| 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 | 42.2 | Very low | 44.3 | Very low | 240 Ų | 240 | 181.1 Ų | 181.1 | 100% | 1.182 | 90% | 0.898 | S | S | * | * | 0 | 105.1 | 0 | -90.6 | 142.8 | 61.3 | 0 | 0 | 109 | |||||
| 2 | N | 35.7 | Very low | 43.6 | Very low | 165 Ų | 165 | 186.3 Ų | 186.3 | 88% | 0.882 | 90% | 0.9 | S | S | * | * | trans | -166.1 | 115 | 147 | -109.7 | -18.4 | 0 | 0 | 0 | 108.6 | ||||
| 3 | P | 47.3 | Very low | 43.2 | Very low | 118 Ų | 118 | 184.3 Ų | 184.3 | 77% | 0.766 | 90% | 0.895 | S | S | * | * | trans | -103.2 | 79.4 | -167.7 | 37.7 | -29.7 | 0 | 0 | 0 | 111.3 | ||||
| 4 | L | 46.2 | Very low | 42.9 | Very low | 173 Ų | 173 | 174.9 Ų | 174.9 | 91% | 0.906 | 87% | 0.87 | S | S | * | * | trans | -142.4 | 27.9 | 174.6 | -74.3 | 179 | 0 | 0 | 0 | 114.3 | ||||
| 5 | L | 49.5 | Very low | 42.9 | Very low | 177 Ų | 177 | 168.9 Ų | 168.9 | 93% | 0.927 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -128.4 | 37.3 | 179.4 | -100.8 | 164.1 | 0 | 0 | 0 | 113.3 | ||
| 6 | R | 48.1 | Very low | 42.7 | Very low | 237 Ų | 237 | 174.1 Ų | 174.1 | 89% | 0.894 | 87% | 0.865 | S | S | * | * | trans | -151.6 | 82.7 | 179.5 | -139.2 | -178.2 | -166 | -147.1 | 4.6 | 112.1 | ||||
| 7 | R | 46.7 | Very low | 42.8 | Very low | 247 Ų | 247 | 177.8 Ų | 177.8 | 93% | 0.932 | 87% | 0.867 | S | S | * | * | trans | 169.4 | 95.5 | 148.9 | -96.6 | 160 | -170.6 | -127 | 4.1 | 108.8 | ||||
| 8 | L | 43.6 | Very low | 42.7 | Very low | 175 Ų | 175 | 171.1 Ų | 171.1 | 92% | 0.916 | 85% | 0.851 | S | S | * | * | trans | -165.2 | 58.2 | 150.8 | -102 | 163.6 | 0 | 0 | 0 | 108.3 | ||||
| 9 | V | 46.4 | Very low | 42.4 | Very low | 145 Ų | 145 | 172.7 Ų | 172.7 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -128.4 | 68.3 | 159.7 | -175.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 10 | A | 41.3 | Very low | 42.5 | Very low | 91 Ų | 91 | 173.2 Ų | 173.2 | 75% | 0.752 | 85% | 0.852 | S | S | * | * | trans | -98.1 | 95.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | R12 | A10-R12 PolarHBondContact O-N 2.83Š| ||
| 11 | R | 40.3 | Very low | 42.7 | Very low | 224 Ų | 224 | 170.8 Ų | 170.8 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | -34.9 | 104.7 | 164.2 | -96.9 | 170.2 | 162.7 | -176.4 | -4.4 | 110.3 | L13 | R11-L13 VanDerWaalsContact C-N 3.35Å; R11-L13 PolarHBondContact O-N 3.26Å | ||
| 12 | R | 36.1 | Very low | 42.6 | Very low | 244 Ų | 244 | 162.4 Ų | 162.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -75 | 97.9 | 151.5 | -83.4 | -173.1 | -167.5 | -163 | 3.3 | 106.2 | A10 G14 | A10-R12 PolarHBondContact O-N 2.83Å; R12-G14 PolarHBondContact O-N 3.07Å | ||
| 13 | L | 38.4 | Very low | 43 | Very low | 160 Ų | 160 | 160.4 Ų | 160.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -61.7 | 90.5 | 156.1 | -81.1 | 153.5 | 0 | 0 | 0 | 106.3 | R11 A15 | R11-L13 VanDerWaalsContact C-N 3.35Å; R11-L13 PolarHBondContact O-N 3.26Å; L13-A15 PolarHBondContact O-N 3.12Å | ||
