O-NE 3.34Å; Q141-R144 WeakPolarHBondContact O-CA 3.4Å; Q141-R144 WeakPolarHBondContact O-CB 3.25Å; Q141-R144 PolarHBondContact O-N 3.39Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 2.97Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L146 PolarHBondContact O-N 3.28Å; R144-R147 WeakPolarHBondContact O-CA 3.43Å; R144-R147 WeakPolarHBondContact O-CB 3.4Å; R144-R147 PolarHBondContact O-N 3.3Å; R144-L148 WeakPolarHBondContact O-CG 3.3Å; R144-L148 PolarHBondContact O-N 2.78Å |
| 145 | D | 97.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 95.7 Ų | 95.7 | 35% | 0.353 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | -176.5 | -58.1 | -8.2 | 0 | 0 | 0 | 110.1 | Q141 E142 R147 L148 A149 | Q141-D145 VanDerWaalsContact CG-OD2 3.26Å; Q141-D145 WeakPolarHBondContact CG-OD2 3.35Å; Q141-D145 PolarHBondContact NE2-OD2 3.41Å; Q141-D145 PolarHBondContact O-N 2.91Å; E142-D145 PolarHBondContact O-N 3.47Å; D145-R147 VanDerWaalsContact C-N 3.33Å; D145-R147 PolarHBondContact O-N 2.94Å; D145-L148 PolarHBondContact O-N 3.05Å; D145-A149 WeakPolarHBondContact O-CB 3.4Å; D145-A149 PolarHBondContact O-N 2.94Å |
| 146 | L | 97.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 94.9 Ų | 94.9 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.7 | -27.7 | 170.5 | -71.8 | 172.1 | 0 | 0 | 0 | 114.3 | E142 R144 A150 | E142-L146 HydrophobicContact CG-CD1 4Å; E142-L146 HydrophobicContact CG-CG 4.46Å; E142-L146 VanDerWaalsContact O-CB 3.27Å; E142-L146 WeakPolarHBondContact O-CB 3.42Å; E142-L146 VanDerWaalsContact O-CG 3.22Å; E142-L146 WeakPolarHBondContact O-CG 3.31Å; E142-L146 PolarHBondContact O-N 2.79Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L146 PolarHBondContact O-N 3.28Å; L146-A150 WeakPolarHBondContact O-CB 3.45Å; L146-A150 PolarHBondContact O-N 3.39Å |
| 147 | R | 97.9 | Very high | 96.3 | Very high | 153 Ų | 153 | 93.6 Ų | 93.6 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -76 | -43.3 | 174.3 | -81.2 | 171 | -174.8 | 158.6 | 4.1 | 111.4 | I143 R144 D145 A150 E151 | I143-R147 VanDerWaalsContact CG2-CZ 3.49Å; I143-R147 WeakPolarHBondContact O-CB 3.39Å; I143-R147 WeakPolarHBondContact O-CD 3.41Å; I143-R147 WeakPolarHBondContact O-CG 3.27Å; I143-R147 PolarHBondContact O-N 3.48Å; R144-R147 WeakPolarHBondContact O-CA 3.43Å; R144-R147 WeakPolarHBondContact O-CB 3.4Å; R144-R147 PolarHBondContact O-N 3.3Å; D145-R147 VanDerWaalsContact C-N 3.33Å; D145-R147 PolarHBondContact O-N 2.94Å; R147-A150 PolarHBondContact O-N 3.08Å; R147-A150 VanDerWaalsContact O-N 3.16Å; R147-E151 WeakPolarHBondContact O-CB 3.3Å; R147-E151 WeakPolarHBondContact O-CG 3.32Å; R147-E151 PolarHBondContact O-N 3.45Å |
| 148 | L | 98.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 96.8 Ų | 96.8 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 174.5 | -68 | 171.7 | 0 | 0 | 0 | 110.1 | R144 D145 A150 E151 D152 | R144-L148 WeakPolarHBondContact O-CG 3.3Å; R144-L148 PolarHBondContact O-N 2.78Å; D145-L148 PolarHBondContact O-N 3.05Å; L148-A150 PolarHBondContact O-N 2.89Å; L148-E151 CarbonylContact O-C 3.6Å; L148-E151 PolarHBondContact O-N 2.79Å; L148-D152 WeakPolarHBondContact O-CB 3.38Å; L148-D152 VanDerWaalsContact O-CG 3.25Å; L148-D152 PolarHBondContact O-N 2.81Å |
| 149 | A | 97.6 | Very high | 96.7 | Very high | 57 Ų | 57 | 94.7 Ų | 94.7 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.6 | -32.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D145 A153 | D145-A149 WeakPolarHBondContact O-CB 3.4Å; D145-A149 PolarHBondContact O-N 2.94Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.33Å; A149-A153 PolarHBondContact O-N 3.28Å; A149-A153 VanDerWaalsContact O-N 3.08Å |
| 150 | A | 97.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 92.2 Ų | 92.2 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.4 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L146 R147 L148 T154 | L146-A150 WeakPolarHBondContact O-CB 3.45Å; L146-A150 PolarHBondContact O-N 3.39Å; R147-A150 PolarHBondContact O-N 3.08Å; R147-A150 VanDerWaalsContact O-N 3.16Å; L148-A150 PolarHBondContact O-N 2.89Å; A150-T154 WeakPolarHBondContact O-CG2 3.25Å; A150-T154 PolarHBondContact O-N 3.4Å; A150-T154 PolarHBondContact O-OG1 3.32Å |
| 151 | E | 98.1 | Very high | 96.6 | Very high | 108 Ų | 108 | 91.4 Ų | 91.4 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 174.7 | -74.3 | 168.5 | -159.8 | 0 | 0 | 110.3 | R147 L148 A153 T154 N155 | R147-E151 WeakPolarHBondContact O-CB 3.3Å; R147-E151 WeakPolarHBondContact O-CG 3.32Å; R147-E151 PolarHBondContact O-N 3.45Å; L148-E151 CarbonylContact O-C 3.6Å; L148-E151 PolarHBondContact O-N 2.79Å; E151-A153 PolarHBondContact O-N 2.82Å; E151-T154 WeakPolarHBondContact CA-OG1 3.36Å; E151-T154 CarbonylContact O-C 3.58Å; E151-T154 WeakPolarHBondContact O-CA 3.31Å; E151-T154 PolarHBondContact O-N 2.88Å; E151-T154 PolarHBondContact O-OG1 2.93Å; E151-N155 PolarHBondContact O-N 2.92Å; E151-N155 PolarHBondContact O-ND2 2.92Å |
| 152 | D | 97.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 88.9 Ų | 88.9 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.4 | -50.9 | 175.4 | -65.1 | -29.8 | 0 | 0 | 0 | 111.4 | L148 T154 N155 E156 | L148-D152 WeakPolarHBondContact O-CB 3.38Å; L148-D152 VanDerWaalsContact O-CG 3.25Å; L148-D152 PolarHBondContact O-N 2.81Å; D152-T154 PolarHBondContact O-N 3.12Å; D152-N155 WeakPolarHBondContact O-CA 3.41Å; D152-N155 WeakPolarHBondContact O-CB 3.47Å; D152-N155 PolarHBondContact O-N 3.4Å; D152-E156 PolarHBondContact O-N 3.16Å |
| 153 | A | 97 | Very high | 96.1 | Very high | 50 Ų | 50 | 89.6 Ų | 89.6 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -28.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A149 E151 K157 | A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.33Å; A149-A153 PolarHBondContact O-N 3.28Å; A149-A153 VanDerWaalsContact O-N 3.08Å; E151-A153 PolarHBondContact O-N 2.82Å; A153-K157 VanDerWaalsContact O-CB 3.22Å; A153-K157 WeakPolarHBondContact O-CB 3.42Å; A153-K157 PolarHBondContact O-N 2.84Å; A153-K157 VanDerWaalsContact O-N 3.12Å |
| 154 | T | 97.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 92 Ų | 92 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.2 | -28 | 171.7 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | A150 E151 D152 Q158 | A150-T154 WeakPolarHBondContact O-CG2 3.25Å; A150-T154 PolarHBondContact O-N 3.4Å; A150-T154 PolarHBondContact O-OG1 3.32Å; E151-T154 WeakPolarHBondContact CA-OG1 3.36Å; E151-T154 CarbonylContact O-C 3.58Å; E151-T154 WeakPolarHBondContact O-CA 3.31Å; E151-T154 PolarHBondContact O-N 2.88Å; E151-T154 PolarHBondContact O-OG1 2.93Å; D152-T154 PolarHBondContact O-N 3.12Å; T154-Q158 WeakPolarHBondContact O-CB 3.47Å; T154-Q158 VanDerWaalsContact O-CG 3.28Å; T154-Q158 WeakPolarHBondContact O-CG 3.07Å; T154-Q158 PolarHBondContact O-N 2.82Å; T154-Q158 VanDerWaalsContact O-N 3.12Å; T154-Q158 PolarHBondContact O-NE2 3.36Å |
| 155 | N | 97.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 90.5 Ų | 90.5 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.1 | -48.2 | 175.1 | -63.7 | -31.4 | 0 | 0 | 0 | 110.4 | E151 D152 K157 Q158 A159 | E151-N155 PolarHBondContact O-N 2.92Å; E151-N155 PolarHBondContact O-ND2 2.92Å; D152-N155 WeakPolarHBondContact O-CA 3.41Å; D152-N155 WeakPolarHBondContact O-CB 3.47Å; D152-N155 PolarHBondContact O-N 3.4Å; N155-K157 VanDerWaalsContact C-N 3.31Å; N155-K157 PolarHBondContact O-N 3.33Å; N155-Q158 WeakPolarHBondContact O-CB 3.34Å; N155-Q158 PolarHBondContact O-N 3.37Å; N155-A159 PolarHBondContact O-N 2.88Å |
| 156 | E | 97.3 | Very high | 95.2 | Very high | 123 Ų | 123 | 88.9 Ų | 88.9 | 58% | 0.575 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -54.8 | -47 | 172.5 | -71.2 | 177.5 | 176.8 | 0 | 0 | 111.3 | D152 Q158 A159 L160 | D152-E156 PolarHBondContact O-N 3.16Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.97Å; E156-A159 PolarHBondContact O-N 3.48Å; E156-L160 WeakPolarHBondContact O-CG 3.49Å; E156-L160 PolarHBondContact O-N 3.4Å |
| 157 | K | 96.1 | Very high | 94.8 | Very high | 129 Ų | 129 | 89.6 Ų | 89.6 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.3 | -41.4 | 175.6 | -178.7 | -173.5 | 169.6 | -171.2 | 0 | 112.2 | A153 N155 Q161 | A153-K157 VanDerWaalsContact O-CB 3.22Å; A153-K157 WeakPolarHBondContact O-CB 3.42Å; A153-K157 PolarHBondContact O-N 2.84Å; A153-K157 VanDerWaalsContact O-N 3.12Å; N155-K157 VanDerWaalsContact C-N 3.31Å; N155-K157 PolarHBondContact O-N 3.33Å; K157-Q161 WeakPolarHBondContact O-CB 3.21Å; K157-Q161 WeakPolarHBondContact O-CG 3.48Å; K157-Q161 PolarHBondContact O-N 3.48Å |
| 158 | Q | 93.9 | Very high | 94.2 | Very high | 120 Ų | 120 | 85.4 Ų | 85.4 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 178.1 | -79.5 | 168 | 68.9 | 0 | 0 | 111.9 | T154 N155 E156 Q161 G162 | T154-Q158 WeakPolarHBondContact O-CB 3.47Å; T154-Q158 VanDerWaalsContact O-CG 3.28Å; T154-Q158 WeakPolarHBondContact O-CG 3.07Å; T154-Q158 PolarHBondContact O-N 2.82Å; T154-Q158 VanDerWaalsContact O-N 3.12Å; T154-Q158 PolarHBondContact O-NE2 3.36Å; N155-Q158 WeakPolarHBondContact O-CB 3.34Å; N155-Q158 PolarHBondContact O-N 3.37Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.97Å; Q158-Q161 PolarHBondContact O-N 3.04Å; Q158-G162 PolarHBondContact O-N 3.27Å |
| 159 | A | 93.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 86.7 Ų | 86.7 | 35% | 0.347 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -51.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N155 E156 Q161 G162 E163 | N155-A159 PolarHBondContact O-N 2.88Å; E156-A159 PolarHBondContact O-N 3.48Å; A159-Q161 VanDerWaalsContact C-N 3.26Å; A159-Q161 PolarHBondContact O-N 3.46Å; A159-G162 PolarHBondContact O-N 3.28Å; A159-E163 PolarHBondContact O-N 2.8Å |
| 160 | L | 92.1 | Very high | 93.5 | Very high | 108 Ų | 108 | 87.6 Ų | 87.6 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.8 | -30.4 | 176.5 | -68.5 | 172.6 | 0 | 0 | 0 | 113.1 | E156 R164 | E156-L160 WeakPolarHBondContact O-CG 3.49Å; E156-L160 PolarHBondContact O-N 3.4Å; L160-R164 WeakPolarHBondContact O-CB 3.43Å; L160-R164 PolarHBondContact O-N 2.94Å |
| 161 | Q | 92.8 | Very high | 93.1 | Very high | 72 Ų | 72 | 89.3 Ų | 89.3 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 172.5 | -76.9 | -178.1 | -79.5 | 0 | 0 | 111.6 | K157 Q158 A159 R164 E165 | K157-Q161 WeakPolarHBondContact O-CB 3.21Å; K157-Q161 WeakPolarHBondContact O-CG 3.48Å; K157-Q161 PolarHBondContact O-N 3.48Å; Q158-Q161 PolarHBondContact O-N 3.04Å; A159-Q161 VanDerWaalsContact C-N 3.26Å; A159-Q161 PolarHBondContact O-N 3.46Å; Q161-R164 PolarHBondContact O-N 3.17Å; Q161-E165 WeakPolarHBondContact O-CB 3.45Å; Q161-E165 VanDerWaalsContact O-CG 3.32Å; Q161-E165 WeakPolarHBondContact O-CG 3.4Å; Q161-E165 PolarHBondContact O-N 3.39Å |
| 162 | G | 89 | Confident | 92.6 | Very high | 41 Ų | 41 | 90.3 Ų | 90.3 | 42% | 0.423 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q158 A159 R164 E165 G166 | Q158-G162 PolarHBondContact O-N 3.27Å; A159-G162 PolarHBondContact O-N 3.28Å; G162-R164 PolarHBondContact O-N 2.91Å; G162-E165 PolarHBondContact O-N 3.18Å; G162-G166 PolarHBondContact O-N 3.26Å |
| 163 | E | 93.8 | Very high | 92.2 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 173.3 | -72.2 | 174.2 | -166.3 | 0 | 0 | 111.8 | A159 G166 L167 | A159-E163 PolarHBondContact O-N 2.8Å; E163-G166 PolarHBondContact O-N 2.99Å; E163-L167 WeakPolarHBondContact O-CB 3.4Å; E163-L167 WeakPolarHBondContact O-CG 3.48Å; E163-L167 PolarHBondContact O-N 2.62Å |
| 164 | R | 90.9 | Very high | 91.6 | Very high | 129 Ų | 129 | 93.4 Ų | 93.4 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.9 | -166 | -162.4 | 76.1 | -159.8 | -11.2 | 111.6 | L160 Q161 G162 L167 E168 | L160-R164 WeakPolarHBondContact O-CB 3.43Å; L160-R164 PolarHBondContact O-N 2.94Å; Q161-R164 PolarHBondContact O-N 3.17Å; G162-R164 PolarHBondContact O-N 2.91Å; R164-L167 PolarHBondContact O-N 3.31Å; R164-E168 IonicContact CZ-OE1 2.65Å; R164-E168 IonicContact NE-OE1 3.87Å; R164-E168 PolarHBondContact NE-OE1 2.76Å; R164-E168 IonicContact NH2-OE1 3.64Å; R164-E168 WeakPolarHBondContact O-CB 3.37Å; R164-E168 VanDerWaalsContact O-CG 3.3Å; R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 3.32Å |
| 165 | E | 92.4 | Very high | 91.2 | Very high | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.9 | -75.6 | 168.9 | -165.9 | 0 | 0 | 111.5 | Q161 G162 E168 E169 | Q161-E165 WeakPolarHBondContact O-CB 3.45Å; Q161-E165 VanDerWaalsContact O-CG 3.32Å; Q161-E165 WeakPolarHBondContact O-CG 3.4Å; Q161-E165 PolarHBondContact O-N 3.39Å; G162-E165 PolarHBondContact O-N 3.18Å; E165-E168 PolarHBondContact O-N 2.91Å; E165-E169 PolarHBondContact O-N 2.85Å |
| 166 | G | 89.8 | Confident | 90.7 | Very high | 32 Ų | 32 | 94.2 Ų | 94.2 | 33% | 0.33 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | G162 E163 E169 T170 | G162-G166 PolarHBondContact O-N 3.26Å; E163-G166 PolarHBondContact O-N 2.99Å; G166-E169 PolarHBondContact O-N 2.92Å; G166-T170 WeakPolarHBondContact O-CG2 3.27Å; G166-T170 PolarHBondContact O-N 3.41Å; G166-T170 PolarHBondContact O-OG1 3.47Å |
| 167 | L | 89.1 | Confident | 90.3 | Very high | 122 Ų | 122 | 97 Ų | 97 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -36.9 | 174.3 | -72.4 | 173.9 | 0 | 0 | 0 | 112.5 | E163 R164 E169 T170 L171 | E163-L167 WeakPolarHBondContact O-CB 3.4Å; E163-L167 WeakPolarHBondContact O-CG 3.48Å; E163-L167 PolarHBondContact O-N 2.62Å; R164-L167 PolarHBondContact O-N 3.31Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-T170 PolarHBondContact O-OG1 3.5Å; L167-L171 VanDerWaalsContact O-CB 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 PolarHBondContact O-N 2.86Å |
| 168 | E | 86.1 | Confident | 90 | Very high | 64 Ų | 64 | 98.8 Ų | 98.8 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | 172.9 | -72.5 | 176.6 | -145.5 | 0 | 0 | 111.9 | R164 E165 R172 | R164-E168 IonicContact CZ-OE1 2.65Å; R164-E168 IonicContact NE-OE1 3.87Å; R164-E168 PolarHBondContact NE-OE1 2.76Å; R164-E168 IonicContact NH2-OE1 3.64Å; R164-E168 WeakPolarHBondContact O-CB 3.37Å; R164-E168 VanDerWaalsContact O-CG 3.3Å; R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 3.32Å; E165-E168 PolarHBondContact O-N 2.91Å; E168-R172 VanDerWaalsContact CB-NH1 3.34Å; E168-R172 VanDerWaalsContact O-CG 3.26Å; E168-R172 WeakPolarHBondContact O-CG 3.36Å; E168-R172 PolarHBondContact O-N 2.83Å; E168-R172 PolarHBondContact O-NH1 2.88Å; E168-R172 IonicContact OE2-CZ 3.55Å; E168-R172 IonicContact OE2-NH1 2.65Å; E168-R172 IonicContact OE2-NH2 2.62Å; E168-R172 PolarHBondContact OE2-NH2 2.86Å |
| 169 | E | 90.4 | Very high | 89.9 | Confident | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -45.7 | 174.8 | -175 | 171.7 | -170.6 | 0 | 0 | 112.1 | E165 G166 L167 L171 R172 N173 | E165-E169 PolarHBondContact O-N 2.85Å; G166-E169 PolarHBondContact O-N 2.92Å; L167-E169 VanDerWaalsContact C-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.4Å; E169-R172 PolarHBondContact O-N 3.39Å; E169-N173 WeakPolarHBondContact O-CB 3.47Å; E169-N173 VanDerWaalsContact O-CG 3.26Å; E169-N173 PolarHBondContact O-N 3.45Å; E169-N173 PolarHBondContact O-ND2 3.36Å |
| 170 | T | 90.3 | Very high | 89.6 | Confident | 76 Ų | 76 | 103.8 Ų | 103.8 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.9 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | G166 L167 N173 L174 | G166-T170 WeakPolarHBondContact O-CG2 3.27Å; G166-T170 PolarHBondContact O-N 3.41Å; G166-T170 PolarHBondContact O-OG1 3.47Å; L167-T170 PolarHBondContact O-OG1 3.5Å; T170-N173 PolarHBondContact O-N 3.43Å; T170-L174 WeakPolarHBondContact O-CB 3.35Å; T170-L174 WeakPolarHBondContact O-CG 3.34Å; T170-L174 PolarHBondContact O-N 2.87Å |
| 171 | L | 88.9 | Confident | 89.5 | Confident | 91 Ų | 91 | 104.7 Ų | 104.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174 | -177.5 | 149.4 | 0 | 0 | 0 | 112.2 | L167 E169 N173 L174 Q175 | L167-L171 VanDerWaalsContact O-CB 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 PolarHBondContact O-N 2.86Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.4Å; L171-N173 VanDerWaalsContact C-N 3.35Å; L171-N173 PolarHBondContact O-N 3.39Å; L171-L174 PolarHBondContact O-N 3.22Å; L171-Q175 HydrophobicContact CD2-CG 4.26Å; L171-Q175 WeakPolarHBondContact O-CB 3.32Å; L171-Q175 WeakPolarHBondContact O-CG 3.16Å; L171-Q175 PolarHBondContact O-N 2.94Å |
| 172 | R | 89.2 | Confident | 89.2 | Confident | 129 Ų | 129 | 103 Ų | 103 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 175 | -73.2 | 171.7 | -164.4 | 111 | 6.6 | 111.9 | E168 E169 Q175 A176 | E168-R172 VanDerWaalsContact CB-NH1 3.34Å; E168-R172 VanDerWaalsContact O-CG 3.26Å; E168-R172 WeakPolarHBondContact O-CG 3.36Å; E168-R172 PolarHBondContact O-N 2.83Å; E168-R172 PolarHBondContact O-NH1 2.88Å; E168-R172 IonicContact OE2-CZ 3.55Å; E168-R172 IonicContact OE2-NH1 2.65Å; E168-R172 IonicContact OE2-NH2 2.62Å; E168-R172 PolarHBondContact OE2-NH2 2.86Å; E169-R172 PolarHBondContact O-N 3.39Å; R172-Q175 PolarHBondContact O-N 3.03Å; R172-A176 WeakPolarHBondContact O-CB 3.34Å; R172-A176 PolarHBondContact O-N 3.5Å |
| 173 | N | 88 | Confident | 89.2 | Confident | 88 Ų | 88 | 106 Ų | 106 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 177.7 | -69.5 | -23.4 | 0 | 0 | 0 | 112 | E169 T170 L171 R177 | E169-N173 WeakPolarHBondContact O-CB 3.47Å; E169-N173 VanDerWaalsContact O-CG 3.26Å; E169-N173 PolarHBondContact O-N 3.45Å; E169-N173 PolarHBondContact O-ND2 3.36Å; T170-N173 PolarHBondContact O-N 3.43Å; L171-N173 VanDerWaalsContact C-N 3.35Å; L171-N173 PolarHBondContact O-N 3.39Å; N173-R177 WeakPolarHBondContact O-CG 3.21Å; N173-R177 PolarHBondContact O-N 2.93Å; N173-R177 VanDerWaalsContact O-N 3.11Å |
| 174 | L | 85 | Confident | 88.7 | Confident | 116 Ų | 116 | 103 Ų | 103 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.1 | -39.5 | 172.9 | -72.4 | 171.1 | 0 | 0 | 0 | 112.2 | T170 L171 R177 Y178 | T170-L174 WeakPolarHBondContact O-CB 3.35Å; T170-L174 WeakPolarHBondContact O-CG 3.34Å; T170-L174 PolarHBondContact O-N 2.87Å; L171-L174 PolarHBondContact O-N 3.22Å; L174-R177 PolarHBondContact O-N 3.45Å; L174-Y178 WeakPolarHBondContact O-CB 3.27Å; L174-Y178 PolarHBondContact O-N 3.22Å |
| 175 | Q | 90.1 | Very high | 88.7 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 173.9 | -76.6 | 177.7 | -29.3 | 0 | 0 | 111.8 | L171 R172 R177 Y178 E179 | L171-Q175 HydrophobicContact CD2-CG 4.26Å; L171-Q175 WeakPolarHBondContact O-CB 3.32Å; L171-Q175 WeakPolarHBondContact O-CG 3.16Å; L171-Q175 PolarHBondContact O-N 2.94Å; R172-Q175 PolarHBondContact O-N 3.03Å; Q175-R177 PolarHBondContact O-N 3.2Å; Q175-Y178 WeakPolarHBondContact O-CB 3.46Å; Q175-Y178 PolarHBondContact O-N 2.67Å; Q175-E179 WeakPolarHBondContact O-CG 3.42Å; Q175-E179 PolarHBondContact O-N 2.73Å |
| 176 | A | 86.1 | Confident | 88.6 | Confident | 52 Ų | 52 | 101.7 Ų | 101.7 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R172 E179 E180 | R172-A176 WeakPolarHBondContact O-CB 3.34Å; R172-A176 PolarHBondContact O-N 3.5Å; A176-E179 PolarHBondContact O-N 2.84Å; A176-E180 WeakPolarHBondContact O-CB 3.42Å; A176-E180 PolarHBondContact O-N 3.42Å |
| 177 | R | 88.6 | Confident | 88.5 | Confident | 181 Ų | 181 | 105.5 Ų | 105.5 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | 174.1 | -74.5 | -179.6 | 179.6 | -166.6 | 0.1 | 112.8 | N173 L174 Q175 E180 E181 | N173-R177 WeakPolarHBondContact O-CG 3.21Å; N173-R177 PolarHBondContact O-N 2.93Å; N173-R177 VanDerWaalsContact O-N 3.11Å; L174-R177 PolarHBondContact O-N 3.45Å; Q175-R177 PolarHBondContact O-N 3.2Å; R177-E180 PolarHBondContact O-N 2.93Å; R177-E181 WeakPolarHBondContact O-CB 3.4Å; R177-E181 PolarHBondContact O-N 3.39Å |
| 178 | Y | 88.9 | Confident | 88.2 | Confident | 166 Ų | 166 | 101.7 Ų | 101.7 | 65% | 0.651 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 175.5 | 173.4 | -95.7 | 0 | 0 | 0 | 111.8 | L174 Q175 E181 V182 | L174-Y178 WeakPolarHBondContact O-CB 3.27Å; L174-Y178 PolarHBondContact O-N 3.22Å; Q175-Y178 WeakPolarHBondContact O-CB 3.46Å; Q175-Y178 PolarHBondContact O-N 2.67Å; Y178-E181 PolarHBondContact O-N 3.24Å; Y178-V182 HydrophobicContact CD1-CG2 4.29Å; Y178-V182 HydrophobicContact CD2-CG2 4.45Å; Y178-V182 HydrophobicContact CE1-CG2 3.81Å; Y178-V182 HydrophobicContact CE2-CG2 4Å; Y178-V182 WeakPolarHBondContact O-CB 3.27Å; Y178-V182 VanDerWaalsContact O-CG2 3.27Å; Y178-V182 WeakPolarHBondContact O-CG2 3.38Å; Y178-V182 PolarHBondContact O-N 3.32Å |
| 179 | E | 92.1 | Very high | 88.4 | Confident | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 174.9 | -71.5 | 174.6 | -179.2 | 0 | 0 | 111.8 | Q175 A176 V182 L183 | Q175-E179 WeakPolarHBondContact O-CG 3.42Å; Q175-E179 PolarHBondContact O-N 2.73Å; A176-E179 PolarHBondContact O-N 2.84Å; E179-V182 PolarHBondContact O-N 3.47Å; E179-L183 WeakPolarHBondContact O-CG 3.34Å; E179-L183 PolarHBondContact O-N 2.85Å; E179-L183 VanDerWaalsContact O-N 3.1Å |
| 180 | E | 87.7 | Confident | 88.6 | Confident | 141 Ų | 141 | 99 Ų | 99 | 66% | 0.659 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 174.1 | -174.8 | 171.5 | -156.1 | 0 | 0 | 112.3 | A176 R177 L183 S184 | A176-E180 WeakPolarHBondContact O-CB 3.42Å; A176-E180 PolarHBondContact O-N 3.42Å; R177-E180 PolarHBondContact O-N 2.93Å; E180-L183 PolarHBondContact O-N 2.93Å; E180-S184 WeakPolarHBondContact O-CB 3.23Å; E180-S184 PolarHBondContact O-N 3.41Å |
| 181 | E | 90.9 | Very high | 88.6 | Confident | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -38 | 177.5 | -167.7 | 61.8 | -135.7 | 0 | 0 | 112.1 | R177 Y178 S184 R185 | R177-E181 WeakPolarHBondContact O-CB 3.4Å; R177-E181 PolarHBondContact O-N 3.39Å; Y178-E181 PolarHBondContact O-N 3.24Å; E181-S184 PolarHBondContact O-N 3.36Å; E181-R185 WeakPolarHBondContact O-CB 3.33Å; E181-R185 PolarHBondContact O-N 3.38Å |
| 182 | V | 86.6 | Confident | 88.6 | Confident | 38 Ų | 38 | 102.8 Ų | 102.8 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.4 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | Y178 E179 R185 E186 | Y178-V182 HydrophobicContact CD1-CG2 4.29Å; Y178-V182 HydrophobicContact CD2-CG2 4.45Å; Y178-V182 HydrophobicContact CE1-CG2 3.81Å; Y178-V182 HydrophobicContact CE2-CG2 4Å; Y178-V182 WeakPolarHBondContact O-CB 3.27Å; Y178-V182 VanDerWaalsContact O-CG2 3.27Å; Y178-V182 WeakPolarHBondContact O-CG2 3.38Å; Y178-V182 PolarHBondContact O-N 3.32Å; E179-V182 PolarHBondContact O-N 3.47Å; V182-R185 PolarHBondContact O-N 3.2Å; V182-E186 WeakPolarHBondContact O-CG 3.37Å; V182-E186 PolarHBondContact O-N 2.93Å |
| 183 | L | 88.6 | Confident | 89 | Confident | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.3 | -69 | 170.8 | 0 | 0 | 0 | 111.7 | E179 E180 R185 E186 D187 | E179-L183 WeakPolarHBondContact O-CG 3.34Å; E179-L183 PolarHBondContact O-N 2.85Å; E179-L183 VanDerWaalsContact O-N 3.1Å; E180-L183 PolarHBondContact O-N 2.93Å; L183-R185 VanDerWaalsContact C-N 3.32Å; L183-R185 PolarHBondContact O-N 3.39Å; L183-E186 PolarHBondContact O-N 2.71Å; L183-E186 VanDerWaalsContact O-N 3.16Å; L183-D187 PolarHBondContact O-N 3.42Å |
