| 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 | 50 | Low | 47.2 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 100% | 1.177 | 80% | 0.801 | S | S | * | * | 0 | 66.9 | 0 | -63.9 | -175.4 | 140 | 0 | 0 | 104.4 | |||||
| 2 | D | 43.8 | Very low | 47 | Very low | 144 Ų | 144 | 158.3 Ų | 158.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | 64.9 | 148.2 | 66.2 | -142.4 | -78 | 0 | 0 | 0 | 111.3 | |||||
| 3 | E | 58.9 | Low | 46.7 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | 76 | 112.7 | -159.2 | -38.9 | -64.9 | 119.7 | 0 | 0 | 113.7 | ||||
| 4 | G | 50.9 | Low | 46.3 | Very low | 81 Ų | 81 | 153.6 Ų | 153.6 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | cis | 160.7 | 105.6 | 6.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | I | 47.8 | Very low | 46.2 | Very low | 167 Ų | 167 | 154 Ų | 154 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -88.9 | 161.6 | 164.4 | -24.2 | 168.3 | 0 | 0 | 0 | 105.8 | ||||
| 6 | P | 47.1 | Very low | 46.2 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -150.8 | -156.5 | 25.6 | 38.9 | -12.8 | 0 | 0 | 0 | 115.2 | ||||
| 7 | H | 41.5 | Very low | 46.2 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 91.6 | 91.4 | 170.9 | -103 | -91.6 | 0 | 0 | 0 | 117.4 | E10 | H7-E10 IonicContact CE1-OE2 2.7Å; H7-E10 PolarHBondContact CE1-OE2 3.13Å; H7-E10 IonicContact ND1-OE2 2.67Å | ||
| 8 | L | 42.7 | Very low | 46.3 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -162 | 30.9 | 132.2 | -100.5 | -179.7 | 0 | 0 | 0 | 112.4 | E10 R11 | L8-E10 PolarHBondContact O-N 3.31Å; L8-R11 HydrophobicContact CD2-CB 4.38Å | ||
| 9 | Q | 45.4 | Very low | 46.2 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -2 | 171.5 | -157.8 | 94.1 | 37.3 | 0 | 0 | 112.5 | ||
| 10 | E | 47.9 | Very low | 46.6 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 61% | 0.607 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -5.5 | -170.5 | -161.1 | 160 | -170 | 0 | 0 | 114.5 | H7 L8 | H7-E10 IonicContact CE1-OE2 2.7Å; H7-E10 PolarHBondContact CE1-OE2 3.13Å; H7-E10 IonicContact ND1-OE2 2.67Å; L8-E10 PolarHBondContact O-N 3.31Å |
| 11 | R | 43.6 | Very low | 46.5 | Very low | 190 Ų | 190 | 151.6 Ų | 151.6 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -85.2 | -16.1 | -179.4 | -156.4 | -178 | 173.2 | 136.7 | 3.1 | 114.1 | L8 | L8-R11 HydrophobicContact CD2-CB 4.38Š|
| 12 | Q | 44 | Very low | 46.5 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -7.7 | -170.8 | -147.4 | 167 | 1.3 | 0 | 0 | 114.2 | ||
| 13 | L | 43 | Very low | 46.6 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -11.6 | 179.4 | -122.5 | 168.8 | 0 | 0 | 0 | 113.5 | ||
| 14 | L | 41.6 | Very low | 46.3 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 54% | 0.539 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -23.4 | 179.6 | -164 | 58.2 | 0 | 0 | 0 | 113.1 | H16 R17 | L14-H16 PolarHBondContact O-N 3.06Å; L14-H16 VanDerWaalsContact O-N 3.16Å; L14-R17 PolarHBondContact O-N 2.87Å |
| 15 | E | 44.9 | Very low | 46.2 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.8 | 174.6 | -70.4 | -101.5 | 125.8 | 0 | 0 | 113.4 | ||
| 16 | H | 46.8 | Very low | 46.4 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -2.8 | 179.2 | -145.4 | 16.9 | 0 | 0 | 0 | 114.5 | L14 | L14-H16 PolarHBondContact O-N 3.06Å; L14-H16 VanDerWaalsContact O-N 3.16Å |
| 17 | R | 46.3 | Very low | 47.1 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -12.5 | -177.6 | -121.6 | 174.1 | 89.8 | 165.4 | 4.4 | 115.5 | L14 | L14-R17 PolarHBondContact O-N 2.87Š|
| 18 | D | 47.2 | Very low | 47.7 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -98.2 | -1.3 | -177.9 | -63.4 | -29.2 | 0 | 0 | 0 | 114.2 | I20 | D18-I20 VanDerWaalsContact C-N 3.27Å; D18-I20 PolarHBondContact O-N 3.13Å |
| 19 | F | 43.8 | Very low | 48.2 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 77% | 0.768 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -80.9 | -5.1 | 170.5 | -152.8 | -98.6 | 0 | 0 | 0 | 113.4 | ||
| 20 | I | 54.1 | Low | 48.2 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -97.1 | 0.7 | 178.4 | -59.9 | 167.7 | 0 | 0 | 0 | 111.3 | D18 | D18-I20 VanDerWaalsContact C-N 3.27Å; D18-I20 PolarHBondContact O-N 3.13Å |
| 21 | G | 46.2 | Very low | 48.3 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -94.9 | 7.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D23 | G21-D23 PolarHBondContact O-N 3.49Š| ||
| 22 | L | 50.3 | Low | 48.9 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -78.9 | 106.5 | 171.1 | -88.5 | 152.9 | 0 | 0 | 0 | 109 | Y24 | L22-Y24 WeakPolarHBondContact O-CD2 3.48Å; L22-Y24 PolarHBondContact O-N 3.41Å |
| 23 | D | 45.5 | Very low | 49.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | -35.2 | 103.3 | 166.3 | -178.2 | -50.8 | 0 | 0 | 0 | 111.4 | G21 S25 | G21-D23 PolarHBondContact O-N 3.49Å; D23-S25 PolarHBondContact O-N 2.97Å; D23-S25 VanDerWaalsContact OD1-CA 3.27Å; D23-S25 WeakPolarHBondContact OD1-CA 3.44Å; D23-S25 WeakPolarHBondContact OD1-CB 3.32Å; D23-S25 PolarHBondContact OD1-N 3.04Å | ||
| 24 | Y | 51.1 | Low | 50 | Low | 188 Ų | 188 | 148.7 Ų | 148.7 | 74% | 0.737 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 21.5 | 172.4 | -101.2 | -90 | 0 | 0 | 0 | 111.4 | L22 L27 | L22-Y24 WeakPolarHBondContact O-CD2 3.48Å; L22-Y24 PolarHBondContact O-N 3.41Å; Y24-L27 HydrophobicContact CD1-CD1 3.86Å; Y24-L27 HydrophobicContact CE1-CD1 3.88Å |
| 25 | S | 50 | Low | 50.2 | Low | 103 Ų | 103 | 149.1 Ų | 149.1 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -3.4 | -179 | -79.8 | 0 | 0 | 0 | 0 | 114.1 | D23 | D23-S25 PolarHBondContact O-N 2.97Å; D23-S25 VanDerWaalsContact OD1-CA 3.27Å; D23-S25 WeakPolarHBondContact OD1-CA 3.44Å; D23-S25 WeakPolarHBondContact OD1-CB 3.32Å; D23-S25 PolarHBondContact OD1-N 3.04Å |
| 26 | S | 52.6 | Low | 51 | Low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -94 | 4.2 | 173.1 | -167.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 27 | L | 60 | Low | 51.4 | Low | 129 Ų | 129 | 150 Ų | 150 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -93.4 | 5.1 | 178.4 | -65.8 | -179.9 | 0 | 0 | 0 | 114.4 | Y24 | Y24-L27 HydrophobicContact CD1-CD1 3.86Å; Y24-L27 HydrophobicContact CE1-CD1 3.88Å |
| 28 | Y | 55.4 | Low | 51.8 | Low | 203 Ų | 203 | 152 Ų | 152 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -111.9 | 35.6 | -176 | -106.6 | -88.7 | 0 | 0 | 0 | 114.4 | ||
| 29 | M | 52.8 | Low | 52.4 | Low | 169 Ų | 169 | 151.7 Ų | 151.7 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | -142.1 | 46.7 | 169.7 | -82.8 | -60 | 145.3 | 0 | 0 | 113 | ||||
| 30 | C | 45.6 | Very low | 53.2 | Low | 118 Ų | 118 | 147.2 Ų | 147.2 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -106.6 | 99.9 | 165 | -80.9 | 0 | 0 | 0 | 0 | 109.2 | P32 | C30-P32 WeakPolarHBondContact O-CD 3.42Š| ||
| 31 | K | 50.5 | Low | 53.6 | Low | 188 Ų | 188 | 145.2 Ų | 145.2 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | -62.4 | 113.2 | 172.4 | -63 | -137 | 175 | -177.2 | 0 | 109.3 | K33 | K31-K33 PolarHBondContact O-N 3.36Š| ||
| 32 | P | 55.6 | Low | 54.6 | Low | 135 Ų | 135 | 148.9 Ų | 148.9 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -84.6 | 91.4 | 176.9 | 10.2 | 8.4 | 0 | 0 | 0 | 107.6 | C30 | C30-P32 WeakPolarHBondContact O-CD 3.42Š| ||
| 33 | K | 50.2 | Low | 55.5 | Low | 173 Ų | 173 | 146.1 Ų | 146.1 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -116.4 | 86.7 | 169.1 | -159.7 | -179.7 | -174.6 | 174.2 | 0 | 108.9 | K31 | K31-K33 PolarHBondContact O-N 3.36Š| ||
| 34 | R | 59.2 | Low | 56.7 | Low | 224 Ų | 224 | 144.4 Ų | 144.4 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 153.8 | 103.7 | 146.5 | -82.9 | 168.5 | -146.7 | 104 | -12.8 | 109.8 | ||
| 35 | S | 46.2 | Very low | 57.7 | Low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | 53.7 | 73.4 | 144.5 | -47.1 | 0 | 0 | 0 | 0 | 118.9 | K37 | S35-K37 PolarHBondContact O-N 3.03Š| ||
| 36 | L | 61.8 | Low | 59 | Low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -79.9 | 86.7 | 154.5 | -167.3 | 75.1 | 0 | 0 | 0 | 108 | D40 | L36-D40 WeakPolarHBondContact CD1-OD2 3.38Š| ||
| 37 | K | 55.1 | Low | 60.3 | Low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -112.1 | 94.7 | 172.9 | -84.7 | -134.6 | 174.6 | -176.1 | 0 | 109.6 | S35 D39 | S35-K37 PolarHBondContact O-N 3.03Å; K37-D39 PolarHBondContact O-N 2.97Å | ||
| 38 | R | 55.7 | Low | 61.8 | Low | 237 Ų | 237 | 140.6 Ų | 140.6 | 89% | 0.894 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 60.3 | 51.7 | 138.9 | -155.9 | -176.4 | -169.5 | 149.9 | 4.2 | 117.5 | ||
| 39 | D | 59 | Low | 63.6 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -141.6 | -7.6 | 163.7 | -123.6 | -77.7 | 0 | 0 | 0 | 115.3 | K37 T41 K42 | K37-D39 PolarHBondContact O-N 2.97Å; D39-T41 VanDerWaalsContact C-N 3.32Å; D39-T41 PolarHBondContact O-N 3.23Å; D39-K42 PolarHBondContact O-N 3.43Å | ||
| 40 | D | 61.3 | Low | 65.6 | Low | 80 Ų | 80 | 137.8 Ų | 137.8 | 43% | 0.428 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.6 | -12.3 | -169.3 | -54.6 | -92.1 | 0 | 0 | 0 | 116.4 | L36 K42 D43 T44 | L36-D40 WeakPolarHBondContact CD1-OD2 3.38Å; D40-K42 PolarHBondContact O-N 3.44Å; D40-D43 PolarHBondContact O-N 3.1Å; D40-T44 PolarHBondContact O-N 3.32Å; D40-T44 PolarHBondContact O-OG1 3.48Å |
| 41 | T | 62.5 | Low | 67.9 | Low | 108 Ų | 108 | 137.6 Ų | 137.6 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.4 | -35.6 | 178.5 | -43.6 | 0 | 0 | 0 | 0 | 110.7 | D39 Y45 | D39-T41 VanDerWaalsContact C-N 3.32Å; D39-T41 PolarHBondContact O-N 3.23Å; T41-Y45 HydrophobicContact CG2-CE2 4.22Å; T41-Y45 WeakPolarHBondContact O-CD2 3.37Å |
| 42 | K | 65.9 | Low | 70 | Confident | 144 Ų | 144 | 134.2 Ų | 134.2 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.3 | -35.2 | 178.8 | -156.5 | 178.8 | 178.4 | 176.5 | 0 | 111.6 | D39 D40 K46 | D39-K42 PolarHBondContact O-N 3.43Å; D40-K42 PolarHBondContact O-N 3.44Å; K42-K46 VanDerWaalsContact O-CG 3.26Å; K42-K46 WeakPolarHBondContact O-CG 3.38Å; K42-K46 PolarHBondContact O-N 2.96Å |
| 43 | D | 69.8 | Low | 72 | Confident | 66 Ų | 66 | 130 Ų | 130 | 35% | 0.353 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -75 | -29.8 | 179.7 | -65.8 | -54.3 | 0 | 0 | 0 | 113 | D40 Y45 K46 L47 | D40-D43 PolarHBondContact O-N 3.1Å; D43-Y45 VanDerWaalsContact C-N 3.34Å; D43-Y45 PolarHBondContact O-N 3.3Å; D43-K46 PolarHBondContact O-N 3.49Å; D43-K46 VanDerWaalsContact O-N 3.15Å; D43-K46 WeakPolarHBondContact OD1-CD 3.5Å; D43-K46 WeakPolarHBondContact OD1-CE 3.17Å; D43-K46 IonicContact OD1-NZ 3.91Å; D43-K46 PolarHBondContact OD1-NZ 2.89Å; D43-L47 PolarHBondContact O-N 2.81Å; D43-L47 VanDerWaalsContact O-N 3.07Å |
| 44 | T | 71.2 | Confident | 74.2 | Confident | 88 Ų | 88 | 127.5 Ų | 127.5 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.7 | -36.9 | 175 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | D40 P48 | D40-T44 PolarHBondContact O-N 3.32Å; D40-T44 PolarHBondContact O-OG1 3.48Å; T44-P48 WeakPolarHBondContact O-CD 3.3Å |
| 45 | Y | 71.1 | Confident | 76 | Confident | 180 Ų | 180 | 124.8 Ų | 124.8 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.1 | -27 | 172.3 | -68.7 | -76.1 | 0 | 0 | 0 | 113.3 | T41 D43 L47 P48 H49 | T41-Y45 HydrophobicContact CG2-CE2 4.22Å; T41-Y45 WeakPolarHBondContact O-CD2 3.37Å; D43-Y45 VanDerWaalsContact C-N 3.34Å; D43-Y45 PolarHBondContact O-N 3.3Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.19Å; Y45-P48 WeakPolarHBondContact O-CD 3.42Å; Y45-H49 WeakPolarHBondContact O-CB 3.41Å; Y45-H49 PolarHBondContact O-N 3.3Å |
| 46 | K | 77 | Confident | 78.4 | Confident | 97 Ų | 97 | 125.2 Ų | 125.2 | 42% | 0.422 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.1 | -30.3 | 175.7 | -72.1 | 173.8 | -146.6 | 164.6 | 0 | 112.5 | K42 D43 R50 | K42-K46 VanDerWaalsContact O-CG 3.26Å; K42-K46 WeakPolarHBondContact O-CG 3.38Å; K42-K46 PolarHBondContact O-N 2.96Å; D43-K46 PolarHBondContact O-N 3.49Å; D43-K46 VanDerWaalsContact O-N 3.15Å; D43-K46 WeakPolarHBondContact OD1-CD 3.5Å; D43-K46 WeakPolarHBondContact OD1-CE 3.17Å; D43-K46 IonicContact OD1-NZ 3.91Å; D43-K46 PolarHBondContact OD1-NZ 2.89Å; K46-R50 WeakPolarHBondContact O-CB 3.31Å; K46-R50 PolarHBondContact O-N 3.06Å |
| 47 | L | 80.6 | Confident | 80.2 | Confident | 105 Ų | 105 | 123.4 Ų | 123.4 | 55% | 0.55 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -54.8 | 178 | -79.7 | 160.5 | 0 | 0 | 0 | 112 | D43 Y45 H49 R50 L51 | D43-L47 PolarHBondContact O-N 2.81Å; D43-L47 VanDerWaalsContact O-N 3.07Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.19Å; L47-H49 PolarHBondContact O-N 3.48Å; L47-R50 PolarHBondContact O-N 3.11Å; L47-L51 VanDerWaalsContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CD1 3.34Å; L47-L51 PolarHBondContact O-N 2.95Å |
| 48 | P | 91.7 | Very high | 82.2 | Confident | 65 Ų | 65 | 118.4 Ų | 118.4 | 42% | 0.422 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 170.5 | -26.2 | 33.7 | 0 | 0 | 0 | 112.6 | T44 Y45 R50 L51 I52 | T44-P48 WeakPolarHBondContact O-CD 3.3Å; Y45-P48 WeakPolarHBondContact O-CD 3.42Å; P48-R50 VanDerWaalsContact C-N 3.32Å; P48-R50 PolarHBondContact O-N 2.86Å; P48-L51 PolarHBondContact O-N 3.24Å; P48-L51 VanDerWaalsContact O-N 3.16Å; P48-I52 WeakPolarHBondContact O-CB 3.49Å; P48-I52 WeakPolarHBondContact O-CD1 3.29Å; P48-I52 WeakPolarHBondContact O-CG1 3.32Å; P48-I52 PolarHBondContact O-N 3.39Å |
| 49 | H | 93.5 | Very high | 84.2 | Confident | 130 Ų | 130 | 114.7 Ų | 114.7 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 178.2 | -177.6 | -110.6 | 0 | 0 | 0 | 111.9 | Y45 L47 L51 I52 E53 | Y45-H49 WeakPolarHBondContact O-CB 3.41Å; Y45-H49 PolarHBondContact O-N 3.3Å; L47-H49 PolarHBondContact O-N 3.48Å; H49-L51 PolarHBondContact O-N 2.8Å; H49-I52 PolarHBondContact O-N 2.82Å; H49-E53 WeakPolarHBondContact O-CB 3.41Å; H49-E53 PolarHBondContact O-N 3.37Å |
| 50 | R | 93.6 | Very high | 86 | Confident | 183 Ų | 183 | 112.1 Ų | 112.1 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 176.4 | -175.4 | 179.4 | 174.7 | -177 | -1.3 | 112 | K46 L47 P48 K54 | K46-R50 WeakPolarHBondContact O-CB 3.31Å; K46-R50 PolarHBondContact O-N 3.06Å; L47-R50 PolarHBondContact O-N 3.11Å; P48-R50 VanDerWaalsContact C-N 3.32Å; P48-R50 PolarHBondContact O-N 2.86Å; R50-K54 VanDerWaalsContact O-CB 3.23Å; R50-K54 WeakPolarHBondContact O-CB 3.34Å; R50-K54 PolarHBondContact O-N 2.96Å |
| 51 | L | 95.4 | Very high | 87.7 | Confident | 115 Ų | 115 | 111.6 Ų | 111.6 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.4 | -45.3 | 176.5 | -93.6 | 73.5 | 0 | 0 | 0 | 111.9 | L47 P48 H49 K54 K55 | L47-L51 VanDerWaalsContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CD1 3.34Å; L47-L51 PolarHBondContact O-N 2.95Å; P48-L51 PolarHBondContact O-N 3.24Å; P48-L51 VanDerWaalsContact O-N 3.16Å; H49-L51 PolarHBondContact O-N 2.8Å; L51-K54 WeakPolarHBondContact O-CB 3.48Å; L51-K54 PolarHBondContact O-N 3.12Å; L51-K55 PolarHBondContact O-N 2.92Å |
| 52 | I | 94.2 | Very high | 89.4 | Confident | 116 Ų | 116 | 112.1 Ų | 112.1 | 60% | 0.595 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -48.3 | 177.8 | -67.7 | 163.2 | 0 | 0 | 0 | 110.2 | P48 H49 K54 K55 R56 | P48-I52 WeakPolarHBondContact O-CB 3.49Å; P48-I52 WeakPolarHBondContact O-CD1 3.29Å; P48-I52 WeakPolarHBondContact O-CG1 3.32Å; P48-I52 PolarHBondContact O-N 3.39Å; H49-I52 PolarHBondContact O-N 2.82Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.47Å; I52-K55 PolarHBondContact O-N 2.9Å; I52-R56 PolarHBondContact O-N 3.48Å |
| 53 | E | 96.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 108.1 Ų | 108.1 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 179.3 | 171.5 | 54.9 | -159.1 | 0 | 0 | 111.8 | H49 R56 R57 | H49-E53 WeakPolarHBondContact O-CB 3.41Å; H49-E53 PolarHBondContact O-N 3.37Å; E53-R56 PolarHBondContact O-N 2.92Å; E53-R56 IonicContact OE1-NH1 3.13Å; E53-R56 PolarHBondContact OE1-NH1 3.23Å; E53-R56 VanDerWaalsContact OE1-NH1 3.13Å; E53-R56 WeakPolarHBondContact OE2-CD 3.29Å; E53-R56 IonicContact OE2-CZ 2.81Å; E53-R56 IonicContact OE2-NH1 3.13Å; E53-R56 PolarHBondContact OE2-NH1 3.45Å; E53-R57 WeakPolarHBondContact O-CG 3.33Å; E53-R57 PolarHBondContact O-N 3.42Å; E53-R57 WeakPolarHBondContact OE1-CG 3.44Å; E53-R57 IonicContact OE1-CZ 2.78Å; E53-R57 IonicContact OE1-NH1 3.72Å; E53-R57 PolarHBondContact OE1-NH1 2.94Å |