| 14 | G | 39.3 | Very low | 42.8 | Very low | 52 Ų | 52 | 160.4 Ų | 160.4 | 54% | 0.536 | 82% | 0.816 | S | S | . | * | trans | -58.7 | 122.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | R12 W16 | R12-G14 PolarHBondContact O-N 3.07Å; G14-W16 VanDerWaalsContact O-CD1 3.28Å; G14-W16 PolarHBondContact O-N 3.47Å; G14-W16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | A | 42.9 | Very low | 42.9 | Very low | 86 Ų | 86 | 156.6 Ų | 156.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -60.7 | 108.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | L13 R17 | L13-A15 PolarHBondContact O-N 3.12Å; A15-R17 PolarHBondContact O-N 3.09Å | ||
| 16 | W | 38.8 | Very low | 43 | Very low | 252 Ų | 252 | 151.6 Ų | 151.6 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 90.3 | 166.3 | -74.8 | 59.2 | 0 | 0 | 0 | 106.8 | G14 G18 | G14-W16 VanDerWaalsContact O-CD1 3.28Å; G14-W16 PolarHBondContact O-N 3.47Å; G14-W16 VanDerWaalsContact O-N 3.07Å; W16-G18 PolarHBondContact O-N 3.43Å | ||
| 17 | R | 44.5 | Very low | 42.8 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -72.7 | 109.3 | 172.1 | -106.3 | -173.8 | -102.3 | -107 | 1.8 | 108.4 | A15 | A15-R17 PolarHBondContact O-N 3.09Š| ||
| 18 | G | 40.7 | Very low | 42.9 | Very low | 57 Ų | 57 | 141.5 Ų | 141.5 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | trans | 61.2 | 76.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | W16 H20 | W16-G18 PolarHBondContact O-N 3.43Å; G18-H20 VanDerWaalsContact C-N 3.29Å; G18-H20 PolarHBondContact O-N 3.21Å | ||
| 19 | F | 37.4 | Very low | 43.2 | Very low | 202 Ų | 202 | 138.9 Ų | 138.9 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | trans | -69.2 | 101 | 136.9 | -101.2 | -92.2 | 0 | 0 | 0 | 106.1 | V21 | F19-V21 PolarHBondContact O-N 3.43Š| ||
| 20 | H | 44.2 | Very low | 43.5 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -66 | 89.1 | 160.2 | -78.3 | -88.4 | 0 | 0 | 0 | 106.4 | G18 G22 | G18-H20 VanDerWaalsContact C-N 3.29Å; G18-H20 PolarHBondContact O-N 3.21Å; H20-G22 VanDerWaalsContact C-N 3.3Å; H20-G22 PolarHBondContact O-N 3.12Å | ||
| 21 | V | 46.5 | Very low | 44 | Very low | 124 Ų | 124 | 144 Ų | 144 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | -57.1 | 105.9 | 156.3 | 173.9 | 0 | 0 | 0 | 0 | 104.1 | F19 T23 | F19-V21 PolarHBondContact O-N 3.43Å; V21-T23 PolarHBondContact O-N 3.46Å | ||
| 22 | G | 41.8 | Very low | 44.5 | Very low | 63 Ų | 63 | 142.6 Ų | 142.6 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -53.1 | 110.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | H20 P24 | H20-G22 VanDerWaalsContact C-N 3.3Å; H20-G22 PolarHBondContact O-N 3.12Å; G22-P24 WeakPolarHBondContact O-CD 3.5Å | ||