| 184 | S | 82.6 | Confident | 89.3 | Confident | 59 Ų | 59 | 105.3 Ų | 105.3 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 175 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | E180 E181 D187 A188 | E180-S184 WeakPolarHBondContact O-CB 3.23Å; E180-S184 PolarHBondContact O-N 3.41Å; E181-S184 PolarHBondContact O-N 3.36Å; S184-D187 PolarHBondContact O-N 2.97Å; S184-A188 WeakPolarHBondContact O-CB 3.4Å; S184-A188 PolarHBondContact O-N 2.93Å |
| 185 | R | 91.1 | Very high | 89.7 | Confident | 104 Ų | 104 | 103 Ų | 103 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.3 | -175.7 | -163 | 62.9 | 82.8 | 14.9 | 111.8 | E181 V182 L183 A188 E189 | E181-R185 WeakPolarHBondContact O-CB 3.33Å; E181-R185 PolarHBondContact O-N 3.38Å; V182-R185 PolarHBondContact O-N 3.2Å; L183-R185 VanDerWaalsContact C-N 3.32Å; L183-R185 PolarHBondContact O-N 3.39Å; R185-A188 PolarHBondContact O-N 2.99Å; R185-E189 IonicContact CZ-OE1 2.73Å; R185-E189 IonicContact CZ-OE2 2.87Å; R185-E189 IonicContact NH1-OE1 3.26Å; R185-E189 PolarHBondContact NH1-OE1 2.89Å; R185-E189 IonicContact NH1-OE2 2.75Å; R185-E189 PolarHBondContact NH1-OE2 3.43Å; R185-E189 WeakPolarHBondContact O-CB 3.4Å; R185-E189 WeakPolarHBondContact O-CG 3.29Å; R185-E189 PolarHBondContact O-N 3.21Å |
| 186 | E | 90.8 | Very high | 90 | Very high | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.6 | -73.7 | 177.5 | -177.6 | 0 | 0 | 111.9 | V182 L183 A188 E189 G190 | V182-E186 WeakPolarHBondContact O-CG 3.37Å; V182-E186 PolarHBondContact O-N 2.93Å; L183-E186 PolarHBondContact O-N 2.71Å; L183-E186 VanDerWaalsContact O-N 3.16Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.73Å; E186-E189 PolarHBondContact O-N 2.89Å; E186-G190 PolarHBondContact O-N 2.71Å |
| 187 | D | 87.9 | Confident | 90.5 | Very high | 112 Ų | 112 | 109.2 Ų | 109.2 | 60% | 0.599 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -32.4 | 174 | -80.6 | -14.9 | 0 | 0 | 0 | 112.6 | L183 S184 R191 | L183-D187 PolarHBondContact O-N 3.42Å; S184-D187 PolarHBondContact O-N 2.97Å; D187-R191 WeakPolarHBondContact O-CG 3.47Å; D187-R191 PolarHBondContact O-N 3.23Å; D187-R191 PolarHBondContact O-NE 3.35Å |
| 188 | A | 82.6 | Confident | 91 | Very high | 43 Ų | 43 | 102.2 Ų | 102.2 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S184 R185 E186 R191 L192 | S184-A188 WeakPolarHBondContact O-CB 3.4Å; S184-A188 PolarHBondContact O-N 2.93Å; R185-A188 PolarHBondContact O-N 2.99Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.73Å; A188-R191 PolarHBondContact O-N 2.92Å; A188-L192 WeakPolarHBondContact O-CB 3.45Å; A188-L192 PolarHBondContact O-N 2.91Å |
| 189 | E | 91.1 | Very high | 91.4 | Very high | 92 Ų | 92 | 97.1 Ų | 97.1 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 175 | -76.1 | 175 | -174.8 | 0 | 0 | 111.7 | R185 E186 L192 M193 | R185-E189 IonicContact CZ-OE1 2.73Å; R185-E189 IonicContact CZ-OE2 2.87Å; R185-E189 IonicContact NH1-OE1 3.26Å; R185-E189 PolarHBondContact NH1-OE1 2.89Å; R185-E189 IonicContact NH1-OE2 2.75Å; R185-E189 PolarHBondContact NH1-OE2 3.43Å; R185-E189 WeakPolarHBondContact O-CB 3.4Å; R185-E189 WeakPolarHBondContact O-CG 3.29Å; R185-E189 PolarHBondContact O-N 3.21Å; E186-E189 PolarHBondContact O-N 2.89Å; E189-L192 PolarHBondContact O-N 3.49Å; E189-M193 WeakPolarHBondContact O-CB 3.32Å; E189-M193 VanDerWaalsContact O-CG 3.27Å; E189-M193 WeakPolarHBondContact O-CG 3.48Å; E189-M193 PolarHBondContact O-N 2.99Å |
| 190 | G | 93.2 | Very high | 91.7 | Very high | 33 Ų | 33 | 96.1 Ų | 96.1 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.3 | -53.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E186 L192 M193 E194 | E186-G190 PolarHBondContact O-N 2.71Å; G190-L192 VanDerWaalsContact C-N 3.31Å; G190-L192 PolarHBondContact O-N 3.48Å; G190-M193 PolarHBondContact O-N 2.89Å; G190-M193 VanDerWaalsContact O-N 3.17Å; G190-E194 WeakPolarHBondContact O-CG 3.45Å; G190-E194 PolarHBondContact O-N 3.22Å |
| 191 | R | 90.4 | Very high | 92.2 | Very high | 155 Ų | 155 | 94.4 Ų | 94.4 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -37.9 | 176.3 | -75.1 | 177.1 | -70.7 | 153.1 | -5.3 | 113 | D187 A188 E194 A195 | D187-R191 WeakPolarHBondContact O-CG 3.47Å; D187-R191 PolarHBondContact O-N 3.23Å; D187-R191 PolarHBondContact O-NE 3.35Å; A188-R191 PolarHBondContact O-N 2.92Å; R191-E194 PolarHBondContact O-N 3.24Å; R191-A195 WeakPolarHBondContact O-CB 3.39Å; R191-A195 PolarHBondContact O-N 2.92Å |
| 192 | L | 90.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 91.2 Ų | 91.2 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 176 | -178.8 | 157.4 | 0 | 0 | 0 | 111.6 | A188 E189 G190 A195 R196 | A188-L192 WeakPolarHBondContact O-CB 3.45Å; A188-L192 PolarHBondContact O-N 2.91Å; E189-L192 PolarHBondContact O-N 3.49Å; G190-L192 VanDerWaalsContact C-N 3.31Å; G190-L192 PolarHBondContact O-N 3.48Å; L192-A195 PolarHBondContact O-N 3.21Å; L192-R196 HydrophobicContact CD2-CG 4.29Å; L192-R196 WeakPolarHBondContact O-CG 3.46Å; L192-R196 PolarHBondContact O-N 3.45Å |
| 193 | M | 95.8 | Very high | 93 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -38.9 | 176.1 | -71.3 | -69.6 | -77.2 | 0 | 0 | 112.1 | E189 G190 K197 | E189-M193 WeakPolarHBondContact O-CB 3.32Å; E189-M193 VanDerWaalsContact O-CG 3.27Å; E189-M193 WeakPolarHBondContact O-CG 3.48Å; E189-M193 PolarHBondContact O-N 2.99Å; G190-M193 PolarHBondContact O-N 2.89Å; G190-M193 VanDerWaalsContact O-N 3.17Å; M193-K197 WeakPolarHBondContact O-CB 3.34Å; M193-K197 PolarHBondContact O-N 3.41Å |
| 194 | E | 94.3 | Very high | 93.5 | Very high | 141 Ų | 141 | 92.7 Ų | 92.7 | 66% | 0.659 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 171.9 | -71.9 | -179.8 | 169 | 0 | 0 | 111.9 | G190 R191 K197 G198 | G190-E194 WeakPolarHBondContact O-CG 3.45Å; G190-E194 PolarHBondContact O-N 3.22Å; R191-E194 PolarHBondContact O-N 3.24Å; E194-K197 PolarHBondContact O-N 2.89Å; E194-G198 PolarHBondContact O-N 3.46Å |
| 195 | A | 93.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 92.1 Ų | 92.1 | 55% | 0.554 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R191 L192 G198 A199 | R191-A195 WeakPolarHBondContact O-CB 3.39Å; R191-A195 PolarHBondContact O-N 2.92Å; L192-A195 PolarHBondContact O-N 3.21Å; A195-G198 PolarHBondContact O-N 3.4Å; A195-A199 PolarHBondContact O-N 3.16Å |
| 196 | R | 96.6 | Very high | 94.6 | Very high | 161 Ų | 161 | 95 Ų | 95 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 173 | -77.6 | -178.5 | -178.9 | -106.3 | 1 | 111.7 | L192 G198 A199 D200 | L192-R196 HydrophobicContact CD2-CG 4.29Å; L192-R196 WeakPolarHBondContact O-CG 3.46Å; L192-R196 PolarHBondContact O-N 3.45Å; R196-G198 VanDerWaalsContact C-N 3.31Å; R196-G198 PolarHBondContact O-N 3.49Å; R196-A199 WeakPolarHBondContact O-CB 3.47Å; R196-A199 PolarHBondContact O-N 2.92Å; R196-A199 VanDerWaalsContact O-N 3.12Å; R196-D200 PolarHBondContact O-N 3.46Å |
| 197 | K | 98 | Very high | 94.9 | Very high | 124 Ų | 124 | 91.9 Ų | 91.9 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 176.9 | -179.1 | 175.2 | 177.5 | -74.5 | 0 | 112 | M193 E194 D200 E201 | M193-K197 WeakPolarHBondContact O-CB 3.34Å; M193-K197 PolarHBondContact O-N 3.41Å; E194-K197 PolarHBondContact O-N 2.89Å; K197-D200 PolarHBondContact O-N 2.94Å; K197-E201 WeakPolarHBondContact CE-OE1 3.41Å; K197-E201 IonicContact NZ-OE1 3.86Å; K197-E201 PolarHBondContact NZ-OE1 3.33Å; K197-E201 WeakPolarHBondContact O-CB 3.33Å; K197-E201 WeakPolarHBondContact O-CG 3.48Å; K197-E201 PolarHBondContact O-N 3.32Å |
| 198 | G | 97.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 93.3 Ų | 93.3 | 36% | 0.361 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | E194 A195 R196 A202 | E194-G198 PolarHBondContact O-N 3.46Å; A195-G198 PolarHBondContact O-N 3.4Å; R196-G198 VanDerWaalsContact C-N 3.31Å; R196-G198 PolarHBondContact O-N 3.49Å; G198-A202 VanDerWaalsContact O-CB 3.31Å; G198-A202 WeakPolarHBondContact O-CB 3.26Å; G198-A202 PolarHBondContact O-N 2.95Å |
| 199 | A | 97.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 96.5 Ų | 96.5 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A195 R196 A202 A203 | A195-A199 PolarHBondContact O-N 3.16Å; R196-A199 WeakPolarHBondContact O-CB 3.47Å; R196-A199 PolarHBondContact O-N 2.92Å; R196-A199 VanDerWaalsContact O-N 3.12Å; A199-A202 PolarHBondContact O-N 3.34Å; A199-A203 WeakPolarHBondContact O-CB 3.35Å; A199-A203 PolarHBondContact O-N 2.9Å |
| 200 | D | 98.1 | Very high | 96.5 | Very high | 105 Ų | 105 | 95.9 Ų | 95.9 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 174.7 | -68.7 | -28.5 | 0 | 0 | 0 | 111.4 | R196 K197 A203 L204 | R196-D200 PolarHBondContact O-N 3.46Å; K197-D200 PolarHBondContact O-N 2.94Å; D200-A203 PolarHBondContact O-N 3.48Å; D200-L204 WeakPolarHBondContact O-CG 3.36Å; D200-L204 PolarHBondContact O-N 2.92Å |
| 201 | E | 98.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 101.2 Ų | 101.2 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175 | -76.3 | 174.4 | -170.6 | 0 | 0 | 111.9 | K197 L204 A205 | K197-E201 WeakPolarHBondContact CE-OE1 3.41Å; K197-E201 IonicContact NZ-OE1 3.86Å; K197-E201 PolarHBondContact NZ-OE1 3.33Å; K197-E201 WeakPolarHBondContact O-CB 3.33Å; K197-E201 WeakPolarHBondContact O-CG 3.48Å; K197-E201 PolarHBondContact O-N 3.32Å; E201-L204 PolarHBondContact O-N 3.36Å; E201-A205 WeakPolarHBondContact O-CB 3.49Å; E201-A205 PolarHBondContact O-N 3.49Å |
| 202 | A | 97.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G198 A199 A205 R206 | G198-A202 VanDerWaalsContact O-CB 3.31Å; G198-A202 WeakPolarHBondContact O-CB 3.26Å; G198-A202 PolarHBondContact O-N 2.95Å; A199-A202 PolarHBondContact O-N 3.34Å; A202-A205 PolarHBondContact O-N 3.41Å; A202-R206 WeakPolarHBondContact O-CB 3.5Å; A202-R206 PolarHBondContact O-N 2.83Å |
| 203 | A | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A199 D200 R206 A207 | A199-A203 WeakPolarHBondContact O-CB 3.35Å; A199-A203 PolarHBondContact O-N 2.9Å; D200-A203 PolarHBondContact O-N 3.48Å; A203-R206 PolarHBondContact O-N 3.13Å; A203-A207 WeakPolarHBondContact O-CB 3.45Å; A203-A207 PolarHBondContact O-N 3.45Å |
| 204 | L | 98.4 | Very high | 97.6 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -47.4 | 172.5 | -72.5 | 172.9 | 0 | 0 | 0 | 111.6 | D200 E201 R206 A207 E208 | D200-L204 WeakPolarHBondContact O-CG 3.36Å; D200-L204 PolarHBondContact O-N 2.92Å; E201-L204 PolarHBondContact O-N 3.36Å; L204-R206 VanDerWaalsContact C-N 3.31Å; L204-R206 PolarHBondContact O-N 2.92Å; L204-A207 PolarHBondContact O-N 3.45Å; L204-E208 WeakPolarHBondContact O-CG 3.25Å; L204-E208 PolarHBondContact O-N 2.92Å |
| 205 | A | 98 | Very high | 97.8 | Very high | 47 Ų | 47 | 96.7 Ų | 96.7 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E201 A202 E208 L209 | E201-A205 WeakPolarHBondContact O-CB 3.49Å; E201-A205 PolarHBondContact O-N 3.49Å; A202-A205 PolarHBondContact O-N 3.41Å; A205-E208 PolarHBondContact O-N 2.94Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.4Å |
| 206 | R | 98.3 | Very high | 98 | Very high | 163 Ų | 163 | 97.5 Ų | 97.5 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.5 | -49.8 | 172.3 | 179.2 | -176.9 | 160.9 | -168 | -9 | 111.3 | A202 A203 L204 E208 L209 E210 | A202-R206 WeakPolarHBondContact O-CB 3.5Å; A202-R206 PolarHBondContact O-N 2.83Å; A203-R206 PolarHBondContact O-N 3.13Å; L204-R206 VanDerWaalsContact C-N 3.31Å; L204-R206 PolarHBondContact O-N 2.92Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3.37Å; R206-L209 WeakPolarHBondContact O-CB 3.47Å; R206-L209 PolarHBondContact O-N 2.93Å; R206-L209 VanDerWaalsContact O-N 3.09Å; R206-E210 HydrophobicContact CG-CG 4.43Å; R206-E210 IonicContact CZ-OE1 2.82Å; R206-E210 IonicContact NE-OE1 2.9Å; R206-E210 PolarHBondContact NE-OE1 2.9Å; R206-E210 IonicContact NH2-OE1 3.87Å; R206-E210 PolarHBondContact NH2-OE1 2.91Å; R206-E210 WeakPolarHBondContact O-CG 3.49Å; R206-E210 PolarHBondContact O-N 3.36Å |
| 207 | A | 98.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 95.5 Ų | 95.5 | 28% | 0.281 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -28.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A203 L204 K211 | A203-A207 WeakPolarHBondContact O-CB 3.45Å; A203-A207 PolarHBondContact O-N 3.45Å; L204-A207 PolarHBondContact O-N 3.45Å; A207-K211 WeakPolarHBondContact O-CG 3.43Å; A207-K211 PolarHBondContact O-N 3.18Å |
| 208 | E | 98.4 | Very high | 98.1 | Very high | 142 Ų | 142 | 95.2 Ų | 95.2 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71 | -39.1 | 170.7 | -73.8 | -176.8 | -178.6 | 0 | 0 | 112.4 | L204 A205 R206 R212 | L204-E208 WeakPolarHBondContact O-CG 3.25Å; L204-E208 PolarHBondContact O-N 2.92Å; A205-E208 PolarHBondContact O-N 2.94Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3.37Å; E208-R212 WeakPolarHBondContact O-CB 3.4Å; E208-R212 PolarHBondContact O-N 2.87Å; E208-R212 VanDerWaalsContact O-N 3.13Å |
| 209 | L | 98 | Very high | 98.1 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.1 | -42.6 | 174.8 | -71.4 | 171.7 | 0 | 0 | 0 | 111.9 | A205 R206 R212 I213 | A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.4Å; R206-L209 WeakPolarHBondContact O-CB 3.47Å; R206-L209 PolarHBondContact O-N 2.93Å; R206-L209 VanDerWaalsContact O-N 3.09Å; L209-R212 CarbonylContact O-C 3.59Å; L209-R212 WeakPolarHBondContact O-CA 3.44Å; L209-R212 WeakPolarHBondContact O-CB 3.43Å; L209-R212 PolarHBondContact O-N 2.92Å; L209-R212 VanDerWaalsContact O-N 3.08Å; L209-I213 WeakPolarHBondContact O-CG1 3.31Å; L209-I213 PolarHBondContact O-N 3.45Å |
| 210 | E | 98.2 | Very high | 98.1 | Very high | 78 Ų | 78 | 100.2 Ų | 100.2 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.9 | -51.1 | 175.3 | -73.8 | 171.8 | 165.3 | 0 | 0 | 111 | R206 R212 I213 D214 | R206-E210 HydrophobicContact CG-CG 4.43Å; R206-E210 IonicContact CZ-OE1 2.82Å; R206-E210 IonicContact NE-OE1 2.9Å; R206-E210 PolarHBondContact NE-OE1 2.9Å; R206-E210 IonicContact NH2-OE1 3.87Å; R206-E210 PolarHBondContact NH2-OE1 2.91Å; R206-E210 WeakPolarHBondContact O-CG 3.49Å; R206-E210 PolarHBondContact O-N 3.36Å; E210-R212 PolarHBondContact O-N 2.97Å; E210-R212 VanDerWaalsContact O-N 3.16Å; E210-I213 WeakPolarHBondContact O-CA 3.26Å; E210-I213 WeakPolarHBondContact O-CB 3.34Å; E210-I213 PolarHBondContact O-N 3.35Å; E210-D214 PolarHBondContact O-N 3.33Å |
| 211 | K | 98.4 | Very high | 98.1 | Very high | 146 Ų | 146 | 98 Ų | 98 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.7 | -32.2 | 173.8 | -73.9 | 170.4 | -175.8 | 166.8 | 0 | 113.4 | A207 S215 | A207-K211 WeakPolarHBondContact O-CG 3.43Å; A207-K211 PolarHBondContact O-N 3.18Å; K211-S215 WeakPolarHBondContact O-CB 3.44Å; K211-S215 PolarHBondContact O-N 2.87Å; K211-S215 PolarHBondContact O-OG 2.9Å |
| 212 | R | 98.3 | Very high | 98.1 | Very high | 171 Ų | 171 | 99.5 Ų | 99.5 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73 | -39.4 | 177.2 | -165.1 | 175.5 | -171.9 | 117.4 | 6.3 | 111.2 | E208 L209 E210 S215 L216 | E208-R212 WeakPolarHBondContact O-CB 3.4Å; E208-R212 PolarHBondContact O-N 2.87Å; E208-R212 VanDerWaalsContact O-N 3.13Å; L209-R212 CarbonylContact O-C 3.59Å; L209-R212 WeakPolarHBondContact O-CA 3.44Å; L209-R212 WeakPolarHBondContact O-CB 3.43Å; L209-R212 PolarHBondContact O-N 2.92Å; L209-R212 VanDerWaalsContact O-N 3.08Å; E210-R212 PolarHBondContact O-N 2.97Å; E210-R212 VanDerWaalsContact O-N 3.16Å; R212-S215 WeakPolarHBondContact CA-OG 3.35Å; R212-S215 PolarHBondContact O-N 3.12Å; R212-S215 PolarHBondContact O-OG 3.07Å; R212-L216 HydrophobicContact CG-CD1 4.36Å; R212-L216 VanDerWaalsContact O-CG 3.29Å; R212-L216 WeakPolarHBondContact O-CG 3.49Å; R212-L216 PolarHBondContact O-N 2.75Å |
| 213 | I | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 100.3 Ų | 100.3 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 171.7 | -68.5 | 164 | 0 | 0 | 0 | 109.6 | L209 E210 S215 L216 M217 | L209-I213 WeakPolarHBondContact O-CG1 3.31Å; L209-I213 PolarHBondContact O-N 3.45Å; E210-I213 WeakPolarHBondContact O-CA 3.26Å; E210-I213 WeakPolarHBondContact O-CB 3.34Å; E210-I213 PolarHBondContact O-N 3.35Å; I213-S215 VanDerWaalsContact C-N 3.33Å; I213-S215 PolarHBondContact O-N 2.67Å; I213-L216 PolarHBondContact O-N 3.04Å; I213-L216 VanDerWaalsContact O-N 3.09Å; I213-M217 HydrophobicContact CG2-CG 4.38Å; I213-M217 HydrophobicContact CG2-SD 3.95Å; I213-M217 WeakPolarHBondContact O-CG 3.32Å; I213-M217 PolarHBondContact O-N 3.35Å |
| 214 | D | 98.2 | Very high | 98.1 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -53.9 | -49.3 | 176.8 | -64.5 | -25 | 0 | 0 | 0 | 111.3 | E210 L216 M217 D218 | E210-D214 PolarHBondContact O-N 3.33Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.1Å; D214-M217 WeakPolarHBondContact O-CB 3.31Å; D214-M217 PolarHBondContact O-N 3.37Å; D214-M217 VanDerWaalsContact O-N 3.12Å; D214-D218 PolarHBondContact O-N 3.05Å |
| 215 | S | 98.3 | Very high | 98.1 | Very high | 62 Ų | 62 | 104.6 Ų | 104.6 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 179.9 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | K211 R212 I213 E219 | K211-S215 WeakPolarHBondContact O-CB 3.44Å; K211-S215 PolarHBondContact O-N 2.87Å; K211-S215 PolarHBondContact O-OG 2.9Å; R212-S215 WeakPolarHBondContact CA-OG 3.35Å; R212-S215 PolarHBondContact O-N 3.12Å; R212-S215 PolarHBondContact O-OG 3.07Å; I213-S215 VanDerWaalsContact C-N 3.33Å; I213-S215 PolarHBondContact O-N 2.67Å; S215-E219 WeakPolarHBondContact O-CB 3.41Å; S215-E219 PolarHBondContact O-N 3.39Å |
| 216 | L | 98 | Very high | 98.1 | Very high | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.1 | -33.3 | 175.8 | -71.5 | 169 | 0 | 0 | 0 | 111.5 | R212 I213 D214 E219 I220 | R212-L216 HydrophobicContact CG-CD1 4.36Å; R212-L216 VanDerWaalsContact O-CG 3.29Å; R212-L216 WeakPolarHBondContact O-CG 3.49Å; R212-L216 PolarHBondContact O-N 2.75Å; I213-L216 PolarHBondContact O-N 3.04Å; I213-L216 VanDerWaalsContact O-N 3.09Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.1Å; L216-E219 PolarHBondContact O-N 2.94Å; L216-I220 WeakPolarHBondContact O-CB 3.42Å; L216-I220 WeakPolarHBondContact O-CD1 3.26Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 2.88Å |
| 217 | M | 98.1 | Very high | 98 | Very high | 119 Ų | 119 | 101.5 Ų | 101.5 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 172.6 | -72.6 | -179.3 | 61.9 | 0 | 0 | 111.3 | I213 D214 I220 A221 | I213-M217 HydrophobicContact CG2-CG 4.38Å; I213-M217 HydrophobicContact CG2-SD 3.95Å; I213-M217 WeakPolarHBondContact O-CG 3.32Å; I213-M217 PolarHBondContact O-N 3.35Å; D214-M217 WeakPolarHBondContact O-CB 3.31Å; D214-M217 PolarHBondContact O-N 3.37Å; D214-M217 VanDerWaalsContact O-N 3.12Å; M217-I220 PolarHBondContact O-N 3.17Å; M217-A221 WeakPolarHBondContact O-CB 3.3Å; M217-A221 PolarHBondContact O-N 3.33Å |
| 218 | D | 98.2 | Very high | 97.9 | Very high | 118 Ų | 118 | 106.8 Ų | 106.8 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 172.5 | -81.6 | -16.9 | 0 | 0 | 0 | 111.8 | D214 A221 F222 | D214-D218 PolarHBondContact O-N 3.05Å; D218-A221 PolarHBondContact O-N 3.29Å; D218-F222 WeakPolarHBondContact O-CB 3.42Å; D218-F222 PolarHBondContact O-N 3.04Å |
| 219 | E | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 105.4 Ų | 105.4 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.4 | -173.8 | 169.3 | -161.8 | 0 | 0 | 111.9 | S215 L216 F222 L223 | S215-E219 WeakPolarHBondContact O-CB 3.41Å; S215-E219 PolarHBondContact O-N 3.39Å; L216-E219 PolarHBondContact O-N 2.94Å; E219-F222 PolarHBondContact O-N 3.1Å; E219-L223 HydrophobicContact CG-CD1 4.15Å; E219-L223 WeakPolarHBondContact O-CB 3.43Å; E219-L223 VanDerWaalsContact O-CG 3.3Å; E219-L223 WeakPolarHBondContact O-CG 3.48Å; E219-L223 PolarHBondContact O-N 3.46Å |
| 220 | I | 97.4 | Very high | 97.6 | Very high | 89 Ų | 89 | 105.2 Ų | 105.2 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.1 | -72 | 164.4 | 0 | 0 | 0 | 111.2 | L216 M217 L223 K224 | L216-I220 WeakPolarHBondContact O-CB 3.42Å; L216-I220 WeakPolarHBondContact O-CD1 3.26Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 2.88Å; M217-I220 PolarHBondContact O-N 3.17Å; I220-L223 PolarHBondContact O-N 2.9Å; I220-K224 HydrophobicContact CG2-CD 4.13Å; I220-K224 HydrophobicContact CG2-CG 4.49Å; I220-K224 WeakPolarHBondContact O-CB 3.26Å; I220-K224 VanDerWaalsContact O-CG 3.3Å; I220-K224 WeakPolarHBondContact O-CG 3.35Å; I220-K224 PolarHBondContact O-N 3.36Å |
| 221 | A | 97.9 | Very high | 97.4 | Very high | 58 Ų | 58 | 105.9 Ų | 105.9 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M217 D218 K225 | M217-A221 WeakPolarHBondContact O-CB 3.3Å; M217-A221 PolarHBondContact O-N 3.33Å; D218-A221 PolarHBondContact O-N 3.29Å; A221-K225 WeakPolarHBondContact O-CB 3.48Å; A221-K225 PolarHBondContact O-N 3.36Å; A221-K225 VanDerWaalsContact O-N 3.1Å |
| 222 | F | 98.1 | Very high | 97.2 | Very high | 136 Ų | 136 | 101.6 Ų | 101.6 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -50.3 | 173.9 | 176.9 | -101.4 | 0 | 0 | 0 | 111.9 | D218 E219 K224 K225 V226 | D218-F222 WeakPolarHBondContact O-CB 3.42Å; D218-F222 PolarHBondContact O-N 3.04Å; E219-F222 PolarHBondContact O-N 3.1Å; F222-K224 PolarHBondContact O-N 3.37Å; F222-K225 PolarHBondContact O-N 3.25Å; F222-V226 HydrophobicContact CD1-CG2 4.28Å; F222-V226 HydrophobicContact CD2-CG2 4.4Å; F222-V226 HydrophobicContact CE1-CG2 3.82Å; F222-V226 HydrophobicContact CE2-CG2 3.95Å; F222-V226 HydrophobicContact CZ-CG2 3.64Å; F222-V226 WeakPolarHBondContact O-CG2 3.47Å; F222-V226 PolarHBondContact O-N 3.04Å |
| 223 | L | 97.9 | Very high | 96.9 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 41% | 0.408 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 179.2 | -73.3 | 171 | 0 | 0 | 0 | 112.4 | E219 I220 K225 V226 H227 | E219-L223 HydrophobicContact CG-CD1 4.15Å; E219-L223 WeakPolarHBondContact O-CB 3.43Å; E219-L223 VanDerWaalsContact O-CG 3.3Å; E219-L223 WeakPolarHBondContact O-CG 3.48Å; E219-L223 PolarHBondContact O-N 3.46Å; I220-L223 PolarHBondContact O-N 2.9Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 3Å; L223-V226 PolarHBondContact O-N 2.92Å; L223-H227 WeakPolarHBondContact O-CB 3.26Å; L223-H227 PolarHBondContact O-N 2.92Å |
| 224 | K | 97.4 | Very high | 96.6 | Very high | 143 Ų | 143 | 99.3 Ų | 99.3 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.3 | -46.8 | 173.8 | -79 | 176.4 | 177.4 | -179.3 | 0 | 111.4 | I220 F222 H227 E228 | I220-K224 HydrophobicContact CG2-CD 4.13Å; I220-K224 HydrophobicContact CG2-CG 4.49Å; I220-K224 WeakPolarHBondContact O-CB 3.26Å; I220-K224 VanDerWaalsContact O-CG 3.3Å; I220-K224 WeakPolarHBondContact O-CG 3.35Å; I220-K224 PolarHBondContact O-N 3.36Å; F222-K224 PolarHBondContact O-N 3.37Å; K224-H227 PolarHBondContact O-N 3.5Å; K224-E228 WeakPolarHBondContact O-CB 3.25Å; K224-E228 PolarHBondContact O-N 3.39Å |