| 54 | K | 96.1 | Very high | 92.1 | Very high | 121 Ų | 121 | 106 Ų | 106 | 53% | 0.526 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 169.5 | -177.3 | -177.3 | 174.8 | -172.4 | 0 | 110.8 | R50 L51 I52 R56 R57 D58 | R50-K54 VanDerWaalsContact O-CB 3.23Å; R50-K54 WeakPolarHBondContact O-CB 3.34Å; R50-K54 PolarHBondContact O-N 2.96Å; L51-K54 WeakPolarHBondContact O-CB 3.48Å; L51-K54 PolarHBondContact O-N 3.12Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.47Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 2.87Å; K54-R57 PolarHBondContact O-N 3.43Å; K54-R57 VanDerWaalsContact O-N 3.09Å; K54-D58 VanDerWaalsContact O-CG 3.25Å; K54-D58 PolarHBondContact O-N 2.87Å |
| 55 | K | 97.1 | Very high | 93.2 | Very high | 168 Ų | 168 | 104 Ų | 104 | 73% | 0.73 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.8 | -40.6 | 178 | -171.8 | 177.3 | -179.8 | -179.4 | 0 | 112.1 | L51 I52 D58 R59 | L51-K55 PolarHBondContact O-N 2.92Å; I52-K55 PolarHBondContact O-N 2.9Å; K55-D58 PolarHBondContact O-N 2.92Å; K55-R59 PolarHBondContact O-N 3.37Å; K55-R59 VanDerWaalsContact O-N 3.13Å |
| 56 | R | 98 | Very high | 94.4 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 173.4 | 175.9 | 178.5 | 161.2 | -92.7 | -4.6 | 111.8 | I52 E53 K54 R59 I60 | I52-R56 PolarHBondContact O-N 3.48Å; E53-R56 PolarHBondContact O-N 2.92Å; E53-R56 IonicContact OE1-NH1 3.13Å; E53-R56 PolarHBondContact OE1-NH1 3.23Å; E53-R56 VanDerWaalsContact OE1-NH1 3.13Å; E53-R56 WeakPolarHBondContact OE2-CD 3.29Å; E53-R56 IonicContact OE2-CZ 2.81Å; E53-R56 IonicContact OE2-NH1 3.13Å; E53-R56 PolarHBondContact OE2-NH1 3.45Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 2.87Å; R56-R59 PolarHBondContact O-N 3.04Å; R56-I60 HydrophobicContact CG-CD1 4.17Å; R56-I60 WeakPolarHBondContact O-CG1 3.45Å; R56-I60 PolarHBondContact O-N 3.24Å; R56-I60 VanDerWaalsContact O-N 3.13Å |
| 57 | R | 97.9 | Very high | 95.3 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 178.5 | -75.3 | -168.5 | -66.9 | -104.2 | 0.9 | 112.9 | E53 K54 I60 N61 | E53-R57 WeakPolarHBondContact O-CG 3.33Å; E53-R57 PolarHBondContact O-N 3.42Å; E53-R57 WeakPolarHBondContact OE1-CG 3.44Å; E53-R57 IonicContact OE1-CZ 2.78Å; E53-R57 IonicContact OE1-NH1 3.72Å; E53-R57 PolarHBondContact OE1-NH1 2.94Å; K54-R57 PolarHBondContact O-N 3.43Å; K54-R57 VanDerWaalsContact O-N 3.09Å; R57-I60 PolarHBondContact O-N 3.37Å; R57-N61 VanDerWaalsContact O-CG 3.27Å; R57-N61 PolarHBondContact O-N 3.42Å; R57-N61 PolarHBondContact O-ND2 2.93Å |
| 58 | D | 97.7 | Very high | 95.9 | Very high | 84 Ų | 84 | 96.6 Ų | 96.6 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 178.8 | -65.5 | -21.1 | 0 | 0 | 0 | 110.3 | K54 K55 I60 N61 E62 | K54-D58 VanDerWaalsContact O-CG 3.25Å; K54-D58 PolarHBondContact O-N 2.87Å; K55-D58 PolarHBondContact O-N 2.92Å; D58-I60 PolarHBondContact O-N 3.16Å; D58-N61 PolarHBondContact O-N 3.42Å; D58-E62 PolarHBondContact O-N 3.16Å |
| 59 | R | 98 | Very high | 95.9 | Very high | 159 Ų | 159 | 99.5 Ų | 99.5 | 60% | 0.6 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.2 | -44.8 | 173 | -172 | -177.8 | 69.7 | -155.1 | 3.3 | 113.1 | K55 R56 N61 E62 C63 | K55-R59 PolarHBondContact O-N 3.37Å; K55-R59 VanDerWaalsContact O-N 3.13Å; R56-R59 PolarHBondContact O-N 3.04Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.3Å; R59-E62 PolarHBondContact O-N 2.87Å; R59-C63 PolarHBondContact O-N 3.49Å; R59-C63 VanDerWaalsContact O-N 3.08Å; R59-C63 PolarHBondContact O-SG 2.88Å; R59-C63 VanDerWaalsContact O-SG 3.34Å |
| 60 | I | 97.3 | Very high | 96 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 33% | 0.333 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.6 | -69 | 168 | 0 | 0 | 0 | 110.9 | R56 R57 D58 E62 C63 I64 | R56-I60 HydrophobicContact CG-CD1 4.17Å; R56-I60 WeakPolarHBondContact O-CG1 3.45Å; R56-I60 PolarHBondContact O-N 3.24Å; R56-I60 VanDerWaalsContact O-N 3.13Å; R57-I60 PolarHBondContact O-N 3.37Å; D58-I60 PolarHBondContact O-N 3.16Å; I60-E62 VanDerWaalsContact C-N 3.34Å; I60-C63 PolarHBondContact O-N 3.43Å; I60-I64 HydrophobicContact CG2-CD1 3.83Å; I60-I64 HydrophobicContact CG2-CG1 4.48Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.19Å; I60-I64 PolarHBondContact O-N 3.19Å |
| 61 | N | 96.9 | Very high | 95.9 | Very high | 68 Ų | 68 | 91 Ų | 91 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 179.3 | -69.5 | -30.8 | 0 | 0 | 0 | 112 | R57 D58 R59 I64 A65 K85 | R57-N61 VanDerWaalsContact O-CG 3.27Å; R57-N61 PolarHBondContact O-N 3.42Å; R57-N61 PolarHBondContact O-ND2 2.93Å; D58-N61 PolarHBondContact O-N 3.42Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.3Å; N61-I64 PolarHBondContact O-N 2.94Å; N61-A65 PolarHBondContact O-N 2.86Å; N61-K85 WeakPolarHBondContact OD1-CE 3.45Å; N61-K85 PolarHBondContact OD1-NZ 3.44Å |
| 62 | E | 97.6 | Very high | 95.8 | Very high | 120 Ų | 120 | 86.8 Ų | 86.8 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | 173.8 | -176.4 | 173 | -152.6 | 0 | 0 | 111.6 | D58 R59 I60 I64 A65 Q66 | D58-E62 PolarHBondContact O-N 3.16Å; R59-E62 PolarHBondContact O-N 2.87Å; I60-E62 VanDerWaalsContact C-N 3.34Å; E62-I64 VanDerWaalsContact C-N 3.31Å; E62-I64 PolarHBondContact O-N 2.78Å; E62-A65 WeakPolarHBondContact O-CB 3.38Å; E62-A65 PolarHBondContact O-N 2.82Å; E62-A65 VanDerWaalsContact O-N 3.11Å; E62-Q66 WeakPolarHBondContact O-CG 3.27Å; E62-Q66 PolarHBondContact O-N 3.47Å |
| 63 | C | 97 | Very high | 95.6 | Very high | 59 Ų | 59 | 88.7 Ų | 88.7 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 175 | -62.8 | 0 | 0 | 0 | 0 | 112 | R59 I60 A65 Q66 L67 | R59-C63 PolarHBondContact O-N 3.49Å; R59-C63 VanDerWaalsContact O-N 3.08Å; R59-C63 PolarHBondContact O-SG 2.88Å; R59-C63 VanDerWaalsContact O-SG 3.34Å; I60-C63 PolarHBondContact O-N 3.43Å; C63-A65 VanDerWaalsContact C-N 3.32Å; C63-A65 PolarHBondContact O-N 3.4Å; C63-Q66 PolarHBondContact O-N 2.72Å; C63-L67 WeakPolarHBondContact O-CG 3.25Å; C63-L67 PolarHBondContact O-N 3.27Å |
| 64 | I | 95.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 92.9 Ų | 92.9 | 11% | 0.113 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | 177.1 | -67.3 | 167.5 | 0 | 0 | 0 | 111.2 | I60 N61 E62 L67 K68 K85 V88 | I60-I64 HydrophobicContact CG2-CD1 3.83Å; I60-I64 HydrophobicContact CG2-CG1 4.48Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.19Å; I60-I64 PolarHBondContact O-N 3.19Å; N61-I64 PolarHBondContact O-N 2.94Å; E62-I64 VanDerWaalsContact C-N 3.31Å; E62-I64 PolarHBondContact O-N 2.78Å; I64-L67 PolarHBondContact O-N 2.97Å; I64-K68 WeakPolarHBondContact O-CG 3.4Å; I64-K68 PolarHBondContact O-N 2.77Å; I64-K85 HydrophobicContact CD1-CD 4.04Å; I64-K85 HydrophobicContact CD1-CG 4.22Å; I64-K85 HydrophobicContact CG2-CG 4.49Å; I64-V88 HydrophobicContact CG2-CG1 4.33Å |
| 65 | A | 94.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 88.7 Ų | 88.7 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N61 E62 C63 L67 K68 D69 | N61-A65 PolarHBondContact O-N 2.86Å; E62-A65 WeakPolarHBondContact O-CB 3.38Å; E62-A65 PolarHBondContact O-N 2.82Å; E62-A65 VanDerWaalsContact O-N 3.11Å; C63-A65 VanDerWaalsContact C-N 3.32Å; C63-A65 PolarHBondContact O-N 3.4Å; A65-L67 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 3.31Å; A65-K68 VanDerWaalsContact O-CB 3.29Å; A65-K68 WeakPolarHBondContact O-CB 3.34Å; A65-K68 PolarHBondContact O-N 3.3Å; A65-K68 VanDerWaalsContact O-N 3.12Å; A65-D69 PolarHBondContact O-N 2.93Å |
| 66 | Q | 96.2 | Very high | 94.3 | Very high | 109 Ų | 109 | 83.3 Ų | 83.3 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 174.2 | -68.2 | 173.6 | -22.9 | 0 | 0 | 112.2 | E62 C63 K68 D69 L70 | E62-Q66 WeakPolarHBondContact O-CG 3.27Å; E62-Q66 PolarHBondContact O-N 3.47Å; C63-Q66 PolarHBondContact O-N 2.72Å; Q66-K68 VanDerWaalsContact C-N 3.3Å; Q66-K68 PolarHBondContact O-N 2.67Å; Q66-D69 PolarHBondContact O-N 3.35Å; Q66-D69 VanDerWaalsContact O-N 3.16Å; Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 3.38Å |
| 67 | L | 95.7 | Very high | 93.8 | Very high | 51 Ų | 51 | 83.7 Ų | 83.7 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 174.6 | -71 | -177.2 | 0 | 0 | 0 | 111.9 | C63 I64 A65 D69 L71 V88 L89 T92 | C63-L67 WeakPolarHBondContact O-CG 3.25Å; C63-L67 PolarHBondContact O-N 3.27Å; I64-L67 PolarHBondContact O-N 2.97Å; A65-L67 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 3.31Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-D69 PolarHBondContact O-N 2.77Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.39Å; L67-V88 HydrophobicContact CB-CG1 3.85Å; L67-L89 HydrophobicContact CD1-CD2 4.05Å; L67-T92 HydrophobicContact CD1-CG2 4.34Å; L67-T92 HydrophobicContact CD2-CG2 3.74Å; L67-T92 HydrophobicContact CG-CG2 4.47Å |
| 68 | K | 93.1 | Very high | 93.2 | Very high | 67 Ų | 67 | 83 Ų | 83 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 173 | -75.4 | 175.5 | 173.6 | -162.8 | 0 | 111 | I64 A65 Q66 L71 K76 L83 V88 | I64-K68 WeakPolarHBondContact O-CG 3.4Å; I64-K68 PolarHBondContact O-N 2.77Å; A65-K68 VanDerWaalsContact O-CB 3.29Å; A65-K68 WeakPolarHBondContact O-CB 3.34Å; A65-K68 PolarHBondContact O-N 3.3Å; A65-K68 VanDerWaalsContact O-N 3.12Å; Q66-K68 VanDerWaalsContact C-N 3.3Å; Q66-K68 PolarHBondContact O-N 2.67Å; K68-L71 PolarHBondContact O-N 3.22Å; K68-K76 WeakPolarHBondContact O-CE 3.27Å; K68-K76 PolarHBondContact O-NZ 2.91Å; K68-L83 WeakPolarHBondContact CE-O 3.47Å; K68-L83 HydrophobicContact CG-CD1 4.4Å; K68-L83 PolarHBondContact NZ-O 3.47Å; K68-V88 HydrophobicContact CD-CG2 3.93Å; K68-V88 HydrophobicContact CG-CB 4.23Å; K68-V88 HydrophobicContact CG-CG1 3.76Å; K68-V88 HydrophobicContact CG-CG2 3.34Å |
| 69 | D | 93.1 | Very high | 92.5 | Very high | 126 Ų | 126 | 80.7 Ų | 80.7 | 67% | 0.674 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | -176 | -66.3 | -25.4 | 0 | 0 | 0 | 112.4 | A65 Q66 L67 L71 K76 | A65-D69 PolarHBondContact O-N 2.93Å; Q66-D69 PolarHBondContact O-N 3.35Å; Q66-D69 VanDerWaalsContact O-N 3.16Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-D69 PolarHBondContact O-N 2.77Å; D69-L71 PolarHBondContact O-N 3.45Å; D69-K76 PolarHBondContact O-NZ 3.45Å |
| 70 | L | 93.9 | Very high | 91.4 | Very high | 129 Ų | 129 | 81 Ų | 81 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.1 | -17.7 | 176.5 | -70.4 | 173.1 | 0 | 0 | 0 | 114.3 | Q66 | Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 3.38Å |
| 71 | L | 93.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -67.7 | 133.9 | 179.1 | -78 | 171.9 | 0 | 0 | 0 | 112 | L67 K68 D69 L75 K76 V88 L91 H95 | L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.39Å; K68-L71 PolarHBondContact O-N 3.22Å; D69-L71 PolarHBondContact O-N 3.45Å; L71-L75 HydrophobicContact CD2-CD1 4.34Å; L71-K76 HydrophobicContact CB-CD 4.49Å; L71-K76 HydrophobicContact CB-CG 3.98Å; L71-K76 WeakPolarHBondContact O-CE 3.32Å; L71-K76 PolarHBondContact O-NZ 2.82Å; L71-V88 HydrophobicContact CD1-CG1 4.37Å; L71-L91 HydrophobicContact CD1-CB 3.72Å; L71-L91 HydrophobicContact CD1-CD1 4.18Å; L71-L91 VanDerWaalsContact CD2-C 3.49Å; L71-L91 HydrophobicContact CD2-CB 3.76Å; L71-L91 HydrophobicContact CG-CB 4.41Å; L71-H95 HydrophobicContact CD2-CB 4.2Å |
| 72 | P | 91.9 | Very high | 89.8 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 18% | 0.175 | 45% | 0.446 | C | S | . | . | trans | -56.2 | 144 | 170.8 | -25.5 | 32.3 | 0 | 0 | 0 | 113.2 | H74 L75 K76 H95 | P72-H74 VanDerWaalsContact C-N 3.28Å; P72-H74 WeakPolarHBondContact CB-CE1 3.3Å; P72-H74 WeakPolarHBondContact CB-ND1 3.48Å; P72-H74 PolarHBondContact O-N 2.99Å; P72-L75 HydrophobicContact CG-CD1 4.35Å; P72-L75 PolarHBondContact O-N 3.44Å; P72-K76 PolarHBondContact O-N 2.7Å; P72-K76 VanDerWaalsContact O-N 3.1Å; P72-H95 VanDerWaalsContact CG-CE1 3.43Å; P72-H95 WeakPolarHBondContact CG-CE1 3.39Å; P72-H95 WeakPolarHBondContact CG-ND1 3.32Å | ||
| 73 | E | 89.8 | Confident | 89.2 | Confident | 156 Ų | 156 | 78.9 Ų | 78.9 | 73% | 0.729 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -54.9 | -41.5 | -177.9 | -66.5 | -178.2 | 176.5 | 0 | 0 | 113 | L75 K76 L77 | E73-L75 VanDerWaalsContact C-N 3.26Å; E73-L75 PolarHBondContact O-N 3.32Å; E73-K76 WeakPolarHBondContact O-CB 3.5Å; E73-K76 PolarHBondContact O-N 2.89Å; E73-K76 VanDerWaalsContact O-N 3.1Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 2.93Å |
| 74 | H | 87.7 | Confident | 89 | Confident | 134 Ų | 134 | 81.1 Ų | 81.1 | 62% | 0.62 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.4 | -31.4 | 178.4 | 61.3 | -93.5 | 0 | 0 | 0 | 113 | P72 | P72-H74 VanDerWaalsContact C-N 3.28Å; P72-H74 WeakPolarHBondContact CB-CE1 3.3Å; P72-H74 WeakPolarHBondContact CB-ND1 3.48Å; P72-H74 PolarHBondContact O-N 2.99Å |
| 75 | L | 87.2 | Confident | 88.8 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 17% | 0.168 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -77.7 | -35.7 | 173.7 | -68.6 | -175.8 | 0 | 0 | 0 | 111.5 | L71 P72 E73 T78 L91 H95 | L71-L75 HydrophobicContact CD2-CD1 4.34Å; P72-L75 HydrophobicContact CG-CD1 4.35Å; P72-L75 PolarHBondContact O-N 3.44Å; E73-L75 VanDerWaalsContact C-N 3.26Å; E73-L75 PolarHBondContact O-N 3.32Å; L75-T78 WeakPolarHBondContact O-CG2 3.27Å; L75-T78 PolarHBondContact O-N 3.2Å; L75-L91 HydrophobicContact CB-CD1 4.49Å; L75-L91 HydrophobicContact CB-CD2 4.25Å; L75-L91 HydrophobicContact CD2-CD2 4.35Å; L75-L91 VanDerWaalsContact O-CD1 3.27Å; L75-L91 WeakPolarHBondContact O-CD1 3.27Å; L75-H95 HydrophobicContact CD1-CB 3.89Å |
| 76 | K | 88.5 | Confident | 88.8 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 24% | 0.239 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.6 | -65.9 | 169.7 | 167.3 | 154 | 0 | 111.5 | K68 D69 L71 P72 E73 T78 T79 L83 | K68-K76 WeakPolarHBondContact O-CE 3.27Å; K68-K76 PolarHBondContact O-NZ 2.91Å; D69-K76 PolarHBondContact O-NZ 3.45Å; L71-K76 HydrophobicContact CB-CD 4.49Å; L71-K76 HydrophobicContact CB-CG 3.98Å; L71-K76 WeakPolarHBondContact O-CE 3.32Å; L71-K76 PolarHBondContact O-NZ 2.82Å; P72-K76 PolarHBondContact O-N 2.7Å; P72-K76 VanDerWaalsContact O-N 3.1Å; E73-K76 WeakPolarHBondContact O-CB 3.5Å; E73-K76 PolarHBondContact O-N 2.89Å; E73-K76 VanDerWaalsContact O-N 3.1Å; K76-T78 VanDerWaalsContact C-N 3.26Å; K76-T78 PolarHBondContact O-N 3.22Å; K76-T79 PolarHBondContact O-N 3.46Å; K76-T79 PolarHBondContact O-OG1 2.9Å; K76-L83 HydrophobicContact CB-CD1 4.39Å; K76-L83 HydrophobicContact CG-CD1 4.12Å |
| 77 | L | 87.5 | Confident | 88.7 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 68% | 0.681 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.3 | -21.8 | -177.8 | -67.8 | 172.1 | 0 | 0 | 0 | 113.6 | E73 T79 L80 | E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 2.93Å; L77-T79 PolarHBondContact O-N 2.78Å; L77-T79 VanDerWaalsContact O-N 3.13Å; L77-L80 PolarHBondContact O-N 3.31Å |
| 78 | T | 86.2 | Confident | 88.6 | Confident | 98 Ų | 98 | 80.4 Ų | 80.4 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.3 | 177 | -154.7 | 0 | 0 | 0 | 0 | 113 | L75 K76 L91 | L75-T78 WeakPolarHBondContact O-CG2 3.27Å; L75-T78 PolarHBondContact O-N 3.2Å; K76-T78 VanDerWaalsContact C-N 3.26Å; K76-T78 PolarHBondContact O-N 3.22Å; T78-L91 HydrophobicContact CG2-CD1 4.38Å; T78-L91 HydrophobicContact CG2-CD2 3.86Å |
| 79 | T | 82.4 | Confident | 88.7 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 22% | 0.221 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 16.6 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | K76 L77 G81 H82 L83 V87 L91 | K76-T79 PolarHBondContact O-N 3.46Å; K76-T79 PolarHBondContact O-OG1 2.9Å; L77-T79 PolarHBondContact O-N 2.78Å; L77-T79 VanDerWaalsContact O-N 3.13Å; T79-G81 PolarHBondContact O-N 3.01Å; T79-G81 VanDerWaalsContact O-N 3.11Å; T79-H82 WeakPolarHBondContact O-CB 3.23Å; T79-H82 PolarHBondContact O-N 3.3Å; T79-L83 WeakPolarHBondContact OG1-CD2 3.42Å; T79-V87 HydrophobicContact CG2-CG1 3.38Å; T79-L91 HydrophobicContact CG2-CD1 4.48Å |