| 23 | T | 42.2 | Very low | 45.4 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -51.3 | 124 | 165.4 | 6.6 | 0 | 0 | 0 | 0 | 105.8 | V21 S25 | V21-T23 PolarHBondContact O-N 3.46Å; T23-S25 PolarHBondContact O-N 3.26Å | ||
| 24 | P | 43.6 | Very low | 46 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -67.8 | 91.9 | 167.1 | 27.5 | -28 | 0 | 0 | 0 | 105 | G22 A26 | G22-P24 WeakPolarHBondContact O-CD 3.5Å; P24-A26 PolarHBondContact O-N 3.37Å | ||
| 25 | S | 48.9 | Very low | 46.7 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | -72.2 | 74.1 | 165.8 | -163 | 0 | 0 | 0 | 0 | 105.9 | T23 T27 | T23-S25 PolarHBondContact O-N 3.26Å; S25-T27 PolarHBondContact O-N 3.04Å | ||
| 26 | A | 50.7 | Low | 47.1 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | trans | -76 | 57.8 | 164 | 0 | 0 | 0 | 0 | 0 | 107.6 | P24 F28 | P24-A26 PolarHBondContact O-N 3.37Å; A26-F28 HydrophobicContact CB-CD2 4.28Å; A26-F28 PolarHBondContact O-N 3.38Å | ||
| 27 | T | 44.9 | Very low | 47.8 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | -79.2 | 65 | 158.7 | 53.5 | 0 | 0 | 0 | 0 | 106.7 | S25 D29 | S25-T27 PolarHBondContact O-N 3.04Å; T27-D29 PolarHBondContact O-N 2.93Å | ||
| 28 | F | 48.4 | Very low | 48.3 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | trans | -69.3 | 87.8 | 152.2 | -71 | -74.1 | 0 | 0 | 0 | 104.4 | A26 L30 | A26-F28 HydrophobicContact CB-CD2 4.28Å; A26-F28 PolarHBondContact O-N 3.38Å; F28-L30 PolarHBondContact O-N 3.01Å | ||
| 29 | D | 49.1 | Very low | 48.9 | Very low | 121 Ų | 121 | 130 Ų | 130 | 65% | 0.647 | 70% | 0.698 | S | S | * | * | trans | -69.9 | 76 | 174 | -149 | 8.3 | 0 | 0 | 0 | 105.7 | T27 R31 | T27-D29 PolarHBondContact O-N 2.93Å; D29-R31 PolarHBondContact O-N 3.35Å | ||
| 30 | L | 53.3 | Low | 49.7 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | trans | -65.9 | 77.8 | 170 | -85.7 | 157.7 | 0 | 0 | 0 | 105.3 | F28 K32 | F28-L30 PolarHBondContact O-N 3.01Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.14Å | ||
| 31 | R | 52.6 | Low | 50.6 | Low | 188 Ų | 188 | 125.4 Ų | 125.4 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | trans | -59.1 | 100.5 | 174.1 | -161 | -175.1 | -97.4 | -173.5 | -6 | 104.8 | D29 V33 | D29-R31 PolarHBondContact O-N 3.35Å; R31-V33 VanDerWaalsContact C-N 3.35Å; R31-V33 PolarHBondContact O-N 3.5Å | ||
| 32 | K | 50.3 | Low | 51.4 | Low | 196 Ų | 196 | 127.8 Ų | 127.8 | 85% | 0.852 | 67% | 0.673 | S | S | * | * | trans | -57.5 | 102.9 | -178.4 | -167.9 | -179.3 | -175 | -173.5 | 0 | 105.9 | L30 E34 | L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.14Å; K32-E34 PolarHBondContact O-N 3.42Å | ||