| 225 | K | 97.9 | Very high | 96 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 178.8 | -176.6 | 178 | 171.1 | -177.1 | 0 | 112.3 | A221 F222 L223 E228 E229 | A221-K225 WeakPolarHBondContact O-CB 3.48Å; A221-K225 PolarHBondContact O-N 3.36Å; A221-K225 VanDerWaalsContact O-N 3.1Å; F222-K225 PolarHBondContact O-N 3.25Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 3Å; K225-E228 PolarHBondContact O-N 2.9Å; K225-E229 WeakPolarHBondContact CE-OE1 3.49Å; K225-E229 IonicContact NZ-OE1 3.83Å; K225-E229 WeakPolarHBondContact O-CG 3.29Å; K225-E229 PolarHBondContact O-N 3.33Å |
| 226 | V | 97.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 99.7 Ų | 99.7 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | F222 L223 E228 E229 E230 | F222-V226 HydrophobicContact CD1-CG2 4.28Å; F222-V226 HydrophobicContact CD2-CG2 4.4Å; F222-V226 HydrophobicContact CE1-CG2 3.82Å; F222-V226 HydrophobicContact CE2-CG2 3.95Å; F222-V226 HydrophobicContact CZ-CG2 3.64Å; F222-V226 WeakPolarHBondContact O-CG2 3.47Å; F222-V226 PolarHBondContact O-N 3.04Å; L223-V226 PolarHBondContact O-N 2.92Å; V226-E228 VanDerWaalsContact C-N 3.31Å; V226-E228 PolarHBondContact O-N 3.33Å; V226-E229 PolarHBondContact O-N 3.11Å; V226-E230 HydrophobicContact CG1-CG 4.35Å; V226-E230 WeakPolarHBondContact O-CB 3.48Å; V226-E230 WeakPolarHBondContact O-CG 3.32Å; V226-E230 PolarHBondContact O-N 3.43Å |
| 227 | H | 96.2 | Very high | 94.8 | Very high | 105 Ų | 105 | 100.4 Ų | 100.4 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 176.1 | -70.9 | -177.3 | 0 | 0 | 0 | 112.4 | L223 K224 E230 I231 | L223-H227 WeakPolarHBondContact O-CB 3.26Å; L223-H227 PolarHBondContact O-N 2.92Å; K224-H227 PolarHBondContact O-N 3.5Å; H227-E230 PolarHBondContact O-N 2.82Å; H227-I231 VanDerWaalsContact O-CB 3.31Å; H227-I231 WeakPolarHBondContact O-CB 3.38Å; H227-I231 WeakPolarHBondContact O-CD1 3.5Å; H227-I231 WeakPolarHBondContact O-CG1 3.5Å; H227-I231 PolarHBondContact O-N 2.96Å |
| 228 | E | 96.6 | Very high | 93.8 | Very high | 145 Ų | 145 | 99.5 Ų | 99.5 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.6 | -39.5 | 176.7 | -168.2 | 166.6 | -149.4 | 0 | 0 | 111.8 | K224 K225 V226 A232 | K224-E228 WeakPolarHBondContact O-CB 3.25Å; K224-E228 PolarHBondContact O-N 3.39Å; K225-E228 PolarHBondContact O-N 2.9Å; V226-E228 VanDerWaalsContact C-N 3.31Å; V226-E228 PolarHBondContact O-N 3.33Å; E228-A232 WeakPolarHBondContact O-CB 3.38Å; E228-A232 PolarHBondContact O-N 3.44Å |
| 229 | E | 95.5 | Very high | 92.7 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 171.8 | -72 | 176.2 | -176.9 | 0 | 0 | 112 | K225 V226 A232 E233 | K225-E229 WeakPolarHBondContact CE-OE1 3.49Å; K225-E229 IonicContact NZ-OE1 3.83Å; K225-E229 WeakPolarHBondContact O-CG 3.29Å; K225-E229 PolarHBondContact O-N 3.33Å; V226-E229 PolarHBondContact O-N 3.11Å; E229-A232 PolarHBondContact O-N 2.91Å; E229-E233 PolarHBondContact O-N 3.44Å |
| 230 | E | 94.9 | Very high | 91.2 | Very high | 107 Ų | 107 | 103.5 Ų | 103.5 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.5 | -75.7 | -177 | 165.5 | 0 | 0 | 112.3 | V226 H227 E233 L234 | V226-E230 HydrophobicContact CG1-CG 4.35Å; V226-E230 WeakPolarHBondContact O-CB 3.48Å; V226-E230 WeakPolarHBondContact O-CG 3.32Å; V226-E230 PolarHBondContact O-N 3.43Å; H227-E230 PolarHBondContact O-N 2.82Å; E230-E233 PolarHBondContact O-N 3.08Å; E230-L234 WeakPolarHBondContact O-CB 3.4Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.37Å; E230-L234 PolarHBondContact O-N 2.82Å |
| 231 | I | 94.7 | Very high | 89.4 | Confident | 92 Ų | 92 | 102.3 Ų | 102.3 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.1 | -73.6 | 165 | 0 | 0 | 0 | 110.2 | H227 L234 Q235 | H227-I231 VanDerWaalsContact O-CB 3.31Å; H227-I231 WeakPolarHBondContact O-CB 3.38Å; H227-I231 WeakPolarHBondContact O-CD1 3.5Å; H227-I231 WeakPolarHBondContact O-CG1 3.5Å; H227-I231 PolarHBondContact O-N 2.96Å; I231-L234 PolarHBondContact O-N 3.3Å; I231-Q235 HydrophobicContact CG2-CG 4.42Å; I231-Q235 WeakPolarHBondContact O-CB 3.44Å; I231-Q235 WeakPolarHBondContact O-CG 3.36Å; I231-Q235 PolarHBondContact O-N 3.12Å |
| 232 | A | 92.9 | Very high | 87 | Confident | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E228 E229 Q235 A236 | E228-A232 WeakPolarHBondContact O-CB 3.38Å; E228-A232 PolarHBondContact O-N 3.44Å; E229-A232 PolarHBondContact O-N 2.91Å; A232-Q235 PolarHBondContact O-N 2.96Å; A232-A236 WeakPolarHBondContact O-CB 3.36Å; A232-A236 PolarHBondContact O-N 3.19Å |
| 233 | E | 92.9 | Very high | 84.5 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -44.5 | 176.3 | -163.6 | -175.2 | 169.4 | 0 | 0 | 111.7 | E229 E230 Q235 A236 Q237 | E229-E233 PolarHBondContact O-N 3.44Å; E230-E233 PolarHBondContact O-N 3.08Å; E233-Q235 VanDerWaalsContact C-N 3.35Å; E233-Q235 PolarHBondContact O-N 2.98Å; E233-A236 CarbonylContact O-C 3.59Å; E233-A236 WeakPolarHBondContact O-CB 3.47Å; E233-A236 PolarHBondContact O-N 2.69Å; E233-Q237 WeakPolarHBondContact O-CB 3.39Å; E233-Q237 WeakPolarHBondContact O-CG 3.36Å; E233-Q237 PolarHBondContact O-N 3.04Å; E233-Q237 PolarHBondContact OE1-NE2 3.37Å; E233-Q237 VanDerWaalsContact OE1-NE2 3.11Å |
| 234 | L | 90.9 | Very high | 81.7 | Confident | 97 Ų | 97 | 107.6 Ų | 107.6 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 175.7 | -74.2 | 172.8 | 0 | 0 | 0 | 112.1 | E230 I231 Q237 I238 | E230-L234 WeakPolarHBondContact O-CB 3.4Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.37Å; E230-L234 PolarHBondContact O-N 2.82Å; I231-L234 PolarHBondContact O-N 3.3Å; L234-Q237 PolarHBondContact O-N 3.49Å; L234-I238 WeakPolarHBondContact O-CB 3.34Å; L234-I238 VanDerWaalsContact O-CG1 3.22Å; L234-I238 WeakPolarHBondContact O-CG1 3.32Å; L234-I238 PolarHBondContact O-N 3.37Å |
| 235 | Q | 86.5 | Confident | 78.7 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 172.5 | -75.7 | 176.1 | 13.1 | 0 | 0 | 111.5 | I231 A232 E233 I238 Q239 | I231-Q235 HydrophobicContact CG2-CG 4.42Å; I231-Q235 WeakPolarHBondContact O-CB 3.44Å; I231-Q235 WeakPolarHBondContact O-CG 3.36Å; I231-Q235 PolarHBondContact O-N 3.12Å; A232-Q235 PolarHBondContact O-N 2.96Å; E233-Q235 VanDerWaalsContact C-N 3.35Å; E233-Q235 PolarHBondContact O-N 2.98Å; Q235-I238 PolarHBondContact O-N 2.89Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.5Å; Q235-Q239 PolarHBondContact O-N 2.84Å |
| 236 | A | 85.5 | Confident | 75.8 | Confident | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A232 E233 Q239 Y240 | A232-A236 WeakPolarHBondContact O-CB 3.36Å; A232-A236 PolarHBondContact O-N 3.19Å; E233-A236 CarbonylContact O-C 3.59Å; E233-A236 WeakPolarHBondContact O-CB 3.47Å; E233-A236 PolarHBondContact O-N 2.69Å; A236-Q239 PolarHBondContact O-N 3.37Å; A236-Y240 WeakPolarHBondContact O-CB 3.49Å; A236-Y240 PolarHBondContact O-N 2.92Å |
| 237 | Q | 85.3 | Confident | 72.9 | Confident | 98 Ų | 98 | 116.8 Ų | 116.8 | 46% | 0.458 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.6 | -37.6 | 175.4 | -71.8 | -178.5 | 23.2 | 0 | 0 | 112.1 | E233 L234 Y240 A241 | E233-Q237 WeakPolarHBondContact O-CB 3.39Å; E233-Q237 WeakPolarHBondContact O-CG 3.36Å; E233-Q237 PolarHBondContact O-N 3.04Å; E233-Q237 PolarHBondContact OE1-NE2 3.37Å; E233-Q237 VanDerWaalsContact OE1-NE2 3.11Å; L234-Q237 PolarHBondContact O-N 3.49Å; Q237-Y240 PolarHBondContact O-N 3.32Å; Q237-A241 WeakPolarHBondContact O-CB 3.34Å; Q237-A241 PolarHBondContact O-N 3.21Å |
| 238 | I | 78.1 | Confident | 70.5 | Confident | 99 Ų | 99 | 119 Ų | 119 | 51% | 0.508 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.2 | -43.2 | 174.1 | -72.6 | 164.3 | 0 | 0 | 0 | 110.7 | L234 Q235 Y240 A241 Q242 | L234-I238 WeakPolarHBondContact O-CB 3.34Å; L234-I238 VanDerWaalsContact O-CG1 3.22Å; L234-I238 WeakPolarHBondContact O-CG1 3.32Å; L234-I238 PolarHBondContact O-N 3.37Å; Q235-I238 PolarHBondContact O-N 2.89Å; I238-Y240 VanDerWaalsContact C-N 3.27Å; I238-Y240 PolarHBondContact O-N 2.92Å; I238-A241 PolarHBondContact O-N 3.03Å; I238-Q242 WeakPolarHBondContact O-CB 3.45Å; I238-Q242 WeakPolarHBondContact O-CG 3.26Å; I238-Q242 PolarHBondContact O-N 3.33Å |
| 239 | Q | 75.3 | Confident | 67.5 | Low | 125 Ų | 125 | 117.6 Ų | 117.6 | 58% | 0.584 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.4 | -34.9 | 174.1 | -69.5 | 170 | 27.8 | 0 | 0 | 111.9 | Q235 A236 | Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.5Å; Q235-Q239 PolarHBondContact O-N 2.84Å; A236-Q239 PolarHBondContact O-N 3.37Å |
| 240 | Y | 64.5 | Low | 65.4 | Low | 189 Ų | 189 | 116.8 Ų | 116.8 | 74% | 0.741 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.1 | -40.4 | 175.3 | -140.9 | -91.5 | 0 | 0 | 0 | 112.5 | A236 Q237 I238 I243 | A236-Y240 WeakPolarHBondContact O-CB 3.49Å; A236-Y240 PolarHBondContact O-N 2.92Å; Q237-Y240 PolarHBondContact O-N 3.32Å; I238-Y240 VanDerWaalsContact C-N 3.27Å; I238-Y240 PolarHBondContact O-N 2.92Å; Y240-I243 PolarHBondContact O-N 3.22Å |
| 241 | A | 60.1 | Low | 63.4 | Low | 63 Ų | 63 | 120.5 Ų | 120.5 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.5 | -28.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q237 I238 I243 S244 | Q237-A241 WeakPolarHBondContact O-CB 3.34Å; Q237-A241 PolarHBondContact O-N 3.21Å; I238-A241 PolarHBondContact O-N 3.03Å; A241-I243 PolarHBondContact O-N 2.96Å; A241-S244 CarbonylContact O-C 3.6Å; A241-S244 PolarHBondContact O-N 3.42Å |
| 242 | Q | 47.2 | Very low | 61.7 | Low | 159 Ų | 159 | 121.3 Ų | 121.3 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -11 | 169.1 | -82.2 | -176.3 | -23.9 | 0 | 0 | 113.6 | I238 | I238-Q242 WeakPolarHBondContact O-CB 3.45Å; I238-Q242 WeakPolarHBondContact O-CG 3.26Å; I238-Q242 PolarHBondContact O-N 3.33Å |
| 243 | I | 47.3 | Very low | 60.4 | Low | 153 Ų | 153 | 124.8 Ų | 124.8 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -6.1 | 177.9 | -62.4 | 174.7 | 0 | 0 | 0 | 111.8 | Y240 A241 | Y240-I243 PolarHBondContact O-N 3.22Å; A241-I243 PolarHBondContact O-N 2.96Å |
| 244 | S | 39.2 | Very low | 58.9 | Low | 71 Ų | 71 | 122.8 Ų | 122.8 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | trans | -153.8 | 103.7 | -170.1 | 167.5 | 0 | 0 | 0 | 0 | 113.3 | A241 | A241-S244 CarbonylContact O-C 3.6Å; A241-S244 PolarHBondContact O-N 3.42Å | ||
| 245 | V | 33.6 | Very low | 57.9 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | 175.5 | 96.9 | 125.8 | 154.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 246 | E | 36.7 | Very low | 57.2 | Low | 195 Ų | 195 | 119.5 Ų | 119.5 | 91% | 0.911 | 65% | 0.651 | S | S | * | * | trans | -106.2 | 131.4 | 138.7 | -75.9 | -171 | 154.5 | 0 | 0 | 106.2 | ||||
| 247 | M | 38.2 | Very low | 56.8 | Low | 166 Ų | 166 | 119.4 Ų | 119.4 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | 169 | 135.8 | 119.9 | -170.5 | 160.7 | 64.5 | 0 | 0 | 112.2 | |||||
| 248 | D | 44.7 | Very low | 56.6 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | trans | -71.8 | 133.3 | 174.6 | 175.8 | 25.4 | 0 | 0 | 0 | 112.5 | ||||
| 249 | V | 34.5 | Very low | 56.9 | Low | 116 Ų | 116 | 122 Ų | 122 | 70% | 0.703 | 66% | 0.661 | S | S | * | * | trans | -140.1 | 96.5 | 170.8 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 250 | S | 50.6 | Low | 57.4 | Low | 97 Ų | 97 | 120.4 Ų | 120.4 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | trans | 26.4 | 126.3 | 146.1 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | P252 | S250-P252 WeakPolarHBondContact O-CD 3.22Š| ||
| 251 | K | 52.2 | Low | 58.5 | Low | 184 Ų | 184 | 115.1 Ų | 115.1 | 80% | 0.8 | 64% | 0.64 | S | S | * | * | trans | -60.2 | 121.4 | 177 | -65.2 | 171.4 | -179.4 | 171.3 | 0 | 113.9 | L254 | K251-L254 HydrophobicContact CB-CD1 3.8Å; K251-L254 HydrophobicContact CD-CD1 4.12Å; K251-L254 HydrophobicContact CG-CD1 3.86Å | ||
| 252 | P | 60.4 | Low | 59.9 | Low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | trans | -74.5 | 171.9 | 156.2 | 33.6 | -33.1 | 0 | 0 | 0 | 110.2 | S250 L254 | S250-P252 WeakPolarHBondContact O-CD 3.22Å; P252-L254 WeakPolarHBondContact O-CD1 3.2Å; P252-L254 PolarHBondContact O-N 2.7Å | ||
| 253 | D | 64.2 | Low | 61.9 | Low | 130 Ų | 130 | 114.8 Ų | 114.8 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | trans | -63.6 | 93.9 | -178.7 | -176.3 | 1.9 | 0 | 0 | 0 | 112.2 | S255 | D253-S255 PolarHBondContact O-N 3.36Å; D253-S255 VanDerWaalsContact O-N 3.16Å; D253-S255 WeakPolarHBondContact OD1-CB 3.4Å; D253-S255 PolarHBondContact OD1-N 2.97Å | ||
| 254 | L | 62.8 | Low | 63.9 | Low | 79 Ų | 79 | 112.8 Ų | 112.8 | 41% | 0.414 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.8 | -16.3 | -178 | -83.4 | 112.7 | 0 | 0 | 0 | 113.3 | K251 P252 A256 L258 | K251-L254 HydrophobicContact CB-CD1 3.8Å; K251-L254 HydrophobicContact CD-CD1 4.12Å; K251-L254 HydrophobicContact CG-CD1 3.86Å; P252-L254 WeakPolarHBondContact O-CD1 3.2Å; P252-L254 PolarHBondContact O-N 2.7Å; L254-A256 PolarHBondContact O-N 3.06Å; L254-L258 HydrophobicContact CB-CD1 3.83Å; L254-L258 HydrophobicContact CB-CG 4.11Å; L254-L258 HydrophobicContact CD2-CD1 4.01Å; L254-L258 HydrophobicContact CD2-CD2 4.35Å; L254-L258 HydrophobicContact CD2-CG 4.09Å; L254-L258 WeakPolarHBondContact O-CB 3.46Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.36Å |
| 255 | S | 70.1 | Confident | 66.5 | Low | 70 Ų | 70 | 117.3 Ų | 117.3 | 49% | 0.49 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | -169.3 | -168.6 | 0 | 0 | 0 | 0 | 113.2 | D253 K259 | D253-S255 PolarHBondContact O-N 3.36Å; D253-S255 VanDerWaalsContact O-N 3.16Å; D253-S255 WeakPolarHBondContact OD1-CB 3.4Å; D253-S255 PolarHBondContact OD1-N 2.97Å; S255-K259 WeakPolarHBondContact O-CG 3.48Å; S255-K259 PolarHBondContact O-N 3.25Å |
| 256 | A | 71.1 | Confident | 69.2 | Low | 68 Ų | 68 | 116 Ų | 116 | 56% | 0.562 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.8 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L254 K259 D260 | L254-A256 PolarHBondContact O-N 3.06Å; A256-K259 PolarHBondContact O-N 3.15Å; A256-D260 PolarHBondContact O-N 2.96Å |
| 257 | A | 76.9 | Confident | 71.9 | Confident | 51 Ų | 51 | 113.5 Ų | 113.5 | 42% | 0.421 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K259 D260 I261 | A257-K259 VanDerWaalsContact C-N 3.32Å; A257-K259 PolarHBondContact O-N 3.3Å; A257-D260 PolarHBondContact O-N 2.89Å; A257-I261 VanDerWaalsContact O-CB 3.25Å; A257-I261 WeakPolarHBondContact O-CB 3.5Å; A257-I261 WeakPolarHBondContact O-CD1 3.36Å; A257-I261 WeakPolarHBondContact O-CG1 3.5Å; A257-I261 PolarHBondContact O-N 3.04Å |
| 258 | L | 80.8 | Confident | 74.5 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.3 | -33.3 | 174.8 | -73.6 | 172.1 | 0 | 0 | 0 | 112.5 | L254 R262 | L254-L258 HydrophobicContact CB-CD1 3.83Å; L254-L258 HydrophobicContact CB-CG 4.11Å; L254-L258 HydrophobicContact CD2-CD1 4.01Å; L254-L258 HydrophobicContact CD2-CD2 4.35Å; L254-L258 HydrophobicContact CD2-CG 4.09Å; L254-L258 WeakPolarHBondContact O-CB 3.46Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.36Å; L258-R262 WeakPolarHBondContact O-CB 3.28Å; L258-R262 PolarHBondContact O-N 3.49Å |
| 259 | K | 84.9 | Confident | 76.8 | Confident | 154 Ų | 154 | 106.4 Ų | 106.4 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.3 | -42.7 | 173.3 | -81.8 | 179.4 | -179.6 | 176.8 | 0 | 111.9 | S255 A256 A257 R262 A263 | S255-K259 WeakPolarHBondContact O-CG 3.48Å; S255-K259 PolarHBondContact O-N 3.25Å; A256-K259 PolarHBondContact O-N 3.15Å; A257-K259 VanDerWaalsContact C-N 3.32Å; A257-K259 PolarHBondContact O-N 3.3Å; K259-R262 PolarHBondContact O-N 3.42Å; K259-A263 WeakPolarHBondContact O-CB 3.34Å; K259-A263 PolarHBondContact O-N 2.89Å |
| 260 | D | 85.5 | Confident | 79.5 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -46.3 | 177.9 | -169 | 56.9 | 0 | 0 | 0 | 111.5 | A256 A257 R262 A263 Q264 | A256-D260 PolarHBondContact O-N 2.96Å; A257-D260 PolarHBondContact O-N 2.89Å; D260-R262 VanDerWaalsContact C-N 3.28Å; D260-R262 PolarHBondContact O-N 3.32Å; D260-A263 CarbonylContact O-C 3.57Å; D260-A263 PolarHBondContact O-N 3.46Å; D260-A263 VanDerWaalsContact O-N 3.08Å; D260-Q264 WeakPolarHBondContact O-CB 3.4Å; D260-Q264 VanDerWaalsContact O-CG 3.31Å; D260-Q264 WeakPolarHBondContact O-CG 3.42Å; D260-Q264 PolarHBondContact O-N 3.3Å; D260-Q264 PolarHBondContact OD2-NE2 3.36Å |
| 261 | I | 88.1 | Confident | 81.6 | Confident | 78 Ų | 78 | 104.6 Ų | 104.6 | 40% | 0.4 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -54.6 | -45 | 171.4 | -70.6 | 165.3 | 0 | 0 | 0 | 110.4 | A257 Q264 Y265 | A257-I261 VanDerWaalsContact O-CB 3.25Å; A257-I261 WeakPolarHBondContact O-CB 3.5Å; A257-I261 WeakPolarHBondContact O-CD1 3.36Å; A257-I261 WeakPolarHBondContact O-CG1 3.5Å; A257-I261 PolarHBondContact O-N 3.04Å; I261-Q264 PolarHBondContact O-N 2.94Å; I261-Y265 HydrophobicContact CG2-CD2 3.64Å; I261-Y265 HydrophobicContact CG2-CE2 3.68Å; I261-Y265 VanDerWaalsContact O-CD2 3.28Å; I261-Y265 WeakPolarHBondContact O-CD2 3.35Å; I261-Y265 PolarHBondContact O-N 3.47Å |
| 262 | R | 88.7 | Confident | 83.6 | Confident | 166 Ų | 166 | 101.1 Ų | 101.1 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 175.4 | -178.7 | 175.8 | -177.7 | 139.1 | 6.4 | 112.3 | L258 K259 D260 Q264 Y265 E266 | L258-R262 WeakPolarHBondContact O-CB 3.28Å; L258-R262 PolarHBondContact O-N 3.49Å; K259-R262 PolarHBondContact O-N 3.42Å; D260-R262 VanDerWaalsContact C-N 3.28Å; D260-R262 PolarHBondContact O-N 3.32Å; R262-Q264 VanDerWaalsContact C-N 3.32Å; R262-Q264 PolarHBondContact O-N 3.03Å; R262-Y265 PolarHBondContact O-N 2.84Å; R262-E266 HydrophobicContact CG-CG 4.4Å; R262-E266 WeakPolarHBondContact CG-OE1 3.48Å; R262-E266 IonicContact CZ-OE1 2.76Å; R262-E266 IonicContact NE-OE1 3.18Å; R262-E266 PolarHBondContact NE-OE1 3.46Å; R262-E266 IonicContact NH2-OE1 3.97Å; R262-E266 WeakPolarHBondContact O-CB 3.29Å; R262-E266 WeakPolarHBondContact O-CG 3.46Å; R262-E266 PolarHBondContact O-N 3.36Å |
| 263 | A | 88.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K259 D260 K267 | K259-A263 WeakPolarHBondContact O-CB 3.34Å; K259-A263 PolarHBondContact O-N 2.89Å; D260-A263 CarbonylContact O-C 3.57Å; D260-A263 PolarHBondContact O-N 3.46Å; D260-A263 VanDerWaalsContact O-N 3.08Å; A263-K267 WeakPolarHBondContact O-CB 3.5Å; A263-K267 PolarHBondContact O-N 2.9Å |
| 264 | Q | 90.6 | Very high | 86.7 | Confident | 112 Ų | 112 | 100.7 Ų | 100.7 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 172.5 | -69.2 | -176.8 | 32.3 | 0 | 0 | 111.4 | D260 I261 R262 K267 L268 | D260-Q264 WeakPolarHBondContact O-CB 3.4Å; D260-Q264 VanDerWaalsContact O-CG 3.31Å; D260-Q264 WeakPolarHBondContact O-CG 3.42Å; D260-Q264 PolarHBondContact O-N 3.3Å; D260-Q264 PolarHBondContact OD2-NE2 3.36Å; I261-Q264 PolarHBondContact O-N 2.94Å; R262-Q264 VanDerWaalsContact C-N 3.32Å; R262-Q264 PolarHBondContact O-N 3.03Å; Q264-K267 PolarHBondContact O-N 3.47Å; Q264-L268 VanDerWaalsContact O-CB 3.24Å; Q264-L268 WeakPolarHBondContact O-CB 3.23Å; Q264-L268 PolarHBondContact O-N 3.32Å |
| 265 | Y | 92.8 | Very high | 88.2 | Confident | 165 Ų | 165 | 101.6 Ų | 101.6 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 174.1 | -90.1 | -71.2 | 0 | 0 | 0 | 112.7 | I261 R262 K267 L268 A269 | I261-Y265 HydrophobicContact CG2-CD2 3.64Å; I261-Y265 HydrophobicContact CG2-CE2 3.68Å; I261-Y265 VanDerWaalsContact O-CD2 3.28Å; I261-Y265 WeakPolarHBondContact O-CD2 3.35Å; I261-Y265 PolarHBondContact O-N 3.47Å; R262-Y265 PolarHBondContact O-N 2.84Å; Y265-K267 VanDerWaalsContact C-N 3.33Å; Y265-K267 PolarHBondContact O-N 2.95Å; Y265-L268 PolarHBondContact O-N 3.02Å; Y265-A269 VanDerWaalsContact O-CB 3.25Å; Y265-A269 WeakPolarHBondContact O-CB 3.3Å; Y265-A269 PolarHBondContact O-N 2.77Å |
| 266 | E | 90.9 | Very high | 89.4 | Confident | 108 Ų | 108 | 100 Ų | 100 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.4 | -74.8 | 171.7 | -172.9 | 0 | 0 | 110.6 | R262 A270 | R262-E266 HydrophobicContact CG-CG 4.4Å; R262-E266 WeakPolarHBondContact CG-OE1 3.48Å; R262-E266 IonicContact CZ-OE1 2.76Å; R262-E266 IonicContact NE-OE1 3.18Å; R262-E266 PolarHBondContact NE-OE1 3.46Å; R262-E266 IonicContact NH2-OE1 3.97Å; R262-E266 WeakPolarHBondContact O-CB 3.29Å; R262-E266 WeakPolarHBondContact O-CG 3.46Å; R262-E266 PolarHBondContact O-N 3.36Å; E266-A270 VanDerWaalsContact O-CB 3.3Å; E266-A270 WeakPolarHBondContact O-CB 3.22Å; E266-A270 PolarHBondContact O-N 2.73Å |
| 267 | K | 93.4 | Very high | 90.5 | Very high | 143 Ų | 143 | 101.1 Ų | 101.1 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.8 | -36.7 | 173.8 | -171.3 | 176.4 | -174.8 | 177.7 | 0 | 113.1 | A263 Q264 Y265 K271 | A263-K267 WeakPolarHBondContact O-CB 3.5Å; A263-K267 PolarHBondContact O-N 2.9Å; Q264-K267 PolarHBondContact O-N 3.47Å; Y265-K267 VanDerWaalsContact C-N 3.33Å; Y265-K267 PolarHBondContact O-N 2.95Å; K267-K271 WeakPolarHBondContact O-CB 3.21Å; K267-K271 WeakPolarHBondContact O-CG 3.17Å; K267-K271 PolarHBondContact O-N 3.42Å |
| 268 | L | 92.6 | Very high | 91.4 | Very high | 106 Ų | 106 | 103.3 Ų | 103.3 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.3 | -40.6 | 176.6 | -177.2 | 62.6 | 0 | 0 | 0 | 111.2 | Q264 Y265 K271 N272 | Q264-L268 VanDerWaalsContact O-CB 3.24Å; Q264-L268 WeakPolarHBondContact O-CB 3.23Å; Q264-L268 PolarHBondContact O-N 3.32Å; Y265-L268 PolarHBondContact O-N 3.02Å; L268-K271 PolarHBondContact O-N 2.94Å; L268-N272 VanDerWaalsContact O-CB 3.27Å; L268-N272 WeakPolarHBondContact O-CB 3.43Å; L268-N272 PolarHBondContact O-N 3.27Å |
| 269 | A | 91.9 | Very high | 92.1 | Very high | 60 Ų | 60 | 106.4 Ų | 106.4 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y265 N272 M273 | Y265-A269 VanDerWaalsContact O-CB 3.25Å; Y265-A269 WeakPolarHBondContact O-CB 3.3Å; Y265-A269 PolarHBondContact O-N 2.77Å; A269-N272 PolarHBondContact O-N 3.27Å; A269-M273 WeakPolarHBondContact O-CB 3.47Å; A269-M273 PolarHBondContact O-N 2.98Å |
| 270 | A | 93 | Very high | 92.7 | Very high | 54 Ų | 54 | 105.4 Ų | 105.4 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E266 M273 Q274 | E266-A270 VanDerWaalsContact O-CB 3.3Å; E266-A270 WeakPolarHBondContact O-CB 3.22Å; E266-A270 PolarHBondContact O-N 2.73Å; A270-M273 PolarHBondContact O-N 2.91Å; A270-Q274 WeakPolarHBondContact O-CB 3.26Å; A270-Q274 PolarHBondContact O-N 3.28Å |
| 271 | K | 94.6 | Very high | 93.2 | Very high | 121 Ų | 121 | 106.6 Ų | 106.6 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 172.8 | -82.9 | -173.7 | 168 | -163.4 | 0 | 112.8 | K267 L268 Q274 N275 | K267-K271 WeakPolarHBondContact O-CB 3.21Å; K267-K271 WeakPolarHBondContact O-CG 3.17Å; K267-K271 PolarHBondContact O-N 3.42Å; L268-K271 PolarHBondContact O-N 2.94Å; K271-Q274 PolarHBondContact O-N 2.9Å; K271-N275 VanDerWaalsContact O-CB 3.3Å; K271-N275 WeakPolarHBondContact O-CB 3.38Å; K271-N275 PolarHBondContact O-N 3.05Å; K271-N275 PolarHBondContact O-OD1 2.83Å |