| 80 | L | 74.8 | Confident | 88.8 | Confident | 167 Ų | 167 | 80.6 Ų | 80.6 | 87% | 0.874 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 27.5 | 177.3 | -154.5 | 123 | 0 | 0 | 0 | 113.2 | L77 H82 | L77-L80 PolarHBondContact O-N 3.31Å; L80-H82 VanDerWaalsContact C-N 3.32Å |
| 81 | G | 76.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -4.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T79 L83 | T79-G81 PolarHBondContact O-N 3.01Å; T79-G81 VanDerWaalsContact O-N 3.11Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 3.47Å |
| 82 | H | 83.3 | Confident | 89 | Confident | 119 Ų | 119 | 75.4 Ų | 75.4 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | trans | -84.2 | 68.8 | 178.3 | -161.7 | 65.7 | 0 | 0 | 0 | 111.7 | T79 L80 E84 | T79-H82 WeakPolarHBondContact O-CB 3.23Å; T79-H82 PolarHBondContact O-N 3.3Å; L80-H82 VanDerWaalsContact C-N 3.32Å; H82-E84 VanDerWaalsContact C-N 3.31Å; H82-E84 VanDerWaalsContact CD2-CG 3.44Å; H82-E84 WeakPolarHBondContact CD2-CG 3.28Å; H82-E84 IonicContact CD2-OE1 2.7Å; H82-E84 IonicContact CE1-OE1 3.74Å; H82-E84 WeakPolarHBondContact NE2-CG 3.32Å; H82-E84 IonicContact NE2-OE1 3.87Å; H82-E84 PolarHBondContact NE2-OE1 3.5Å; H82-E84 PolarHBondContact O-N 3.06Å | ||
| 83 | L | 86 | Confident | 89.2 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | trans | -81.5 | 76.4 | 178.7 | -67.9 | 174.9 | 0 | 0 | 0 | 111.1 | K68 K76 T79 G81 V87 V88 L91 | K68-L83 WeakPolarHBondContact CE-O 3.47Å; K68-L83 HydrophobicContact CG-CD1 4.4Å; K68-L83 PolarHBondContact NZ-O 3.47Å; K76-L83 HydrophobicContact CB-CD1 4.39Å; K76-L83 HydrophobicContact CG-CD1 4.12Å; T79-L83 WeakPolarHBondContact OG1-CD2 3.42Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 3.47Å; L83-V87 HydrophobicContact CD2-CG1 3.9Å; L83-V88 HydrophobicContact CB-CG2 3.9Å; L83-L91 HydrophobicContact CD2-CD1 3.68Å | ||
| 84 | E | 91.5 | Very high | 89.4 | Confident | 106 Ų | 106 | 76.1 Ų | 76.1 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | trans | -60.3 | 156.2 | 166.9 | -59.2 | -169 | 157.7 | 0 | 0 | 111 | H82 A86 V87 V88 | H82-E84 VanDerWaalsContact C-N 3.31Å; H82-E84 VanDerWaalsContact CD2-CG 3.44Å; H82-E84 WeakPolarHBondContact CD2-CG 3.28Å; H82-E84 IonicContact CD2-OE1 2.7Å; H82-E84 IonicContact CE1-OE1 3.74Å; H82-E84 WeakPolarHBondContact NE2-CG 3.32Å; H82-E84 IonicContact NE2-OE1 3.87Å; H82-E84 PolarHBondContact NE2-OE1 3.5Å; H82-E84 PolarHBondContact O-N 3.06Å; E84-A86 PolarHBondContact O-N 2.78Å; E84-A86 VanDerWaalsContact O-N 3.16Å; E84-V87 HydrophobicContact CB-CB 4.43Å; E84-V87 HydrophobicContact CB-CG2 4.09Å; E84-V87 WeakPolarHBondContact O-CB 3.42Å; E84-V87 PolarHBondContact O-N 2.77Å; E84-V88 WeakPolarHBondContact O-CG2 3.33Å; E84-V88 PolarHBondContact O-N 3.3Å | ||
| 85 | K | 92.7 | Very high | 89.8 | Confident | 116 Ų | 116 | 71.9 Ų | 71.9 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.1 | -40.3 | -178.2 | -68.3 | -174.9 | 170.9 | -173.2 | 0 | 112.5 | N61 I64 L89 | N61-K85 WeakPolarHBondContact OD1-CE 3.45Å; N61-K85 PolarHBondContact OD1-NZ 3.44Å; I64-K85 HydrophobicContact CD1-CD 4.04Å; I64-K85 HydrophobicContact CD1-CG 4.22Å; I64-K85 HydrophobicContact CG2-CG 4.49Å; K85-L89 WeakPolarHBondContact O-CG 3.21Å; K85-L89 PolarHBondContact O-N 3Å |
| 86 | A | 93.5 | Very high | 90.3 | Very high | 67 Ų | 67 | 74.8 Ų | 74.8 | 55% | 0.554 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E84 V88 L89 E90 | E84-A86 PolarHBondContact O-N 2.78Å; E84-A86 VanDerWaalsContact O-N 3.16Å; A86-V88 VanDerWaalsContact C-N 3.34Å; A86-V88 PolarHBondContact O-N 2.85Å; A86-L89 PolarHBondContact O-N 3.45Å; A86-E90 PolarHBondContact O-N 2.74Å |
| 87 | V | 93.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 78.7 Ų | 78.7 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | T79 L83 E84 L89 E90 L91 | T79-V87 HydrophobicContact CG2-CG1 3.38Å; L83-V87 HydrophobicContact CD2-CG1 3.9Å; E84-V87 HydrophobicContact CB-CB 4.43Å; E84-V87 HydrophobicContact CB-CG2 4.09Å; E84-V87 WeakPolarHBondContact O-CB 3.42Å; E84-V87 PolarHBondContact O-N 2.77Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 2.89Å; V87-E90 PolarHBondContact O-N 2.7Å; V87-L91 HydrophobicContact CG1-CD1 3.84Å; V87-L91 HydrophobicContact CG1-CG 4.2Å; V87-L91 WeakPolarHBondContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.17Å |
| 88 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 176 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | I64 L67 K68 L71 L83 E84 A86 E90 L91 T92 | I64-V88 HydrophobicContact CG2-CG1 4.33Å; L67-V88 HydrophobicContact CB-CG1 3.85Å; K68-V88 HydrophobicContact CD-CG2 3.93Å; K68-V88 HydrophobicContact CG-CB 4.23Å; K68-V88 HydrophobicContact CG-CG1 3.76Å; K68-V88 HydrophobicContact CG-CG2 3.34Å; L71-V88 HydrophobicContact CD1-CG1 4.37Å; L83-V88 HydrophobicContact CB-CG2 3.9Å; E84-V88 WeakPolarHBondContact O-CG2 3.33Å; E84-V88 PolarHBondContact O-N 3.3Å; A86-V88 VanDerWaalsContact C-N 3.34Å; A86-V88 PolarHBondContact O-N 2.85Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 3.09Å; V88-L91 PolarHBondContact O-N 2.94Å; V88-T92 VanDerWaalsContact O-CB 3.26Å; V88-T92 WeakPolarHBondContact O-CB 3.47Å; V88-T92 PolarHBondContact O-N 2.82Å; V88-T92 PolarHBondContact O-OG1 2.85Å |
| 89 | L | 95.5 | Very high | 91.6 | Very high | 93 Ų | 93 | 74 Ų | 74 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | -179.4 | -66.1 | 172.7 | 0 | 0 | 0 | 111.1 | L67 K85 A86 V87 T92 L93 | L67-L89 HydrophobicContact CD1-CD2 4.05Å; K85-L89 WeakPolarHBondContact O-CG 3.21Å; K85-L89 PolarHBondContact O-N 3Å; A86-L89 PolarHBondContact O-N 3.45Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 2.89Å; L89-T92 PolarHBondContact O-N 3.23Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 3.28Å |
| 90 | E | 94.2 | Very high | 92.3 | Very high | 105 Ų | 105 | 76.7 Ų | 76.7 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 177.9 | -169 | -172.8 | 151.7 | 0 | 0 | 112.3 | A86 V87 V88 T92 L93 K94 | A86-E90 PolarHBondContact O-N 2.74Å; V87-E90 PolarHBondContact O-N 2.7Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 3.09Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 3.42Å; E90-L93 PolarHBondContact O-N 2.67Å; E90-K94 WeakPolarHBondContact O-CG 3.5Å; E90-K94 PolarHBondContact O-N 3.38Å; E90-K94 WeakPolarHBondContact OE1-CE 3.48Å; E90-K94 IonicContact OE1-NZ 3.51Å; E90-K94 PolarHBondContact OE1-NZ 3.34Å |
| 91 | L | 94.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 177.3 | -68 | 177.4 | 0 | 0 | 0 | 111.4 | L71 L75 T78 T79 L83 V87 V88 L93 K94 H95 | L71-L91 HydrophobicContact CD1-CB 3.72Å; L71-L91 HydrophobicContact CD1-CD1 4.18Å; L71-L91 VanDerWaalsContact CD2-C 3.49Å; L71-L91 HydrophobicContact CD2-CB 3.76Å; L71-L91 HydrophobicContact CG-CB 4.41Å; L75-L91 HydrophobicContact CB-CD1 4.49Å; L75-L91 HydrophobicContact CB-CD2 4.25Å; L75-L91 HydrophobicContact CD2-CD2 4.35Å; L75-L91 VanDerWaalsContact O-CD1 3.27Å; L75-L91 WeakPolarHBondContact O-CD1 3.27Å; T78-L91 HydrophobicContact CG2-CD1 4.38Å; T78-L91 HydrophobicContact CG2-CD2 3.86Å; T79-L91 HydrophobicContact CG2-CD1 4.48Å; L83-L91 HydrophobicContact CD2-CD1 3.68Å; V87-L91 HydrophobicContact CG1-CD1 3.84Å; V87-L91 HydrophobicContact CG1-CG 4.2Å; V87-L91 WeakPolarHBondContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.17Å; V88-L91 PolarHBondContact O-N 2.94Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 3.29Å; L91-K94 HydrophobicContact CD2-CD 4.45Å; L91-K94 PolarHBondContact O-N 3.29Å; L91-H95 WeakPolarHBondContact O-CB 3.19Å; L91-H95 PolarHBondContact O-N 3.31Å |
| 92 | T | 96.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.117 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | L67 V88 L89 E90 K94 H95 L96 | L67-T92 HydrophobicContact CD1-CG2 4.34Å; L67-T92 HydrophobicContact CD2-CG2 3.74Å; L67-T92 HydrophobicContact CG-CG2 4.47Å; V88-T92 VanDerWaalsContact O-CB 3.26Å; V88-T92 WeakPolarHBondContact O-CB 3.47Å; V88-T92 PolarHBondContact O-N 2.82Å; V88-T92 PolarHBondContact O-OG1 2.85Å; L89-T92 PolarHBondContact O-N 3.23Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 3.42Å; T92-K94 PolarHBondContact O-N 3.23Å; T92-H95 PolarHBondContact O-N 2.82Å; T92-L96 HydrophobicContact CG2-CD1 4.13Å; T92-L96 HydrophobicContact CG2-CG 4.41Å; T92-L96 WeakPolarHBondContact O-CB 3.13Å; T92-L96 WeakPolarHBondContact O-CG 3.39Å; T92-L96 PolarHBondContact O-N 2.81Å |
| 93 | L | 96 | Very high | 94.9 | Very high | 93 Ų | 93 | 70.7 Ų | 70.7 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.9 | -175.5 | 65.6 | 0 | 0 | 0 | 112 | L89 E90 L91 K97 | L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 3.28Å; E90-L93 PolarHBondContact O-N 2.67Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 3.29Å; L93-K97 HydrophobicContact CG-CD 4.47Å; L93-K97 WeakPolarHBondContact O-CB 3.31Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 3.11Å |
| 94 | K | 94.9 | Very high | 95.4 | Very high | 105 Ų | 105 | 74.7 Ų | 74.7 | 46% | 0.457 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.7 | -73.5 | 175.9 | -175.5 | 165.1 | 0 | 111.3 | E90 L91 T92 K97 A98 | E90-K94 WeakPolarHBondContact O-CG 3.5Å; E90-K94 PolarHBondContact O-N 3.38Å; E90-K94 WeakPolarHBondContact OE1-CE 3.48Å; E90-K94 IonicContact OE1-NZ 3.51Å; E90-K94 PolarHBondContact OE1-NZ 3.34Å; L91-K94 HydrophobicContact CD2-CD 4.45Å; L91-K94 PolarHBondContact O-N 3.29Å; T92-K94 PolarHBondContact O-N 3.23Å; K94-K97 PolarHBondContact O-N 3.46Å; K94-A98 PolarHBondContact O-N 3.18Å |
| 95 | H | 96.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 75.7 Ų | 75.7 | 21% | 0.213 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 178.5 | -176.1 | 48.2 | 0 | 0 | 0 | 112.2 | L71 P72 L75 L91 T92 K97 A98 L99 | L71-H95 HydrophobicContact CD2-CB 4.2Å; P72-H95 VanDerWaalsContact CG-CE1 3.43Å; P72-H95 WeakPolarHBondContact CG-CE1 3.39Å; P72-H95 WeakPolarHBondContact CG-ND1 3.32Å; L75-H95 HydrophobicContact CD1-CB 3.89Å; L91-H95 WeakPolarHBondContact O-CB 3.19Å; L91-H95 PolarHBondContact O-N 3.31Å; T92-H95 PolarHBondContact O-N 2.82Å; H95-K97 PolarHBondContact O-N 3.4Å; H95-A98 WeakPolarHBondContact O-CB 3.26Å; H95-A98 PolarHBondContact O-N 3.25Å; H95-A98 VanDerWaalsContact O-N 3.17Å; H95-L99 WeakPolarHBondContact NE2-CD1 3.45Å; H95-L99 WeakPolarHBondContact O-CG 3.42Å; H95-L99 PolarHBondContact O-N 3.36Å |
| 96 | L | 96.7 | Very high | 95.7 | Very high | 93 Ų | 93 | 75.3 Ų | 75.3 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.1 | -72.2 | 175.5 | 0 | 0 | 0 | 111.7 | T92 A98 L99 T100 | T92-L96 HydrophobicContact CG2-CD1 4.13Å; T92-L96 HydrophobicContact CG2-CG 4.41Å; T92-L96 WeakPolarHBondContact O-CB 3.13Å; T92-L96 WeakPolarHBondContact O-CG 3.39Å; T92-L96 PolarHBondContact O-N 2.81Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.45Å; L96-L99 PolarHBondContact O-N 3.32Å; L96-T100 PolarHBondContact O-N 2.84Å; L96-T100 PolarHBondContact O-OG1 2.8Å |
| 97 | K | 97 | Very high | 95.8 | Very high | 137 Ų | 137 | 77.2 Ų | 77.2 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 174.4 | -75.2 | 178.2 | 177.1 | -178.7 | 0 | 112.2 | L93 K94 H95 T100 A101 | L93-K97 HydrophobicContact CG-CD 4.47Å; L93-K97 WeakPolarHBondContact O-CB 3.31Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 3.11Å; K94-K97 PolarHBondContact O-N 3.46Å; H95-K97 PolarHBondContact O-N 3.4Å; K97-T100 PolarHBondContact O-N 3.1Å; K97-A101 WeakPolarHBondContact O-CB 3.15Å; K97-A101 PolarHBondContact O-N 3.29Å |
| 98 | A | 96.1 | Very high | 95.8 | Very high | 59 Ų | 59 | 81.1 Ų | 81.1 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | K94 H95 L96 A101 L102 | K94-A98 PolarHBondContact O-N 3.18Å; H95-A98 WeakPolarHBondContact O-CB 3.26Å; H95-A98 PolarHBondContact O-N 3.25Å; H95-A98 VanDerWaalsContact O-N 3.17Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.45Å; A98-A101 PolarHBondContact O-N 2.95Å; A98-L102 WeakPolarHBondContact O-CB 3.33Å; A98-L102 PolarHBondContact O-N 3.18Å |
| 99 | L | 97.2 | Very high | 95.6 | Very high | 71 Ų | 71 | 87.9 Ų | 87.9 | 37% | 0.372 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 174.9 | -73.6 | 178.7 | 0 | 0 | 0 | 112.2 | H95 L96 L102 T103 | H95-L99 WeakPolarHBondContact NE2-CD1 3.45Å; H95-L99 WeakPolarHBondContact O-CG 3.42Å; H95-L99 PolarHBondContact O-N 3.36Å; L96-L99 PolarHBondContact O-N 3.32Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-T103 WeakPolarHBondContact O-CB 3.47Å; L99-T103 PolarHBondContact O-N 3.45Å; L99-T103 PolarHBondContact O-OG1 2.9Å |
| 100 | T | 97 | Very high | 95.4 | Very high | 91 Ų | 91 | 87.4 Ų | 87.4 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.9 | -46.6 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | L96 K97 L102 T103 E104 | L96-T100 PolarHBondContact O-N 2.84Å; L96-T100 PolarHBondContact O-OG1 2.8Å; K97-T100 PolarHBondContact O-N 3.1Å; T100-L102 PolarHBondContact O-N 2.94Å; T100-T103 PolarHBondContact O-N 3.39Å; T100-E104 WeakPolarHBondContact O-CB 3.47Å; T100-E104 PolarHBondContact O-N 3.1Å |
| 101 | A | 97.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 85.1 Ų | 85.1 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | K97 A98 E104 Q105 | K97-A101 WeakPolarHBondContact O-CB 3.15Å; K97-A101 PolarHBondContact O-N 3.29Å; A98-A101 PolarHBondContact O-N 2.95Å; A101-E104 PolarHBondContact O-N 2.98Å; A101-Q105 WeakPolarHBondContact O-CB 3.34Å; A101-Q105 PolarHBondContact O-N 3.23Å |
| 102 | L | 96.9 | Very high | 94.8 | Very high | 79 Ų | 79 | 88 Ų | 88 | 41% | 0.414 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 174.6 | 179.2 | 64.2 | 0 | 0 | 0 | 111.7 | A98 L99 T100 Q105 Q106 | A98-L102 WeakPolarHBondContact O-CB 3.33Å; A98-L102 PolarHBondContact O-N 3.18Å; L99-L102 PolarHBondContact O-N 3.41Å; T100-L102 PolarHBondContact O-N 2.94Å; L102-Q105 PolarHBondContact O-N 2.87Å; L102-Q106 WeakPolarHBondContact O-CB 3.49Å; L102-Q106 WeakPolarHBondContact O-CG 3.43Å; L102-Q106 PolarHBondContact O-N 3.34Å |
| 103 | T | 96.4 | Very high | 94.3 | Very high | 86 Ų | 86 | 91.3 Ų | 91.3 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | L99 T100 Q106 H107 | L99-T103 WeakPolarHBondContact O-CB 3.47Å; L99-T103 PolarHBondContact O-N 3.45Å; L99-T103 PolarHBondContact O-OG1 2.9Å; T100-T103 PolarHBondContact O-N 3.39Å; T103-Q106 PolarHBondContact O-N 3.45Å; T103-H107 WeakPolarHBondContact O-CB 3.37Å; T103-H107 PolarHBondContact O-N 3.13Å |
| 104 | E | 95.7 | Very high | 93.7 | Very high | 112 Ų | 112 | 93.8 Ų | 93.8 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175 | -171.3 | -179 | 177.2 | 0 | 0 | 111.4 | T100 A101 Q106 H107 Q108 | T100-E104 WeakPolarHBondContact O-CB 3.47Å; T100-E104 PolarHBondContact O-N 3.1Å; A101-E104 PolarHBondContact O-N 2.98Å; E104-Q106 VanDerWaalsContact C-N 3.35Å; E104-Q106 PolarHBondContact O-N 2.85Å; E104-H107 PolarHBondContact O-N 3.43Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.24Å; E104-Q108 PolarHBondContact O-N 3.45Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å |
| 105 | Q | 95.1 | Very high | 92.8 | Very high | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 174.8 | -172.6 | -171.1 | 8.7 | 0 | 0 | 111.8 | A101 L102 Q108 K109 | A101-Q105 WeakPolarHBondContact O-CB 3.34Å; A101-Q105 PolarHBondContact O-N 3.23Å; L102-Q105 PolarHBondContact O-N 2.87Å; Q105-Q108 PolarHBondContact O-N 2.92Å; Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 PolarHBondContact O-N 3.49Å |
| 106 | Q | 95.2 | Very high | 90.8 | Very high | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.6 | -75.2 | -178.5 | -8 | 0 | 0 | 111.6 | L102 T103 E104 K109 I110 | L102-Q106 WeakPolarHBondContact O-CB 3.49Å; L102-Q106 WeakPolarHBondContact O-CG 3.43Å; L102-Q106 PolarHBondContact O-N 3.34Å; T103-Q106 PolarHBondContact O-N 3.45Å; E104-Q106 VanDerWaalsContact C-N 3.35Å; E104-Q106 PolarHBondContact O-N 2.85Å; Q106-K109 WeakPolarHBondContact O-CB 3.38Å; Q106-K109 PolarHBondContact O-N 3.04Å; Q106-I110 VanDerWaalsContact O-CG1 3.26Å; Q106-I110 WeakPolarHBondContact O-CG1 3.32Å; Q106-I110 PolarHBondContact O-N 2.93Å |