| 33 | V | 55.1 | Low | 52.6 | Low | 51 Ų | 51 | 127.1 Ų | 127.1 | 31% | 0.309 | 65% | 0.654 | S | S | . | * | trans | -61.2 | 109.8 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 105.2 | R31 L35 I94 | R31-V33 VanDerWaalsContact C-N 3.35Å; R31-V33 PolarHBondContact O-N 3.5Å; V33-L35 PolarHBondContact O-N 3.29Å; V33-I94 HydrophobicContact CG1-CD1 4.35Å; V33-I94 HydrophobicContact CG2-CG2 3.93Å | ||
| 34 | E | 51.1 | Low | 54.1 | Low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | trans | -61.6 | 112.2 | 174.9 | -78.2 | -169.4 | 153.2 | 0 | 0 | 107.3 | K32 T36 | K32-E34 PolarHBondContact O-N 3.42Å; E34-T36 PolarHBondContact O-N 2.88Å | ||
| 35 | L | 54.9 | Low | 55.8 | Low | 137 Ų | 137 | 124.1 Ų | 124.1 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | trans | -60.8 | 105.4 | 178.5 | -59.9 | 166.5 | 0 | 0 | 0 | 106.7 | V33 H91 | V33-L35 PolarHBondContact O-N 3.29Å; L35-H91 VanDerWaalsContact CD2-CD2 3.48Å; L35-H91 WeakPolarHBondContact CD2-CD2 3.37Å; L35-H91 WeakPolarHBondContact CD2-NE2 3.31Å | ||
| 36 | T | 49.7 | Very low | 57.5 | Low | 93 Ų | 93 | 124.6 Ų | 124.6 | 57% | 0.571 | 63% | 0.625 | S | S | * | * | trans | -54.8 | 138.6 | 167.5 | 34.4 | 0 | 0 | 0 | 0 | 108.3 | E34 L38 | E34-T36 PolarHBondContact O-N 2.88Å; T36-L38 PolarHBondContact O-N 3.36Å; T36-L38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | P | 53.7 | Low | 59.3 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | trans | -58 | 126 | 176.8 | -18.2 | 29.6 | 0 | 0 | 0 | 108.4 | E39 | P37-E39 VanDerWaalsContact C-N 3.35Å; P37-E39 PolarHBondContact O-N 3.11Å | ||
| 38 | L | 55.4 | Low | 61.3 | Low | 51 Ų | 51 | 124.2 Ų | 124.2 | 27% | 0.267 | 61% | 0.608 | S | S | . | * | trans | -61.5 | 98.4 | 175.7 | -76.2 | 113.8 | 0 | 0 | 0 | 109 | T36 Q40 Y83 T88 | T36-L38 PolarHBondContact O-N 3.36Å; T36-L38 VanDerWaalsContact O-N 3.15Å; L38-Q40 PolarHBondContact O-N 3.27Å; L38-Y83 HydrophobicContact CD2-CD1 3.62Å; L38-Y83 HydrophobicContact CD2-CE1 4.16Å; L38-Y83 HydrophobicContact CD2-CG 4.25Å; L38-T88 HydrophobicContact CD2-CG2 3.77Å | ||
| 39 | E | 53.3 | Low | 63.2 | Low | 195 Ų | 195 | 118.6 Ų | 118.6 | 91% | 0.911 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 6 | 172.6 | -147.9 | 173 | -173.3 | 0 | 0 | 112.3 | P37 | P37-E39 VanDerWaalsContact C-N 3.35Å; P37-E39 PolarHBondContact O-N 3.11Å |
| 40 | Q | 54.9 | Low | 65.1 | Low | 126 Ų | 126 | 115.5 Ų | 115.5 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 18 | -171.2 | -70.9 | 175.9 | -37.2 | 0 | 0 | 114.3 | L38 K42 | L38-Q40 PolarHBondContact O-N 3.27Å; Q40-K42 PolarHBondContact O-N 3.16Å |
| 41 | R | 61.9 | Low | 66.9 | Low | 159 Ų | 159 | 108.9 Ų | 108.9 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | trans | -71.2 | 53.1 | 168.1 | -65.5 | -167.8 | 179.4 | 103.5 | -3.8 | 111.8 | D80 | R41-D80 IonicContact CZ-OD1 3.93Å; R41-D80 IonicContact NE-OD1 2.68Å; R41-D80 PolarHBondContact NE-OD1 2.99Å; R41-D80 IonicContact NH2-OD1 3.48Å; R41-D80 PolarHBondContact NH2-OD1 2.99Å | ||