| 272 | N | 94.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 106.1 Ų | 106.1 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 178 | -172 | -14 | 0 | 0 | 0 | 110.2 | L268 A269 Q274 N275 A276 | L268-N272 VanDerWaalsContact O-CB 3.27Å; L268-N272 WeakPolarHBondContact O-CB 3.43Å; L268-N272 PolarHBondContact O-N 3.27Å; A269-N272 PolarHBondContact O-N 3.27Å; N272-Q274 PolarHBondContact O-N 3.38Å; N272-N275 PolarHBondContact O-N 2.91Å; N272-A276 WeakPolarHBondContact O-CB 3.22Å; N272-A276 PolarHBondContact O-N 3.28Å |
| 273 | M | 94.1 | Very high | 94 | Very high | 125 Ų | 125 | 105.2 Ų | 105.2 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 175.4 | -167.1 | 171.7 | 75.7 | 0 | 0 | 112.4 | A269 A270 A276 E277 | A269-M273 WeakPolarHBondContact O-CB 3.47Å; A269-M273 PolarHBondContact O-N 2.98Å; A270-M273 PolarHBondContact O-N 2.91Å; M273-A276 PolarHBondContact O-N 3.05Å; M273-E277 PolarHBondContact O-N 2.97Å |
| 274 | Q | 95.3 | Very high | 94.4 | Very high | 105 Ų | 105 | 109.9 Ų | 109.9 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 175.1 | -178.1 | 178.4 | -7.8 | 0 | 0 | 111.9 | A270 K271 N272 A276 E277 E278 | A270-Q274 WeakPolarHBondContact O-CB 3.26Å; A270-Q274 PolarHBondContact O-N 3.28Å; K271-Q274 PolarHBondContact O-N 2.9Å; N272-Q274 PolarHBondContact O-N 3.38Å; Q274-A276 VanDerWaalsContact C-N 3.3Å; Q274-A276 PolarHBondContact O-N 3.16Å; Q274-E277 WeakPolarHBondContact O-CB 3.47Å; Q274-E277 PolarHBondContact O-N 3.18Å; Q274-E278 HydrophobicContact CG-CG 4.45Å; Q274-E278 VanDerWaalsContact CG-OE1 3.31Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.33Å; Q274-E278 PolarHBondContact NE2-OE1 2.95Å; Q274-E278 WeakPolarHBondContact O-CB 3.37Å; Q274-E278 WeakPolarHBondContact O-CG 3.49Å; Q274-E278 PolarHBondContact O-N 3.2Å |
| 275 | N | 94.6 | Very high | 94.7 | Very high | 99 Ų | 99 | 108 Ų | 108 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.8 | -71.8 | 8.2 | 0 | 0 | 0 | 111.4 | K271 N272 E278 W279 | K271-N275 VanDerWaalsContact O-CB 3.3Å; K271-N275 WeakPolarHBondContact O-CB 3.38Å; K271-N275 PolarHBondContact O-N 3.05Å; K271-N275 PolarHBondContact O-OD1 2.83Å; N272-N275 PolarHBondContact O-N 2.91Å; N275-E278 PolarHBondContact O-N 3.23Å; N275-W279 WeakPolarHBondContact O-CB 3.27Å; N275-W279 PolarHBondContact O-N 3.33Å |
| 276 | A | 93.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 103.6 Ų | 103.6 | 31% | 0.306 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N272 M273 Q274 E278 W279 F280 | N272-A276 WeakPolarHBondContact O-CB 3.22Å; N272-A276 PolarHBondContact O-N 3.28Å; M273-A276 PolarHBondContact O-N 3.05Å; Q274-A276 VanDerWaalsContact C-N 3.3Å; Q274-A276 PolarHBondContact O-N 3.16Å; A276-E278 PolarHBondContact O-N 2.9Å; A276-W279 PolarHBondContact O-N 2.94Å; A276-F280 WeakPolarHBondContact O-CB 3.49Å; A276-F280 WeakPolarHBondContact O-CD2 3.47Å; A276-F280 PolarHBondContact O-N 2.89Å |
| 277 | E | 95.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 103.4 Ų | 103.4 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 173.7 | -81.6 | -170.3 | -143 | 0 | 0 | 112.7 | M273 Q274 F280 K281 | M273-E277 PolarHBondContact O-N 2.97Å; Q274-E277 WeakPolarHBondContact O-CB 3.47Å; Q274-E277 PolarHBondContact O-N 3.18Å; E277-F280 PolarHBondContact O-N 3.49Å; E277-K281 WeakPolarHBondContact O-CB 3.43Å; E277-K281 WeakPolarHBondContact O-CD 3.41Å; E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 2.9Å; E277-K281 IonicContact OE2-NZ 2.73Å; E277-K281 PolarHBondContact OE2-NZ 3.28Å |
| 278 | E | 95.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 178.2 | -73.5 | 174.7 | -168.1 | 0 | 0 | 111.4 | Q274 N275 A276 K281 S282 | Q274-E278 HydrophobicContact CG-CG 4.45Å; Q274-E278 VanDerWaalsContact CG-OE1 3.31Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.33Å; Q274-E278 PolarHBondContact NE2-OE1 2.95Å; Q274-E278 WeakPolarHBondContact O-CB 3.37Å; Q274-E278 WeakPolarHBondContact O-CG 3.49Å; Q274-E278 PolarHBondContact O-N 3.2Å; N275-E278 PolarHBondContact O-N 3.23Å; A276-E278 PolarHBondContact O-N 2.9Å; E278-K281 PolarHBondContact O-N 3.32Å; E278-S282 VanDerWaalsContact O-CB 3.25Å; E278-S282 WeakPolarHBondContact O-CB 3.36Å; E278-S282 PolarHBondContact O-N 3.25Å |
| 279 | W | 95.8 | Very high | 95.5 | Very high | 164 Ų | 164 | 100.1 Ų | 100.1 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 172.9 | -176 | 88.1 | 0 | 0 | 0 | 112 | N275 A276 S282 R283 | N275-W279 WeakPolarHBondContact O-CB 3.27Å; N275-W279 PolarHBondContact O-N 3.33Å; A276-W279 PolarHBondContact O-N 2.94Å; W279-S282 PolarHBondContact O-N 2.91Å; W279-R283 WeakPolarHBondContact O-CB 3.4Å; W279-R283 PolarHBondContact O-N 3.5Å |
| 280 | F | 96.6 | Very high | 95.7 | Very high | 133 Ų | 133 | 100.7 Ų | 100.7 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 175.4 | -79.6 | -61.5 | 0 | 0 | 0 | 111.9 | A276 E277 R283 F284 | A276-F280 WeakPolarHBondContact O-CB 3.49Å; A276-F280 WeakPolarHBondContact O-CD2 3.47Å; A276-F280 PolarHBondContact O-N 2.89Å; E277-F280 PolarHBondContact O-N 3.49Å; F280-R283 PolarHBondContact O-N 3.12Å; F280-F284 VanDerWaalsContact O-CB 3.32Å; F280-F284 WeakPolarHBondContact O-CB 3.48Å; F280-F284 PolarHBondContact O-N 3.39Å |
| 281 | K | 97.1 | Very high | 95.8 | Very high | 116 Ų | 116 | 100.6 Ų | 100.6 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 176.4 | -72.6 | 161.1 | -165.8 | 162.1 | 0 | 110.9 | E277 E278 F284 T285 | E277-K281 WeakPolarHBondContact O-CB 3.43Å; E277-K281 WeakPolarHBondContact O-CD 3.41Å; E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 2.9Å; E277-K281 IonicContact OE2-NZ 2.73Å; E277-K281 PolarHBondContact OE2-NZ 3.28Å; E278-K281 PolarHBondContact O-N 3.32Å; K281-F284 PolarHBondContact O-N 3.01Å; K281-T285 PolarHBondContact O-N 2.95Å; K281-T285 PolarHBondContact O-OG1 2.87Å |
| 282 | S | 96.7 | Very high | 95.9 | Very high | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 176.9 | -179 | 0 | 0 | 0 | 0 | 112.4 | E278 W279 F284 T285 V286 | E278-S282 VanDerWaalsContact O-CB 3.25Å; E278-S282 WeakPolarHBondContact O-CB 3.36Å; E278-S282 PolarHBondContact O-N 3.25Å; W279-S282 PolarHBondContact O-N 2.91Å; S282-F284 VanDerWaalsContact C-N 3.29Å; S282-F284 PolarHBondContact O-N 2.95Å; S282-T285 PolarHBondContact O-N 2.95Å; S282-T285 PolarHBondContact O-OG1 2.97Å; S282-V286 WeakPolarHBondContact O-CG2 3.14Å; S282-V286 PolarHBondContact O-N 3.08Å |
| 283 | R | 96.6 | Very high | 96.1 | Very high | 147 Ų | 147 | 98.3 Ų | 98.3 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | 175.3 | -174.4 | 56.7 | 174.6 | 179.3 | -0.2 | 111.6 | W279 F280 L287 | W279-R283 WeakPolarHBondContact O-CB 3.4Å; W279-R283 PolarHBondContact O-N 3.5Å; F280-R283 PolarHBondContact O-N 3.12Å; R283-L287 WeakPolarHBondContact O-CB 3.25Å; R283-L287 PolarHBondContact O-N 2.9Å |
| 284 | F | 97.1 | Very high | 96.2 | Very high | 148 Ų | 148 | 97.4 Ų | 97.4 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.2 | -40.2 | 178.2 | -153.8 | -81.6 | 0 | 0 | 0 | 112.5 | F280 K281 S282 L287 T288 | F280-F284 VanDerWaalsContact O-CB 3.32Å; F280-F284 WeakPolarHBondContact O-CB 3.48Å; F280-F284 PolarHBondContact O-N 3.39Å; K281-F284 PolarHBondContact O-N 3.01Å; S282-F284 VanDerWaalsContact C-N 3.29Å; S282-F284 PolarHBondContact O-N 2.95Å; F284-L287 PolarHBondContact O-N 3.06Å; F284-T288 WeakPolarHBondContact O-CB 3.39Å; F284-T288 PolarHBondContact O-N 3.06Å; F284-T288 PolarHBondContact O-OG1 3.23Å |
| 285 | T | 96.9 | Very high | 96.3 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 173.7 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | K281 S282 L287 T288 E289 | K281-T285 PolarHBondContact O-N 2.95Å; K281-T285 PolarHBondContact O-OG1 2.87Å; S282-T285 PolarHBondContact O-N 2.95Å; S282-T285 PolarHBondContact O-OG1 2.97Å; T285-L287 VanDerWaalsContact C-N 3.31Å; T285-L287 PolarHBondContact O-N 3.12Å; T285-T288 PolarHBondContact O-N 2.97Å; T285-T288 VanDerWaalsContact O-N 3.13Å; T285-E289 WeakPolarHBondContact O-CB 3.14Å; T285-E289 WeakPolarHBondContact O-CG 3.5Å; T285-E289 PolarHBondContact O-N 2.88Å |
| 286 | V | 96.9 | Very high | 96.4 | Very high | 71 Ų | 71 | 95.4 Ų | 95.4 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | S282 S290 | S282-V286 WeakPolarHBondContact O-CG2 3.14Å; S282-V286 PolarHBondContact O-N 3.08Å; V286-S290 WeakPolarHBondContact O-CB 3.19Å; V286-S290 PolarHBondContact O-N 2.92Å |
| 287 | L | 96.1 | Very high | 96.5 | Very high | 104 Ų | 104 | 96.4 Ų | 96.4 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.8 | -159.8 | 82.1 | 0 | 0 | 0 | 111.9 | R283 F284 T285 S290 A291 | R283-L287 WeakPolarHBondContact O-CB 3.25Å; R283-L287 PolarHBondContact O-N 2.9Å; F284-L287 PolarHBondContact O-N 3.06Å; T285-L287 VanDerWaalsContact C-N 3.31Å; T285-L287 PolarHBondContact O-N 3.12Å; L287-S290 PolarHBondContact O-N 3.24Å; L287-A291 WeakPolarHBondContact O-CB 3.31Å; L287-A291 PolarHBondContact O-N 2.83Å |
| 288 | T | 96.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 95.5 Ų | 95.5 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 179.2 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | F284 T285 A291 A292 | F284-T288 WeakPolarHBondContact O-CB 3.39Å; F284-T288 PolarHBondContact O-N 3.06Å; F284-T288 PolarHBondContact O-OG1 3.23Å; T285-T288 PolarHBondContact O-N 2.97Å; T285-T288 VanDerWaalsContact O-N 3.13Å; T288-A291 PolarHBondContact O-N 3.27Å; T288-A292 WeakPolarHBondContact O-CB 3.05Å; T288-A292 PolarHBondContact O-N 3.03Å |
| 289 | E | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 97.2 Ų | 97.2 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 174.3 | -72.7 | 174.8 | -156.1 | 0 | 0 | 112.1 | T285 A292 K293 | T285-E289 WeakPolarHBondContact O-CB 3.14Å; T285-E289 WeakPolarHBondContact O-CG 3.5Å; T285-E289 PolarHBondContact O-N 2.88Å; E289-A292 PolarHBondContact O-N 3.5Å; E289-K293 WeakPolarHBondContact O-CB 3.37Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.39Å; E289-K293 PolarHBondContact O-N 3.48Å |
| 290 | S | 95.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 92.1 Ų | 92.1 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | V286 L287 K293 N294 | V286-S290 WeakPolarHBondContact O-CB 3.19Å; V286-S290 PolarHBondContact O-N 2.92Å; L287-S290 PolarHBondContact O-N 3.24Å; S290-K293 PolarHBondContact O-N 3.18Å; S290-N294 WeakPolarHBondContact O-CB 3.48Å; S290-N294 PolarHBondContact O-N 3.45Å |
| 291 | A | 96.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 88.1 Ų | 88.1 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L287 T288 N294 T295 | L287-A291 WeakPolarHBondContact O-CB 3.31Å; L287-A291 PolarHBondContact O-N 2.83Å; T288-A291 PolarHBondContact O-N 3.27Å; A291-N294 PolarHBondContact O-N 3.06Å; A291-T295 WeakPolarHBondContact O-CG2 3.5Å; A291-T295 PolarHBondContact O-N 3.36Å; A291-T295 PolarHBondContact O-OG1 3.29Å |
| 292 | A | 96.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 89.4 Ų | 89.4 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60 | -51 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T288 E289 N294 T295 D296 | T288-A292 WeakPolarHBondContact O-CB 3.05Å; T288-A292 PolarHBondContact O-N 3.03Å; E289-A292 PolarHBondContact O-N 3.5Å; A292-N294 VanDerWaalsContact C-N 3.3Å; A292-N294 PolarHBondContact O-N 2.8Å; A292-T295 WeakPolarHBondContact CA-OG1 3.44Å; A292-T295 PolarHBondContact O-N 3.16Å; A292-T295 PolarHBondContact O-OG1 3.48Å; A292-D296 PolarHBondContact O-N 3Å |
| 293 | K | 96.9 | Very high | 96.4 | Very high | 140 Ų | 140 | 90.6 Ų | 90.6 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -55.4 | -43.1 | 175.6 | -73.3 | 168.5 | -177.2 | 170.9 | 0 | 112.2 | E289 S290 D296 A297 | E289-K293 WeakPolarHBondContact O-CB 3.37Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.39Å; E289-K293 PolarHBondContact O-N 3.48Å; S290-K293 PolarHBondContact O-N 3.18Å; K293-D296 PolarHBondContact O-N 2.83Å; K293-A297 WeakPolarHBondContact O-CB 3.46Å; K293-A297 PolarHBondContact O-N 3.24Å |
| 294 | N | 96.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 90 Ų | 90 | 57% | 0.567 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 175.9 | -169.1 | 12.6 | 0 | 0 | 0 | 111.7 | S290 A291 A292 D296 A297 V298 | S290-N294 WeakPolarHBondContact O-CB 3.48Å; S290-N294 PolarHBondContact O-N 3.45Å; A291-N294 PolarHBondContact O-N 3.06Å; A292-N294 VanDerWaalsContact C-N 3.3Å; A292-N294 PolarHBondContact O-N 2.8Å; N294-D296 VanDerWaalsContact C-N 3.29Å; N294-D296 PolarHBondContact O-N 2.85Å; N294-A297 PolarHBondContact O-N 2.94Å; N294-V298 WeakPolarHBondContact O-CB 3.37Å; N294-V298 WeakPolarHBondContact O-CG2 3.39Å; N294-V298 PolarHBondContact O-N 3.25Å |
| 295 | T | 97.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 87.8 Ų | 87.8 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -31.9 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | A291 A292 R299 | A291-T295 WeakPolarHBondContact O-CG2 3.5Å; A291-T295 PolarHBondContact O-N 3.36Å; A291-T295 PolarHBondContact O-OG1 3.29Å; A292-T295 WeakPolarHBondContact CA-OG1 3.44Å; A292-T295 PolarHBondContact O-N 3.16Å; A292-T295 PolarHBondContact O-OG1 3.48Å; T295-R299 PolarHBondContact O-N 3.31Å; T295-R299 VanDerWaalsContact O-N 3.1Å |
| 296 | D | 97 | Very high | 96 | Very high | 85 Ų | 85 | 87.2 Ų | 87.2 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.6 | -40.3 | 176.6 | -67.9 | -21.2 | 0 | 0 | 0 | 111.6 | A292 K293 N294 R299 A300 | A292-D296 PolarHBondContact O-N 3Å; K293-D296 PolarHBondContact O-N 2.83Å; N294-D296 VanDerWaalsContact C-N 3.29Å; N294-D296 PolarHBondContact O-N 2.85Å; D296-R299 WeakPolarHBondContact O-CB 3.39Å; D296-R299 PolarHBondContact O-N 3.35Å; D296-R299 VanDerWaalsContact O-N 3.12Å; D296-R299 IonicContact OD1-CZ 3.21Å; D296-R299 IonicContact OD1-NH1 2.64Å; D296-R299 PolarHBondContact OD1-NH1 3.3Å; D296-R299 IonicContact OD1-NH2 2.85Å; D296-A300 PolarHBondContact O-N 2.89Å |
| 297 | A | 95.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 88.2 Ų | 88.2 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | K293 N294 R299 A300 A301 | K293-A297 WeakPolarHBondContact O-CB 3.46Å; K293-A297 PolarHBondContact O-N 3.24Å; N294-A297 PolarHBondContact O-N 2.94Å; A297-R299 VanDerWaalsContact C-N 3.26Å; A297-R299 PolarHBondContact O-N 2.93Å; A297-A300 PolarHBondContact O-N 3.16Å; A297-A301 WeakPolarHBondContact O-CB 3.18Å; A297-A301 PolarHBondContact O-N 3.33Å |
| 298 | V | 96.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -30.2 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | N294 K302 | N294-V298 WeakPolarHBondContact O-CB 3.37Å; N294-V298 WeakPolarHBondContact O-CG2 3.39Å; N294-V298 PolarHBondContact O-N 3.25Å; V298-K302 VanDerWaalsContact O-CG 3.31Å; V298-K302 WeakPolarHBondContact O-CG 3.37Å; V298-K302 PolarHBondContact O-N 3.45Å |
| 299 | R | 97.1 | Very high | 95.6 | Very high | 133 Ų | 133 | 91 Ų | 91 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.8 | -48.9 | 173.7 | -165.7 | -177.6 | -58 | 96.5 | 0.9 | 111 | T295 D296 A297 A301 K302 D303 | T295-R299 PolarHBondContact O-N 3.31Å; T295-R299 VanDerWaalsContact O-N 3.1Å; D296-R299 WeakPolarHBondContact O-CB 3.39Å; D296-R299 PolarHBondContact O-N 3.35Å; D296-R299 VanDerWaalsContact O-N 3.12Å; D296-R299 IonicContact OD1-CZ 3.21Å; D296-R299 IonicContact OD1-NH1 2.64Å; D296-R299 PolarHBondContact OD1-NH1 3.3Å; D296-R299 IonicContact OD1-NH2 2.85Å; A297-R299 VanDerWaalsContact C-N 3.26Å; A297-R299 PolarHBondContact O-N 2.93Å; R299-A301 VanDerWaalsContact C-N 3.35Å; R299-A301 PolarHBondContact O-N 2.98Å; R299-K302 WeakPolarHBondContact O-CB 3.34Å; R299-K302 PolarHBondContact O-N 2.87Å; R299-D303 VanDerWaalsContact O-CG 3.31Å; R299-D303 PolarHBondContact O-N 3.4Å |
| 300 | A | 95.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 94 Ų | 94 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.1 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | D296 A297 K302 D303 E304 | D296-A300 PolarHBondContact O-N 2.89Å; A297-A300 PolarHBondContact O-N 3.16Å; A300-K302 VanDerWaalsContact C-N 3.3Å; A300-K302 PolarHBondContact O-N 3.42Å; A300-D303 PolarHBondContact O-N 2.69Å; A300-E304 WeakPolarHBondContact O-CB 3.5Å; A300-E304 PolarHBondContact O-N 2.93Å |
| 301 | A | 93.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A297 R299 V305 | A297-A301 WeakPolarHBondContact O-CB 3.18Å; A297-A301 PolarHBondContact O-N 3.33Å; R299-A301 VanDerWaalsContact C-N 3.35Å; R299-A301 PolarHBondContact O-N 2.98Å; A301-V305 WeakPolarHBondContact O-CB 3.49Å; A301-V305 VanDerWaalsContact O-CG2 3.25Å; A301-V305 WeakPolarHBondContact O-CG2 3.42Å; A301-V305 PolarHBondContact O-N 3.2Å |
| 302 | K | 96.9 | Very high | 95.2 | Very high | 143 Ų | 143 | 98.9 Ų | 98.9 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -40 | 173.7 | -80.8 | 176.9 | 177.6 | 179.7 | 0 | 112.4 | V298 R299 A300 S306 | V298-K302 VanDerWaalsContact O-CG 3.31Å; V298-K302 WeakPolarHBondContact O-CG 3.37Å; V298-K302 PolarHBondContact O-N 3.45Å; R299-K302 WeakPolarHBondContact O-CB 3.34Å; R299-K302 PolarHBondContact O-N 2.87Å; A300-K302 VanDerWaalsContact C-N 3.3Å; A300-K302 PolarHBondContact O-N 3.42Å; K302-S306 WeakPolarHBondContact O-CB 3.5Å; K302-S306 PolarHBondContact O-N 3.02Å |
| 303 | D | 95.1 | Very high | 95 | Very high | 91 Ų | 91 | 102.9 Ų | 102.9 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 178.8 | -64.4 | -23.4 | 0 | 0 | 0 | 109.8 | R299 A300 S306 E307 | R299-D303 VanDerWaalsContact O-CG 3.31Å; R299-D303 PolarHBondContact O-N 3.4Å; A300-D303 PolarHBondContact O-N 2.69Å; D303-S306 WeakPolarHBondContact O-CA 3.38Å; D303-S306 WeakPolarHBondContact O-CB 3.37Å; D303-S306 PolarHBondContact O-N 3.16Å; D303-S306 VanDerWaalsContact O-N 3.08Å; D303-S306 PolarHBondContact O-OG 2.83Å; D303-E307 PolarHBondContact O-N 2.8Å |
| 304 | E | 93.5 | Very high | 94.6 | Very high | 136 Ų | 136 | 98.7 Ų | 98.7 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.2 | -51.8 | 172.5 | -176.5 | 176.1 | -162.5 | 0 | 0 | 112 | A300 S306 E307 S308 | A300-E304 WeakPolarHBondContact O-CB 3.5Å; A300-E304 PolarHBondContact O-N 2.93Å; E304-S306 PolarHBondContact O-N 3.18Å; E304-E307 PolarHBondContact O-N 3.2Å; E304-E307 VanDerWaalsContact O-N 3.12Å; E304-S308 PolarHBondContact O-N 2.98Å; E304-S308 PolarHBondContact O-OG 2.84Å; E304-S308 VanDerWaalsContact O-OG 3.04Å |
| 305 | V | 95.1 | Very high | 94.2 | Very high | 100 Ų | 100 | 99.2 Ų | 99.2 | 61% | 0.606 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.1 | -34.4 | 174.4 | 166.7 | 0 | 0 | 0 | 0 | 112 | A301 R309 | A301-V305 WeakPolarHBondContact O-CB 3.49Å; A301-V305 VanDerWaalsContact O-CG2 3.25Å; A301-V305 WeakPolarHBondContact O-CG2 3.42Å; A301-V305 PolarHBondContact O-N 3.2Å; V305-R309 VanDerWaalsContact O-CB 3.26Å; V305-R309 WeakPolarHBondContact O-CB 3.36Å; V305-R309 PolarHBondContact O-N 3.07Å |
| 306 | S | 94.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 98.2 Ų | 98.2 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.8 | -39.2 | 178.3 | 86.2 | 0 | 0 | 0 | 0 | 112.7 | K302 D303 E304 R309 R310 | K302-S306 WeakPolarHBondContact O-CB 3.5Å; K302-S306 PolarHBondContact O-N 3.02Å; D303-S306 WeakPolarHBondContact O-CA 3.38Å; D303-S306 WeakPolarHBondContact O-CB 3.37Å; D303-S306 PolarHBondContact O-N 3.16Å; D303-S306 VanDerWaalsContact O-N 3.08Å; D303-S306 PolarHBondContact O-OG 2.83Å; E304-S306 PolarHBondContact O-N 3.18Å; S306-R309 PolarHBondContact O-N 3.27Å; S306-R310 PolarHBondContact O-N 2.92Å |
| 307 | E | 94.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.6 | -40.8 | 176 | -73.6 | -59.2 | 148.1 | 0 | 0 | 111.7 | D303 E304 R309 R310 L311 | D303-E307 PolarHBondContact O-N 2.8Å; E304-E307 PolarHBondContact O-N 3.2Å; E304-E307 VanDerWaalsContact O-N 3.12Å; E307-R309 VanDerWaalsContact C-N 3.25Å; E307-R309 PolarHBondContact O-N 2.69Å; E307-R310 CarbonylContact O-C 3.51Å; E307-R310 WeakPolarHBondContact O-CA 3.37Å; E307-R310 VanDerWaalsContact O-CB 3.32Å; E307-R310 WeakPolarHBondContact O-CB 3.4Å; E307-R310 PolarHBondContact O-N 3.47Å; E307-R310 IonicContact OE1-NH1 3.79Å; E307-R310 WeakPolarHBondContact OE2-CD 3.31Å; E307-L311 WeakPolarHBondContact O-CG 3.38Å; E307-L311 PolarHBondContact O-N 3.4Å |
| 308 | S | 92.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 101.4 Ų | 101.4 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56 | -41.8 | 169.9 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | E304 R310 L311 L312 | E304-S308 PolarHBondContact O-N 2.98Å; E304-S308 PolarHBondContact O-OG 2.84Å; E304-S308 VanDerWaalsContact O-OG 3.04Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 2.93Å; S308-L311 PolarHBondContact O-N 3.29Å; S308-L312 WeakPolarHBondContact O-CB 3.45Å; S308-L312 PolarHBondContact O-N 2.88Å |
| 309 | R | 94.1 | Very high | 93.1 | Very high | 172 Ų | 172 | 102 Ų | 102 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.2 | -27.8 | 175.2 | -170.4 | 174.6 | -171.6 | 178.2 | 4.1 | 113 | V305 S306 E307 K313 | V305-R309 VanDerWaalsContact O-CB 3.26Å; V305-R309 WeakPolarHBondContact O-CB 3.36Å; V305-R309 PolarHBondContact O-N 3.07Å; S306-R309 PolarHBondContact O-N 3.27Å; E307-R309 VanDerWaalsContact C-N 3.25Å; E307-R309 PolarHBondContact O-N 2.69Å; R309-K313 WeakPolarHBondContact O-CG 3.33Å; R309-K313 PolarHBondContact O-N 3.39Å |
| 310 | R | 93.9 | Very high | 92.9 | Very high | 168 Ų | 168 | 100.8 Ų | 100.8 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.2 | -45.6 | 174.1 | -172.7 | -174.2 | -174.8 | 155.2 | -0.1 | 111.3 | S306 E307 S308 K313 A314 | S306-R310 PolarHBondContact O-N 2.92Å; E307-R310 CarbonylContact O-C 3.51Å; E307-R310 WeakPolarHBondContact O-CA 3.37Å; E307-R310 VanDerWaalsContact O-CB 3.32Å; E307-R310 WeakPolarHBondContact O-CB 3.4Å; E307-R310 PolarHBondContact O-N 3.47Å; E307-R310 IonicContact OE1-NH1 3.79Å; E307-R310 WeakPolarHBondContact OE2-CD 3.31Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 2.93Å; R310-K313 PolarHBondContact O-N 3.32Å; R310-A314 PolarHBondContact O-N 2.86Å |
| 311 | L | 94.1 | Very high | 92.5 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 174.8 | -71.7 | 169 | 0 | 0 | 0 | 111.2 | E307 S308 K313 A314 K315 | E307-L311 WeakPolarHBondContact O-CG 3.38Å; E307-L311 PolarHBondContact O-N 3.4Å; S308-L311 PolarHBondContact O-N 3.29Å; L311-K313 PolarHBondContact O-N 3.27Å; L311-A314 WeakPolarHBondContact O-CB 3.49Å; L311-A314 PolarHBondContact O-N 3.2Å; L311-A314 VanDerWaalsContact O-N 3.15Å; L311-K315 PolarHBondContact O-N 3.31Å |
| 312 | L | 92.4 | Very high | 92 | Very high | 113 Ų | 113 | 102.2 Ų | 102.2 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.3 | -49.6 | 175.7 | -170 | 158.7 | 0 | 0 | 0 | 110.9 | S308 A314 K315 T316 | S308-L312 WeakPolarHBondContact O-CB 3.45Å; S308-L312 PolarHBondContact O-N 2.88Å; L312-A314 PolarHBondContact O-N 3.42Å; L312-K315 PolarHBondContact O-N 2.92Å; L312-T316 PolarHBondContact O-N 3.07Å; L312-T316 PolarHBondContact O-OG1 2.9Å |