| 107 | H | 95.3 | Very high | 88.8 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.1 | -177 | 64.6 | 0 | 0 | 0 | 111.6 | T103 E104 K109 I110 I111 | T103-H107 WeakPolarHBondContact O-CB 3.37Å; T103-H107 PolarHBondContact O-N 3.13Å; E104-H107 PolarHBondContact O-N 3.43Å; H107-K109 VanDerWaalsContact C-N 3.3Å; H107-K109 PolarHBondContact O-N 3.45Å; H107-I110 PolarHBondContact O-N 3.19Å; H107-I111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 2.83Å |
| 108 | Q | 93.2 | Very high | 86.6 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 173.4 | -70.4 | 175.2 | 14.8 | 0 | 0 | 111.6 | E104 Q105 I111 A112 | E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.24Å; E104-Q108 PolarHBondContact O-N 3.45Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å; Q105-Q108 PolarHBondContact O-N 2.92Å; Q108-I111 PolarHBondContact O-N 2.91Å; Q108-A112 VanDerWaalsContact O-CB 3.26Å; Q108-A112 WeakPolarHBondContact O-CB 2.99Å; Q108-A112 PolarHBondContact O-N 3.28Å |
| 109 | K | 91 | Very high | 84.3 | Confident | 143 Ų | 143 | 102.5 Ų | 102.5 | 62% | 0.622 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 174.2 | -172.7 | 176.4 | -178.6 | 178.4 | 0 | 111.5 | Q105 Q106 H107 A112 L113 | Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 PolarHBondContact O-N 3.49Å; Q106-K109 WeakPolarHBondContact O-CB 3.38Å; Q106-K109 PolarHBondContact O-N 3.04Å; H107-K109 VanDerWaalsContact C-N 3.3Å; H107-K109 PolarHBondContact O-N 3.45Å; K109-A112 PolarHBondContact O-N 3.45Å; K109-L113 HydrophobicContact CG-CD1 4.34Å; K109-L113 WeakPolarHBondContact O-CG 3.47Å; K109-L113 PolarHBondContact O-N 3.33Å |
| 110 | I | 90.6 | Very high | 82.1 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 43% | 0.426 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.8 | -68.7 | 162.7 | 0 | 0 | 0 | 110.4 | Q106 H107 A112 L113 Q114 | Q106-I110 VanDerWaalsContact O-CG1 3.26Å; Q106-I110 WeakPolarHBondContact O-CG1 3.32Å; Q106-I110 PolarHBondContact O-N 2.93Å; H107-I110 PolarHBondContact O-N 3.19Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.34Å; I110-L113 WeakPolarHBondContact O-CB 3.27Å; I110-L113 PolarHBondContact O-N 3Å; I110-L113 VanDerWaalsContact O-N 3.17Å; I110-Q114 HydrophobicContact CG2-CG 4.19Å; I110-Q114 WeakPolarHBondContact O-CB 2.73Å; I110-Q114 WeakPolarHBondContact O-CG 2.98Å; I110-Q114 PolarHBondContact O-N 2.86Å |
| 111 | I | 89.7 | Confident | 79.8 | Confident | 57 Ų | 57 | 107.6 Ų | 107.6 | 29% | 0.292 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.1 | -69.6 | 170.7 | 0 | 0 | 0 | 110.7 | H107 Q108 L113 Q114 N115 | H107-I111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 2.83Å; Q108-I111 PolarHBondContact O-N 2.91Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.87Å; I111-Q114 PolarHBondContact O-N 3.42Å; I111-N115 WeakPolarHBondContact CG2-ND2 3.47Å; I111-N115 VanDerWaalsContact O-CB 3.24Å; I111-N115 WeakPolarHBondContact O-CB 3.17Å; I111-N115 PolarHBondContact O-N 3.33Å |
| 112 | A | 87.4 | Confident | 77.8 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q108 K109 I110 G116 | Q108-A112 VanDerWaalsContact O-CB 3.26Å; Q108-A112 WeakPolarHBondContact O-CB 2.99Å; Q108-A112 PolarHBondContact O-N 3.28Å; K109-A112 PolarHBondContact O-N 3.45Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.34Å; A112-G116 PolarHBondContact O-N 2.75Å |
| 113 | L | 84.9 | Confident | 76.1 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72 | -41.4 | 173.8 | -67.6 | 172.6 | 0 | 0 | 0 | 112.1 | K109 I110 I111 G116 S119 | K109-L113 HydrophobicContact CG-CD1 4.34Å; K109-L113 WeakPolarHBondContact O-CG 3.47Å; K109-L113 PolarHBondContact O-N 3.33Å; I110-L113 WeakPolarHBondContact O-CB 3.27Å; I110-L113 PolarHBondContact O-N 3Å; I110-L113 VanDerWaalsContact O-N 3.17Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.87Å; L113-G116 PolarHBondContact O-N 3.23Å; L113-S119 WeakPolarHBondContact CD2-OG 3.4Å |
| 114 | Q | 83.4 | Confident | 74.8 | Confident | 145 Ų | 145 | 109.1 Ų | 109.1 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.3 | -43 | -178.3 | -74.6 | 178.9 | -18.6 | 0 | 0 | 112.9 | I110 I111 G116 | I110-Q114 HydrophobicContact CG2-CG 4.19Å; I110-Q114 WeakPolarHBondContact O-CB 2.73Å; I110-Q114 WeakPolarHBondContact O-CG 2.98Å; I110-Q114 PolarHBondContact O-N 2.86Å; I111-Q114 PolarHBondContact O-N 3.42Å; Q114-G116 PolarHBondContact O-N 2.97Å |
| 115 | N | 77.2 | Confident | 73.6 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 69% | 0.69 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -71.7 | -14.5 | 175.2 | -64.4 | -5.5 | 0 | 0 | 0 | 111.7 | I111 E117 | I111-N115 WeakPolarHBondContact CG2-ND2 3.47Å; I111-N115 VanDerWaalsContact O-CB 3.24Å; I111-N115 WeakPolarHBondContact O-CB 3.17Å; I111-N115 PolarHBondContact O-N 3.33Å; N115-E117 PolarHBondContact O-N 3.17Å |
| 116 | G | 54.7 | Low | 72.8 | Confident | 25 Ų | 25 | 103.5 Ų | 103.5 | 26% | 0.258 | 54% | 0.54 | S | S | . | . | trans | -89.8 | 79.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A112 L113 Q114 R118 S119 | A112-G116 PolarHBondContact O-N 2.75Å; L113-G116 PolarHBondContact O-N 3.23Å; Q114-G116 PolarHBondContact O-N 2.97Å; G116-R118 PolarHBondContact O-N 2.82Å; G116-S119 PolarHBondContact O-N 3.45Å | ||
| 117 | E | 52.8 | Low | 72.2 | Confident | 203 Ų | 203 | 103.8 Ų | 103.8 | 95% | 0.949 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 20 | 151.6 | -142.2 | -175 | 158.6 | 0 | 0 | 113 | N115 | N115-E117 PolarHBondContact O-N 3.17Š|
| 118 | R | 52.1 | Low | 71.8 | Confident | 212 Ų | 212 | 101.3 Ų | 101.3 | 80% | 0.8 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.2 | 13.2 | 176 | -58.5 | -170 | -167.9 | -96.1 | 1.6 | 113.4 | G116 L120 K121 | G116-R118 PolarHBondContact O-N 2.82Å; R118-L120 VanDerWaalsContact C-N 3.34Å; R118-K121 WeakPolarHBondContact O-CB 3.37Å; R118-K121 VanDerWaalsContact O-CG 3.31Å; R118-K121 WeakPolarHBondContact O-CG 3.33Å; R118-K121 PolarHBondContact O-N 3.23Å |
| 119 | S | 48.2 | Very low | 71.5 | Confident | 54 Ų | 54 | 99.1 Ų | 99.1 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 17.6 | 170 | -156.6 | 0 | 0 | 0 | 0 | 113.4 | L113 G116 | L113-S119 WeakPolarHBondContact CD2-OG 3.4Å; G116-S119 PolarHBondContact O-N 3.45Å |
| 120 | L | 49.7 | Very low | 71.3 | Confident | 163 Ų | 163 | 94.8 Ų | 94.8 | 85% | 0.853 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 14 | 148.2 | -64 | -171.2 | 0 | 0 | 0 | 112.1 | R118 S122 | R118-L120 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.87Å |
| 121 | K | 48.9 | Very low | 71.3 | Confident | 106 Ų | 106 | 95.9 Ų | 95.9 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | trans | -70.6 | 66.9 | 145.8 | -61.3 | -146.4 | 169.4 | -173.7 | 0 | 108.7 | R118 Q125 D129 | R118-K121 WeakPolarHBondContact O-CB 3.37Å; R118-K121 VanDerWaalsContact O-CG 3.31Å; R118-K121 WeakPolarHBondContact O-CG 3.33Å; R118-K121 PolarHBondContact O-N 3.23Å; K121-Q125 VanDerWaalsContact CA-CB 3.42Å; K121-Q125 HydrophobicContact CB-CB 3.58Å; K121-Q125 HydrophobicContact CB-CG 3.94Å; K121-Q125 HydrophobicContact CD-CB 3.95Å; K121-Q125 HydrophobicContact CD-CG 3.3Å; K121-Q125 VanDerWaalsContact CE-CG 3.48Å; K121-Q125 HydrophobicContact CG-CB 3.71Å; K121-Q125 HydrophobicContact CG-CG 3.46Å; K121-Q125 VanDerWaalsContact CG-CG 3.46Å; K121-D129 IonicContact NZ-OD1 2.91Å; K121-D129 IonicContact NZ-OD2 3.8Å; K121-D129 PolarHBondContact NZ-OD2 3.49Å | ||
| 122 | S | 54.8 | Low | 71.3 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | trans | -51 | 163.9 | 164.6 | 64.8 | 0 | 0 | 0 | 0 | 108.3 | L120 V124 Q125 | L120-S122 PolarHBondContact O-N 2.87Å; S122-V124 CarbonylContact O-C 3.49Å; S122-V124 PolarHBondContact O-N 2.85Å; S122-V124 WeakPolarHBondContact OG-CB 3.4Å; S122-V124 WeakPolarHBondContact OG-CG2 3.42Å; S122-V124 PolarHBondContact OG-N 2.98Å; S122-Q125 PolarHBondContact O-N 3.44Å | ||
| 123 | P | 61.6 | Low | 71.3 | Confident | 117 Ų | 117 | 96.1 Ų | 96.1 | 76% | 0.76 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -41.4 | -26.6 | 169.9 | 14.5 | -31.2 | 0 | 0 | 0 | 113.6 | D127 | P123-D127 WeakPolarHBondContact O-CB 3.2Å; P123-D127 PolarHBondContact O-N 2.86Å |
| 124 | V | 68.5 | Low | 71.7 | Confident | 85 Ų | 85 | 93.8 Ų | 93.8 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 170.5 | -169.8 | 0 | 0 | 0 | 0 | 113.9 | S122 D127 L128 | S122-V124 CarbonylContact O-C 3.49Å; S122-V124 PolarHBondContact O-N 2.85Å; S122-V124 WeakPolarHBondContact OG-CB 3.4Å; S122-V124 WeakPolarHBondContact OG-CG2 3.42Å; S122-V124 PolarHBondContact OG-N 2.98Å; V124-D127 CarbonylContact O-C 3.56Å; V124-D127 WeakPolarHBondContact O-CB 3.44Å; V124-D127 PolarHBondContact O-N 3.27Å; V124-L128 HydrophobicContact CG1-CD1 4.29Å; V124-L128 HydrophobicContact CG1-CG 4.35Å; V124-L128 WeakPolarHBondContact O-CB 3.44Å; V124-L128 VanDerWaalsContact O-CG 3.24Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.27Å |
| 125 | Q | 71.6 | Confident | 72.2 | Confident | 59 Ų | 59 | 89 Ų | 89 | 28% | 0.276 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.3 | -32.8 | -179.9 | -170.6 | 70 | 38.8 | 0 | 0 | 112.6 | K121 S122 D127 L128 D129 | K121-Q125 VanDerWaalsContact CA-CB 3.42Å; K121-Q125 HydrophobicContact CB-CB 3.58Å; K121-Q125 HydrophobicContact CB-CG 3.94Å; K121-Q125 HydrophobicContact CD-CB 3.95Å; K121-Q125 HydrophobicContact CD-CG 3.3Å; K121-Q125 VanDerWaalsContact CE-CG 3.48Å; K121-Q125 HydrophobicContact CG-CB 3.71Å; K121-Q125 HydrophobicContact CG-CG 3.46Å; K121-Q125 VanDerWaalsContact CG-CG 3.46Å; S122-Q125 PolarHBondContact O-N 3.44Å; Q125-D127 PolarHBondContact O-N 3.45Å; Q125-L128 PolarHBondContact O-N 2.95Å; Q125-D129 PolarHBondContact NE2-OD1 3Å; Q125-D129 VanDerWaalsContact O-CB 3.31Å; Q125-D129 WeakPolarHBondContact O-CB 3.45Å; Q125-D129 PolarHBondContact O-N 3.06Å |
| 126 | A | 78.1 | Confident | 73 | Confident | 63 Ų | 63 | 87 Ų | 87 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D129 A130 | A126-D129 PolarHBondContact O-N 3.5Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 3.01Å |
| 127 | D | 82.6 | Confident | 74.8 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 173.4 | -166.8 | 35.6 | 0 | 0 | 0 | 112.5 | P123 V124 Q125 A130 F131 | P123-D127 WeakPolarHBondContact O-CB 3.2Å; P123-D127 PolarHBondContact O-N 2.86Å; V124-D127 CarbonylContact O-C 3.56Å; V124-D127 WeakPolarHBondContact O-CB 3.44Å; V124-D127 PolarHBondContact O-N 3.27Å; Q125-D127 PolarHBondContact O-N 3.45Å; D127-A130 PolarHBondContact O-N 2.89Å; D127-F131 VanDerWaalsContact O-CB 3.27Å; D127-F131 WeakPolarHBondContact O-CB 3.33Å; D127-F131 PolarHBondContact O-N 3.45Å |
| 128 | L | 86.9 | Confident | 76.8 | Confident | 56 Ų | 56 | 83.6 Ų | 83.6 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 174.3 | -70 | 176.3 | 0 | 0 | 0 | 112.5 | V124 Q125 F131 H132 | V124-L128 HydrophobicContact CG1-CD1 4.29Å; V124-L128 HydrophobicContact CG1-CG 4.35Å; V124-L128 WeakPolarHBondContact O-CB 3.44Å; V124-L128 VanDerWaalsContact O-CG 3.24Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.27Å; Q125-L128 PolarHBondContact O-N 2.95Å; L128-F131 PolarHBondContact O-N 3.47Å; L128-H132 VanDerWaalsContact O-CB 3.28Å; L128-H132 WeakPolarHBondContact O-CB 3.47Å; L128-H132 PolarHBondContact O-N 2.99Å |
| 129 | D | 86 | Confident | 78.7 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 35% | 0.348 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.5 | -70.9 | -21.9 | 0 | 0 | 0 | 109.8 | K121 Q125 A126 H132 S133 | K121-D129 IonicContact NZ-OD1 2.91Å; K121-D129 IonicContact NZ-OD2 3.8Å; K121-D129 PolarHBondContact NZ-OD2 3.49Å; Q125-D129 PolarHBondContact NE2-OD1 3Å; Q125-D129 VanDerWaalsContact O-CB 3.31Å; Q125-D129 WeakPolarHBondContact O-CB 3.45Å; Q125-D129 PolarHBondContact O-N 3.06Å; A126-D129 PolarHBondContact O-N 3.5Å; D129-H132 PolarHBondContact O-N 3.43Å; D129-S133 WeakPolarHBondContact O-CB 3.45Å; D129-S133 PolarHBondContact O-N 3.43Å |
| 130 | A | 88.3 | Confident | 80.8 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 44% | 0.438 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A126 D127 H132 S133 G134 | A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 3.01Å; D127-A130 PolarHBondContact O-N 2.89Å; A130-H132 PolarHBondContact O-N 2.78Å; A130-S133 PolarHBondContact O-N 2.67Å; A130-S133 PolarHBondContact O-OG 3.19Å; A130-G134 PolarHBondContact O-N 3.05Å |
| 131 | F | 90.3 | Very high | 82.9 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 174.3 | 176 | -94.6 | 0 | 0 | 0 | 111.5 | D127 L128 S133 G134 F135 L173 | D127-F131 VanDerWaalsContact O-CB 3.27Å; D127-F131 WeakPolarHBondContact O-CB 3.33Å; D127-F131 PolarHBondContact O-N 3.45Å; L128-F131 PolarHBondContact O-N 3.47Å; F131-S133 VanDerWaalsContact C-N 3.33Å; F131-S133 PolarHBondContact O-N 3.16Å; F131-G134 PolarHBondContact O-N 3.12Å; F131-F135 HydrophobicContact CE1-CB 4.46Å; F131-F135 WeakPolarHBondContact O-CB 3.29Å; F131-F135 PolarHBondContact O-N 3.02Å; F131-L173 HydrophobicContact CE1-CB 4.2Å; F131-L173 HydrophobicContact CE1-CD1 3.87Å; F131-L173 HydrophobicContact CZ-CD1 3.86Å |
| 132 | H | 89.1 | Confident | 84.9 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 31% | 0.31 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 178 | 179.9 | -95.7 | 0 | 0 | 0 | 111.7 | L128 D129 A130 G134 F135 Q136 | L128-H132 VanDerWaalsContact O-CB 3.28Å; L128-H132 WeakPolarHBondContact O-CB 3.47Å; L128-H132 PolarHBondContact O-N 2.99Å; D129-H132 PolarHBondContact O-N 3.43Å; A130-H132 PolarHBondContact O-N 2.78Å; H132-G134 VanDerWaalsContact C-N 3.35Å; H132-F135 PolarHBondContact O-N 2.95Å; H132-Q136 VanDerWaalsContact O-CB 3.23Å; H132-Q136 WeakPolarHBondContact O-CB 3.21Å; H132-Q136 PolarHBondContact O-N 3.27Å |
| 133 | S | 88.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 175 | 79.3 | 0 | 0 | 0 | 0 | 112.1 | D129 A130 F131 T137 | D129-S133 WeakPolarHBondContact O-CB 3.45Å; D129-S133 PolarHBondContact O-N 3.43Å; A130-S133 PolarHBondContact O-N 2.67Å; A130-S133 PolarHBondContact O-OG 3.19Å; F131-S133 VanDerWaalsContact C-N 3.33Å; F131-S133 PolarHBondContact O-N 3.16Å; S133-T137 WeakPolarHBondContact O-CB 3.26Å; S133-T137 PolarHBondContact O-N 3.48Å; S133-T137 PolarHBondContact O-OG1 3.03Å |
| 134 | G | 92.7 | Very high | 87.9 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A130 F131 H132 T137 C138 | A130-G134 PolarHBondContact O-N 3.05Å; F131-G134 PolarHBondContact O-N 3.12Å; H132-G134 VanDerWaalsContact C-N 3.35Å; G134-T137 PolarHBondContact O-N 3.42Å; G134-C138 WeakPolarHBondContact O-CB 3.25Å; G134-C138 PolarHBondContact O-N 2.97Å |
| 135 | F | 94.3 | Very high | 89 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 174.9 | -178.1 | -85 | 0 | 0 | 0 | 111.1 | F131 H132 T137 C138 A139 L166 V169 A170 L173 | F131-F135 HydrophobicContact CE1-CB 4.46Å; F131-F135 WeakPolarHBondContact O-CB 3.29Å; F131-F135 PolarHBondContact O-N 3.02Å; H132-F135 PolarHBondContact O-N 2.95Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.45Å; F135-C138 PolarHBondContact O-N 2.84Å; F135-A139 HydrophobicContact CE1-CB 4.44Å; F135-A139 WeakPolarHBondContact O-CB 3.4Å; F135-A139 PolarHBondContact O-N 2.65Å; F135-L166 HydrophobicContact CE1-CB 4.48Å; F135-L166 VanDerWaalsContact CE1-O 3.3Å; F135-L166 WeakPolarHBondContact CE1-O 3.41Å; F135-L166 HydrophobicContact CZ-CB 4.5Å; F135-L166 HydrophobicContact CZ-CD2 4.22Å; F135-L166 WeakPolarHBondContact CZ-O 3.21Å; F135-V169 HydrophobicContact CE2-CG1 4.08Å; F135-V169 HydrophobicContact CZ-CB 4.28Å; F135-V169 HydrophobicContact CZ-CG1 4.01Å; F135-A170 HydrophobicContact CD1-CB 3.83Å; F135-A170 HydrophobicContact CE1-CB 3.62Å; F135-A170 HydrophobicContact CZ-CB 4.39Å; F135-L173 HydrophobicContact CD2-CD1 4.41Å; F135-L173 HydrophobicContact CE2-CD1 4.31Å |
| 136 | Q | 92.4 | Very high | 89.9 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | 179.1 | -171.1 | 179.5 | 70.1 | 0 | 0 | 111.7 | H132 K140 | H132-Q136 VanDerWaalsContact O-CB 3.23Å; H132-Q136 WeakPolarHBondContact O-CB 3.21Å; H132-Q136 PolarHBondContact O-N 3.27Å; Q136-K140 WeakPolarHBondContact O-CB 3.39Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.39Å; Q136-K140 PolarHBondContact O-N 3.2Å |