| 313 | K | 92.9 | Very high | 91.7 | Very high | 126 Ų | 126 | 103.1 Ų | 103.1 | 55% | 0.548 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.9 | -74.3 | 174.5 | 178.3 | -177.2 | 0 | 113.1 | R309 R310 L311 K315 T316 L317 | R309-K313 WeakPolarHBondContact O-CG 3.33Å; R309-K313 PolarHBondContact O-N 3.39Å; R310-K313 PolarHBondContact O-N 3.32Å; L311-K313 PolarHBondContact O-N 3.27Å; K313-K315 VanDerWaalsContact C-N 3.35Å; K313-T316 PolarHBondContact O-N 2.84Å; K313-L317 WeakPolarHBondContact O-CG 3.47Å; K313-L317 PolarHBondContact O-N 2.8Å |
| 314 | A | 88.3 | Confident | 91.5 | Very high | 53 Ų | 53 | 100.6 Ų | 100.6 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | R310 L311 L312 L317 E318 | R310-A314 PolarHBondContact O-N 2.86Å; L311-A314 WeakPolarHBondContact O-CB 3.49Å; L311-A314 PolarHBondContact O-N 3.2Å; L311-A314 VanDerWaalsContact O-N 3.15Å; L312-A314 PolarHBondContact O-N 3.42Å; A314-L317 PolarHBondContact O-N 2.94Å; A314-E318 PolarHBondContact O-N 3.47Å |
| 315 | K | 87.4 | Confident | 91.2 | Very high | 116 Ų | 116 | 100.2 Ų | 100.2 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 175.8 | -72.9 | -74.1 | 164.9 | -162.9 | 0 | 113 | L311 L312 K313 E318 I319 | L311-K315 PolarHBondContact O-N 3.31Å; L312-K315 PolarHBondContact O-N 2.92Å; K313-K315 VanDerWaalsContact C-N 3.35Å; K315-E318 VanDerWaalsContact CD-OE2 3.31Å; K315-E318 WeakPolarHBondContact CD-OE2 3.37Å; K315-E318 VanDerWaalsContact CE-OE2 3.26Å; K315-E318 WeakPolarHBondContact CE-OE2 3.2Å; K315-E318 VanDerWaalsContact NZ-CD 3.25Å; K315-E318 IonicContact NZ-OE1 3.64Å; K315-E318 PolarHBondContact NZ-OE1 3.23Å; K315-E318 IonicContact NZ-OE2 2.82Å; K315-E318 PolarHBondContact NZ-OE2 2.99Å; K315-E318 PolarHBondContact O-N 2.88Å; K315-I319 WeakPolarHBondContact O-CD1 3.47Å; K315-I319 VanDerWaalsContact O-CG1 3.25Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 3.3Å |
| 316 | T | 89.4 | Confident | 90.6 | Very high | 57 Ų | 57 | 99.9 Ų | 99.9 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 170.9 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | L312 K313 E318 I319 E320 | L312-T316 PolarHBondContact O-N 3.07Å; L312-T316 PolarHBondContact O-OG1 2.9Å; K313-T316 PolarHBondContact O-N 2.84Å; T316-E318 VanDerWaalsContact C-N 3.34Å; T316-E318 PolarHBondContact O-N 3Å; T316-I319 PolarHBondContact O-N 2.84Å; T316-E320 WeakPolarHBondContact O-CG 3.18Å; T316-E320 PolarHBondContact O-N 3.08Å |
| 317 | L | 92.1 | Very high | 90.5 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -35.1 | 177.5 | -69.3 | 171.1 | 0 | 0 | 0 | 112.6 | K313 A314 E320 A321 | K313-L317 WeakPolarHBondContact O-CG 3.47Å; K313-L317 PolarHBondContact O-N 2.8Å; A314-L317 PolarHBondContact O-N 2.94Å; L317-E320 PolarHBondContact O-N 2.86Å; L317-A321 WeakPolarHBondContact O-CB 3.07Å; L317-A321 PolarHBondContact O-N 3.26Å |
| 318 | E | 91.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 99.3 Ų | 99.3 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 173.5 | -168.4 | 177 | 164.3 | 0 | 0 | 111.2 | A314 K315 T316 E320 A321 C322 | A314-E318 PolarHBondContact O-N 3.47Å; K315-E318 VanDerWaalsContact CD-OE2 3.31Å; K315-E318 WeakPolarHBondContact CD-OE2 3.37Å; K315-E318 VanDerWaalsContact CE-OE2 3.26Å; K315-E318 WeakPolarHBondContact CE-OE2 3.2Å; K315-E318 VanDerWaalsContact NZ-CD 3.25Å; K315-E318 IonicContact NZ-OE1 3.64Å; K315-E318 PolarHBondContact NZ-OE1 3.23Å; K315-E318 IonicContact NZ-OE2 2.82Å; K315-E318 PolarHBondContact NZ-OE2 2.99Å; K315-E318 PolarHBondContact O-N 2.88Å; T316-E318 VanDerWaalsContact C-N 3.34Å; T316-E318 PolarHBondContact O-N 3Å; E318-E320 PolarHBondContact O-N 3.13Å; E318-A321 PolarHBondContact O-N 3.16Å; E318-C322 WeakPolarHBondContact O-CB 3.37Å; E318-C322 PolarHBondContact O-N 2.87Å; E318-C322 PolarHBondContact O-SG 3.44Å; E318-C322 VanDerWaalsContact O-SG 3.36Å |
| 319 | I | 91 | Very high | 89.9 | Confident | 84 Ų | 84 | 100.5 Ų | 100.5 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.9 | -69.2 | 163.4 | 0 | 0 | 0 | 111.4 | K315 T316 C322 R323 | K315-I319 WeakPolarHBondContact O-CD1 3.47Å; K315-I319 VanDerWaalsContact O-CG1 3.25Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 3.3Å; T316-I319 PolarHBondContact O-N 2.84Å; I319-C322 PolarHBondContact O-N 3.46Å; I319-R323 WeakPolarHBondContact O-CB 3.48Å; I319-R323 VanDerWaalsContact O-CG 3.29Å; I319-R323 WeakPolarHBondContact O-CG 3.43Å; I319-R323 PolarHBondContact O-N 3.07Å |
| 320 | E | 92.6 | Very high | 89.6 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.1 | -74.5 | 172.1 | -173.1 | 0 | 0 | 112 | T316 L317 E318 R323 G324 | T316-E320 WeakPolarHBondContact O-CG 3.18Å; T316-E320 PolarHBondContact O-N 3.08Å; L317-E320 PolarHBondContact O-N 2.86Å; E318-E320 PolarHBondContact O-N 3.13Å; E320-R323 PolarHBondContact O-N 2.89Å; E320-G324 PolarHBondContact O-N 3.35Å |
| 321 | A | 87.8 | Confident | 89.6 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L317 E318 G324 M325 | L317-A321 WeakPolarHBondContact O-CB 3.07Å; L317-A321 PolarHBondContact O-N 3.26Å; E318-A321 PolarHBondContact O-N 3.16Å; A321-G324 PolarHBondContact O-N 2.9Å; A321-M325 WeakPolarHBondContact O-CB 3.16Å; A321-M325 PolarHBondContact O-N 3.4Å |
| 322 | C | 83.1 | Confident | 89.5 | Confident | 72 Ų | 72 | 96 Ų | 96 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.3 | -70.4 | 0 | 0 | 0 | 0 | 112 | E318 I319 M325 N326 | E318-C322 WeakPolarHBondContact O-CB 3.37Å; E318-C322 PolarHBondContact O-N 2.87Å; E318-C322 PolarHBondContact O-SG 3.44Å; E318-C322 VanDerWaalsContact O-SG 3.36Å; I319-C322 PolarHBondContact O-N 3.46Å; C322-M325 PolarHBondContact O-N 2.82Å; C322-N326 PolarHBondContact O-N 3.44Å |
| 323 | R | 90.8 | Very high | 89.3 | Confident | 161 Ų | 161 | 95.5 Ų | 95.5 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 172.9 | -76.7 | 173.1 | 178.3 | 161.3 | 0.4 | 111.9 | I319 E320 M325 N326 E327 | I319-R323 WeakPolarHBondContact O-CB 3.48Å; I319-R323 VanDerWaalsContact O-CG 3.29Å; I319-R323 WeakPolarHBondContact O-CG 3.43Å; I319-R323 PolarHBondContact O-N 3.07Å; E320-R323 PolarHBondContact O-N 2.89Å; R323-M325 PolarHBondContact O-N 3.17Å; R323-N326 PolarHBondContact O-N 2.94Å; R323-E327 PolarHBondContact O-N 3.16Å |
| 324 | G | 89.4 | Confident | 89.4 | Confident | 39 Ų | 39 | 94.2 Ų | 94.2 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -30.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E320 A321 A328 | E320-G324 PolarHBondContact O-N 3.35Å; A321-G324 PolarHBondContact O-N 2.9Å; G324-A328 WeakPolarHBondContact O-CB 3.38Å; G324-A328 PolarHBondContact O-N 3.44Å |
| 325 | M | 87.9 | Confident | 89.7 | Confident | 127 Ų | 127 | 96.8 Ų | 96.8 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -74.8 | -41.3 | 173.9 | -175.6 | 148.4 | 150 | 0 | 0 | 112.3 | A321 C322 R323 A328 L329 | A321-M325 WeakPolarHBondContact O-CB 3.16Å; A321-M325 PolarHBondContact O-N 3.4Å; C322-M325 PolarHBondContact O-N 2.82Å; R323-M325 PolarHBondContact O-N 3.17Å; M325-A328 PolarHBondContact O-N 2.92Å; M325-L329 HydrophobicContact CG-CD1 4.37Å; M325-L329 WeakPolarHBondContact O-CG 3.29Å; M325-L329 PolarHBondContact O-N 3.46Å |
| 326 | N | 81.3 | Confident | 89.9 | Confident | 94 Ų | 94 | 96 Ų | 96 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.4 | -75.6 | 3.7 | 0 | 0 | 0 | 111.1 | C322 R323 A328 L329 E330 | C322-N326 PolarHBondContact O-N 3.44Å; R323-N326 PolarHBondContact O-N 2.94Å; N326-A328 PolarHBondContact O-N 3.36Å; N326-A328 VanDerWaalsContact O-N 3.16Å; N326-L329 PolarHBondContact O-N 3.02Å; N326-E330 WeakPolarHBondContact O-CB 3.32Å; N326-E330 WeakPolarHBondContact O-CG 3.32Å; N326-E330 PolarHBondContact O-N 3.43Å |
| 327 | E | 93.6 | Very high | 90 | Very high | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.6 | -32.7 | 175.1 | -79.8 | -171.6 | -142.3 | 0 | 0 | 113.1 | R323 K331 | R323-E327 PolarHBondContact O-N 3.16Å; E327-K331 WeakPolarHBondContact O-CB 3.33Å; E327-K331 WeakPolarHBondContact O-CD 3.3Å; E327-K331 WeakPolarHBondContact O-CG 3.42Å; E327-K331 PolarHBondContact O-N 3.32Å; E327-K331 VanDerWaalsContact O-N 3.16Å; E327-K331 IonicContact OE2-NZ 3.71Å; E327-K331 PolarHBondContact OE2-NZ 3.25Å |
| 328 | A | 90 | Very high | 90.1 | Very high | 44 Ų | 44 | 95.9 Ų | 95.9 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.7 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G324 M325 N326 Q332 | G324-A328 WeakPolarHBondContact O-CB 3.38Å; G324-A328 PolarHBondContact O-N 3.44Å; M325-A328 PolarHBondContact O-N 2.92Å; N326-A328 PolarHBondContact O-N 3.36Å; N326-A328 VanDerWaalsContact O-N 3.16Å; A328-Q332 WeakPolarHBondContact O-CG 3.34Å; A328-Q332 PolarHBondContact O-N 3.04Å |
| 329 | L | 83.7 | Confident | 90.3 | Very high | 91 Ų | 91 | 96.1 Ų | 96.1 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 174.8 | -70 | 170.1 | 0 | 0 | 0 | 111.6 | M325 N326 K331 Q332 L333 | M325-L329 HydrophobicContact CG-CD1 4.37Å; M325-L329 WeakPolarHBondContact O-CG 3.29Å; M325-L329 PolarHBondContact O-N 3.46Å; N326-L329 PolarHBondContact O-N 3.02Å; L329-K331 PolarHBondContact O-N 3.06Å; L329-Q332 WeakPolarHBondContact O-CB 3.49Å; L329-Q332 PolarHBondContact O-N 3.41Å; L329-Q332 VanDerWaalsContact O-N 3.16Å; L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 PolarHBondContact O-N 2.95Å |
| 330 | E | 89.4 | Confident | 90.5 | Very high | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 173.4 | -72.4 | 167.2 | -174 | 0 | 0 | 111.4 | N326 Q332 L333 Q334 | N326-E330 WeakPolarHBondContact O-CB 3.32Å; N326-E330 WeakPolarHBondContact O-CG 3.32Å; N326-E330 PolarHBondContact O-N 3.43Å; E330-Q332 VanDerWaalsContact C-N 3.35Å; E330-Q332 PolarHBondContact O-N 3.45Å; E330-L333 PolarHBondContact O-N 3.35Å; E330-Q334 PolarHBondContact O-N 3.01Å |
| 331 | K | 93.7 | Very high | 90.6 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 174.1 | -73.6 | 162.4 | -165.3 | 145.7 | 0 | 112.1 | E327 L329 E335 | E327-K331 WeakPolarHBondContact O-CB 3.33Å; E327-K331 WeakPolarHBondContact O-CD 3.3Å; E327-K331 WeakPolarHBondContact O-CG 3.42Å; E327-K331 PolarHBondContact O-N 3.32Å; E327-K331 VanDerWaalsContact O-N 3.16Å; E327-K331 IonicContact OE2-NZ 3.71Å; E327-K331 PolarHBondContact OE2-NZ 3.25Å; L329-K331 PolarHBondContact O-N 3.06Å; K331-E335 VanDerWaalsContact O-CB 3.22Å; K331-E335 WeakPolarHBondContact O-CB 3.08Å; K331-E335 WeakPolarHBondContact O-CG 3.09Å; K331-E335 PolarHBondContact O-N 3.5Å |
| 332 | Q | 92.3 | Very high | 90.9 | Very high | 116 Ų | 116 | 97.1 Ų | 97.1 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 175.3 | -77.2 | 179.1 | -7.3 | 0 | 0 | 112.7 | A328 L329 E330 E335 L336 | A328-Q332 WeakPolarHBondContact O-CG 3.34Å; A328-Q332 PolarHBondContact O-N 3.04Å; L329-Q332 WeakPolarHBondContact O-CB 3.49Å; L329-Q332 PolarHBondContact O-N 3.41Å; L329-Q332 VanDerWaalsContact O-N 3.16Å; E330-Q332 VanDerWaalsContact C-N 3.35Å; E330-Q332 PolarHBondContact O-N 3.45Å; Q332-E335 PolarHBondContact O-N 3.39Å; Q332-L336 VanDerWaalsContact O-CG 3.29Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 3.03Å |
| 333 | L | 86.8 | Confident | 91.4 | Very high | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -53.4 | 175 | -171.4 | 112.7 | 0 | 0 | 0 | 110.5 | L329 E330 E335 L336 E337 | L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 PolarHBondContact O-N 2.95Å; E330-L333 PolarHBondContact O-N 3.35Å; L333-E335 VanDerWaalsContact C-N 3.28Å; L333-E335 PolarHBondContact O-N 3.44Å; L333-L336 WeakPolarHBondContact O-CA 3.49Å; L333-L336 WeakPolarHBondContact O-CB 3.43Å; L333-L336 PolarHBondContact O-N 2.95Å; L333-E337 WeakPolarHBondContact CD2-OE1 3.34Å; L333-E337 WeakPolarHBondContact O-CG 3.47Å; L333-E337 PolarHBondContact O-N 3.16Å |
| 334 | Q | 95.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 94.8 Ų | 94.8 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 175.4 | -173.8 | 67.8 | 63.8 | 0 | 0 | 111.6 | E330 L336 E337 D338 | E330-Q334 PolarHBondContact O-N 3.01Å; Q334-L336 PolarHBondContact O-N 3.47Å; Q334-E337 PolarHBondContact O-N 2.83Å; Q334-D338 PolarHBondContact NE2-OD1 3.32Å; Q334-D338 WeakPolarHBondContact O-CB 3.47Å; Q334-D338 PolarHBondContact O-N 2.91Å |
| 335 | E | 94.8 | Very high | 92 | Very high | 107 Ų | 107 | 96 Ų | 96 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -26.5 | 175.6 | -95.8 | -162.5 | -135.9 | 0 | 0 | 114.1 | K331 Q332 L333 K339 | K331-E335 VanDerWaalsContact O-CB 3.22Å; K331-E335 WeakPolarHBondContact O-CB 3.08Å; K331-E335 WeakPolarHBondContact O-CG 3.09Å; K331-E335 PolarHBondContact O-N 3.5Å; Q332-E335 PolarHBondContact O-N 3.39Å; L333-E335 VanDerWaalsContact C-N 3.28Å; L333-E335 PolarHBondContact O-N 3.44Å; E335-K339 WeakPolarHBondContact O-CD 3.28Å; E335-K339 WeakPolarHBondContact O-CE 3.23Å; E335-K339 WeakPolarHBondContact O-CG 3.24Å; E335-K339 PolarHBondContact O-NZ 3.45Å; E335-K339 IonicContact OE2-NZ 3.68Å; E335-K339 PolarHBondContact OE2-NZ 2.94Å |
| 336 | L | 91.7 | Very high | 92.5 | Very high | 99 Ų | 99 | 92.5 Ų | 92.5 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -83.3 | -42.2 | 175.6 | -75.7 | 169.4 | 0 | 0 | 0 | 110.8 | Q332 L333 Q334 K339 Q340 | Q332-L336 VanDerWaalsContact O-CG 3.29Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 3.03Å; L333-L336 WeakPolarHBondContact O-CA 3.49Å; L333-L336 WeakPolarHBondContact O-CB 3.43Å; L333-L336 PolarHBondContact O-N 2.95Å; Q334-L336 PolarHBondContact O-N 3.47Å; L336-K339 PolarHBondContact O-N 3.05Å; L336-Q340 WeakPolarHBondContact O-CG 3.35Å; L336-Q340 PolarHBondContact O-N 3.36Å |
| 337 | E | 91.2 | Very high | 93.1 | Very high | 80 Ų | 80 | 93.2 Ų | 93.2 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.2 | -69.5 | 177.1 | 168.7 | 0 | 0 | 111.1 | L333 Q334 K339 Q340 N341 | L333-E337 WeakPolarHBondContact CD2-OE1 3.34Å; L333-E337 WeakPolarHBondContact O-CG 3.47Å; L333-E337 PolarHBondContact O-N 3.16Å; Q334-E337 PolarHBondContact O-N 2.83Å; E337-K339 VanDerWaalsContact C-N 3.31Å; E337-K339 PolarHBondContact O-N 2.89Å; E337-Q340 PolarHBondContact O-N 3.41Å; E337-N341 VanDerWaalsContact O-CB 3.3Å; E337-N341 WeakPolarHBondContact O-CB 3.36Å; E337-N341 VanDerWaalsContact O-CG 3.23Å; E337-N341 PolarHBondContact O-N 3.14Å; E337-N341 PolarHBondContact O-ND2 3.19Å |
| 338 | D | 94.9 | Very high | 93.3 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 176.6 | -72.9 | -5.4 | 0 | 0 | 0 | 112.1 | Q334 A342 | Q334-D338 PolarHBondContact NE2-OD1 3.32Å; Q334-D338 WeakPolarHBondContact O-CB 3.47Å; Q334-D338 PolarHBondContact O-N 2.91Å; D338-A342 WeakPolarHBondContact O-CB 3.48Å; D338-A342 PolarHBondContact O-N 2.76Å |
| 339 | K | 95.9 | Very high | 93.7 | Very high | 103 Ų | 103 | 95.5 Ų | 95.5 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 175.7 | -72.3 | 163.1 | -161.4 | 136.6 | 0 | 111.3 | E335 L336 E337 A342 D343 | E335-K339 WeakPolarHBondContact O-CD 3.28Å; E335-K339 WeakPolarHBondContact O-CE 3.23Å; E335-K339 WeakPolarHBondContact O-CG 3.24Å; E335-K339 PolarHBondContact O-NZ 3.45Å; E335-K339 IonicContact OE2-NZ 3.68Å; E335-K339 PolarHBondContact OE2-NZ 2.94Å; L336-K339 PolarHBondContact O-N 3.05Å; E337-K339 VanDerWaalsContact C-N 3.31Å; E337-K339 PolarHBondContact O-N 2.89Å; K339-A342 WeakPolarHBondContact O-CB 3.41Å; K339-A342 PolarHBondContact O-N 3.31Å; K339-D343 PolarHBondContact O-N 3.36Å |
| 340 | Q | 93.6 | Very high | 94.3 | Very high | 120 Ų | 120 | 94.7 Ų | 94.7 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 176.5 | -73.2 | 176.8 | -6.3 | 0 | 0 | 111.6 | L336 E337 A342 D343 I344 | L336-Q340 WeakPolarHBondContact O-CG 3.35Å; L336-Q340 PolarHBondContact O-N 3.36Å; E337-Q340 PolarHBondContact O-N 3.41Å; Q340-A342 VanDerWaalsContact C-N 3.32Å; Q340-A342 PolarHBondContact O-N 2.7Å; Q340-D343 PolarHBondContact O-N 2.88Å; Q340-I344 WeakPolarHBondContact O-CB 3.4Å; Q340-I344 VanDerWaalsContact O-CG1 3.23Å; Q340-I344 WeakPolarHBondContact O-CG1 3.42Å; Q340-I344 PolarHBondContact O-N 3.48Å |
| 341 | N | 95.3 | Very high | 94.7 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 174.5 | -75.3 | -38.3 | 0 | 0 | 0 | 111.9 | E337 S345 | E337-N341 VanDerWaalsContact O-CB 3.3Å; E337-N341 WeakPolarHBondContact O-CB 3.36Å; E337-N341 VanDerWaalsContact O-CG 3.23Å; E337-N341 PolarHBondContact O-N 3.14Å; E337-N341 PolarHBondContact O-ND2 3.19Å; N341-S345 VanDerWaalsContact O-CB 3.25Å; N341-S345 WeakPolarHBondContact O-CB 3.4Å; N341-S345 PolarHBondContact O-N 3.05Å |
| 342 | A | 95.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 91.2 Ų | 91.2 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D338 K339 Q340 S345 A346 | D338-A342 WeakPolarHBondContact O-CB 3.48Å; D338-A342 PolarHBondContact O-N 2.76Å; K339-A342 WeakPolarHBondContact O-CB 3.41Å; K339-A342 PolarHBondContact O-N 3.31Å; Q340-A342 VanDerWaalsContact C-N 3.32Å; Q340-A342 PolarHBondContact O-N 2.7Å; A342-S345 PolarHBondContact O-N 3.17Å; A342-A346 WeakPolarHBondContact O-CB 3.5Å; A342-A346 PolarHBondContact O-N 2.94Å |
| 343 | D | 93.8 | Very high | 95.2 | Very high | 106 Ų | 106 | 90.8 Ų | 90.8 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.9 | -40.9 | 176.9 | -75.4 | -21.5 | 0 | 0 | 0 | 112 | K339 Q340 A346 M347 | K339-D343 PolarHBondContact O-N 3.36Å; Q340-D343 PolarHBondContact O-N 2.88Å; D343-A346 PolarHBondContact O-N 3.18Å; D343-M347 WeakPolarHBondContact O-CG 3.28Å; D343-M347 PolarHBondContact O-N 2.95Å |
| 344 | I | 95.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 91.2 Ų | 91.2 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 172.8 | -70.6 | 164.4 | 0 | 0 | 0 | 110.1 | Q340 A346 M347 Q348 | Q340-I344 WeakPolarHBondContact O-CB 3.4Å; Q340-I344 VanDerWaalsContact O-CG1 3.23Å; Q340-I344 WeakPolarHBondContact O-CG1 3.42Å; Q340-I344 PolarHBondContact O-N 3.48Å; I344-A346 PolarHBondContact O-N 3.14Å; I344-M347 HydrophobicContact CG1-CE 4.37Å; I344-M347 PolarHBondContact O-N 2.99Å; I344-Q348 HydrophobicContact CG2-CG 4.48Å; I344-Q348 WeakPolarHBondContact O-CG 3.04Å; I344-Q348 PolarHBondContact O-N 3.33Å |
| 345 | S | 97.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 90.2 Ų | 90.2 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | N341 A342 M347 Q348 D349 | N341-S345 VanDerWaalsContact O-CB 3.25Å; N341-S345 WeakPolarHBondContact O-CB 3.4Å; N341-S345 PolarHBondContact O-N 3.05Å; A342-S345 PolarHBondContact O-N 3.17Å; S345-M347 VanDerWaalsContact C-N 3.34Å; S345-M347 PolarHBondContact O-N 2.7Å; S345-Q348 PolarHBondContact O-N 3.08Å; S345-D349 WeakPolarHBondContact O-CB 3.38Å; S345-D349 PolarHBondContact O-N 3.13Å |
| 346 | A | 97.3 | Very high | 96 | Very high | 52 Ų | 52 | 89 Ų | 89 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A342 D343 I344 D349 T350 | A342-A346 WeakPolarHBondContact O-CB 3.5Å; A342-A346 PolarHBondContact O-N 2.94Å; D343-A346 PolarHBondContact O-N 3.18Å; I344-A346 PolarHBondContact O-N 3.14Å; A346-D349 WeakPolarHBondContact O-CB 3.33Å; A346-D349 PolarHBondContact O-N 2.95Å; A346-T350 WeakPolarHBondContact O-CG2 3.42Å; A346-T350 PolarHBondContact O-N 2.91Å |
| 347 | M | 94.1 | Very high | 96.3 | Very high | 110 Ų | 110 | 90 Ų | 90 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 173.9 | -74 | -172.1 | -70.7 | 0 | 0 | 111.9 | D343 I344 S345 D349 T350 I351 | D343-M347 WeakPolarHBondContact O-CG 3.28Å; D343-M347 PolarHBondContact O-N 2.95Å; I344-M347 HydrophobicContact CG1-CE 4.37Å; I344-M347 PolarHBondContact O-N 2.99Å; S345-M347 VanDerWaalsContact C-N 3.34Å; S345-M347 PolarHBondContact O-N 2.7Å; M347-D349 PolarHBondContact O-N 3.05Å; M347-T350 PolarHBondContact O-N 2.79Å; M347-T350 PolarHBondContact O-OG1 2.94Å; M347-I351 WeakPolarHBondContact O-CG1 3.22Å; M347-I351 PolarHBondContact O-N 3.45Å |
| 348 | Q | 97.6 | Very high | 96.6 | Very high | 111 Ų | 111 | 90.6 Ų | 90.6 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.8 | -40.5 | 172.5 | -70.8 | 173.3 | -3.6 | 0 | 0 | 111.3 | I344 S345 T350 I351 N352 | I344-Q348 HydrophobicContact CG2-CG 4.48Å; I344-Q348 WeakPolarHBondContact O-CG 3.04Å; I344-Q348 PolarHBondContact O-N 3.33Å; S345-Q348 PolarHBondContact O-N 3.08Å; Q348-T350 VanDerWaalsContact C-N 3.34Å; Q348-T350 PolarHBondContact O-N 3.38Å; Q348-I351 PolarHBondContact O-N 3.21Å; Q348-N352 WeakPolarHBondContact O-CB 3.41Å; Q348-N352 VanDerWaalsContact O-CG 3.23Å; Q348-N352 PolarHBondContact O-N 3.18Å; Q348-N352 PolarHBondContact O-ND2 3.01Å; Q348-N352 VanDerWaalsContact O-ND2 3.16Å |
| 349 | D | 98.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 93 Ų | 93 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 175.8 | -128.3 | 38.2 | 0 | 0 | 0 | 113.1 | S345 A346 M347 K353 | S345-D349 WeakPolarHBondContact O-CB 3.38Å; S345-D349 PolarHBondContact O-N 3.13Å; A346-D349 WeakPolarHBondContact O-CB 3.33Å; A346-D349 PolarHBondContact O-N 2.95Å; M347-D349 PolarHBondContact O-N 3.05Å; D349-K353 WeakPolarHBondContact O-CD 3.49Å; D349-K353 WeakPolarHBondContact O-CE 3.37Å; D349-K353 WeakPolarHBondContact O-CG 3.21Å; D349-K353 PolarHBondContact O-N 3.25Å; D349-K353 IonicContact OD2-NZ 2.71Å; D349-K353 PolarHBondContact OD2-NZ 3.14Å |
| 350 | T | 97.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 91.4 Ų | 91.4 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75 | -37.3 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | A346 M347 Q348 K353 L354 | A346-T350 WeakPolarHBondContact O-CG2 3.42Å; A346-T350 PolarHBondContact O-N 2.91Å; M347-T350 PolarHBondContact O-N 2.79Å; M347-T350 PolarHBondContact O-OG1 2.94Å; Q348-T350 VanDerWaalsContact C-N 3.34Å; Q348-T350 PolarHBondContact O-N 3.38Å; T350-K353 PolarHBondContact O-N 3.33Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 3.46Å |
| 351 | I | 96.9 | Very high | 97 | Very high | 91 Ų | 91 | 89 Ų | 89 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -51.7 | 171.4 | -67.5 | 164.7 | 0 | 0 | 0 | 109.8 | M347 Q348 K353 L354 E355 | M347-I351 WeakPolarHBondContact O-CG1 3.22Å; M347-I351 PolarHBondContact O-N 3.45Å; Q348-I351 PolarHBondContact O-N 3.21Å; I351-K353 VanDerWaalsContact C-N 3.29Å; I351-K353 PolarHBondContact O-N 2.82Å; I351-L354 PolarHBondContact O-N 2.91Å; I351-L354 VanDerWaalsContact O-N 3.13Å; I351-E355 HydrophobicContact CG2-CG 4.28Å; I351-E355 WeakPolarHBondContact O-CG 3.35Å; I351-E355 PolarHBondContact O-N 2.84Å |
| 352 | N | 98.1 | Very high | 97.2 | Very high | 78 Ų | 78 | 90.5 Ų | 90.5 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56 | -40.2 | 177.9 | -74.6 | -33.1 | 0 | 0 | 0 | 112.7 | Q348 N356 | Q348-N352 WeakPolarHBondContact O-CB 3.41Å; Q348-N352 VanDerWaalsContact O-CG 3.23Å; Q348-N352 PolarHBondContact O-N 3.18Å; Q348-N352 PolarHBondContact O-ND2 3.01Å; Q348-N352 VanDerWaalsContact O-ND2 3.16Å; N352-N356 WeakPolarHBondContact O-CB 3.47Å; N352-N356 PolarHBondContact O-N 3.32Å; N352-N356 VanDerWaalsContact O-N 3.08Å; N352-N356 PolarHBondContact O-ND2 3.39Å |
| 353 | K | 98.2 | Very high | 97.3 | Very high | 108 Ų | 108 | 91 Ų | 91 | 47% | 0.47 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.9 | -50.1 | 175.4 | -72.4 | 158 | -163.3 | 150 | 0 | 111.3 | D349 T350 I351 E355 N356 E357 | D349-K353 WeakPolarHBondContact O-CD 3.49Å; D349-K353 WeakPolarHBondContact O-CE 3.37Å; D349-K353 WeakPolarHBondContact O-CG 3.21Å; D349-K353 PolarHBondContact O-N 3.25Å; D349-K353 IonicContact OD2-NZ 2.71Å; D349-K353 PolarHBondContact OD2-NZ 3.14Å; T350-K353 PolarHBondContact O-N 3.33Å; I351-K353 VanDerWaalsContact C-N 3.29Å; I351-K353 PolarHBondContact O-N 2.82Å; K353-E355 PolarHBondContact O-N 3.11Å; K353-N356 PolarHBondContact O-N 3.11Å; K353-N356 VanDerWaalsContact O-N 3.14Å; K353-E357 WeakPolarHBondContact O-CG 3.45Å; K353-E357 PolarHBondContact O-N 3.33Å |
| 354 | L | 97.6 | Very high | 97.5 | Very high | 111 Ų | 111 | 90 Ų | 90 | 58% | 0.581 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 179.2 | -69.5 | 172.1 | 0 | 0 | 0 | 112.7 | T350 I351 N356 E357 L358 | T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 3.46Å; I351-L354 PolarHBondContact O-N 2.91Å; I351-L354 VanDerWaalsContact O-N 3.13Å; L354-N356 VanDerWaalsContact C-N 3.32Å; L354-N356 PolarHBondContact O-N 2.9Å; L354-E357 PolarHBondContact O-N 2.91Å; L354-L358 WeakPolarHBondContact O-CB 3.48Å; L354-L358 PolarHBondContact O-N 3.49Å |
| 355 | E | 97.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 173.4 | -69.7 | -165.8 | 164.1 | 0 | 0 | 112.2 | I351 K353 L358 R359 | I351-E355 HydrophobicContact CG2-CG 4.28Å; I351-E355 WeakPolarHBondContact O-CG 3.35Å; I351-E355 PolarHBondContact O-N 2.84Å; K353-E355 PolarHBondContact O-N 3.11Å; E355-L358 WeakPolarHBondContact O-CB 3.41Å; E355-L358 PolarHBondContact O-N 3.32Å; E355-R359 VanDerWaalsContact CB-NH1 3.29Å; E355-R359 WeakPolarHBondContact O-CB 3.47Å; E355-R359 VanDerWaalsContact O-CG 3.31Å; E355-R359 WeakPolarHBondContact O-CG 3.4Å; E355-R359 PolarHBondContact O-N 3.36Å; E355-R359 IonicContact OE2-CZ 2.73Å; E355-R359 VanDerWaalsContact OE2-CZ 3.24Å; E355-R359 IonicContact OE2-NH1 3.64Å; E355-R359 PolarHBondContact OE2-NH1 2.91Å; E355-R359 IonicContact OE2-NH2 2.67Å; E355-R359 PolarHBondContact OE2-NH2 2.96Å |
| 356 | N | 97.9 | Very high | 97.6 | Very high | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.6 | -36.6 | 179.1 | -72.4 | -24.3 | 0 | 0 | 0 | 112.1 | N352 K353 L354 L358 R359 T360 | N352-N356 WeakPolarHBondContact O-CB 3.47Å; N352-N356 PolarHBondContact O-N 3.32Å; N352-N356 VanDerWaalsContact O-N 3.08Å; N352-N356 PolarHBondContact O-ND2 3.39Å; K353-N356 PolarHBondContact O-N 3.11Å; K353-N356 VanDerWaalsContact O-N 3.14Å; L354-N356 VanDerWaalsContact C-N 3.32Å; L354-N356 PolarHBondContact O-N 2.9Å; N356-L358 VanDerWaalsContact C-N 3.35Å; N356-R359 PolarHBondContact O-N 3.27Å; N356-R359 PolarHBondContact OD1-NH1 3.49Å; N356-T360 WeakPolarHBondContact O-CB 3.17Å; N356-T360 PolarHBondContact O-N 3.43Å; N356-T360 PolarHBondContact O-OG1 3.33Å |
| 357 | E | 98.1 | Very high | 97.6 | Very high | 120 Ų | 120 | 94.9 Ų | 94.9 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 167.7 | -71.1 | 175.1 | -169.6 | 0 | 0 | 111.3 | K353 L354 T360 T361 | K353-E357 WeakPolarHBondContact O-CG 3.45Å; K353-E357 PolarHBondContact O-N 3.33Å; L354-E357 PolarHBondContact O-N 2.91Å; E357-T360 PolarHBondContact O-N 3.22Å; E357-T361 WeakPolarHBondContact O-CB 3.48Å; E357-T361 WeakPolarHBondContact O-CG2 3.35Å; E357-T361 PolarHBondContact O-N 2.86Å; E357-T361 PolarHBondContact O-OG1 3.39Å |
| 358 | L | 97.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 95.1 Ų | 95.1 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 175.6 | -175.9 | 65.7 | 0 | 0 | 0 | 112.5 | L354 E355 N356 T361 K362 | L354-L358 WeakPolarHBondContact O-CB 3.48Å; L354-L358 PolarHBondContact O-N 3.49Å; E355-L358 WeakPolarHBondContact O-CB 3.41Å; E355-L358 PolarHBondContact O-N 3.32Å; N356-L358 VanDerWaalsContact C-N 3.35Å; L358-T361 WeakPolarHBondContact CA-OG1 3.5Å; L358-T361 PolarHBondContact O-OG1 2.87Å; L358-K362 HydrophobicContact CG-CD 4.28Å; L358-K362 VanDerWaalsContact O-CB 3.31Å; L358-K362 WeakPolarHBondContact O-CB 3.46Å; L358-K362 WeakPolarHBondContact O-CD 3.4Å; L358-K362 WeakPolarHBondContact O-CG 3.44Å; L358-K362 PolarHBondContact O-N 3.18Å |
| 359 | R | 98.1 | Very high | 97.8 | Very high | 138 Ų | 138 | 95.4 Ų | 95.4 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 173.5 | -73.5 | 173.6 | -173.3 | 107.5 | 12 | 111 | E355 N356 S363 | E355-R359 VanDerWaalsContact CB-NH1 3.29Å; E355-R359 WeakPolarHBondContact O-CB 3.47Å; E355-R359 VanDerWaalsContact O-CG 3.31Å; E355-R359 WeakPolarHBondContact O-CG 3.4Å; E355-R359 PolarHBondContact O-N 3.36Å; E355-R359 IonicContact OE2-CZ 2.73Å; E355-R359 VanDerWaalsContact OE2-CZ 3.24Å; E355-R359 IonicContact OE2-NH1 3.64Å; E355-R359 PolarHBondContact OE2-NH1 2.91Å; E355-R359 IonicContact OE2-NH2 2.67Å; E355-R359 PolarHBondContact OE2-NH2 2.96Å; N356-R359 PolarHBondContact O-N 3.27Å; N356-R359 PolarHBondContact OD1-NH1 3.49Å; R359-S363 PolarHBondContact O-N 2.86Å |
| 360 | T | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 98.2 Ų | 98.2 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -54.3 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | N356 E357 K362 S363 E364 | N356-T360 WeakPolarHBondContact O-CB 3.17Å; N356-T360 PolarHBondContact O-N 3.43Å; N356-T360 PolarHBondContact O-OG1 3.33Å; E357-T360 PolarHBondContact O-N 3.22Å; T360-K362 VanDerWaalsContact C-N 3.34Å; T360-K362 PolarHBondContact O-N 2.94Å; T360-S363 WeakPolarHBondContact O-CA 3.47Å; T360-S363 WeakPolarHBondContact O-CB 3.36Å; T360-S363 PolarHBondContact O-N 3.23Å; T360-S363 PolarHBondContact O-OG 3Å; T360-E364 WeakPolarHBondContact O-CG 3.47Å; T360-E364 PolarHBondContact O-N 3.07Å |
| 361 | T | 97.3 | Very high | 97.7 | Very high | 71 Ų | 71 | 99 Ų | 99 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 179 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | E357 L358 E364 M365 | E357-T361 WeakPolarHBondContact O-CB 3.48Å; E357-T361 WeakPolarHBondContact O-CG2 3.35Å; E357-T361 PolarHBondContact O-N 2.86Å; E357-T361 PolarHBondContact O-OG1 3.39Å; L358-T361 WeakPolarHBondContact CA-OG1 3.5Å; L358-T361 PolarHBondContact O-OG1 2.87Å; T361-E364 PolarHBondContact O-N 3.23Å; T361-M365 WeakPolarHBondContact O-CB 3.38Å; T361-M365 PolarHBondContact O-N 3.1Å |
| 362 | K | 98.2 | Very high | 97.8 | Very high | 128 Ų | 128 | 102.3 Ų | 102.3 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 168.3 | -76.9 | 172.7 | 178.7 | 178 | 0 | 112.2 | L358 T360 M365 A366 | L358-K362 HydrophobicContact CG-CD 4.28Å; L358-K362 VanDerWaalsContact O-CB 3.31Å; L358-K362 WeakPolarHBondContact O-CB 3.46Å; L358-K362 WeakPolarHBondContact O-CD 3.4Å; L358-K362 WeakPolarHBondContact O-CG 3.44Å; L358-K362 PolarHBondContact O-N 3.18Å; T360-K362 VanDerWaalsContact C-N 3.34Å; T360-K362 PolarHBondContact O-N 2.94Å; K362-M365 PolarHBondContact O-N 3.45Å; K362-A366 PolarHBondContact O-N 3.15Å |
| 363 | S | 97.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 103.1 Ų | 103.1 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 178.1 | 81.1 | 0 | 0 | 0 | 0 | 112.4 | R359 T360 A366 R367 | R359-S363 PolarHBondContact O-N 2.86Å; T360-S363 WeakPolarHBondContact O-CA 3.47Å; T360-S363 WeakPolarHBondContact O-CB 3.36Å; T360-S363 PolarHBondContact O-N 3.23Å; T360-S363 PolarHBondContact O-OG 3Å; S363-A366 PolarHBondContact O-N 2.64Å; S363-R367 PolarHBondContact O-N 2.9Å |
| 364 | E | 98 | Very high | 97.7 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 174 | -68.4 | 175.9 | 158.5 | 0 | 0 | 111.7 | T360 T361 A366 R367 Y368 | T360-E364 WeakPolarHBondContact O-CG 3.47Å; T360-E364 PolarHBondContact O-N 3.07Å; T361-E364 PolarHBondContact O-N 3.23Å; E364-A366 VanDerWaalsContact C-N 3.34Å; E364-A366 PolarHBondContact O-N 3.21Å; E364-R367 WeakPolarHBondContact O-CB 3.18Å; E364-R367 PolarHBondContact O-N 3.38Å; E364-R367 VanDerWaalsContact O-N 3.17Å; E364-Y368 HydrophobicContact CB-CE2 4.29Å; E364-Y368 WeakPolarHBondContact O-CD2 3.28Å; E364-Y368 PolarHBondContact O-N 3.46Å |
| 365 | M | 97.5 | Very high | 97.7 | Very high | 124 Ų | 124 | 101.9 Ų | 101.9 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.7 | -43.1 | 174.3 | -172.1 | -179.2 | -62.7 | 0 | 0 | 111.8 | T361 K362 R367 Y368 L369 | T361-M365 WeakPolarHBondContact O-CB 3.38Å; T361-M365 PolarHBondContact O-N 3.1Å; K362-M365 PolarHBondContact O-N 3.45Å; M365-R367 VanDerWaalsContact C-N 3.35Å; M365-R367 PolarHBondContact O-N 3.11Å; M365-Y368 PolarHBondContact O-N 2.73Å; M365-L369 WeakPolarHBondContact O-CG 3.43Å; M365-L369 PolarHBondContact O-N 2.87Å |
| 366 | A | 97.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K362 S363 E364 K370 | K362-A366 PolarHBondContact O-N 3.15Å; S363-A366 PolarHBondContact O-N 2.64Å; E364-A366 VanDerWaalsContact C-N 3.34Å; E364-A366 PolarHBondContact O-N 3.21Å; A366-K370 PolarHBondContact O-N 3.36Å; A366-K370 VanDerWaalsContact O-N 3.14Å |
| 367 | R | 97.9 | Very high | 97.6 | Very high | 113 Ų | 113 | 101.8 Ų | 101.8 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 173 | -176 | -176.6 | 65.8 | 84 | 4.7 | 111.5 | S363 E364 M365 L369 K370 E371 | S363-R367 PolarHBondContact O-N 2.9Å; E364-R367 WeakPolarHBondContact O-CB 3.18Å; E364-R367 PolarHBondContact O-N 3.38Å; E364-R367 VanDerWaalsContact O-N 3.17Å; M365-R367 VanDerWaalsContact C-N 3.35Å; M365-R367 PolarHBondContact O-N 3.11Å; R367-L369 PolarHBondContact O-N 2.94Å; R367-K370 WeakPolarHBondContact O-CB 3.33Å; R367-K370 PolarHBondContact O-N 2.92Å; R367-E371 WeakPolarHBondContact CG-OE1 3.41Å; R367-E371 IonicContact CZ-OE1 3.46Å; R367-E371 IonicContact CZ-OE2 3.24Å; R367-E371 IonicContact NE-OE1 2.67Å; R367-E371 IonicContact NH1-OE1 3.77Å; R367-E371 PolarHBondContact NH1-OE1 3.32Å; R367-E371 IonicContact NH1-OE2 3.85Å; R367-E371 PolarHBondContact NH1-OE2 3.14Å; R367-E371 WeakPolarHBondContact O-CG 3.36Å; R367-E371 PolarHBondContact O-N 2.85Å |
| 368 | Y | 97.6 | Very high | 97.6 | Very high | 116 Ų | 116 | 100 Ų | 100 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.8 | -71.5 | -54.8 | 0 | 0 | 0 | 112 | E364 M365 K370 E371 Y372 | E364-Y368 HydrophobicContact CB-CE2 4.29Å; E364-Y368 WeakPolarHBondContact O-CD2 3.28Å; E364-Y368 PolarHBondContact O-N 3.46Å; M365-Y368 PolarHBondContact O-N 2.73Å; Y368-K370 VanDerWaalsContact C-N 3.29Å; Y368-K370 PolarHBondContact O-N 3.36Å; Y368-E371 PolarHBondContact O-N 2.65Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.31Å; Y368-Y372 PolarHBondContact O-N 3.39Å |
| 369 | L | 97.6 | Very high | 97.5 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.8 | -41.2 | 175.6 | -75.3 | 169.7 | 0 | 0 | 0 | 112.1 | M365 R367 Q373 | M365-L369 WeakPolarHBondContact O-CG 3.43Å; M365-L369 PolarHBondContact O-N 2.87Å; R367-L369 PolarHBondContact O-N 2.94Å; L369-Q373 PolarHBondContact O-N 3.48Å |
| 370 | K | 97.5 | Very high | 97.5 | Very high | 138 Ų | 138 | 99.1 Ų | 99.1 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -46.4 | 174.4 | -173.3 | 179.8 | 176.9 | -177.2 | 0 | 112 | A366 R367 Y368 Y372 Q373 D374 | A366-K370 PolarHBondContact O-N 3.36Å; A366-K370 VanDerWaalsContact O-N 3.14Å; R367-K370 WeakPolarHBondContact O-CB 3.33Å; R367-K370 PolarHBondContact O-N 2.92Å; Y368-K370 VanDerWaalsContact C-N 3.29Å; Y368-K370 PolarHBondContact O-N 3.36Å; K370-Y372 VanDerWaalsContact C-N 3.31Å; K370-Y372 PolarHBondContact O-N 2.99Å; K370-Q373 PolarHBondContact O-N 3.14Å; K370-Q373 VanDerWaalsContact O-N 3.1Å; K370-D374 PolarHBondContact O-N 3.02Å |
| 371 | E | 97.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 98 Ų | 98 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 178.5 | -73.7 | 169.9 | -173.1 | 0 | 0 | 112.3 | R367 Y368 L375 | R367-E371 WeakPolarHBondContact CG-OE1 3.41Å; R367-E371 IonicContact CZ-OE1 3.46Å; R367-E371 IonicContact CZ-OE2 3.24Å; R367-E371 IonicContact NE-OE1 2.67Å; R367-E371 IonicContact NH1-OE1 3.77Å; R367-E371 PolarHBondContact NH1-OE1 3.32Å; R367-E371 IonicContact NH1-OE2 3.85Å; R367-E371 PolarHBondContact NH1-OE2 3.14Å; R367-E371 WeakPolarHBondContact O-CG 3.36Å; R367-E371 PolarHBondContact O-N 2.85Å; Y368-E371 PolarHBondContact O-N 2.65Å; E371-L375 WeakPolarHBondContact O-CB 3.45Å; E371-L375 PolarHBondContact O-N 2.86Å |
| 372 | Y | 97.7 | Very high | 97.4 | Very high | 162 Ų | 162 | 98.7 Ų | 98.7 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 171.4 | -78 | -60.9 | 0 | 0 | 0 | 112.6 | Y368 K370 L375 L376 | Y368-Y372 WeakPolarHBondContact O-CD2 3.31Å; Y368-Y372 PolarHBondContact O-N 3.39Å; K370-Y372 VanDerWaalsContact C-N 3.31Å; K370-Y372 PolarHBondContact O-N 2.99Å; Y372-L375 PolarHBondContact O-N 2.81Å; Y372-L376 WeakPolarHBondContact O-CB 3.25Å; Y372-L376 PolarHBondContact O-N 2.92Å |
| 373 | Q | 97.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 96 Ų | 96 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 175.9 | -175.4 | 60.6 | 54.8 | 0 | 0 | 111.7 | L369 K370 L376 N377 | L369-Q373 PolarHBondContact O-N 3.48Å; K370-Q373 PolarHBondContact O-N 3.14Å; K370-Q373 VanDerWaalsContact O-N 3.1Å; Q373-L376 WeakPolarHBondContact O-CB 3.18Å; Q373-L376 PolarHBondContact O-N 3.45Å; Q373-N377 PolarHBondContact NE2-OD1 2.87Å; Q373-N377 PolarHBondContact O-N 3.27Å; Q373-N377 PolarHBondContact O-ND2 2.87Å; Q373-N377 PolarHBondContact O-OD1 3.36Å |
| 374 | D | 97.1 | Very high | 97.2 | Very high | 80 Ų | 80 | 98.2 Ų | 98.2 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 177.2 | -71.6 | -25.6 | 0 | 0 | 0 | 111.1 | K370 N377 V378 | K370-D374 PolarHBondContact O-N 3.02Å; D374-N377 WeakPolarHBondContact O-CB 3.49Å; D374-N377 PolarHBondContact O-N 2.81Å; D374-V378 WeakPolarHBondContact O-CG2 3.4Å; D374-V378 PolarHBondContact O-N 3.33Å; D374-V378 VanDerWaalsContact O-N 3.07Å |
| 375 | L | 97.4 | Very high | 97.1 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.3 | -39 | 173.4 | -177.6 | 61.7 | 0 | 0 | 0 | 112.6 | E371 Y372 N377 V378 K379 | E371-L375 WeakPolarHBondContact O-CB 3.45Å; E371-L375 PolarHBondContact O-N 2.86Å; Y372-L375 PolarHBondContact O-N 2.81Å; L375-N377 VanDerWaalsContact C-N 3.35Å; L375-V378 PolarHBondContact O-N 3.36Å; L375-K379 WeakPolarHBondContact O-CB 3.25Å; L375-K379 PolarHBondContact O-N 2.89Å |
| 376 | L | 96.9 | Very high | 97 | Very high | 82 Ų | 82 | 96.5 Ų | 96.5 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.1 | 177.6 | 61.6 | 0 | 0 | 0 | 111.3 | Y372 Q373 V378 K379 M380 | Y372-L376 WeakPolarHBondContact O-CB 3.25Å; Y372-L376 PolarHBondContact O-N 2.92Å; Q373-L376 WeakPolarHBondContact O-CB 3.18Å; Q373-L376 PolarHBondContact O-N 3.45Å; L376-V378 PolarHBondContact O-N 3.18Å; L376-K379 PolarHBondContact O-N 2.98Å; L376-M380 HydrophobicContact CD1-CG 4.47Å; L376-M380 WeakPolarHBondContact O-CG 3.46Å; L376-M380 PolarHBondContact O-N 3.18Å |
| 377 | N | 96.7 | Very high | 96.9 | Very high | 76 Ų | 76 | 96.4 Ų | 96.4 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.9 | -64 | -23 | 0 | 0 | 0 | 111.2 | Q373 D374 L375 M380 A381 | Q373-N377 PolarHBondContact NE2-OD1 2.87Å; Q373-N377 PolarHBondContact O-N 3.27Å; Q373-N377 PolarHBondContact O-ND2 2.87Å; Q373-N377 PolarHBondContact O-OD1 3.36Å; D374-N377 WeakPolarHBondContact O-CB 3.49Å; D374-N377 PolarHBondContact O-N 2.81Å; L375-N377 VanDerWaalsContact C-N 3.35Å; N377-M380 PolarHBondContact O-N 2.72Å; N377-A381 PolarHBondContact O-N 3.14Å |
| 378 | V | 97.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 93.9 Ų | 93.9 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.3 | D374 L375 L376 M380 A381 L382 | D374-V378 WeakPolarHBondContact O-CG2 3.4Å; D374-V378 PolarHBondContact O-N 3.33Å; D374-V378 VanDerWaalsContact O-N 3.07Å; L375-V378 PolarHBondContact O-N 3.36Å; L376-V378 PolarHBondContact O-N 3.18Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.42Å; V378-A381 PolarHBondContact O-N 2.96Å; V378-L382 HydrophobicContact CG1-CD1 4.16Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 3.33Å |
| 379 | K | 97.2 | Very high | 96.5 | Very high | 109 Ų | 109 | 95 Ų | 95 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 176.9 | -172.8 | -90.8 | 173 | -175.1 | 0 | 111.8 | L375 L376 L382 D383 | L375-K379 WeakPolarHBondContact O-CB 3.25Å; L375-K379 PolarHBondContact O-N 2.89Å; L376-K379 PolarHBondContact O-N 2.98Å; K379-L382 PolarHBondContact O-N 3.49Å; K379-D383 WeakPolarHBondContact CD-OD2 3.31Å; K379-D383 WeakPolarHBondContact CE-OD1 3.38Å; K379-D383 VanDerWaalsContact CE-OD2 3.23Å; K379-D383 WeakPolarHBondContact CE-OD2 3.46Å; K379-D383 VanDerWaalsContact NZ-CG 3.32Å; K379-D383 IonicContact NZ-OD1 3.06Å; K379-D383 PolarHBondContact NZ-OD1 3.45Å; K379-D383 IonicContact NZ-OD2 2.7Å; K379-D383 PolarHBondContact NZ-OD2 3.04Å; K379-D383 PolarHBondContact O-N 3.24Å |
| 380 | M | 97.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 97.4 Ų | 97.4 | 50% | 0.502 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 176 | -73 | -177.9 | 64.3 | 0 | 0 | 112.4 | L376 N377 V378 D383 I384 | L376-M380 HydrophobicContact CD1-CG 4.47Å; L376-M380 WeakPolarHBondContact O-CG 3.46Å; L376-M380 PolarHBondContact O-N 3.18Å; N377-M380 PolarHBondContact O-N 2.72Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.42Å; M380-D383 PolarHBondContact O-N 2.96Å; M380-I384 VanDerWaalsContact O-CG1 3.3Å; M380-I384 WeakPolarHBondContact O-CG1 3.43Å; M380-I384 PolarHBondContact O-N 3.34Å; M380-I384 VanDerWaalsContact O-N 3.11Å |
| 381 | A | 96.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 98.3 Ų | 98.3 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N377 V378 D383 I384 E385 | N377-A381 PolarHBondContact O-N 3.14Å; V378-A381 PolarHBondContact O-N 2.96Å; A381-D383 PolarHBondContact O-N 2.83Å; A381-I384 WeakPolarHBondContact O-CB 3.5Å; A381-I384 PolarHBondContact O-N 2.88Å; A381-E385 PolarHBondContact O-N 3.11Å |
| 382 | L | 96.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 99.8 Ų | 99.8 | 45% | 0.445 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | -68.8 | 172.1 | 0 | 0 | 0 | 112.9 | V378 K379 I384 E385 I386 | V378-L382 HydrophobicContact CG1-CD1 4.16Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 3.33Å; K379-L382 PolarHBondContact O-N 3.49Å; L382-I384 VanDerWaalsContact C-N 3.3Å; L382-I384 PolarHBondContact O-N 3.32Å; L382-E385 PolarHBondContact O-N 3.4Å; L382-I386 WeakPolarHBondContact O-CB 3.24Å; L382-I386 WeakPolarHBondContact O-CD1 3.16Å; L382-I386 WeakPolarHBondContact O-CG1 3.49Å; L382-I386 PolarHBondContact O-N 3.49Å |
| 383 | D | 96.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 97.2 Ų | 97.2 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 173.1 | -69.5 | -35.3 | 0 | 0 | 0 | 111.5 | K379 M380 A381 I386 A387 | K379-D383 WeakPolarHBondContact CD-OD2 3.31Å; K379-D383 WeakPolarHBondContact CE-OD1 3.38Å; K379-D383 VanDerWaalsContact CE-OD2 3.23Å; K379-D383 WeakPolarHBondContact CE-OD2 3.46Å; K379-D383 VanDerWaalsContact NZ-CG 3.32Å; K379-D383 IonicContact NZ-OD1 3.06Å; K379-D383 PolarHBondContact NZ-OD1 3.45Å; K379-D383 IonicContact NZ-OD2 2.7Å; K379-D383 PolarHBondContact NZ-OD2 3.04Å; K379-D383 PolarHBondContact O-N 3.24Å; M380-D383 PolarHBondContact O-N 2.96Å; A381-D383 PolarHBondContact O-N 2.83Å; D383-I386 PolarHBondContact O-N 3.15Å; D383-A387 WeakPolarHBondContact O-CB 3.45Å; D383-A387 PolarHBondContact O-N 3.02Å |
| 384 | I | 95.4 | Very high | 94.5 | Very high | 118 Ų | 118 | 98 Ų | 98 | 61% | 0.605 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 177.7 | -67.2 | 163.9 | 0 | 0 | 0 | 110.4 | M380 A381 L382 A387 A388 | M380-I384 VanDerWaalsContact O-CG1 3.3Å; M380-I384 WeakPolarHBondContact O-CG1 3.43Å; M380-I384 PolarHBondContact O-N 3.34Å; M380-I384 VanDerWaalsContact O-N 3.11Å; A381-I384 WeakPolarHBondContact O-CB 3.5Å; A381-I384 PolarHBondContact O-N 2.88Å; L382-I384 VanDerWaalsContact C-N 3.3Å; L382-I384 PolarHBondContact O-N 3.32Å; I384-A387 PolarHBondContact O-N 3.41Å; I384-A388 WeakPolarHBondContact O-CB 3.5Å; I384-A388 PolarHBondContact O-N 3.2Å |
| 385 | E | 96.4 | Very high | 93.5 | Very high | 95 Ų | 95 | 95.9 Ų | 95.9 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 173.7 | -73.6 | 178.3 | -166.6 | 0 | 0 | 111.5 | A381 L382 A387 A388 Y389 | A381-E385 PolarHBondContact O-N 3.11Å; L382-E385 PolarHBondContact O-N 3.4Å; E385-A387 VanDerWaalsContact C-N 3.31Å; E385-A387 PolarHBondContact O-N 2.88Å; E385-A388 WeakPolarHBondContact O-CB 3.47Å; E385-A388 PolarHBondContact O-N 3Å; E385-A388 VanDerWaalsContact O-N 3.14Å; E385-Y389 HydrophobicContact CB-CD2 4.33Å; E385-Y389 HydrophobicContact CB-CE2 4.06Å; E385-Y389 WeakPolarHBondContact O-CD2 3.31Å; E385-Y389 PolarHBondContact O-N 3.19Å |
| 386 | I | 94.5 | Very high | 92.3 | Very high | 79 Ų | 79 | 94.4 Ų | 94.4 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.8 | -70 | 164.4 | 0 | 0 | 0 | 111.1 | L382 D383 Y389 R390 | L382-I386 WeakPolarHBondContact O-CB 3.24Å; L382-I386 WeakPolarHBondContact O-CD1 3.16Å; L382-I386 WeakPolarHBondContact O-CG1 3.49Å; L382-I386 PolarHBondContact O-N 3.49Å; D383-I386 PolarHBondContact O-N 3.15Å; I386-Y389 PolarHBondContact O-N 2.87Å; I386-R390 WeakPolarHBondContact O-CB 3.1Å; I386-R390 VanDerWaalsContact O-CG 3.28Å; I386-R390 WeakPolarHBondContact O-CG 3.5Å; I386-R390 PolarHBondContact O-N 3.48Å |
| 387 | A | 94.6 | Very high | 90.9 | Very high | 56 Ų | 56 | 96.3 Ų | 96.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D383 I384 E385 K391 | D383-A387 WeakPolarHBondContact O-CB 3.45Å; D383-A387 PolarHBondContact O-N 3.02Å; I384-A387 PolarHBondContact O-N 3.41Å; E385-A387 VanDerWaalsContact C-N 3.31Å; E385-A387 PolarHBondContact O-N 2.88Å; A387-K391 WeakPolarHBondContact O-CB 3.41Å; A387-K391 PolarHBondContact O-N 3.32Å |
| 388 | A | 93.1 | Very high | 89.2 | Confident | 60 Ų | 60 | 97.6 Ų | 97.6 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I384 E385 K391 L392 | I384-A388 WeakPolarHBondContact O-CB 3.5Å; I384-A388 PolarHBondContact O-N 3.2Å; E385-A388 WeakPolarHBondContact O-CB 3.47Å; E385-A388 PolarHBondContact O-N 3Å; E385-A388 VanDerWaalsContact O-N 3.14Å; A388-K391 PolarHBondContact O-N 3.32Å; A388-L392 PolarHBondContact O-N 3.46Å |
| 389 | Y | 95.4 | Very high | 87.6 | Confident | 141 Ų | 141 | 101.4 Ų | 101.4 | 55% | 0.553 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -47 | 174.2 | -70.7 | -54.6 | 0 | 0 | 0 | 111.4 | E385 I386 K391 L392 L393 | E385-Y389 HydrophobicContact CB-CD2 4.33Å; E385-Y389 HydrophobicContact CB-CE2 4.06Å; E385-Y389 WeakPolarHBondContact O-CD2 3.31Å; E385-Y389 PolarHBondContact O-N 3.19Å; I386-Y389 PolarHBondContact O-N 2.87Å; Y389-K391 VanDerWaalsContact C-N 3.34Å; Y389-K391 PolarHBondContact O-N 3.19Å; Y389-L392 WeakPolarHBondContact O-CB 3.45Å; Y389-L392 PolarHBondContact O-N 3.39Å; Y389-L392 VanDerWaalsContact O-N 3.11Å; Y389-L393 WeakPolarHBondContact O-CD1 3.46Å; Y389-L393 PolarHBondContact O-N 2.67Å |