| 137 | T | 93.6 | Very high | 90.3 | Very high | 78 Ų | 78 | 70.5 Ų | 70.5 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -47.7 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | S133 G134 F135 A139 K140 E141 | S133-T137 WeakPolarHBondContact O-CB 3.26Å; S133-T137 PolarHBondContact O-N 3.48Å; S133-T137 PolarHBondContact O-OG1 3.03Å; G134-T137 PolarHBondContact O-N 3.42Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.45Å; T137-A139 PolarHBondContact O-N 2.99Å; T137-K140 WeakPolarHBondContact O-CB 3.36Å; T137-K140 PolarHBondContact O-N 3.29Å; T137-K140 VanDerWaalsContact O-N 3.16Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3.44Å |
| 138 | C | 94.4 | Very high | 90.6 | Very high | 77 Ų | 77 | 73.4 Ų | 73.4 | 52% | 0.52 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | G134 F135 K140 E141 V142 | G134-C138 WeakPolarHBondContact O-CB 3.25Å; G134-C138 PolarHBondContact O-N 2.97Å; F135-C138 PolarHBondContact O-N 2.84Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.16Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-E141 VanDerWaalsContact O-N 3.16Å; C138-V142 WeakPolarHBondContact O-CG2 3.48Å; C138-V142 PolarHBondContact O-N 2.97Å |
| 139 | A | 92.7 | Very high | 90.6 | Very high | 13 Ų | 13 | 77.8 Ų | 77.8 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F135 T137 V142 L143 L166 | F135-A139 HydrophobicContact CE1-CB 4.44Å; F135-A139 WeakPolarHBondContact O-CB 3.4Å; F135-A139 PolarHBondContact O-N 2.65Å; T137-A139 PolarHBondContact O-N 2.99Å; A139-V142 PolarHBondContact O-N 3.35Å; A139-L143 WeakPolarHBondContact O-CD1 3.46Å; A139-L143 VanDerWaalsContact O-CG 3.25Å; A139-L143 WeakPolarHBondContact O-CG 3.49Å; A139-L143 PolarHBondContact O-N 2.96Å; A139-L143 VanDerWaalsContact O-N 3.1Å; A139-L166 HydrophobicContact CB-CD1 3.85Å |
| 140 | K | 91.5 | Very high | 90.4 | Very high | 122 Ų | 122 | 80.2 Ų | 80.2 | 53% | 0.53 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.8 | -75.4 | 170.6 | 179.4 | 173.7 | 0 | 112.1 | Q136 T137 C138 L143 Q144 | Q136-K140 WeakPolarHBondContact O-CB 3.39Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.39Å; Q136-K140 PolarHBondContact O-N 3.2Å; T137-K140 WeakPolarHBondContact O-CB 3.36Å; T137-K140 PolarHBondContact O-N 3.29Å; T137-K140 VanDerWaalsContact O-N 3.16Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.16Å; K140-L143 PolarHBondContact O-N 3.46Å; K140-Q144 WeakPolarHBondContact O-CB 3.46Å; K140-Q144 PolarHBondContact O-N 3.35Å |
| 141 | E | 93.6 | Very high | 90 | Very high | 105 Ų | 105 | 82.2 Ų | 82.2 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.7 | -71.7 | -59.8 | 133.7 | 0 | 0 | 112 | T137 C138 L143 Q144 Y145 | T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3.44Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-E141 VanDerWaalsContact O-N 3.16Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.87Å; E141-Y145 WeakPolarHBondContact O-CB 3.35Å; E141-Y145 PolarHBondContact O-N 3.46Å |
| 142 | V | 91.6 | Very high | 89.6 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | C138 A139 Q144 Y145 L146 L162 | C138-V142 WeakPolarHBondContact O-CG2 3.48Å; C138-V142 PolarHBondContact O-N 2.97Å; A139-V142 PolarHBondContact O-N 3.35Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 2.98Å; V142-Y145 PolarHBondContact O-N 3.32Å; V142-L146 HydrophobicContact CG1-CD1 4.05Å; V142-L146 WeakPolarHBondContact O-CG 3.44Å; V142-L146 PolarHBondContact O-N 3.11Å; V142-L162 HydrophobicContact CG1-CD2 4.44Å |
| 143 | L | 89.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 177.2 | -67 | 165 | 0 | 0 | 0 | 111.9 | A139 K140 E141 A147 L162 V163 | A139-L143 WeakPolarHBondContact O-CD1 3.46Å; A139-L143 VanDerWaalsContact O-CG 3.25Å; A139-L143 WeakPolarHBondContact O-CG 3.49Å; A139-L143 PolarHBondContact O-N 2.96Å; A139-L143 VanDerWaalsContact O-N 3.1Å; K140-L143 PolarHBondContact O-N 3.46Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.35Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 2.96Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; L143-V163 HydrophobicContact CD1-CG2 3.71Å; L143-V163 HydrophobicContact CD2-CG2 3.6Å; L143-V163 HydrophobicContact CG-CG2 4.31Å |
| 144 | Q | 90.5 | Very high | 88.5 | Confident | 74 Ų | 74 | 82.6 Ų | 82.6 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 175.2 | -172.3 | -177.8 | 83.4 | 0 | 0 | 111.6 | K140 E141 V142 R148 | K140-Q144 WeakPolarHBondContact O-CB 3.46Å; K140-Q144 PolarHBondContact O-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.87Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 2.98Å; Q144-R148 WeakPolarHBondContact O-CB 3.37Å; Q144-R148 VanDerWaalsContact O-CG 3.3Å; Q144-R148 WeakPolarHBondContact O-CG 3.28Å; Q144-R148 PolarHBondContact O-N 3.08Å |
| 145 | Y | 90.8 | Very high | 87.8 | Confident | 138 Ų | 138 | 92 Ų | 92 | 54% | 0.541 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 175.5 | -179.6 | -88.9 | 0 | 0 | 0 | 111.2 | E141 V142 A147 R148 F149 | E141-Y145 WeakPolarHBondContact O-CB 3.35Å; E141-Y145 PolarHBondContact O-N 3.46Å; V142-Y145 PolarHBondContact O-N 3.32Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.02Å; Y145-R148 PolarHBondContact O-N 3.21Å; Y145-R148 VanDerWaalsContact O-N 3.13Å; Y145-F149 HydrophobicContact CD1-CD2 4.21Å; Y145-F149 AromaticContact CD2-CD2 3.32Å; Y145-F149 HydrophobicContact CD2-CD2 3.32Å; Y145-F149 AromaticContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CE2 3.4Å; Y145-F149 VanDerWaalsContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CG 4.39Å; Y145-F149 HydrophobicContact CE1-CB 4.28Å; Y145-F149 HydrophobicContact CE1-CD2 4.12Å; Y145-F149 HydrophobicContact CE1-CG 4.39Å; Y145-F149 AromaticContact CE2-CD2 3.21Å; Y145-F149 HydrophobicContact CE2-CD2 3.21Å; Y145-F149 AromaticContact CE2-CE2 3.27Å; Y145-F149 HydrophobicContact CE2-CE2 3.27Å; Y145-F149 AromaticContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CZ 4.06Å; Y145-F149 AromaticContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CE2 4.32Å; Y145-F149 AromaticContact CZ-CD2 3.63Å; Y145-F149 AromaticContact CZ-CG 3.94Å; Y145-F149 WeakPolarHBondContact O-CD2 3.47Å; Y145-F149 PolarHBondContact O-N 3.36Å |
| 146 | L | 89.6 | Confident | 87.3 | Confident | 25 Ų | 25 | 92.8 Ų | 92.8 | 13% | 0.131 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 178.8 | -68.3 | 172.1 | 0 | 0 | 0 | 112.5 | V142 R148 E150 S151 W152 L162 | V142-L146 HydrophobicContact CG1-CD1 4.05Å; V142-L146 WeakPolarHBondContact O-CG 3.44Å; V142-L146 PolarHBondContact O-N 3.11Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.42Å; L146-E150 CarbonylContact O-C 3.59Å; L146-E150 WeakPolarHBondContact O-CA 3.4Å; L146-E150 PolarHBondContact O-N 3.48Å; L146-S151 PolarHBondContact O-N 2.73Å; L146-W152 HydrophobicContact CB-CB 4.41Å; L146-W152 HydrophobicContact CB-CD2 4.36Å; L146-W152 HydrophobicContact CB-CG 4.3Å; L146-W152 HydrophobicContact CD1-CE3 4.15Å; L146-W152 HydrophobicContact CD1-CZ3 4.19Å; L146-W152 PolarHBondContact O-N 3.44Å; L146-L162 HydrophobicContact CD1-CD2 3.36Å |
| 147 | A | 88.2 | Confident | 87 | Confident | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L143 Y145 | L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 2.96Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.02Å |
| 148 | R | 89 | Confident | 86.6 | Confident | 174 Ų | 174 | 96.3 Ų | 96.3 | 66% | 0.657 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -78.4 | -46 | -178.9 | -76.7 | 178.9 | 178.8 | 157.1 | 5.1 | 113.7 | Q144 Y145 L146 | Q144-R148 WeakPolarHBondContact O-CB 3.37Å; Q144-R148 VanDerWaalsContact O-CG 3.3Å; Q144-R148 WeakPolarHBondContact O-CG 3.28Å; Q144-R148 PolarHBondContact O-N 3.08Å; Y145-R148 PolarHBondContact O-N 3.21Å; Y145-R148 VanDerWaalsContact O-N 3.13Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.42Å |
| 149 | F | 85.5 | Confident | 86.2 | Confident | 148 Ų | 148 | 93.5 Ų | 93.5 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -95.2 | -34.1 | -170.7 | -73.4 | -82.3 | 0 | 0 | 0 | 113.5 | Y145 | Y145-F149 HydrophobicContact CD1-CD2 4.21Å; Y145-F149 AromaticContact CD2-CD2 3.32Å; Y145-F149 HydrophobicContact CD2-CD2 3.32Å; Y145-F149 AromaticContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CE2 3.4Å; Y145-F149 VanDerWaalsContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CG 4.39Å; Y145-F149 HydrophobicContact CE1-CB 4.28Å; Y145-F149 HydrophobicContact CE1-CD2 4.12Å; Y145-F149 HydrophobicContact CE1-CG 4.39Å; Y145-F149 AromaticContact CE2-CD2 3.21Å; Y145-F149 HydrophobicContact CE2-CD2 3.21Å; Y145-F149 AromaticContact CE2-CE2 3.27Å; Y145-F149 HydrophobicContact CE2-CE2 3.27Å; Y145-F149 AromaticContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CZ 4.06Å; Y145-F149 AromaticContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CE2 4.32Å; Y145-F149 AromaticContact CZ-CD2 3.63Å; Y145-F149 AromaticContact CZ-CG 3.94Å; Y145-F149 WeakPolarHBondContact O-CD2 3.47Å; Y145-F149 PolarHBondContact O-N 3.36Å |
| 150 | E | 81.1 | Confident | 86 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -109.8 | 6.1 | -175.4 | -155 | 149.2 | -164.2 | 0 | 0 | 112.4 | L146 W152 | L146-E150 CarbonylContact O-C 3.59Å; L146-E150 WeakPolarHBondContact O-CA 3.4Å; L146-E150 PolarHBondContact O-N 3.48Å; E150-W152 PolarHBondContact O-N 3.34Å; E150-W152 VanDerWaalsContact O-N 3.13Å |
| 151 | S | 80.3 | Confident | 86 | Confident | 95 Ų | 95 | 96.2 Ų | 96.2 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | trans | 54 | 27.9 | 179.8 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | L146 T153 | L146-S151 PolarHBondContact O-N 2.73Å; S151-T153 PolarHBondContact O-N 3.25Å | ||
| 152 | W | 83.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 93.4 Ų | 93.4 | 18% | 0.178 | 47% | 0.465 | C | S | . | . | trans | -61.4 | 113.7 | 177.4 | -80.2 | 32.4 | 0 | 0 | 0 | 109.4 | L146 E150 R158 C159 L162 | L146-W152 HydrophobicContact CB-CB 4.41Å; L146-W152 HydrophobicContact CB-CD2 4.36Å; L146-W152 HydrophobicContact CB-CG 4.3Å; L146-W152 HydrophobicContact CD1-CE3 4.15Å; L146-W152 HydrophobicContact CD1-CZ3 4.19Å; L146-W152 PolarHBondContact O-N 3.44Å; E150-W152 PolarHBondContact O-N 3.34Å; E150-W152 VanDerWaalsContact O-N 3.13Å; W152-R158 HydrophobicContact CE3-CB 4.4Å; W152-R158 HydrophobicContact CH2-CB 3.73Å; W152-R158 HydrophobicContact CZ2-CB 4.21Å; W152-R158 HydrophobicContact CZ3-CB 3.83Å; W152-C159 HydrophobicContact CE3-CB 3.78Å; W152-C159 HydrophobicContact CZ3-CB 4.38Å; W152-L162 HydrophobicContact CZ3-CB 4.42Å; W152-L162 HydrophobicContact CZ3-CD2 4.23Å | ||
| 153 | T | 79.6 | Confident | 85.8 | Confident | 73 Ų | 73 | 93.6 Ų | 93.6 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | trans | -79.2 | 146.7 | 174.5 | 67.5 | 0 | 0 | 0 | 0 | 109.2 | S151 R155 E156 | S151-T153 PolarHBondContact O-N 3.25Å; T153-R155 PolarHBondContact O-N 2.95Å; T153-E156 WeakPolarHBondContact O-CB 3.5Å; T153-E156 PolarHBondContact O-N 3.13Å | ||
| 154 | P | 75 | Confident | 85.8 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 79% | 0.792 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -6.6 | 174.7 | 25.8 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 155 | R | 76.5 | Confident | 85.9 | Confident | 234 Ų | 234 | 97.3 Ų | 97.3 | 88% | 0.883 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.7 | 174.5 | -68.3 | -171.5 | 178.2 | 176.1 | 0.6 | 113.4 | T153 | T153-R155 PolarHBondContact O-N 2.95Š|
| 156 | E | 84.2 | Confident | 86 | Confident | 62 Ų | 62 | 92.4 Ų | 92.4 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -76.4 | 132.8 | -176.4 | -158.2 | 165.3 | 171.3 | 0 | 0 | 110.6 | T153 R158 C159 A160 | T153-E156 WeakPolarHBondContact O-CB 3.5Å; T153-E156 PolarHBondContact O-N 3.13Å; E156-R158 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact O-N 3.11Å; E156-C159 PolarHBondContact O-N 3.46Å; E156-A160 PolarHBondContact O-N 3.09Å |
| 157 | P | 85.9 | Confident | 86 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.2 | -29 | -176.1 | 22.9 | -34.6 | 0 | 0 | 0 | 112.6 | A160 Q161 | P157-A160 PolarHBondContact O-N 3.35Å; P157-Q161 WeakPolarHBondContact O-CB 3.23Å; P157-Q161 WeakPolarHBondContact O-CG 3.19Å; P157-Q161 PolarHBondContact O-N 3.13Å |
| 158 | R | 85.8 | Confident | 86.1 | Confident | 152 Ų | 152 | 96.4 Ų | 96.4 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -40.9 | 177.2 | -64 | 179.6 | 177.3 | -179 | 0.4 | 112.5 | W152 E156 Q161 L162 | W152-R158 HydrophobicContact CE3-CB 4.4Å; W152-R158 HydrophobicContact CH2-CB 3.73Å; W152-R158 HydrophobicContact CZ2-CB 4.21Å; W152-R158 HydrophobicContact CZ3-CB 3.83Å; E156-R158 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact O-N 3.11Å; R158-Q161 PolarHBondContact O-N 2.91Å; R158-L162 WeakPolarHBondContact O-CB 3.5Å; R158-L162 PolarHBondContact O-N 3.02Å |
| 159 | C | 86.8 | Confident | 86.1 | Confident | 18 Ų | 18 | 89.9 Ų | 89.9 | 12% | 0.122 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 176.6 | -173 | 0 | 0 | 0 | 0 | 110.6 | W152 E156 Q161 L162 V163 | W152-C159 HydrophobicContact CE3-CB 3.78Å; W152-C159 HydrophobicContact CZ3-CB 4.38Å; E156-C159 PolarHBondContact O-N 3.46Å; C159-Q161 VanDerWaalsContact C-N 3.34Å; C159-Q161 PolarHBondContact O-N 3.49Å; C159-L162 PolarHBondContact O-N 3.41Å; C159-V163 VanDerWaalsContact O-CG2 3.29Å; C159-V163 WeakPolarHBondContact O-CG2 3.11Å; C159-V163 PolarHBondContact O-N 3.21Å |
| 160 | A | 87.6 | Confident | 86.3 | Confident | 59 Ų | 59 | 83.3 Ų | 83.3 | 49% | 0.488 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E156 P157 V163 S164 | E156-A160 PolarHBondContact O-N 3.09Å; P157-A160 PolarHBondContact O-N 3.35Å; A160-V163 PolarHBondContact O-N 3.29Å; A160-S164 VanDerWaalsContact O-CB 3.29Å; A160-S164 WeakPolarHBondContact O-CB 3.21Å; A160-S164 PolarHBondContact O-N 2.92Å |
| 161 | Q | 91.3 | Very high | 86.5 | Confident | 133 Ų | 133 | 80.8 Ų | 80.8 | 62% | 0.621 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 174.6 | -76.5 | 169.7 | -8 | 0 | 0 | 111.9 | P157 R158 C159 S164 H165 | P157-Q161 WeakPolarHBondContact O-CB 3.23Å; P157-Q161 WeakPolarHBondContact O-CG 3.19Å; P157-Q161 PolarHBondContact O-N 3.13Å; R158-Q161 PolarHBondContact O-N 2.91Å; C159-Q161 VanDerWaalsContact C-N 3.34Å; C159-Q161 PolarHBondContact O-N 3.49Å; Q161-S164 PolarHBondContact O-N 2.96Å; Q161-H165 WeakPolarHBondContact O-CB 3.17Å; Q161-H165 PolarHBondContact O-N 3.46Å |
| 162 | L | 91.4 | Very high | 86.7 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.8 | -179.3 | 65.9 | 0 | 0 | 0 | 111.7 | V142 L143 L146 W152 R158 C159 S164 H165 L166 | V142-L162 HydrophobicContact CG1-CD2 4.44Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; L146-L162 HydrophobicContact CD1-CD2 3.36Å; W152-L162 HydrophobicContact CZ3-CB 4.42Å; W152-L162 HydrophobicContact CZ3-CD2 4.23Å; R158-L162 WeakPolarHBondContact O-CB 3.5Å; R158-L162 PolarHBondContact O-N 3.02Å; C159-L162 PolarHBondContact O-N 3.41Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3.43Å; L162-H165 PolarHBondContact O-N 2.92Å; L162-L166 HydrophobicContact CD1-CD1 4.36Å; L162-L166 HydrophobicContact CD1-CG 4.26Å; L162-L166 HydrophobicContact CG-CD1 4.12Å; L162-L166 HydrophobicContact CG-CG 4.39Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.13Å |
| 163 | V | 89.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 177 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L143 C159 A160 H165 L166 H167 | L143-V163 HydrophobicContact CD1-CG2 3.71Å; L143-V163 HydrophobicContact CD2-CG2 3.6Å; L143-V163 HydrophobicContact CG-CG2 4.31Å; C159-V163 VanDerWaalsContact O-CG2 3.29Å; C159-V163 WeakPolarHBondContact O-CG2 3.11Å; C159-V163 PolarHBondContact O-N 3.21Å; A160-V163 PolarHBondContact O-N 3.29Å; V163-H165 VanDerWaalsContact C-N 3.33Å; V163-H165 PolarHBondContact O-N 2.91Å; V163-L166 PolarHBondContact O-N 3.33Å; V163-H167 WeakPolarHBondContact O-CB 3.24Å; V163-H167 PolarHBondContact O-N 3.46Å |
| 164 | S | 90.8 | Very high | 85.9 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 56% | 0.559 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | A160 Q161 L162 H167 A168 | A160-S164 VanDerWaalsContact O-CB 3.29Å; A160-S164 WeakPolarHBondContact O-CB 3.21Å; A160-S164 PolarHBondContact O-N 2.92Å; Q161-S164 PolarHBondContact O-N 2.96Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3.43Å; S164-H167 PolarHBondContact O-N 3.16Å; S164-A168 WeakPolarHBondContact O-CB 2.81Å; S164-A168 PolarHBondContact O-N 2.92Å |
| 165 | H | 92.4 | Very high | 85.3 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 175.5 | -179.9 | -91.4 | 0 | 0 | 0 | 112.1 | Q161 L162 V163 H167 A168 V169 | Q161-H165 WeakPolarHBondContact O-CB 3.17Å; Q161-H165 PolarHBondContact O-N 3.46Å; L162-H165 PolarHBondContact O-N 2.92Å; V163-H165 VanDerWaalsContact C-N 3.33Å; V163-H165 PolarHBondContact O-N 2.91Å; H165-H167 VanDerWaalsContact C-N 3.29Å; H165-H167 PolarHBondContact O-N 2.91Å; H165-A168 CarbonylContact O-C 3.52Å; H165-A168 WeakPolarHBondContact O-CB 3.44Å; H165-A168 PolarHBondContact O-N 2.81Å; H165-A168 VanDerWaalsContact O-N 3.12Å; H165-V169 VanDerWaalsContact CE1-CG2 3.48Å; H165-V169 WeakPolarHBondContact CE1-CG2 3.4Å; H165-V169 WeakPolarHBondContact O-CG2 3.45Å; H165-V169 PolarHBondContact O-N 3.13Å |
| 166 | L | 92 | Very high | 84.2 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 18% | 0.183 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.6 | -69.7 | 177.1 | 0 | 0 | 0 | 111.5 | F135 A139 L162 V163 V169 A170 | F135-L166 HydrophobicContact CE1-CB 4.48Å; F135-L166 VanDerWaalsContact CE1-O 3.3Å; F135-L166 WeakPolarHBondContact CE1-O 3.41Å; F135-L166 HydrophobicContact CZ-CB 4.5Å; F135-L166 HydrophobicContact CZ-CD2 4.22Å; F135-L166 WeakPolarHBondContact CZ-O 3.21Å; A139-L166 HydrophobicContact CB-CD1 3.85Å; L162-L166 HydrophobicContact CD1-CD1 4.36Å; L162-L166 HydrophobicContact CD1-CG 4.26Å; L162-L166 HydrophobicContact CG-CD1 4.12Å; L162-L166 HydrophobicContact CG-CG 4.39Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.13Å; V163-L166 PolarHBondContact O-N 3.33Å; L166-V169 PolarHBondContact O-N 3.11Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 3.5Å |
| 167 | H | 89.8 | Confident | 82.4 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 59% | 0.593 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 173.5 | -174.2 | -85.1 | 0 | 0 | 0 | 111.7 | V163 S164 H165 A170 T171 | V163-H167 WeakPolarHBondContact O-CB 3.24Å; V163-H167 PolarHBondContact O-N 3.46Å; S164-H167 PolarHBondContact O-N 3.16Å; H165-H167 VanDerWaalsContact C-N 3.29Å; H165-H167 PolarHBondContact O-N 2.91Å; H167-A170 WeakPolarHBondContact O-CB 3.26Å; H167-A170 PolarHBondContact O-N 3.16Å; H167-T171 WeakPolarHBondContact O-CG2 3.19Å; H167-T171 PolarHBondContact O-N 3.23Å; H167-T171 PolarHBondContact O-OG1 2.8Å |
| 168 | A | 91.4 | Very high | 80.3 | Confident | 34 Ų | 34 | 82 Ų | 82 | 28% | 0.281 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S164 H165 T171 Q172 | S164-A168 WeakPolarHBondContact O-CB 2.81Å; S164-A168 PolarHBondContact O-N 2.92Å; H165-A168 CarbonylContact O-C 3.52Å; H165-A168 WeakPolarHBondContact O-CB 3.44Å; H165-A168 PolarHBondContact O-N 2.81Å; H165-A168 VanDerWaalsContact O-N 3.12Å; A168-T171 WeakPolarHBondContact CA-OG1 3.46Å; A168-T171 PolarHBondContact O-N 3.47Å; A168-T171 PolarHBondContact O-OG1 2.84Å; A168-Q172 WeakPolarHBondContact O-CB 3.27Å; A168-Q172 WeakPolarHBondContact O-CG 3.34Å; A168-Q172 PolarHBondContact O-N 2.98Å |
| 169 | V | 89.6 | Confident | 78.2 | Confident | 36 Ų | 36 | 80.7 Ų | 80.7 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | F135 H165 L166 T171 Q172 L173 | F135-V169 HydrophobicContact CE2-CG1 4.08Å; F135-V169 HydrophobicContact CZ-CB 4.28Å; F135-V169 HydrophobicContact CZ-CG1 4.01Å; H165-V169 VanDerWaalsContact CE1-CG2 3.48Å; H165-V169 WeakPolarHBondContact CE1-CG2 3.4Å; H165-V169 WeakPolarHBondContact O-CG2 3.45Å; H165-V169 PolarHBondContact O-N 3.13Å; L166-V169 PolarHBondContact O-N 3.11Å; V169-T171 VanDerWaalsContact C-N 3.31Å; V169-T171 PolarHBondContact O-N 2.96Å; V169-Q172 PolarHBondContact O-N 2.98Å; V169-L173 HydrophobicContact CG1-CD1 3.84Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 VanDerWaalsContact O-CG 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.17Å; V169-L173 PolarHBondContact O-N 3.44Å |
| 170 | A | 87.8 | Confident | 76 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 8% | 0.083 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F135 L166 H167 L174 | F135-A170 HydrophobicContact CD1-CB 3.83Å; F135-A170 HydrophobicContact CE1-CB 3.62Å; F135-A170 HydrophobicContact CZ-CB 4.39Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 3.5Å; H167-A170 WeakPolarHBondContact O-CB 3.26Å; H167-A170 PolarHBondContact O-N 3.16Å; A170-L174 WeakPolarHBondContact O-CG 3.16Å; A170-L174 PolarHBondContact O-N 3.19Å |
| 171 | T | 85.4 | Confident | 73.5 | Confident | 64 Ų | 64 | 85.5 Ų | 85.5 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.6 | -33.6 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | H167 A168 V169 L174 T175 | H167-T171 WeakPolarHBondContact O-CG2 3.19Å; H167-T171 PolarHBondContact O-N 3.23Å; H167-T171 PolarHBondContact O-OG1 2.8Å; A168-T171 WeakPolarHBondContact CA-OG1 3.46Å; A168-T171 PolarHBondContact O-N 3.47Å; A168-T171 PolarHBondContact O-OG1 2.84Å; V169-T171 VanDerWaalsContact C-N 3.31Å; V169-T171 PolarHBondContact O-N 2.96Å; T171-L174 PolarHBondContact O-N 3.48Å; T171-T175 PolarHBondContact O-N 3.29Å; T171-T175 PolarHBondContact O-OG1 3.49Å |
| 172 | Q | 85.5 | Confident | 71.1 | Confident | 128 Ų | 128 | 91.6 Ų | 91.6 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 173.6 | -76.6 | 173.5 | 17.7 | 0 | 0 | 112.1 | A168 V169 L174 T175 | A168-Q172 WeakPolarHBondContact O-CB 3.27Å; A168-Q172 WeakPolarHBondContact O-CG 3.34Å; A168-Q172 PolarHBondContact O-N 2.98Å; V169-Q172 PolarHBondContact O-N 2.98Å; Q172-L174 PolarHBondContact O-N 3.37Å; Q172-T175 PolarHBondContact O-N 3.07Å |
| 173 | L | 77.6 | Confident | 68.4 | Low | 90 Ų | 90 | 93.1 Ų | 93.1 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.1 | -25.3 | 179.5 | -68.4 | 171.4 | 0 | 0 | 0 | 113 | F131 F135 V169 T175 | F131-L173 HydrophobicContact CE1-CB 4.2Å; F131-L173 HydrophobicContact CE1-CD1 3.87Å; F131-L173 HydrophobicContact CZ-CD1 3.86Å; F135-L173 HydrophobicContact CD2-CD1 4.41Å; F135-L173 HydrophobicContact CE2-CD1 4.31Å; V169-L173 HydrophobicContact CG1-CD1 3.84Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 VanDerWaalsContact O-CG 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.17Å; V169-L173 PolarHBondContact O-N 3.44Å; L173-T175 VanDerWaalsContact C-N 3.35Å |
| 174 | L | 68.6 | Low | 66.2 | Low | 67 Ų | 67 | 96.5 Ų | 96.5 | 35% | 0.351 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -81.3 | -14.2 | 176.8 | -68.8 | 170.1 | 0 | 0 | 0 | 113.6 | A170 T171 Q172 | A170-L174 WeakPolarHBondContact O-CG 3.16Å; A170-L174 PolarHBondContact O-N 3.19Å; T171-L174 PolarHBondContact O-N 3.48Å; Q172-L174 PolarHBondContact O-N 3.37Å |
| 175 | T | 62 | Low | 63.6 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -112.3 | 104.9 | 177.4 | -42.9 | 0 | 0 | 0 | 0 | 107.3 | T171 Q172 L173 Q177 | T171-T175 PolarHBondContact O-N 3.29Å; T171-T175 PolarHBondContact O-OG1 3.49Å; Q172-T175 PolarHBondContact O-N 3.07Å; L173-T175 VanDerWaalsContact C-N 3.35Å; T175-Q177 HydrophobicContact CG2-CG 4.39Å; T175-Q177 PolarHBondContact O-N 3.26Å |
| 176 | P | 54 | Low | 61 | Low | 122 Ų | 122 | 101.9 Ų | 101.9 | 79% | 0.792 | 59% | 0.591 | S | S | * | * | trans | -61.9 | 88.3 | 168.7 | -16.5 | 29.6 | 0 | 0 | 0 | 107.8 | V178 | P176-V178 VanDerWaalsContact C-N 3.34Å; P176-V178 PolarHBondContact O-N 3.15Å | ||
| 177 | Q | 46 | Very low | 58.5 | Low | 147 Ų | 147 | 104.8 Ų | 104.8 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | trans | -69.5 | 100.1 | 174.4 | -70.2 | -73.8 | 23.8 | 0 | 0 | 105.9 | T175 | T175-Q177 HydrophobicContact CG2-CG 4.39Å; T175-Q177 PolarHBondContact O-N 3.26Å | ||
| 178 | V | 41.9 | Very low | 56.1 | Low | 121 Ų | 121 | 104.3 Ų | 104.3 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | trans | -51.1 | 121.3 | 150.1 | 177.6 | 0 | 0 | 0 | 0 | 105.3 | P176 S180 | P176-V178 VanDerWaalsContact C-N 3.34Å; P176-V178 PolarHBondContact O-N 3.15Å; V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 3.44Å | ||
| 179 | P | 42.3 | Very low | 53.4 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 80% | 0.799 | 65% | 0.654 | S | S | * | * | trans | -71.1 | 89 | -174.9 | 28.7 | -32.6 | 0 | 0 | 0 | 108.6 | ||||
| 180 | S | 39.1 | Very low | 51.1 | Low | 119 Ų | 119 | 112.1 Ų | 112.1 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | trans | -82.9 | 117.4 | 161.9 | -164 | 0 | 0 | 0 | 0 | 107.4 | V178 | V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 3.44Å | ||
| 181 | G | 36 | Very low | 48.7 | Very low | 60 Ų | 60 | 116.8 Ų | 116.8 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | trans | -69.3 | 162.3 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 182 | R | 39.7 | Very low | 46.3 | Very low | 260 Ų | 260 | 117.2 Ų | 117.2 | 98% | 0.981 | 74% | 0.737 | S | S | * | * | trans | 55.4 | 114.5 | 143.4 | -63.6 | 178.8 | -174.2 | -162.6 | 0.4 | 117 | ||||
| 183 | G | 34.7 | Very low | 44 | Very low | 79 Ų | 79 | 116 Ų | 116 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | 162.5 | 63.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 184 | S | 43.2 | Very low | 42 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | trans | -61.9 | 130.9 | 156 | 179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 185 | G | 37 | Very low | 40.4 | Very low | 65 Ų | 65 | 117.8 Ų | 117.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 125.1 | 96.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 186 | R | 38.2 | Very low | 39.2 | Very low | 244 Ų | 244 | 118.6 Ų | 118.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | 66.7 | 101.9 | 126.5 | -157.1 | 171.3 | -174.6 | 174 | -0 | 119.3 | |||||
| 187 | A | 39.4 | Very low | 38.8 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 41.5 | 146.3 | 137 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 188 | P | 38.2 | Very low | 38.3 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -110.3 | 136.2 | -150.6 | 36.3 | -23.1 | 0 | 0 | 0 | 114.3 | ||||
| 189 | C | 35.9 | Very low | 38.2 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -151.8 | 133.9 | 163.9 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 190 | S | 40.2 | Very low | 37.9 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | 66.6 | 107.8 | 146.3 | 62.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 191 | A | 38.1 | Very low | 38 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | 73 | 134.5 | 116.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 192 | G | 35.3 | Very low | 38.4 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 112.2 | 86.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 193 | A | 36.5 | Very low | 38.6 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | 91.1 | 133.2 | 80 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 194 | A | 35.9 | Very low | 39.1 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 81.6 | 99.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 195 | A | 34.2 | Very low | 39.4 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | 57.6 | 120 | 115.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 196 | A | 38.5 | Very low | 40.2 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | 155 | 132.9 | 103.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 197 | S | 44.2 | Very low | 41 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 54.1 | 131.4 | 150.4 | 61.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 198 | G | 35.3 | Very low | 42.1 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 176.7 | 161.6 | 6.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 199 | P | 39.5 | Very low | 43 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -107 | 124.1 | -170 | 34.9 | -23.3 | 0 | 0 | 0 | 112 | ||||
| 200 | E | 35.9 | Very low | 43.4 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -173.3 | 135.4 | 153.7 | -139.9 | -168.1 | 103.4 | 0 | 0 | 114 | ||||
| 201 | R | 42.5 | Very low | 43.7 | Very low | 227 Ų | 227 | 131.5 Ų | 131.5 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | 146.4 | 83.6 | 149 | -81.9 | 173.9 | -168.8 | -93.1 | -0.5 | 108.8 | ||||
| 202 | V | 43.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | 58.2 | 95.3 | 88.4 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 203 | A | 45.5 | Very low | 44 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | -149.6 | 92.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 204 | R | 44.1 | Very low | 44.4 | Very low | 229 Ų | 229 | 138.7 Ų | 138.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 50.3 | 94.9 | 131.7 | -57.2 | 179.4 | -173.7 | 100 | 0.4 | 117.5 | ||||
| 205 | C | 49.7 | Very low | 44.5 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | -143.7 | 130.1 | 139.4 | -139.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 206 | V | 54.4 | Low | 44.8 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 133.2 | -166.4 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | V208 | V206-V208 PolarHBondContact O-N 2.7Š|
| 207 | P | 54.2 | Low | 45.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 124.3 | 170.3 | -9.9 | 25.3 | 0 | 0 | 0 | 110.4 | I209 | P207-I209 PolarHBondContact O-N 2.79Š|
| 208 | V | 62.4 | Low | 45.2 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 116.3 | 166 | 154.6 | 0 | 0 | 0 | 0 | 108.4 | V206 Q210 | V206-V208 PolarHBondContact O-N 2.7Å; V208-Q210 PolarHBondContact O-N 2.95Å |
| 209 | I | 57.2 | Low | 45.8 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -70.2 | 108.7 | 176.8 | -65.1 | 165.4 | 0 | 0 | 0 | 108.2 | P207 R211 | P207-I209 PolarHBondContact O-N 2.79Å; I209-R211 HydrophobicContact CG2-CB 4.1Å; I209-R211 HydrophobicContact CG2-CG 3.74Å | ||
| 210 | Q | 43.6 | Very low | 46.5 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 118.2 | 151.6 | -75.5 | 178.3 | -16.7 | 0 | 0 | 107.8 | V208 | V208-Q210 PolarHBondContact O-N 2.95Š| ||
| 211 | R | 46.4 | Very low | 47.5 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -129.1 | 94.7 | 165.8 | -96.6 | -174 | 173.7 | 116.9 | -1.2 | 109.5 | I209 | I209-R211 HydrophobicContact CG2-CB 4.1Å; I209-R211 HydrophobicContact CG2-CG 3.74Å | ||
| 212 | T | 43 | Very low | 48 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | 22.2 | 120.2 | 121.1 | -49.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 213 | Q | 38.6 | Very low | 48.8 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -64.5 | 158.2 | 164.8 | -53.9 | -150.3 | 30 | 0 | 0 | 111.7 | ||||
| 214 | P | 43.7 | Very low | 49.2 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -151.9 | 149.1 | 93.6 | 35.2 | -16.1 | 0 | 0 | 0 | 116.5 | |||||
| 215 | G | 37.3 | Very low | 49.9 | Very low | 63 Ų | 63 | 141.3 Ų | 141.3 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 79.7 | 103.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 216 | T | 41 | Very low | 50 | Low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | -165.2 | 113.4 | 124.7 | 1.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 217 | E | 45.9 | Very low | 50.6 | Low | 162 Ų | 162 | 136.9 Ų | 136.9 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 62.9 | 129.1 | 151.6 | -33.3 | -51.9 | 85.5 | 0 | 0 | 121.6 | ||||
| 218 | P | 45.6 | Very low | 50.3 | Low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -93.1 | 116.2 | 173.6 | 34.8 | -25.6 | 0 | 0 | 0 | 110.4 | ||||
| 219 | E | 49 | Very low | 49.9 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | trans | -96.6 | 99.5 | 163.8 | -75.9 | -173.1 | 121.4 | 0 | 0 | 109.3 | ||||
| 220 | H | 53.3 | Low | 49.2 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -86.5 | 104.5 | 177.7 | -177.6 | -89.5 | 0 | 0 | 0 | 108.6 | T222 | H220-T222 WeakPolarHBondContact CE1-CG2 3.36Å; H220-T222 PolarHBondContact CE1-OG1 3.29Å; H220-T222 PolarHBondContact ND1-OG1 2.84Å; H220-T222 PolarHBondContact O-N 3.45Å | ||
| 221 | D | 57.1 | Low | 49.5 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -96.4 | 85.6 | 175.3 | -143.4 | 4.1 | 0 | 0 | 0 | 109.4 | ||||