| 390 | R | 93.8 | Very high | 85.7 | Confident | 165 Ų | 165 | 100.9 Ų | 100.9 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54.6 | -49 | 174.6 | -77.4 | 174.5 | -177.8 | 172.4 | 2.8 | 111.8 | I386 L392 L393 E394 | I386-R390 WeakPolarHBondContact O-CB 3.1Å; I386-R390 VanDerWaalsContact O-CG 3.28Å; I386-R390 WeakPolarHBondContact O-CG 3.5Å; I386-R390 PolarHBondContact O-N 3.48Å; R390-L392 VanDerWaalsContact C-N 3.28Å; R390-L392 PolarHBondContact O-N 3.26Å; R390-L393 PolarHBondContact O-N 3.08Å; R390-L393 VanDerWaalsContact O-N 3.15Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 3.31Å |
| 391 | K | 92.4 | Very high | 83.6 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -33.4 | 177.9 | -172.4 | 175.3 | -178.8 | 178 | 0 | 113.2 | A387 A388 Y389 G395 | A387-K391 WeakPolarHBondContact O-CB 3.41Å; A387-K391 PolarHBondContact O-N 3.32Å; A388-K391 PolarHBondContact O-N 3.32Å; Y389-K391 VanDerWaalsContact C-N 3.34Å; Y389-K391 PolarHBondContact O-N 3.19Å; K391-G395 PolarHBondContact O-N 2.88Å; K391-G395 VanDerWaalsContact O-N 3.14Å |
| 392 | L | 90.7 | Very high | 81.3 | Confident | 120 Ų | 120 | 107.3 Ų | 107.3 | 63% | 0.628 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.6 | -42 | 174.5 | -172.5 | 66.6 | 0 | 0 | 0 | 111.6 | A388 Y389 R390 G395 E396 | A388-L392 PolarHBondContact O-N 3.46Å; Y389-L392 WeakPolarHBondContact O-CB 3.45Å; Y389-L392 PolarHBondContact O-N 3.39Å; Y389-L392 VanDerWaalsContact O-N 3.11Å; R390-L392 VanDerWaalsContact C-N 3.28Å; R390-L392 PolarHBondContact O-N 3.26Å; L392-G395 PolarHBondContact O-N 3.34Å; L392-E396 PolarHBondContact O-N 3.38Å |
| 393 | L | 85.6 | Confident | 79.2 | Confident | 108 Ų | 108 | 108.2 Ų | 108.2 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 173.7 | -89 | 109 | 0 | 0 | 0 | 112 | Y389 R390 G395 E396 E397 | Y389-L393 WeakPolarHBondContact O-CD1 3.46Å; Y389-L393 PolarHBondContact O-N 2.67Å; R390-L393 PolarHBondContact O-N 3.08Å; R390-L393 VanDerWaalsContact O-N 3.15Å; L393-G395 PolarHBondContact O-N 2.79Å; L393-E396 CarbonylContact O-C 3.59Å; L393-E396 PolarHBondContact O-N 2.83Å; L393-E396 VanDerWaalsContact O-N 3.14Å; L393-E397 WeakPolarHBondContact O-CG 3.25Å; L393-E397 PolarHBondContact O-N 2.78Å |
| 394 | E | 82.4 | Confident | 76.4 | Confident | 111 Ų | 111 | 109.4 Ų | 109.4 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.1 | -36.1 | 173.3 | -71.9 | 163.7 | -164.5 | 0 | 0 | 111.6 | R390 T398 | R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 3.31Å; E394-T398 WeakPolarHBondContact O-CB 3.34Å; E394-T398 PolarHBondContact O-N 2.65Å; E394-T398 PolarHBondContact O-OG1 3.24Å |
| 395 | G | 76.7 | Confident | 74 | Confident | 36 Ų | 36 | 110.9 Ų | 110.9 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.2 | -41 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K391 L392 L393 T398 R399 | K391-G395 PolarHBondContact O-N 2.88Å; K391-G395 VanDerWaalsContact O-N 3.14Å; L392-G395 PolarHBondContact O-N 3.34Å; L393-G395 PolarHBondContact O-N 2.79Å; G395-T398 PolarHBondContact O-N 2.9Å; G395-R399 PolarHBondContact O-N 3.03Å |
| 396 | E | 71.1 | Confident | 71.5 | Confident | 82 Ų | 82 | 109.7 Ų | 109.7 | 38% | 0.383 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.4 | -43.7 | 172.7 | -83.9 | -70.7 | 101.9 | 0 | 0 | 111.9 | L392 L393 T398 R399 L400 | L392-E396 PolarHBondContact O-N 3.38Å; L393-E396 CarbonylContact O-C 3.59Å; L393-E396 PolarHBondContact O-N 2.83Å; L393-E396 VanDerWaalsContact O-N 3.14Å; E396-T398 PolarHBondContact O-N 3.46Å; E396-R399 WeakPolarHBondContact O-CA 3.32Å; E396-R399 WeakPolarHBondContact O-CB 3.27Å; E396-R399 PolarHBondContact O-N 3.45Å; E396-R399 IonicContact OE1-CZ 2.71Å; E396-R399 IonicContact OE1-NH1 2.77Å; E396-R399 PolarHBondContact OE1-NH1 2.95Å; E396-R399 IonicContact OE2-NH1 3.58Å; E396-L400 WeakPolarHBondContact O-CB 3.37Å; E396-L400 WeakPolarHBondContact O-CG 3.16Å; E396-L400 PolarHBondContact O-N 3.45Å |
| 397 | E | 67.4 | Low | 68.7 | Low | 121 Ų | 121 | 111.3 Ų | 111.3 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.3 | -38.3 | 173 | -76.2 | -174 | 170.8 | 0 | 0 | 111.1 | L393 R399 L400 S401 | L393-E397 WeakPolarHBondContact O-CG 3.25Å; L393-E397 PolarHBondContact O-N 2.78Å; E397-R399 VanDerWaalsContact C-N 3.33Å; E397-R399 PolarHBondContact O-N 3.35Å; E397-L400 PolarHBondContact O-N 2.88Å; E397-S401 WeakPolarHBondContact O-CB 3.32Å; E397-S401 PolarHBondContact O-N 3.11Å; E397-S401 PolarHBondContact O-OG 3.39Å |
| 398 | T | 62 | Low | 66.3 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 63% | 0.632 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.9 | -35.9 | 175 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | E394 G395 E396 | E394-T398 WeakPolarHBondContact O-CB 3.34Å; E394-T398 PolarHBondContact O-N 2.65Å; E394-T398 PolarHBondContact O-OG1 3.24Å; G395-T398 PolarHBondContact O-N 2.9Å; E396-T398 PolarHBondContact O-N 3.46Å |
| 399 | R | 63.6 | Low | 63.9 | Low | 164 Ų | 164 | 118.6 Ų | 118.6 | 62% | 0.619 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.8 | -42.3 | 173.8 | -69.4 | 177.7 | 67.9 | -129.5 | -2 | 112.5 | G395 E396 E397 F402 | G395-R399 PolarHBondContact O-N 3.03Å; E396-R399 WeakPolarHBondContact O-CA 3.32Å; E396-R399 WeakPolarHBondContact O-CB 3.27Å; E396-R399 PolarHBondContact O-N 3.45Å; E396-R399 IonicContact OE1-CZ 2.71Å; E396-R399 IonicContact OE1-NH1 2.77Å; E396-R399 PolarHBondContact OE1-NH1 2.95Å; E396-R399 IonicContact OE2-NH1 3.58Å; E397-R399 VanDerWaalsContact C-N 3.33Å; E397-R399 PolarHBondContact O-N 3.35Å; R399-F402 PolarHBondContact O-N 2.92Å |
| 400 | L | 56.8 | Low | 61.1 | Low | 98 Ų | 98 | 117.6 Ų | 117.6 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.1 | -30.7 | -179.2 | -67.6 | 169.2 | 0 | 0 | 0 | 112.3 | E396 E397 F402 T403 S404 | E396-L400 WeakPolarHBondContact O-CB 3.37Å; E396-L400 WeakPolarHBondContact O-CG 3.16Å; E396-L400 PolarHBondContact O-N 3.45Å; E397-L400 PolarHBondContact O-N 2.88Å; L400-F402 PolarHBondContact O-N 3.29Å; L400-T403 PolarHBondContact O-N 2.91Å; L400-T403 VanDerWaalsContact O-N 3.08Å; L400-T403 PolarHBondContact O-OG1 3.33Å; L400-S404 WeakPolarHBondContact O-CB 3.38Å; L400-S404 PolarHBondContact O-N 3.18Å |
| 401 | S | 53.2 | Low | 58.4 | Low | 94 Ų | 94 | 113 Ų | 113 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -22.2 | 172.7 | -63 | 0 | 0 | 0 | 0 | 113.1 | E397 | E397-S401 WeakPolarHBondContact O-CB 3.32Å; E397-S401 PolarHBondContact O-N 3.11Å; E397-S401 PolarHBondContact O-OG 3.39Å |
| 402 | F | 50.1 | Low | 55.7 | Low | 189 Ų | 189 | 116.7 Ų | 116.7 | 83% | 0.829 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -18.1 | 173.4 | -171.1 | -103.1 | 0 | 0 | 0 | 113.1 | R399 L400 | R399-F402 PolarHBondContact O-N 2.92Å; L400-F402 PolarHBondContact O-N 3.29Å |
| 403 | T | 51.8 | Low | 53.3 | Low | 105 Ų | 105 | 115.4 Ų | 115.4 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -14 | -176.7 | 49.9 | 0 | 0 | 0 | 0 | 115 | L400 | L400-T403 PolarHBondContact O-N 2.91Å; L400-T403 VanDerWaalsContact O-N 3.08Å; L400-T403 PolarHBondContact O-OG1 3.33Å |
| 404 | S | 37.6 | Very low | 50.9 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | trans | -103.8 | 89 | -180 | -163.2 | 0 | 0 | 0 | 0 | 113.2 | L400 G406 | L400-S404 WeakPolarHBondContact O-CB 3.38Å; L400-S404 PolarHBondContact O-N 3.18Å; S404-G406 PolarHBondContact O-N 3.27Å | ||
| 405 | V | 45.2 | Very low | 48.6 | Very low | 150 Ų | 150 | 119 Ų | 119 | 91% | 0.909 | 69% | 0.693 | S | S | * | * | trans | -78.6 | 105.9 | 163.2 | -84.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 406 | G | 43.9 | Very low | 46.8 | Very low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | 108.1 | 107.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | S404 | S404-G406 PolarHBondContact O-N 3.27Š| ||
| 407 | S | 35.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | -164.1 | 107.4 | 115 | -169.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 408 | I | 44.8 | Very low | 44 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -12 | 147.9 | 136.1 | 38 | 174.6 | 0 | 0 | 0 | 116.7 | ||||
| 409 | T | 42.1 | Very low | 42.6 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -162.5 | 156.4 | 12.5 | 10.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 410 | S | 37 | Very low | 41.1 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 67 | 148.4 | 156.2 | -76 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 411 | G | 37.2 | Very low | 39.8 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 121.7 | 112.2 | -19.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 412 | Y | 36 | Very low | 39.5 | Very low | 236 Ų | 236 | 137.2 Ų | 137.2 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -153.1 | 151.4 | 150.4 | -129.9 | -89.1 | 0 | 0 | 0 | 110 | ||||
| 413 | S | 39.8 | Very low | 39 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -122.3 | 157.6 | -169.8 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 414 | Q | 35.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 121.7 | 138 | 170.2 | -72.6 | 170.4 | 58.9 | 0 | 0 | 111.7 | ||||
| 415 | S | 33.7 | Very low | 38.4 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | cis | -159.4 | 146.7 | -12 | 47.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 416 | S | 38.8 | Very low | 38.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -101.9 | 136 | 172.1 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 417 | Q | 35.5 | Very low | 38 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -149.4 | 168.2 | 149.4 | -81.8 | -140.7 | -36.7 | 0 | 0 | 110.3 | ||||
| 418 | V | 45.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -130.9 | 163.3 | -146.9 | -156.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 419 | F | 32.1 | Very low | 37.6 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | 73.6 | 128 | 166.9 | -79.4 | -84.7 | 0 | 0 | 0 | 118.9 | ||||
| 420 | G | 30.9 | Very low | 37.2 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 164.4 | 80.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 421 | R | 30.9 | Very low | 37.2 | Very low | 249 Ų | 249 | 138.3 Ų | 138.3 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | trans | 57.9 | 133.2 | 152.2 | -81.6 | 178.6 | 166.2 | -107 | -0.9 | 122.3 | ||||
| 422 | S | 45.2 | Very low | 37.4 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -54.1 | 136.1 | 154.6 | 169.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 423 | A | 40 | Very low | 37.7 | Very low | 67 Ų | 67 | 142 Ų | 142 | 55% | 0.554 | 80% | 0.801 | S | S | * | * | trans | -168.3 | 154.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 424 | Y | 37.4 | Very low | 37.5 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | trans | 66.2 | 127.6 | -179 | -46.4 | -81.7 | 0 | 0 | 0 | 114.7 | ||||
| 425 | G | 39.2 | Very low | 37.2 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | cis | 115.2 | 111.3 | 4.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 426 | G | 43.4 | Very low | 37.4 | Very low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 112.7 | 62.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 427 | L | 36.9 | Very low | 37.4 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -118.4 | 103.2 | 139.6 | -93.1 | 79.9 | 0 | 0 | 0 | 105.8 | ||||
| 428 | Q | 38.3 | Very low | 37.7 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | 55.1 | 65.2 | 82.7 | -68.5 | -72.4 | -8.5 | 0 | 0 | 111.9 | S430 | Q428-S430 PolarHBondContact O-N 3.14Š| |||
| 429 | T | 34.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -56.4 | 109.9 | 155.5 | 35.5 | 0 | 0 | 0 | 0 | 109.1 | S431 | T429-S431 PolarHBondContact O-N 3.49Š| ||
| 430 | S | 33.7 | Very low | 37.4 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -63.9 | 124.3 | 174.5 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | Q428 Y432 | Q428-S430 PolarHBondContact O-N 3.14Å; S430-Y432 PolarHBondContact O-N 3.04Å | ||
| 431 | S | 36.2 | Very low | 37.7 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | trans | -71.3 | 119.2 | -173 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | T429 L433 | T429-S431 PolarHBondContact O-N 3.49Å; S431-L433 PolarHBondContact O-N 3.33Å | ||
| 432 | Y | 40.9 | Very low | 38.2 | Very low | 224 Ų | 224 | 139 Ų | 139 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | -70.9 | 103.7 | 150.5 | -79 | -92.2 | 0 | 0 | 0 | 108.3 | S430 M434 | S430-Y432 PolarHBondContact O-N 3.04Å; Y432-M434 PolarHBondContact O-N 2.8Å | ||
| 433 | L | 42.1 | Very low | 38.2 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -85.2 | 88.2 | 167.7 | -68 | 179.9 | 0 | 0 | 0 | 109.2 | S431 S435 | S431-L433 PolarHBondContact O-N 3.33Å; L433-S435 PolarHBondContact O-N 3.24Å | ||
| 434 | M | 35.7 | Very low | 37.7 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | -68.8 | 120.7 | 156.8 | -82.3 | -68.8 | 158.9 | 0 | 0 | 108.1 | Y432 T436 | Y432-M434 PolarHBondContact O-N 2.8Å; M434-T436 PolarHBondContact O-N 2.86Å | ||
| 435 | S | 30.8 | Very low | 37.9 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -74.9 | 94.3 | 177.9 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | L433 R437 | L433-S435 PolarHBondContact O-N 3.24Å; S435-R437 VanDerWaalsContact C-N 3.35Å; S435-R437 PolarHBondContact O-N 3.46Å | ||
| 436 | T | 37.3 | Very low | 38.3 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -68.3 | 93.2 | 166.9 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | M434 S438 | M434-T436 PolarHBondContact O-N 2.86Å; T436-S438 PolarHBondContact O-N 3.24Å | ||
| 437 | R | 39.1 | Very low | 38.3 | Very low | 212 Ų | 212 | 145.7 Ų | 145.7 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -75 | 115.7 | 158.3 | -85.1 | -172 | 169.3 | -160.9 | -2.6 | 108.2 | S435 F439 | S435-R437 VanDerWaalsContact C-N 3.35Å; S435-R437 PolarHBondContact O-N 3.46Å; R437-F439 PolarHBondContact O-N 3.46Å | ||
| 438 | S | 42.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.5 | 159.3 | 40 | 0 | 0 | 0 | 0 | 109 | T436 | T436-S438 PolarHBondContact O-N 3.24Š|
| 439 | F | 35 | Very low | 38.5 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 135.6 | 161.2 | -81.9 | -92.9 | 0 | 0 | 0 | 108.1 | R437 S441 | R437-F439 PolarHBondContact O-N 3.46Å; F439-S441 PolarHBondContact O-N 2.86Å |
| 440 | P | 36.2 | Very low | 38.9 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.7 | 166.3 | -21.8 | 33.9 | 0 | 0 | 0 | 109.8 | Y442 | P440-Y442 HydrophobicContact CB-CD2 4.12Å; P440-Y442 HydrophobicContact CB-CE2 4.45Å; P440-Y442 PolarHBondContact O-N 3.38Å |
| 441 | S | 36.7 | Very low | 39.2 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -83.4 | 88.6 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | F439 | F439-S441 PolarHBondContact O-N 2.86Š| ||
| 442 | Y | 42 | Very low | 39.6 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 60% | 0.6 | 75% | 0.75 | S | S | * | * | trans | -128.5 | 127.6 | 163.2 | -68.4 | -83.9 | 0 | 0 | 0 | 107.9 | P440 | P440-Y442 HydrophobicContact CB-CD2 4.12Å; P440-Y442 HydrophobicContact CB-CE2 4.45Å; P440-Y442 PolarHBondContact O-N 3.38Å | ||
| 443 | Y | 43.6 | Very low | 39.8 | Very low | 229 Ų | 229 | 145.3 Ų | 145.3 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | 63.3 | 78.3 | -179 | -100.5 | -96.3 | 0 | 0 | 0 | 117 | ||||
| 444 | T | 30.1 | Very low | 40.1 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -140.7 | 100.1 | 140 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 445 | S | 41.3 | Very low | 40.8 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 52% | 0.517 | 72% | 0.718 | S | S | . | * | trans | -92.2 | 124 | -179.7 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | V447 | S445-V447 PolarHBondContact O-N 2.88Š| ||
| 446 | H | 48.5 | Very low | 41.7 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | trans | 22.1 | 91.3 | 137.1 | -47 | -66.1 | 0 | 0 | 0 | 117.4 | ||||
| 447 | V | 43.2 | Very low | 42.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -138.3 | -7.4 | 160.8 | -175 | 0 | 0 | 0 | 0 | 112.8 | S445 | S445-V447 PolarHBondContact O-N 2.88Š|
| 448 | Q | 37.9 | Very low | 43.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -135.3 | 6.5 | -163 | -107.4 | 156.1 | 4.9 | 0 | 0 | 118.9 | ||
| 449 | E | 41.8 | Very low | 43.6 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -112.7 | -26.8 | 167.5 | -76.3 | 175.5 | 143.6 | 0 | 0 | 112.7 | Q451 I452 | E449-Q451 VanDerWaalsContact C-N 3.27Å; E449-Q451 PolarHBondContact O-N 2.93Å; E449-I452 PolarHBondContact O-N 2.69Å |
| 450 | E | 43.7 | Very low | 44.4 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.3 | -17.9 | -178.1 | -143.1 | 169.3 | -155.9 | 0 | 0 | 114 | V454 | E450-V454 VanDerWaalsContact O-CG2 3.26Å; E450-V454 WeakPolarHBondContact O-CG2 3.41Å |
| 451 | Q | 38.2 | Very low | 45.1 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 67% | 0.673 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.6 | -13 | 179 | -71.1 | -173 | -14.4 | 0 | 0 | 114.3 | E449 | E449-Q451 VanDerWaalsContact C-N 3.27Å; E449-Q451 PolarHBondContact O-N 2.93Å |
| 452 | I | 45.4 | Very low | 45.8 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -97.7 | -39.8 | -178.1 | -60.7 | 175.2 | 0 | 0 | 0 | 110.8 | E449 E456 | E449-I452 PolarHBondContact O-N 2.69Å; I452-E456 PolarHBondContact O-N 3.05Å |
| 453 | E | 44.4 | Very low | 45.9 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74 | -28 | 179.8 | -63.5 | -171 | 155.5 | 0 | 0 | 113.1 | T457 | E453-T457 WeakPolarHBondContact O-CB 3.34Å; E453-T457 VanDerWaalsContact O-CG2 3.27Å; E453-T457 WeakPolarHBondContact O-CG2 3.46Å; E453-T457 PolarHBondContact O-N 3.24Å; E453-T457 PolarHBondContact O-OG1 2.88Å |
| 454 | V | 49.5 | Very low | 46.1 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -74.2 | -33.8 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | E450 T457 I458 | E450-V454 VanDerWaalsContact O-CG2 3.26Å; E450-V454 WeakPolarHBondContact O-CG2 3.41Å; V454-T457 WeakPolarHBondContact CA-OG1 3.5Å; V454-T457 PolarHBondContact O-OG1 3.49Å; V454-I458 HydrophobicContact CG1-CD1 3.72Å; V454-I458 HydrophobicContact CG1-CG1 4.48Å; V454-I458 WeakPolarHBondContact O-CD1 3.46Å; V454-I458 VanDerWaalsContact O-CG1 3.23Å; V454-I458 WeakPolarHBondContact O-CG1 3.41Å; V454-I458 PolarHBondContact O-N 3.41Å |
| 455 | E | 49.4 | Very low | 46.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.5 | -42.2 | -179.9 | -148.2 | 169.5 | -149.4 | 0 | 0 | 111.3 | T457 I458 E459 | E455-T457 PolarHBondContact O-N 3.31Å; E455-I458 PolarHBondContact O-N 3.43Å; E455-E459 PolarHBondContact O-N 2.81Å |
| 456 | E | 50.5 | Low | 46.8 | Very low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.5 | -31.2 | 177.8 | -165.4 | 170 | -161.1 | 0 | 0 | 112.9 | I452 A460 | I452-E456 PolarHBondContact O-N 3.05Å; E456-A460 WeakPolarHBondContact O-CB 3.45Å; E456-A460 PolarHBondContact O-N 3.24Å |
| 457 | T | 53.5 | Low | 46.6 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 53% | 0.528 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -77.1 | -32.3 | 176.6 | 49.2 | 0 | 0 | 0 | 0 | 113.7 | E453 V454 E455 A460 A461 | E453-T457 WeakPolarHBondContact O-CB 3.34Å; E453-T457 VanDerWaalsContact O-CG2 3.27Å; E453-T457 WeakPolarHBondContact O-CG2 3.46Å; E453-T457 PolarHBondContact O-N 3.24Å; E453-T457 PolarHBondContact O-OG1 2.88Å; V454-T457 WeakPolarHBondContact CA-OG1 3.5Å; V454-T457 PolarHBondContact O-OG1 3.49Å; E455-T457 PolarHBondContact O-N 3.31Å; T457-A460 PolarHBondContact O-N 2.85Å; T457-A461 WeakPolarHBondContact O-CB 3.47Å; T457-A461 PolarHBondContact O-N 3.35Å |
| 458 | I | 54.2 | Low | 46.2 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 52% | 0.518 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.6 | -39.4 | 174.8 | -68.9 | 168.8 | 0 | 0 | 0 | 111.2 | V454 E455 K462 | V454-I458 HydrophobicContact CG1-CD1 3.72Å; V454-I458 HydrophobicContact CG1-CG1 4.48Å; V454-I458 WeakPolarHBondContact O-CD1 3.46Å; V454-I458 VanDerWaalsContact O-CG1 3.23Å; V454-I458 WeakPolarHBondContact O-CG1 3.41Å; V454-I458 PolarHBondContact O-N 3.41Å; E455-I458 PolarHBondContact O-N 3.43Å; I458-K462 WeakPolarHBondContact O-CB 3.22Å; I458-K462 PolarHBondContact O-N 2.87Å |
| 459 | E | 51.3 | Low | 45.9 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.8 | -34.6 | 174.5 | -70.9 | -159.1 | 143.4 | 0 | 0 | 112.6 | E455 | E455-E459 PolarHBondContact O-N 2.81Å |
| 460 | A | 50.3 | Low | 45.9 | Very low | 59 Ų | 59 | 128.3 Ų | 128.3 | 49% | 0.488 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.6 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E456 T457 K462 A463 | E456-A460 WeakPolarHBondContact O-CB 3.45Å; E456-A460 PolarHBondContact O-N 3.24Å; T457-A460 PolarHBondContact O-N 2.85Å; A460-K462 VanDerWaalsContact C-N 3.35Å; A460-K462 PolarHBondContact O-N 3.27Å; A460-A463 PolarHBondContact O-N 3.34Å |
| 461 | A | 52.4 | Low | 45.9 | Very low | 63 Ų | 63 | 126.5 Ų | 126.5 | 52% | 0.521 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -62.1 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T457 A463 E464 E465 | T457-A461 WeakPolarHBondContact O-CB 3.47Å; T457-A461 PolarHBondContact O-N 3.35Å; A461-A463 PolarHBondContact O-N 2.97Å; A461-E464 PolarHBondContact O-N 3.1Å; A461-E465 PolarHBondContact O-N 2.92Å |
| 462 | K | 49.8 | Very low | 45.5 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.7 | -9.6 | -179 | -151.1 | 169.9 | -167.7 | 169 | 0 | 114.2 | I458 A460 | I458-K462 WeakPolarHBondContact O-CB 3.22Å; I458-K462 PolarHBondContact O-N 2.87Å; A460-K462 VanDerWaalsContact C-N 3.35Å; A460-K462 PolarHBondContact O-N 3.27Å |
| 463 | A | 46 | Very low | 44.9 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 57% | 0.57 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -96.9 | -20.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A460 A461 | A460-A463 PolarHBondContact O-N 3.34Å; A461-A463 PolarHBondContact O-N 2.97Å |
| 464 | E | 47.1 | Very low | 44.2 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -85.2 | -36.1 | 174.9 | -82.3 | -97 | 118.7 | 0 | 0 | 112.2 | A461 A466 | A461-E464 PolarHBondContact O-N 3.1Å; E464-A466 PolarHBondContact O-N 2.8Å |
| 465 | E | 42.3 | Very low | 43.7 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -6.7 | -176.4 | -160 | 173.3 | -160.7 | 0 | 0 | 114.4 | A461 | A461-E465 PolarHBondContact O-N 2.92Š|
| 466 | A | 44 | Very low | 43.2 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 17.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E464 | E464-A466 PolarHBondContact O-N 2.8Š|
| 467 | K | 44.4 | Very low | 42.7 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -137 | -16.4 | -170 | -88.4 | -172.7 | 179.6 | 169.5 | 0 | 120.8 | ||
| 468 | D | 34.6 | Very low | 42.1 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -127.2 | 92.8 | -177.6 | -85.5 | -46.7 | 0 | 0 | 0 | 113.7 | ||||
| 469 | E | 31.1 | Very low | 41.4 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -145.5 | 156.8 | 156.3 | -106 | -162 | -178.7 | 0 | 0 | 106.7 | ||||
| 470 | P | 41.6 | Very low | 41.1 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -134.3 | -148.8 | 4.2 | 45.6 | -26.7 | 0 | 0 | 0 | 110.3 | ||||
| 471 | P | 43.7 | Very low | 40.6 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -136.6 | 173.4 | -14.1 | 40.5 | -23 | 0 | 0 | 0 | 117.4 | ||||