| 222 | T | 52.9 | Low | 49.2 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 50% | 0.497 | 77% | 0.774 | S | S | . | * | trans | -108.2 | 95.5 | 167.7 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | H220 T224 | H220-T222 WeakPolarHBondContact CE1-CG2 3.36Å; H220-T222 PolarHBondContact CE1-OG1 3.29Å; H220-T222 PolarHBondContact ND1-OG1 2.84Å; H220-T222 PolarHBondContact O-N 3.45Å; T222-T224 VanDerWaalsContact C-N 3.27Å; T222-T224 PolarHBondContact O-N 3.35Å; T222-T224 VanDerWaalsContact O-N 3.11Å | ||
| 223 | D | 60.2 | Low | 49.2 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -81.7 | 75.2 | 164.6 | -86.1 | -40.7 | 0 | 0 | 0 | 110 | ||||
| 224 | T | 53.5 | Low | 49.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | -87.9 | 92.2 | 155.1 | 41.4 | 0 | 0 | 0 | 0 | 108.2 | T222 S226 | T222-T224 VanDerWaalsContact C-N 3.27Å; T222-T224 PolarHBondContact O-N 3.35Å; T222-T224 VanDerWaalsContact O-N 3.11Å; T224-S226 VanDerWaalsContact C-N 3.29Å; T224-S226 PolarHBondContact O-N 2.98Å | ||
| 225 | D | 59.1 | Low | 49 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -70.8 | 87.2 | 165.7 | -177.2 | 21.1 | 0 | 0 | 0 | 109.1 | ||||
| 226 | S | 50.9 | Low | 49 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -125.5 | 82.9 | 169.4 | 170.4 | 0 | 0 | 0 | 0 | 108.6 | T224 | T224-S226 VanDerWaalsContact C-N 3.29Å; T224-S226 PolarHBondContact O-N 2.98Å | ||
| 227 | G | 67.3 | Low | 48.8 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -106.1 | 107.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 228 | Y | 48.5 | Very low | 48.7 | Very low | 236 Ų | 236 | 134.4 Ų | 134.4 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | 65.6 | 120.1 | 65.3 | -151.4 | -88.1 | 0 | 0 | 0 | 114.5 | |||||
| 229 | G | 54.4 | Low | 48.4 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 116.8 | 89.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 230 | G | 42.1 | Very low | 48.3 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 92.6 | 128.4 | 42.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 231 | E | 50.1 | Low | 47.5 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | 97.6 | 124.6 | 163.5 | -47.4 | -60.3 | 85.7 | 0 | 0 | 119.7 | ||||
| 232 | A | 39.8 | Very low | 46.6 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -79.6 | 164.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 233 | E | 43.1 | Very low | 46.5 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | 154 | 138.5 | 113 | -86.2 | -137.3 | 96 | 0 | 0 | 113.5 | |||||
| 234 | Q | 37.8 | Very low | 46 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 62.6 | 122.6 | 144.1 | -70.9 | 176.8 | 23.3 | 0 | 0 | 121.2 | ||||
| 235 | G | 40.9 | Very low | 45.5 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 172.8 | 68.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 236 | R | 37.4 | Very low | 44.8 | Very low | 247 Ų | 247 | 134 Ų | 134 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -57.1 | 152.9 | 174.3 | -89.2 | 174.2 | 168.1 | 175.4 | -3.5 | 114.8 | ||||
| 237 | A | 37 | Very low | 44.3 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | 85.1 | 120.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 238 | A | 42.4 | Very low | 43 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | 162.8 | 97.7 | 121.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 239 | V | 40.6 | Very low | 42.7 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | 60.6 | 107.3 | 77.2 | 178.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 240 | K | 45.2 | Very low | 42 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 173.3 | 99 | 139.4 | -102.6 | -179 | 169.1 | -163.7 | 0 | 108.6 | ||||
| 241 | Q | 38.1 | Very low | 42 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | 92.3 | 124.8 | 69.7 | -168 | 170.8 | 10.5 | 0 | 0 | 114 | |||||
| 242 | E | 37.7 | Very low | 41.8 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -73.4 | -172.8 | -169.6 | -61.2 | -160.8 | 99.9 | 0 | 0 | 117.8 | ||||
| 243 | P | 49.4 | Very low | 41.6 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | -140.2 | 171 | 91.8 | 30.1 | -9.1 | 0 | 0 | 0 | 117.4 | |||||
| 244 | P | 50 | Low | 41.5 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -126.1 | -178.4 | -140.4 | 43.6 | -30.5 | 0 | 0 | 0 | 117.3 | ||||
| 245 | G | 43.1 | Very low | 41.4 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 116.3 | 129.1 | 161 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 246 | D | 44.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | cis | -164.9 | 163.6 | 18.8 | -147.8 | -39.8 | 0 | 0 | 0 | 109.8 | ||||
| 247 | S | 42.1 | Very low | 41.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | 86 | 91.4 | 171 | 73.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 248 | S | 38.8 | Very low | 40.9 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -103.2 | -174.5 | 155.2 | -150.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 249 | P | 43.3 | Very low | 40.8 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -137.7 | 166.3 | -7 | 37.3 | -17.4 | 0 | 0 | 0 | 115.6 | ||||
| 250 | A | 38.3 | Very low | 40.6 | Very low | 87 Ų | 87 | 142.3 Ų | 142.3 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 169.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 251 | P | 42.2 | Very low | 40.1 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | -162.6 | 173.1 | 78.8 | 42.7 | -20.2 | 0 | 0 | 0 | 118.1 | |||||
| 252 | K | 45.3 | Very low | 40.2 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | 82.6 | 114.9 | 155.3 | -47.4 | -174.8 | -174.9 | 174.3 | 0 | 119.9 | ||||
| 253 | R | 36.8 | Very low | 40.5 | Very low | 238 Ų | 238 | 136.3 Ų | 136.3 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -55.6 | 172.2 | 152.3 | -58.6 | 178.8 | 176 | 158.9 | -1.7 | 110.2 | ||||
| 254 | P | 41.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -145.6 | -175.6 | 16.4 | 39.4 | -17 | 0 | 0 | 0 | 116.7 | ||||
| 255 | K | 35 | Very low | 39.3 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 85 | 109.3 | 144.3 | -157.2 | 157.1 | -175.9 | 171.2 | 0 | 119.9 | ||||
| 256 | L | 38.3 | Very low | 39.1 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 38.1 | 117.3 | 127.9 | -160.3 | 93.6 | 0 | 0 | 0 | 118 | |||||
| 257 | E | 34.2 | Very low | 39.2 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 171 | 129.7 | 121 | -88.5 | -107 | 99.2 | 0 | 0 | 111.7 | |||||
| 258 | A | 33.4 | Very low | 38.9 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | trans | 63 | 138.5 | 135.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 259 | R | 40 | Very low | 39.2 | Very low | 258 Ų | 258 | 137.2 Ų | 137.2 | 97% | 0.974 | 78% | 0.775 | S | S | * | * | trans | 88.7 | 124.8 | 166.4 | -59.2 | -178.2 | 145.9 | 170.8 | -5.8 | 114.8 | ||||
| 260 | G | 35.3 | Very low | 39.3 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | 151.9 | 146.4 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 261 | A | 34.9 | Very low | 39.4 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 74.3 | 102.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 262 | L | 41.5 | Very low | 39.3 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | -169.6 | 104.8 | 100.7 | -125.4 | 83.8 | 0 | 0 | 0 | 111.8 | |||||
| 263 | L | 42.6 | Very low | 39.1 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 57.3 | 107.5 | 133.1 | -55.2 | 170.1 | 0 | 0 | 0 | 121.1 | ||||
| 264 | G | 35.1 | Very low | 39.2 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -101.5 | -169.5 | 128.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 265 | P | 40.3 | Very low | 39.1 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -124.9 | -178.6 | -5.4 | 39.3 | -21.9 | 0 | 0 | 0 | 112.3 | ||||
| 266 | E | 38.5 | Very low | 39.3 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 168.3 | 145.5 | 135.7 | -93.7 | -70.7 | 98.8 | 0 | 0 | 113.5 | ||||
| 267 | P | 45.3 | Very low | 39.1 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | -108.8 | 112.6 | 176.9 | 35.8 | -20.8 | 0 | 0 | 0 | 112.3 | ||||
| 268 | A | 36.7 | Very low | 39.1 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | -179.2 | 115.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 269 | L | 44.6 | Very low | 39.2 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -136.2 | 95.9 | 153.9 | -68.8 | 177.1 | 0 | 0 | 0 | 105.4 | ||||
| 270 | L | 45.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 117.8 Ų | 117.8 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | 66.5 | 125.5 | 80.2 | -68 | 179.6 | 0 | 0 | 0 | 113.9 | |||||
| 271 | G | 40.7 | Very low | 39.8 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 130 | 70.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 272 | S | 39.3 | Very low | 40 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | 60.9 | 109.7 | 101.3 | -85.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 273 | L | 40.8 | Very low | 39.8 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -165.2 | 98.4 | 131.4 | -99.2 | 169.2 | 0 | 0 | 0 | 109 | ||||
| 274 | V | 40.3 | Very low | 39.7 | Very low | 151 Ų | 151 | 122 Ų | 122 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | trans | -125.5 | 110.5 | 165.8 | -166.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 275 | A | 38 | Very low | 39.7 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -175.3 | 144.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 276 | L | 40.1 | Very low | 39.7 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | cis | 177.7 | 134.7 | -7.3 | 166.4 | 66.6 | 0 | 0 | 0 | 103.2 | ||||
| 277 | G | 34.4 | Very low | 39.8 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 80.9 | 137 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 278 | G | 33.2 | Very low | 39.5 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | cis | 133 | 117.9 | 24 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 279 | G | 35.1 | Very low | 40.1 | Very low | 84 Ų | 84 | 121 Ų | 121 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 160.2 | 91.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 280 | A | 44.8 | Very low | 40.1 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -85.8 | -163.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 281 | P | 44.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | -124.2 | 161.1 | -109.2 | 31.9 | -11.8 | 0 | 0 | 0 | 112.9 | |||||
| 282 | F | 38.9 | Very low | 40.6 | Very low | 203 Ų | 203 | 124.7 Ų | 124.7 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -162.1 | 128.4 | 156 | -144.2 | -112.9 | 0 | 0 | 0 | 113.6 | ||||
| 283 | A | 37.8 | Very low | 40.9 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 60% | 0.595 | 81% | 0.809 | S | S | * | * | trans | 62 | 140.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 284 | Q | 39.2 | Very low | 41.3 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | cis | -169 | 148.4 | 2.5 | -91.9 | -92.1 | -46.8 | 0 | 0 | 104.8 | ||||
| 285 | P | 35.6 | Very low | 41.8 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -96.7 | 143.3 | 179.7 | 35.6 | -28.1 | 0 | 0 | 0 | 111.8 | ||||
| 286 | A | 41.3 | Very low | 42.3 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -150.7 | 127.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 287 | A | 40.4 | Very low | 42.7 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 74.8 | 103.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 288 | A | 38.8 | Very low | 43 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -63.4 | 157.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 289 | P | 48.7 | Very low | 43.7 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -129.5 | 121.6 | 139.8 | 32.1 | -17.9 | 0 | 0 | 0 | 112.4 | ||||
| 290 | F | 43.9 | Very low | 44.1 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | 39.1 | 110.2 | 135.1 | -64.4 | -81.5 | 0 | 0 | 0 | 119.7 | ||||
| 291 | C | 36.9 | Very low | 44 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -66.7 | 129.8 | 162 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 292 | L | 60 | Low | 44 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -138.1 | 131 | 156.9 | -73.6 | 178.9 | 0 | 0 | 0 | 108.7 | ||||
| 293 | P | 46.5 | Very low | 44.2 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 126.3 | 179.3 | 32.7 | -29.4 | 0 | 0 | 0 | 110.3 | Y295 | P293-Y295 PolarHBondContact O-N 3.18Š| ||
| 294 | F | 49.8 | Very low | 44.6 | Very low | 209 Ų | 209 | 139 Ų | 139 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -66.5 | 112.8 | 171.6 | -79.1 | -92 | 0 | 0 | 0 | 110.3 | ||||
| 295 | Y | 50.1 | Low | 44.9 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -93.3 | 147 | 153.5 | -89.9 | -90.5 | 0 | 0 | 0 | 109 | P293 | P293-Y295 PolarHBondContact O-N 3.18Š| ||
| 296 | L | 48.5 | Very low | 45.3 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | 76.5 | 92.7 | 167.6 | -69.2 | 129.6 | 0 | 0 | 0 | 118.1 | ||||
| 297 | L | 48.1 | Very low | 45.7 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | -163.2 | 87.3 | 125.6 | -162.3 | 60.9 | 0 | 0 | 0 | 111.2 | |||||
| 298 | S | 40.9 | Very low | 45.8 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -113.1 | 117.7 | 154.7 | -85.7 | 0 | 0 | 0 | 0 | 107.5 | S300 | S298-S300 PolarHBondContact O-N 3.47Š| ||
| 299 | P | 48.4 | Very low | 46.3 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -83 | 105.5 | -174.8 | 32.7 | -29.6 | 0 | 0 | 0 | 108.6 | ||||
| 300 | S | 43.1 | Very low | 46 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -147.6 | 69 | 170.8 | -161.5 | 0 | 0 | 0 | 0 | 110.3 | S298 | S298-S300 PolarHBondContact O-N 3.47Š| ||
| 301 | A | 43.9 | Very low | 46.1 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -168.3 | 61 | 165 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 302 | A | 44.3 | Very low | 46.6 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -134.1 | 63 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 303 | A | 42.9 | Very low | 45.8 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -107 | 76.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 304 | Y | 45.1 | Very low | 45.6 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -166.6 | 146.4 | 156.3 | -145.2 | -106.1 | 0 | 0 | 0 | 108.1 | ||||
| 305 | V | 46.9 | Very low | 45.3 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 87.3 | 77.6 | -175.5 | -157.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 306 | Q | 42.8 | Very low | 45.4 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -60.4 | 143.8 | 144 | -90.6 | -117.6 | -94.7 | 0 | 0 | 109.3 | ||||
| 307 | P | 49.5 | Very low | 45.3 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -125.5 | 135.7 | 106.7 | -2.7 | 23.4 | 0 | 0 | 0 | 113.7 | |||||
| 308 | W | 41.9 | Very low | 45 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 72% | 0.723 | 80% | 0.804 | S | S | * | * | trans | -46.4 | 123.1 | 167.2 | -173.3 | 90.5 | 0 | 0 | 0 | 113.1 | D310 | W308-D310 HydrophobicContact CZ2-CB 4.41Š| ||
| 309 | L | 51 | Low | 45 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -145 | 103 | 152.3 | -117.6 | 114.7 | 0 | 0 | 0 | 108.9 | ||||
| 310 | D | 41 | Very low | 45.1 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | trans | -62.3 | 130.8 | 166.8 | -178.6 | 22.3 | 0 | 0 | 0 | 109.3 | W308 S312 | W308-D310 HydrophobicContact CZ2-CB 4.41Å; D310-S312 PolarHBondContact OD1-OG 3.07Å; D310-S312 VanDerWaalsContact OD1-OG 3.09Å; D310-S312 PolarHBondContact OD2-OG 3.22Å | ||
| 311 | K | 47.5 | Very low | 44.9 | Very low | 216 Ų | 216 | 146 Ų | 146 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -120.2 | 64.4 | 177.3 | -155.4 | -175.6 | -176.2 | -174.9 | 0 | 108 | ||||
| 312 | S | 46.7 | Very low | 44.7 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -129.5 | 126.4 | 166 | 64.6 | 0 | 0 | 0 | 0 | 108.3 | D310 | D310-S312 PolarHBondContact OD1-OG 3.07Å; D310-S312 VanDerWaalsContact OD1-OG 3.09Å; D310-S312 PolarHBondContact OD2-OG 3.22Å | ||
| 313 | G | 42.6 | Very low | 44.5 | Very low | 74 Ų | 74 | 145.1 Ų | 145.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 101.7 | 66.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 314 | L | 42.3 | Very low | 44.5 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -152.7 | 55.1 | 151.2 | -148.6 | 87.9 | 0 | 0 | 0 | 111.5 | ||||
| 315 | D | 45 | Very low | 44.4 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -131.6 | 79.7 | 165.8 | -137.7 | -57.9 | 0 | 0 | 0 | 106.8 | ||||
| 316 | K | 50.6 | Low | 44.1 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 174.3 | 129.5 | 166.7 | -95.9 | 157.4 | -161 | -161.3 | 0 | 107.5 | ||
| 317 | Y | 46.6 | Very low | 44.1 | Very low | 217 Ų | 217 | 141.5 Ų | 141.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 79.2 | 95.6 | 176.8 | -46.6 | -74.2 | 0 | 0 | 0 | 115.4 | ||||
| 318 | L | 42.3 | Very low | 44 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | -174.9 | 103.8 | 125.6 | -92 | 161.1 | 0 | 0 | 0 | 109.3 | |||||
| 319 | Y | 41.1 | Very low | 44.2 | Very low | 214 Ų | 214 | 142.6 Ų | 142.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -129.8 | 159 | 159.7 | -156.2 | -111.2 | 0 | 0 | 0 | 104 | ||||
| 320 | P | 49.3 | Very low | 43.7 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | cis | -129.7 | 172.1 | 2.4 | 2.5 | 24.9 | 0 | 0 | 0 | 115.3 | ||||
| 321 | A | 38.9 | Very low | 43.9 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | 80.1 | 129.6 | 133 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 322 | A | 40.3 | Very low | 44 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 91.1 | 118.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 323 | A | 39.3 | Very low | 44.2 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 76.7 | 97.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 324 | A | 44.2 | Very low | 44.4 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 63.6 | 150 | 122.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 325 | P | 43.4 | Very low | 44.3 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -115.5 | 143.1 | -136.1 | 37.5 | -26.4 | 0 | 0 | 0 | 114.1 | ||||
| 326 | F | 39.2 | Very low | 44.2 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -153.1 | 131.4 | 156.5 | -72.6 | -75.1 | 0 | 0 | 0 | 110.8 | ||||
| 327 | P | 43.8 | Very low | 43.6 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 132.3 | 179.2 | 33.6 | -29.8 | 0 | 0 | 0 | 110.4 | ||||
| 328 | L | 47.2 | Very low | 43 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -107.9 | 146.7 | 175 | -89.6 | 171.3 | 0 | 0 | 0 | 111.8 | ||||
| 329 | L | 45.3 | Very low | 42.7 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -116.6 | 146.8 | -143.7 | -130.3 | 162.1 | 0 | 0 | 0 | 110.3 | ||||
| 330 | Y | 40.2 | Very low | 42.4 | Very low | 168 Ų | 168 | 115.4 Ų | 115.4 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | trans | 71.3 | 162.7 | 144.8 | -120.2 | -124.1 | 0 | 0 | 0 | 118.3 | ||||
| 331 | P | 46.9 | Very low | 41.7 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | -142.8 | 156.5 | 18.7 | 39.5 | -18.8 | 0 | 0 | 0 | 119.9 | ||||
| 332 | G | 49.6 | Very low | 41.4 | Very low | 52 Ų | 52 | 116.1 Ų | 116.1 | 54% | 0.536 | 78% | 0.783 | S | S | . | * | trans | 169.9 | 99.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 333 | I | 49.7 | Very low | 41.2 | Very low | 158 Ų | 158 | 116.1 Ų | 116.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 72.4 | 147.2 | 149.4 | 20.9 | -179.4 | 0 | 0 | 0 | 119.7 | ||||
| 334 | P | 48.1 | Very low | 41.2 | Very low | 110 Ų | 110 | 115.4 Ų | 115.4 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | -120.1 | 156.6 | -113.4 | 33.5 | -15.1 | 0 | 0 | 0 | 116.5 | |||||
| 335 | A | 38.3 | Very low | 40.9 | Very low | 100 Ų | 100 | 121 Ų | 121 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 19.4 | 117 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 336 | A | 43.5 | Very low | 40.9 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | -167.4 | 125.6 | 117.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 337 | A | 37.3 | Very low | 40.8 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 43.8 | 98.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 338 | A | 35.2 | Very low | 40.6 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | 70.5 | 127.6 | 70.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 339 | A | 35.5 | Very low | 40 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 98.1 | 118.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 340 | A | 36.2 | Very low | 39.7 | Very low | 92 Ų | 92 | 115 Ų | 115 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | 73.1 | 99 | 138.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 341 | A | 33.1 | Very low | 39.6 | Very low | 97 Ų | 97 | 112.8 Ų | 112.8 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | 84.3 | 117.6 | 82.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 342 | A | 32.3 | Very low | 39.2 | Very low | 104 Ų | 104 | 114.3 Ų | 114.3 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 55 | 88.7 | 150 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 343 | A | 36.2 | Very low | 38.3 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -173 | 142.9 | 137.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 344 | A | 40.5 | Very low | 38.5 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | 69.2 | 93 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 345 | F | 37.2 | Very low | 38.6 | Very low | 216 Ų | 216 | 115.4 Ų | 115.4 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -132.3 | 104.4 | 132.6 | -79.6 | -71.3 | 0 | 0 | 0 | 109.1 | ||||
| 346 | P | 44.2 | Very low | 38.8 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -86.6 | 146 | 163.3 | 33.5 | -26.9 | 0 | 0 | 0 | 110.6 | ||||
| 347 | C | 35.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -1.4 | 125.1 | 156.6 | -54.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 348 | L | 39.1 | Very low | 38.9 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -134.6 | 91.6 | 151.8 | -68.8 | 178.4 | 0 | 0 | 0 | 109.2 | ||||
| 349 | S | 36 | Very low | 39.1 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -144.6 | 87.8 | 161 | -70.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 350 | S | 38.7 | Very low | 39.1 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -144.7 | 110.3 | 161.6 | -113.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 351 | V | 37.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | 96.2 | 119.1 | 104.6 | 167.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 352 | L | 38.4 | Very low | 39.6 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | 161.9 | 117.3 | 110.4 | -164.6 | 59.3 | 0 | 0 | 0 | 111 | |||||
| 353 | S | 32.3 | Very low | 39.9 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -145.8 | 126.8 | 146.8 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 354 | P | 53.6 | Low | 40 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -100.2 | 163.8 | -171.8 | 38.3 | -33.6 | 0 | 0 | 0 | 113.2 | ||||
| 355 | P | 49.4 | Very low | 40.2 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -111.2 | 168.5 | 156.4 | 35.7 | -23.1 | 0 | 0 | 0 | 112.4 | ||||
| 356 | P | 42.7 | Very low | 40.5 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 146.8 | -148.6 | 36 | -33 | 0 | 0 | 0 | 114.7 | ||
| 357 | E | 41.3 | Very low | 40.2 | Very low | 199 Ų | 199 | 127.2 Ų | 127.2 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 134.7 | 165.4 | -101 | -159.1 | 106.8 | 0 | 0 | 112.4 | ||
| 358 | K | 41.7 | Very low | 40.5 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 128.3 | 168.6 | -106.8 | 179.3 | 175.6 | 177.5 | 0 | 109.1 | ||
| 359 | A | 39 | Very low | 40.6 | Very low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | 39.4 | 110.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 360 | G | 36.4 | Very low | 40.9 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -162.8 | 87.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 361 | A | 38.3 | Very low | 40.7 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 137.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 362 | T | 40.1 | Very low | 41.1 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -70.5 | 150.5 | 172.5 | 13.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 363 | A | 38.9 | Very low | 41.6 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 70.3 | 134.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 364 | G | 39.1 | Very low | 42.2 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | 114.8 | 75.2 | 18.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 365 | A | 44.7 | Very low | 42.5 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 68 | 165.6 | 152 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 366 | P | 44.3 | Very low | 42.2 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | -128.9 | 170 | -54.4 | 35.5 | -21 | 0 | 0 | 0 | 110.6 | |||||
| 367 | F | 37.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 176.7 | 150.3 | 134.2 | -111 | -91.5 | 0 | 0 | 0 | 111.7 | ||||
| 368 | L | 42.3 | Very low | 43.4 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -70.4 | 149.5 | -162.6 | -61.8 | 159.8 | 0 | 0 | 0 | 115 | ||||
| 369 | A | 41.5 | Very low | 43.4 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 140 | 122.7 | 117.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 370 | H | 41.9 | Very low | 44.1 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | 72.8 | 96.2 | 142.1 | -109.1 | -71.9 | 0 | 0 | 0 | 122.5 | ||||
| 371 | E | 35.1 | Very low | 44.3 | Very low | 159 Ų | 159 | 131 Ų | 131 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | 10.2 | 126.4 | 126 | -158.8 | -156.3 | 116.7 | 0 | 0 | 119.4 | |||||
| 372 | V | 45.7 | Very low | 44.5 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | -177.5 | 138.1 | 118.4 | 151.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 373 | A | 48 | Very low | 45 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 168 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 374 | P | 45.8 | Very low | 45.3 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -103.5 | 176.4 | -169 | 40.3 | -32 | 0 | 0 | 0 | 114 | ||||
| 375 | P | 58.8 | Low | 45.8 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -134.9 | 145.6 | 142.2 | 33.9 | -19 | 0 | 0 | 0 | 113.9 | ||||
| 376 | G | 44.2 | Very low | 45.8 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 377 | P | 62.1 | Low | 46.1 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 153.1 | 179.1 | 36.7 | -28.7 | 0 | 0 | 0 | 114.1 | ||
| 378 | L | 46.9 | Very low | 46.5 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 160.3 | -164.3 | -65.6 | 155.6 | 0 | 0 | 0 | 114.3 | ||
| 379 | R | 41.9 | Very low | 46.6 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100 | 147.2 | 166.7 | -176.4 | -174.8 | -178.1 | 162 | 2.4 | 110.3 | ||
| 380 | P | 52 | Low | 47 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -125 | 127.5 | 149.9 | 26.9 | -10.4 | 0 | 0 | 0 | 110.6 | ||||
| 381 | Q | 42.2 | Very low | 46.9 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | 82.9 | 108.9 | 62.6 | -75 | -98.8 | -10.2 | 0 | 0 | 114.8 | |||||
| 382 | H | 42.7 | Very low | 47.5 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.625 | 79% | 0.79 | S | S | * | * | trans | 64.7 | 124.3 | 144 | -80.9 | -107.4 | 0 | 0 | 0 | 123 | H384 | H382-H384 AromaticContact CE1-CE1 3.94Å; H382-H384 AromaticContact CE1-NE2 3.55Å; H382-H384 AromaticContact ND1-CD2 3.82Å; H382-H384 AromaticContact ND1-CE1 3.76Å; H382-H384 AromaticContact ND1-NE2 3Å; H382-H384 PolarHBondContact ND1-NE2 3.5Å | ||
| 383 | A | 49.5 | Very low | 47.5 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | -169.9 | 113.4 | 113.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 384 | H | 45.6 | Very low | 47.2 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -6.7 | 134 | 147.7 | -56.3 | -70.5 | 0 | 0 | 0 | 118.3 | H382 | H382-H384 AromaticContact CE1-CE1 3.94Å; H382-H384 AromaticContact CE1-NE2 3.55Å; H382-H384 AromaticContact ND1-CD2 3.82Å; H382-H384 AromaticContact ND1-CE1 3.76Å; H382-H384 AromaticContact ND1-NE2 3Å; H382-H384 PolarHBondContact ND1-NE2 3.5Å | ||
| 385 | S | 49.2 | Very low | 47.4 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | -163.6 | 150.5 | 100.4 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 386 | R | 45.2 | Very low | 46.4 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -129.6 | 132.3 | -150.4 | 170.3 | -162.7 | -168.3 | -177.5 | 4.3 | 107.9 | ||||
| 387 | T | 50 | Low | 46.3 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -167.5 | 117.9 | 150.8 | 15.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 388 | H | 45.2 | Very low | 45.5 | Very low | 180 Ų | 180 | 144 Ų | 144 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 75 | 98.3 | 144.7 | -67.6 | -74.7 | 0 | 0 | 0 | 124.5 | ||||
| 389 | L | 45.8 | Very low | 45.2 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -55.9 | -175 | 138.4 | -99.8 | 110.4 | 0 | 0 | 0 | 113 | ||||
| 390 | P | 50.2 | Low | 45.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | cis | -137.3 | 160.3 | 5.6 | 11.8 | 17.8 | 0 | 0 | 0 | 115.6 | ||||
| 391 | R | 38.5 | Very low | 44.8 | Very low | 215 Ų | 215 | 141.6 Ų | 141.6 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | 70.9 | 119.2 | 81.4 | -167.8 | 168.8 | 177 | 139.3 | -4.9 | 118 | V393 | R391-V393 HydrophobicContact CG-CG2 4.04Š| |||
| 392 | A | 47.8 | Very low | 45.1 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -158.1 | 113.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 393 | V | 45.6 | Very low | 45.7 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | 69.1 | 94.2 | 61.7 | -176 | 0 | 0 | 0 | 0 | 111.5 | R391 | R391-V393 HydrophobicContact CG-CG2 4.04Š| |||
| 394 | N | 41.5 | Very low | 45.8 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | 97.4 | 176.1 | 84.7 | -140.1 | 6.2 | 0 | 0 | 0 | 111.9 | |||||
| 395 | P | 50.7 | Low | 46.3 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | -123.2 | -165.4 | -106.3 | 41.6 | -23.7 | 0 | 0 | 0 | 114.5 | |||||
| 396 | E | 38.1 | Very low | 46.6 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 105.2 | 141.5 | 147.2 | -152.4 | 171.4 | 101.1 | 0 | 0 | 119.5 | ||||
| 397 | S | 42.5 | Very low | 46.8 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | 75.1 | 148 | 163.8 | 73.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 398 | S | 43.9 | Very low | 47.2 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | 175.6 | 165.5 | -17.5 | -92.1 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 399 | Q | 41.8 | Very low | 47.3 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 85.4 | 101.5 | 150.4 | -141.3 | 150.3 | 5.2 | 0 | 0 | 116.3 | ||||
| 400 | E | 41.9 | Very low | 47.9 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 80.5 | 136 | 91.6 | -79.8 | -173.3 | 93.7 | 0 | 0 | 114.4 | |||||
| 401 | D | 43.3 | Very low | 47.8 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | 113.2 | 120 | 137.9 | -147.5 | 50.9 | 0 | 0 | 0 | 118.4 | ||||
| 402 | A | 48 | Very low | 48.2 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | trans | 37.8 | 133.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 403 | T | 55.5 | Low | 48.3 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 173.9 | 108.5 | 101.5 | -77.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 404 | Q | 51.2 | Low | 48.4 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -71.4 | 161.6 | 152.4 | -69.5 | -168.8 | -42 | 0 | 0 | 109 | ||||
| 405 | P | 56.1 | Low | 48.9 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -151.7 | 162.3 | 104.7 | 36.2 | -18.1 | 0 | 0 | 0 | 116.8 | |||||
| 406 | A | 55.1 | Low | 48.7 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | 74.4 | 112.1 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 407 | K | 49.6 | Very low | 49.5 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | 86.2 | 127.8 | 100.2 | -84.5 | -177.1 | 168 | -175.2 | 0 | 111.1 | |||||
| 408 | D | 59.3 | Low | 50 | Low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -152 | 163.5 | 37.2 | -122.9 | -71.6 | 0 | 0 | 0 | 110.3 | ||||
| 409 | A | 46.9 | Very low | 50.6 | Low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | trans | -92.1 | -157.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 410 | P | 58.1 | Low | 51.4 | Low | 201 Ų | 201 | 136.5 Ų | 136.5 | 100% | 1.305 | 80% | 0.795 | S | S | * | * | trans | -63.6 | 0 | -142.8 | 35.3 | -40.8 | 0 | 0 | 0 | 118.1 |
Retrieved 410 of 410 residues in 379.5 ms
(Link to these results)