| 472 | S | 30.9 | Very low | 40.2 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 95.4 | 147.1 | 139 | 79.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 473 | E | 31.2 | Very low | 40 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | 77.5 | 106.8 | 170.6 | -62.2 | -171.6 | -174.8 | 0 | 0 | 117.6 | ||||
| 474 | G | 29.7 | Very low | 39.9 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 165.3 | 25 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 475 | E | 40.7 | Very low | 39.8 | Very low | 201 Ų | 201 | 146 Ų | 146 | 94% | 0.939 | 77% | 0.766 | S | S | * | * | trans | -70 | 141.4 | 168.7 | -72.8 | 179 | 169.5 | 0 | 0 | 110.2 | ||||
| 476 | A | 38.8 | Very low | 39.9 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 95.4 | 76.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 477 | E | 39.7 | Very low | 40 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -161 | -4.5 | 143.6 | -116.6 | 167.7 | -143.4 | 0 | 0 | 115.2 | ||
| 478 | E | 40.3 | Very low | 40.3 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -96.8 | -1.3 | 176.9 | -66 | -163.8 | 148.4 | 0 | 0 | 115.4 | E480 | E478-E480 PolarHBondContact O-N 3Š|
| 479 | E | 40.1 | Very low | 41 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 2.2 | -177.4 | -118.2 | -156.7 | -131.8 | 0 | 0 | 115.6 | K483 | E479-K483 PolarHBondContact O-NZ 3.33Å; E479-K483 IonicContact OE2-NZ 2.84Å; E479-K483 PolarHBondContact OE2-NZ 2.76Å |
| 480 | E | 44.4 | Very low | 41.9 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -18.3 | 175.7 | -77.1 | -160.9 | 155.3 | 0 | 0 | 114.4 | E478 | E478-E480 PolarHBondContact O-N 3Š|
| 481 | K | 40.7 | Very low | 42.3 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -81.2 | -42.3 | 178.5 | -96.4 | -168.7 | 165 | -160.5 | 0 | 113.8 | K483 E484 | K481-K483 PolarHBondContact O-N 3.12Å; K481-E484 PolarHBondContact O-N 3.33Å |
| 482 | D | 42.6 | Very low | 42.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -71.9 | 1.6 | -179.6 | -63.7 | 1.1 | 0 | 0 | 0 | 113.3 | ||
| 483 | K | 45.1 | Very low | 43.9 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 49% | 0.491 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -102.2 | -28.1 | 173.7 | -68.4 | -177 | -173.9 | 117.2 | 0 | 113.4 | E479 K481 E487 | E479-K483 PolarHBondContact O-NZ 3.33Å; E479-K483 IonicContact OE2-NZ 2.84Å; E479-K483 PolarHBondContact OE2-NZ 2.76Å; K481-K483 PolarHBondContact O-N 3.12Å; K483-E487 PolarHBondContact O-N 3.29Å |
| 484 | E | 44.2 | Very low | 45 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.2 | -39 | 174.7 | -72.9 | -172.1 | 144 | 0 | 0 | 111.4 | K481 A486 E487 E488 | K481-E484 PolarHBondContact O-N 3.33Å; E484-A486 VanDerWaalsContact C-N 3.28Å; E484-A486 PolarHBondContact O-N 3.48Å; E484-E487 PolarHBondContact O-N 2.86Å; E484-E488 PolarHBondContact O-N 3.41Å |
| 485 | E | 45.6 | Very low | 46.1 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -69 | -24.5 | 175.7 | -68.7 | -171.9 | 172.8 | 0 | 0 | 112.9 | E489 | E485-E489 PolarHBondContact O-N 2.77Å |
| 486 | A | 44.8 | Very low | 46.9 | Very low | 52 Ų | 52 | 136.2 Ų | 136.2 | 43% | 0.43 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -79.3 | -34.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E484 E490 | E484-A486 VanDerWaalsContact C-N 3.28Å; E484-A486 PolarHBondContact O-N 3.48Å; A486-E490 PolarHBondContact O-N 2.93Å |
| 487 | E | 46.9 | Very low | 47.9 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.2 | -26 | 174.8 | -73.4 | -169.2 | 170.1 | 0 | 0 | 112.3 | K483 E484 T491 | K483-E487 PolarHBondContact O-N 3.29Å; E484-E487 PolarHBondContact O-N 2.86Å; E487-T491 WeakPolarHBondContact O-CB 3.45Å; E487-T491 WeakPolarHBondContact O-CG2 3.25Å; E487-T491 PolarHBondContact O-N 2.96Å; E487-T491 PolarHBondContact O-OG1 3.26Å |
| 488 | E | 50 | Low | 48.8 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.7 | -31.1 | 172.2 | -73.8 | -162.8 | 156.3 | 0 | 0 | 113.4 | E484 T491 A492 | E484-E488 PolarHBondContact O-N 3.41Å; E488-T491 PolarHBondContact O-OG1 3.43Å; E488-A492 PolarHBondContact O-N 3.04Å |
| 489 | E | 50 | Low | 49.8 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.1 | -43.9 | 172.4 | -79.4 | -165 | 149 | 0 | 0 | 112.7 | E485 T491 A492 E493 | E485-E489 PolarHBondContact O-N 2.77Å; E489-T491 VanDerWaalsContact C-N 3.32Å; E489-T491 PolarHBondContact O-N 3Å; E489-A492 PolarHBondContact O-N 2.94Å; E489-E493 PolarHBondContact O-N 3.14Å; E489-E493 VanDerWaalsContact O-N 3.13Å |
| 490 | E | 49.9 | Very low | 50.7 | Low | 148 Ų | 148 | 126 Ų | 126 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -34.2 | 178.5 | -75.7 | -165.3 | 165.4 | 0 | 0 | 112.5 | A486 E494 | A486-E490 PolarHBondContact O-N 2.93Å; E490-E494 PolarHBondContact O-N 3.39Å; E490-E494 VanDerWaalsContact O-N 3.13Å |
| 491 | T | 49.6 | Very low | 51.3 | Low | 85 Ų | 85 | 125.3 Ų | 125.3 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.1 | -26.2 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | E487 E488 E489 E495 | E487-T491 WeakPolarHBondContact O-CB 3.45Å; E487-T491 WeakPolarHBondContact O-CG2 3.25Å; E487-T491 PolarHBondContact O-N 2.96Å; E487-T491 PolarHBondContact O-OG1 3.26Å; E488-T491 PolarHBondContact O-OG1 3.43Å; E489-T491 VanDerWaalsContact C-N 3.32Å; E489-T491 PolarHBondContact O-N 3Å; T491-E495 PolarHBondContact O-N 2.79Å |
| 492 | A | 52.3 | Low | 52 | Low | 55 Ų | 55 | 120.5 Ų | 120.5 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.3 | -38.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E488 E489 E495 E496 | E488-A492 PolarHBondContact O-N 3.04Å; E489-A492 PolarHBondContact O-N 2.94Å; A492-E495 PolarHBondContact O-N 3.46Å; A492-E496 PolarHBondContact O-N 2.71Å; A492-E496 VanDerWaalsContact O-N 3.12Å |
| 493 | E | 54.8 | Low | 52.7 | Low | 156 Ų | 156 | 121.1 Ų | 121.1 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68 | -36.2 | 174.4 | -70.7 | -161.9 | 154 | 0 | 0 | 112.3 | E489 A497 | E489-E493 PolarHBondContact O-N 3.14Å; E489-E493 VanDerWaalsContact O-N 3.13Å; E493-A497 WeakPolarHBondContact O-CB 3.41Å; E493-A497 PolarHBondContact O-N 3.19Å |
| 494 | E | 53.8 | Low | 53.1 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 71% | 0.71 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.9 | -36.1 | 172.8 | -78 | -161.6 | 151.6 | 0 | 0 | 113.2 | E490 A498 | E490-E494 PolarHBondContact O-N 3.39Å; E490-E494 VanDerWaalsContact O-N 3.13Å; E494-A498 VanDerWaalsContact O-CB 3.29Å; E494-A498 WeakPolarHBondContact O-CB 3.24Å; E494-A498 PolarHBondContact O-N 2.88Å |
| 495 | E | 53.6 | Low | 53.6 | Low | 153 Ų | 153 | 118.4 Ų | 118.4 | 72% | 0.715 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.8 | -33.7 | 175.6 | -86.1 | -154.1 | 155.6 | 0 | 0 | 113.7 | T491 A492 K499 | T491-E495 PolarHBondContact O-N 2.79Å; A492-E495 PolarHBondContact O-N 3.46Å; E495-K499 PolarHBondContact O-N 2.9Å |
| 496 | E | 58.1 | Low | 54 | Low | 129 Ų | 129 | 118.2 Ų | 118.2 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.2 | -44 | 172.9 | -73.8 | -96.1 | 112.9 | 0 | 0 | 110.9 | A492 A498 K499 E500 | A492-E496 PolarHBondContact O-N 2.71Å; A492-E496 VanDerWaalsContact O-N 3.12Å; E496-A498 PolarHBondContact O-N 3.28Å; E496-K499 WeakPolarHBondContact O-CA 3.47Å; E496-K499 WeakPolarHBondContact O-CB 3.42Å; E496-K499 PolarHBondContact O-N 2.89Å; E496-E500 PolarHBondContact O-N 2.93Å |
| 497 | A | 58.8 | Low | 54.4 | Low | 55 Ų | 55 | 123.4 Ų | 123.4 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.7 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E493 K499 E500 E501 | E493-A497 WeakPolarHBondContact O-CB 3.41Å; E493-A497 PolarHBondContact O-N 3.19Å; A497-K499 PolarHBondContact O-N 3.48Å; A497-E500 PolarHBondContact O-N 2.98Å; A497-E501 PolarHBondContact O-N 2.91Å; A497-E501 VanDerWaalsContact O-N 3.08Å |
| 498 | A | 58.5 | Low | 54.6 | Low | 61 Ų | 61 | 124 Ų | 124 | 50% | 0.504 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.4 | -21.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E494 E496 S502 | E494-A498 VanDerWaalsContact O-CB 3.29Å; E494-A498 WeakPolarHBondContact O-CB 3.24Å; E494-A498 PolarHBondContact O-N 2.88Å; E496-A498 PolarHBondContact O-N 3.28Å; A498-S502 WeakPolarHBondContact O-CB 3.39Å; A498-S502 PolarHBondContact O-N 3.33Å |
| 499 | K | 61.6 | Low | 54.7 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.4 | -47.3 | 173 | -116.4 | 173.9 | -176.1 | 166.1 | 0 | 111.6 | E495 E496 A497 S502 E503 | E495-K499 PolarHBondContact O-N 2.9Å; E496-K499 WeakPolarHBondContact O-CA 3.47Å; E496-K499 WeakPolarHBondContact O-CB 3.42Å; E496-K499 PolarHBondContact O-N 2.89Å; A497-K499 PolarHBondContact O-N 3.48Å; K499-S502 CarbonylContact O-C 3.57Å; K499-S502 WeakPolarHBondContact O-CA 3.16Å; K499-S502 WeakPolarHBondContact O-CB 3.36Å; K499-S502 PolarHBondContact O-N 3.2Å; K499-S502 PolarHBondContact O-OG 2.87Å; K499-E503 PolarHBondContact O-N 3.47Å |
| 500 | E | 59.6 | Low | 54.6 | Low | 149 Ų | 149 | 125.4 Ų | 125.4 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61 | -45.2 | 177.8 | -70.1 | -164.3 | 146.9 | 0 | 0 | 111.2 | E496 A497 S502 E503 E504 | E496-E500 PolarHBondContact O-N 2.93Å; A497-E500 PolarHBondContact O-N 2.98Å; E500-S502 PolarHBondContact O-N 3.3Å; E500-E503 PolarHBondContact O-N 3.23Å; E500-E503 VanDerWaalsContact O-N 3.16Å; E500-E504 PolarHBondContact O-N 2.92Å |
| 501 | E | 56.5 | Low | 54.3 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.3 | -29.7 | 172.5 | -80.2 | -162.9 | 154.6 | 0 | 0 | 112.6 | A497 A505 | A497-E501 PolarHBondContact O-N 2.91Å; A497-E501 VanDerWaalsContact O-N 3.08Å; E501-A505 WeakPolarHBondContact O-CB 3.38Å; E501-A505 PolarHBondContact O-N 3.09Å; E501-A505 VanDerWaalsContact O-N 3.08Å |
| 502 | S | 56.2 | Low | 54.1 | Low | 62 Ų | 62 | 119 Ų | 119 | 43% | 0.434 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -81.2 | -23 | 179 | 83.6 | 0 | 0 | 0 | 0 | 114.6 | A498 K499 E500 | A498-S502 WeakPolarHBondContact O-CB 3.39Å; A498-S502 PolarHBondContact O-N 3.33Å; K499-S502 CarbonylContact O-C 3.57Å; K499-S502 WeakPolarHBondContact O-CA 3.16Å; K499-S502 WeakPolarHBondContact O-CB 3.36Å; K499-S502 PolarHBondContact O-N 3.2Å; K499-S502 PolarHBondContact O-OG 2.87Å; E500-S502 PolarHBondContact O-N 3.3Å |
| 503 | E | 56.2 | Low | 53.7 | Low | 141 Ų | 141 | 125.1 Ų | 125.1 | 66% | 0.659 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -84.3 | -40.2 | 171.1 | -68.7 | -160.2 | 146.9 | 0 | 0 | 110.7 | K499 E500 A505 K506 E507 | K499-E503 PolarHBondContact O-N 3.47Å; E500-E503 PolarHBondContact O-N 3.23Å; E500-E503 VanDerWaalsContact O-N 3.16Å; E503-A505 PolarHBondContact O-N 3.48Å; E503-K506 WeakPolarHBondContact O-CB 3.38Å; E503-K506 PolarHBondContact O-N 2.91Å; E503-E507 PolarHBondContact O-N 3.1Å |
| 504 | E | 55.2 | Low | 53.2 | Low | 143 Ų | 143 | 120.2 Ų | 120.2 | 67% | 0.668 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.5 | -40.8 | 175.7 | -155.8 | 171.8 | -143.9 | 0 | 0 | 111.3 | E500 K506 E507 E508 | E500-E504 PolarHBondContact O-N 2.92Å; E504-K506 PolarHBondContact O-N 2.82Å; E504-E507 PolarHBondContact O-N 2.75Å; E504-E508 PolarHBondContact O-N 2.84Å; E504-E508 VanDerWaalsContact O-N 3.1Å |
| 505 | A | 54.3 | Low | 52.9 | Low | 62 Ų | 62 | 121 Ų | 121 | 51% | 0.512 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.2 | -20.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E501 E503 E509 | E501-A505 WeakPolarHBondContact O-CB 3.38Å; E501-A505 PolarHBondContact O-N 3.09Å; E501-A505 VanDerWaalsContact O-N 3.08Å; E503-A505 PolarHBondContact O-N 3.48Å; A505-E509 PolarHBondContact O-N 3.49Å |
| 506 | K | 53.6 | Low | 52.5 | Low | 147 Ų | 147 | 121.6 Ų | 121.6 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85.6 | -35.6 | 173.7 | -92.8 | 179.8 | 174.3 | 174.3 | 0 | 112.9 | E503 E504 E508 E509 E510 | E503-K506 WeakPolarHBondContact O-CB 3.38Å; E503-K506 PolarHBondContact O-N 2.91Å; E504-K506 PolarHBondContact O-N 2.82Å; K506-E508 VanDerWaalsContact C-N 3.3Å; K506-E509 PolarHBondContact O-N 3.2Å; K506-E510 PolarHBondContact O-N 3.07Å |
| 507 | E | 52 | Low | 51.8 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.6 | -31.9 | 173.3 | -67.6 | -156.3 | 156.8 | 0 | 0 | 111.5 | E503 E504 G511 | E503-E507 PolarHBondContact O-N 3.1Å; E504-E507 PolarHBondContact O-N 2.75Å; E507-G511 PolarHBondContact O-N 2.87Å |
| 508 | E | 52.7 | Low | 51.2 | Low | 161 Ų | 161 | 121.7 Ų | 121.7 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.9 | -33.8 | 169.5 | -71.1 | -153.5 | 151.8 | 0 | 0 | 113.3 | E504 K506 G512 | E504-E508 PolarHBondContact O-N 2.84Å; E504-E508 VanDerWaalsContact O-N 3.1Å; K506-E508 VanDerWaalsContact C-N 3.3Å; E508-G512 PolarHBondContact O-N 3.32Å |
| 509 | E | 50.7 | Low | 50.7 | Low | 155 Ų | 155 | 126.6 Ų | 126.6 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.3 | -39 | 177.9 | -139.9 | 178.2 | -156 | 0 | 0 | 112.3 | A505 K506 G511 G512 | A505-E509 PolarHBondContact O-N 3.49Å; K506-E509 PolarHBondContact O-N 3.2Å; E509-G511 VanDerWaalsContact C-N 3.35Å; E509-G512 PolarHBondContact O-N 2.79Å |
| 510 | E | 48.5 | Very low | 49.9 | Very low | 179 Ų | 179 | 125 Ų | 125 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.5 | -23.7 | 171.7 | -72.6 | -161.3 | 165.2 | 0 | 0 | 113.2 | K506 | K506-E510 PolarHBondContact O-N 3.07Å |
| 511 | G | 43.3 | Very low | 49.3 | Very low | 48 Ų | 48 | 124.9 Ų | 124.9 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.2 | -31.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E507 E509 G514 | E507-G511 PolarHBondContact O-N 2.87Å; E509-G511 VanDerWaalsContact C-N 3.35Å; G511-G514 PolarHBondContact O-N 2.92Å |
| 512 | G | 45.3 | Very low | 49 | Very low | 50 Ų | 50 | 125.1 Ų | 125.1 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.8 | -31.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E508 E509 G514 | E508-G512 PolarHBondContact O-N 3.32Å; E509-G512 PolarHBondContact O-N 2.79Å; G512-G514 PolarHBondContact O-N 2.87Å |
| 513 | E | 44.3 | Very low | 48.7 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -2.5 | 179.2 | -63.9 | -160.3 | 150.2 | 0 | 0 | 113.6 | ||
| 514 | G | 44.5 | Very low | 48.2 | Very low | 52 Ų | 52 | 124 Ų | 124 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -36.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G511 G512 | G511-G514 PolarHBondContact O-N 2.92Å; G512-G514 PolarHBondContact O-N 2.87Å |
| 515 | E | 46.8 | Very low | 48 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -30.4 | -169.4 | -75 | -167 | 138.8 | 0 | 0 | 115 | G517 E518 | E515-G517 PolarHBondContact O-N 3.1Å; E515-G517 VanDerWaalsContact O-N 3.13Å; E515-E518 PolarHBondContact O-N 3.31Å |
| 516 | E | 46.2 | Very low | 47.9 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.5 | -13.4 | 178 | -65.5 | -158.7 | 157 | 0 | 0 | 113.4 | T520 | E516-T520 PolarHBondContact O-OG1 3.29Å |
| 517 | G | 43.8 | Very low | 47.7 | Very low | 35 Ų | 35 | 127.8 Ų | 127.8 | 36% | 0.361 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -84 | -10.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | E515 | E515-G517 PolarHBondContact O-N 3.1Å; E515-G517 VanDerWaalsContact O-N 3.13Å |
| 518 | E | 45.5 | Very low | 47.7 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -104.6 | -41.1 | 178 | -89.2 | -168.7 | 149.3 | 0 | 0 | 113.7 | E515 T520 K521 E522 | E515-E518 PolarHBondContact O-N 3.31Å; E518-T520 PolarHBondContact O-N 2.91Å; E518-K521 PolarHBondContact O-N 3.11Å; E518-E522 PolarHBondContact O-N 3.32Å |
| 519 | E | 47.9 | Very low | 47.5 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59.6 | -32.9 | 177.6 | -72.6 | -157.5 | 144.1 | 0 | 0 | 112.7 | K521 A523 | E519-K521 VanDerWaalsContact C-N 3.27Å; E519-K521 PolarHBondContact O-N 3.15Å; E519-A523 PolarHBondContact O-N 3.42Å |
| 520 | T | 45.4 | Very low | 47.6 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71 | -16.9 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | E516 E518 | E516-T520 PolarHBondContact O-OG1 3.29Å; E518-T520 PolarHBondContact O-N 2.91Å |
| 521 | K | 47 | Very low | 47.7 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -92.8 | -34.9 | 174.5 | -76.6 | 174.9 | -173.6 | 141.3 | 0 | 113.3 | E518 E519 A523 E524 E525 | E518-K521 PolarHBondContact O-N 3.11Å; E519-K521 VanDerWaalsContact C-N 3.27Å; E519-K521 PolarHBondContact O-N 3.15Å; K521-A523 VanDerWaalsContact C-N 3.32Å; K521-E524 PolarHBondContact O-N 2.9Å; K521-E525 PolarHBondContact O-N 3.16Å |
| 522 | E | 49.7 | Very low | 48.1 | Very low | 156 Ų | 156 | 124 Ų | 124 | 73% | 0.729 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 174.9 | -64.6 | -150.7 | 140.7 | 0 | 0 | 111.5 | E518 E525 E526 | E518-E522 PolarHBondContact O-N 3.32Å; E522-E525 PolarHBondContact O-N 3.19Å; E522-E526 PolarHBondContact O-N 3Å; E522-E526 VanDerWaalsContact O-N 3.12Å |
| 523 | A | 49.2 | Very low | 48.4 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 51% | 0.512 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E519 K521 E526 E527 | E519-A523 PolarHBondContact O-N 3.42Å; K521-A523 VanDerWaalsContact C-N 3.32Å; A523-E526 PolarHBondContact O-N 3Å; A523-E527 PolarHBondContact O-N 2.89Å |
| 524 | E | 47 | Very low | 48.7 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 55% | 0.547 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.8 | -26.3 | 176.9 | -100.8 | -146.5 | 104.1 | 0 | 0 | 113.5 | K521 K528 | K521-E524 PolarHBondContact O-N 2.9Å; E524-K528 IonicContact OE1-NZ 3.24Å; E524-K528 PolarHBondContact OE1-NZ 3.47Å |
| 525 | E | 50.3 | Low | 49 | Very low | 133 Ų | 133 | 124 Ų | 124 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78 | -29.5 | 173.9 | -84.9 | -137.6 | 155.1 | 0 | 0 | 113.4 | K521 E522 K529 | K521-E525 PolarHBondContact O-N 3.16Å; E522-E525 PolarHBondContact O-N 3.19Å; E525-K529 PolarHBondContact O-N 3.38Å; E525-K529 IonicContact OE2-NZ 2.81Å |
| 526 | E | 51.7 | Low | 49.2 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.5 | -45.1 | 173.5 | -76.8 | -130.9 | 126.2 | 0 | 0 | 112.4 | E522 A523 K528 K529 V530 | E522-E526 PolarHBondContact O-N 3Å; E522-E526 VanDerWaalsContact O-N 3.12Å; A523-E526 PolarHBondContact O-N 3Å; E526-K528 VanDerWaalsContact C-N 3.34Å; E526-K528 PolarHBondContact O-N 3.41Å; E526-K529 PolarHBondContact O-N 3.05Å; E526-V530 PolarHBondContact O-N 3.24Å |
| 527 | E | 50 | Low | 49.5 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.4 | -40.1 | 178.6 | -83.6 | -160.3 | 142.1 | 0 | 0 | 112.4 | A523 K529 V530 E531 | A523-E527 PolarHBondContact O-N 2.89Å; E527-K529 VanDerWaalsContact C-N 3.26Å; E527-K529 PolarHBondContact O-N 3.42Å; E527-V530 PolarHBondContact O-N 3.25Å; E527-V530 VanDerWaalsContact O-N 3.15Å; E527-E531 PolarHBondContact O-N 3.41Å |
| 528 | K | 51.2 | Low | 49.8 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 61% | 0.613 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.9 | -21.9 | 175.6 | -82.8 | 172.3 | -177.5 | 125.3 | 0 | 114 | E524 E526 | E524-K528 IonicContact OE1-NZ 3.24Å; E524-K528 PolarHBondContact OE1-NZ 3.47Å; E526-K528 VanDerWaalsContact C-N 3.34Å; E526-K528 PolarHBondContact O-N 3.41Å |
| 529 | K | 49.8 | Very low | 50.2 | Low | 143 Ų | 143 | 123.7 Ų | 123.7 | 62% | 0.622 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.2 | -27.1 | 172.2 | -90.1 | 170.2 | -175.9 | 142.1 | 0 | 113.2 | E525 E526 E527 | E525-K529 PolarHBondContact O-N 3.38Å; E525-K529 IonicContact OE2-NZ 2.81Å; E526-K529 PolarHBondContact O-N 3.05Å; E527-K529 VanDerWaalsContact C-N 3.26Å; E527-K529 PolarHBondContact O-N 3.42Å |
| 530 | V | 53 | Low | 50.6 | Low | 111 Ų | 111 | 124.9 Ų | 124.9 | 67% | 0.673 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.2 | -42.4 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | E526 E527 A533 | E526-V530 PolarHBondContact O-N 3.24Å; E527-V530 PolarHBondContact O-N 3.25Å; E527-V530 VanDerWaalsContact O-N 3.15Å; V530-A533 PolarHBondContact O-N 3.48Å |
| 531 | E | 50.3 | Low | 50.9 | Low | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.1 | -37 | 177.5 | -66.7 | -153.9 | 133.6 | 0 | 0 | 112.8 | E527 A533 G534 | E527-E531 PolarHBondContact O-N 3.41Å; E531-A533 PolarHBondContact O-N 3.12Å; E531-G534 PolarHBondContact O-N 3.34Å; E531-G534 VanDerWaalsContact O-N 3.14Å |
| 532 | G | 51.2 | Low | 51.1 | Low | 62 Ų | 62 | 132.5 Ų | 132.5 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -20.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 533 | A | 51 | Low | 51 | Low | 61 Ų | 61 | 136.8 Ų | 136.8 | 50% | 0.504 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | -11.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V530 E531 | V530-A533 PolarHBondContact O-N 3.48Å; E531-A533 PolarHBondContact O-N 3.12Å |
| 534 | G | 51.6 | Low | 51.1 | Low | 51 Ų | 51 | 140.5 Ų | 140.5 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -37.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E531 | E531-G534 PolarHBondContact O-N 3.34Å; E531-G534 VanDerWaalsContact O-N 3.14Å |
| 535 | E | 50.3 | Low | 51.3 | Low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -81.1 | -26.9 | -173.6 | -70.5 | -160.2 | 124.3 | 0 | 0 | 114.3 | Q537 | E535-Q537 VanDerWaalsContact C-N 3.34Å; E535-Q537 PolarHBondContact O-N 2.57Å |
| 536 | E | 51.2 | Low | 51.3 | Low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.5 | -15.4 | -176.4 | -147.6 | -177.3 | 173.3 | 0 | 0 | 113.9 | ||
| 537 | Q | 53 | Low | 51.3 | Low | 165 Ų | 165 | 141.9 Ų | 141.9 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -94.1 | -15.8 | 176.4 | -64 | -162.4 | 27.5 | 0 | 0 | 114.6 | E535 | E535-Q537 VanDerWaalsContact C-N 3.34Å; E535-Q537 PolarHBondContact O-N 2.57Å |
| 538 | A | 50.3 | Low | 51.4 | Low | 84 Ų | 84 | 141.3 Ų | 141.3 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -75.4 | -24.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K540 | A538-K540 PolarHBondContact O-N 3.19Å |
| 539 | A | 53.6 | Low | 51.4 | Low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 3.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 540 | K | 54.8 | Low | 51.5 | Low | 190 Ų | 190 | 141.2 Ų | 141.2 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 18.1 | -171.2 | -132.9 | 171.2 | -169.6 | 167.5 | 0 | 116.3 | A538 | A538-K540 PolarHBondContact O-N 3.19Š|
| 541 | K | 51.8 | Low | 51.4 | Low | 196 Ų | 196 | 143.5 Ų | 143.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -136.2 | 64.1 | 171.1 | -91.4 | -176.4 | 175 | 171.7 | 0 | 111.9 | ||
| 542 | K | 51.4 | Low | 51.5 | Low | 205 Ų | 205 | 141.6 Ų | 141.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -161 | 68.3 | 161.8 | -115.7 | 174.6 | -173.8 | 177.1 | 0 | 111.6 | ||||
| 543 | D | 47.8 | Very low | 51.5 | Low | 246 Ų | 246 | 148.8 Ų | 148.8 | 100% | 1.316 | 80% | 0.797 | S | S | * | * | trans | -142.9 | 0 | 152.2 | -91.1 | -36.5 | 0 | 0 | 0 | 106.9 |
Retrieved 543 of 543 residues in 1014.9 ms
(Link to these results)