| 42 | K | 63.1 | Low | 68.6 | Low | 174 Ų | 174 | 102.8 Ų | 102.8 | 76% | 0.757 | 52% | 0.521 | S | S | * | . | trans | -93.3 | 114.5 | 178.9 | -156.5 | 172.2 | -176.1 | 179.4 | 0 | 108.1 | Q40 T44 | Q40-K42 PolarHBondContact O-N 3.16Å; K42-T44 PolarHBondContact O-N 3.44Å | ||
| 43 | L | 67.9 | Low | 70.5 | Confident | 49 Ų | 49 | 99.8 Ų | 99.8 | 26% | 0.257 | 51% | 0.51 | S | S | . | . | trans | -56.3 | 127.7 | 172.9 | -162.1 | 76.4 | 0 | 0 | 0 | 108.3 | F45 V72 T75 | L43-F45 HydrophobicContact CD1-CD1 4.37Å; L43-F45 HydrophobicContact CD1-CE1 3.79Å; L43-F45 HydrophobicContact CD1-CZ 4.13Å; L43-F45 HydrophobicContact CD2-CD1 4.33Å; L43-F45 HydrophobicContact CD2-CD2 4.17Å; L43-F45 HydrophobicContact CD2-CE1 4.05Å; L43-F45 HydrophobicContact CD2-CE2 3.87Å; L43-F45 HydrophobicContact CD2-CG 4.4Å; L43-F45 HydrophobicContact CD2-CZ 3.81Å; L43-F45 WeakPolarHBondContact CD2-O 3.31Å; L43-F45 HydrophobicContact CG-CD1 4.01Å; L43-F45 HydrophobicContact CG-CE1 3.86Å; L43-F45 HydrophobicContact CG-CG 4.43Å; L43-F45 HydrophobicContact CG-CZ 4.14Å; L43-F45 PolarHBondContact O-N 3.47Å; L43-V72 HydrophobicContact CD2-CG1 4.39Å; L43-V72 HydrophobicContact CD2-CG2 3.91Å; L43-T75 HydrophobicContact CD1-CG2 3.87Å | ||
| 44 | T | 72.7 | Confident | 72.1 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 76% | 0.755 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -78.1 | -9 | -172.6 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | K42 M79 | K42-T44 PolarHBondContact O-N 3.44Å; T44-M79 HydrophobicContact CG2-CE 4.09Å |
| 45 | F | 79 | Confident | 74 | Confident | 57 Ų | 57 | 93.5 Ų | 93.5 | 25% | 0.25 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -125.1 | 149.7 | 179.7 | 66.8 | -91.8 | 0 | 0 | 0 | 110.8 | L43 M50 L71 V72 T75 | L43-F45 HydrophobicContact CD1-CD1 4.37Å; L43-F45 HydrophobicContact CD1-CE1 3.79Å; L43-F45 HydrophobicContact CD1-CZ 4.13Å; L43-F45 HydrophobicContact CD2-CD1 4.33Å; L43-F45 HydrophobicContact CD2-CD2 4.17Å; L43-F45 HydrophobicContact CD2-CE1 4.05Å; L43-F45 HydrophobicContact CD2-CE2 3.87Å; L43-F45 HydrophobicContact CD2-CG 4.4Å; L43-F45 HydrophobicContact CD2-CZ 3.81Å; L43-F45 WeakPolarHBondContact CD2-O 3.31Å; L43-F45 HydrophobicContact CG-CD1 4.01Å; L43-F45 HydrophobicContact CG-CE1 3.86Å; L43-F45 HydrophobicContact CG-CG 4.43Å; L43-F45 HydrophobicContact CG-CZ 4.14Å; L43-F45 PolarHBondContact O-N 3.47Å; F45-M50 HydrophobicContact CD2-SD 4.04Å; F45-M50 HydrophobicContact CE2-SD 4.12Å; F45-L71 HydrophobicContact CZ-CB 4.36Å; F45-V72 HydrophobicContact CE2-CG2 3.85Å; F45-V72 HydrophobicContact CZ-CG2 3.78Å; F45-T75 HydrophobicContact CE1-CG2 4.15Å |
| 46 | D | 86 | Confident | 75.7 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | trans | -85.5 | 112.2 | 174.7 | 179.6 | -3.8 | 0 | 0 | 0 | 109.4 | H48 A49 M50 | D46-H48 PolarHBondContact O-N 2.93Å; D46-H48 PolarHBondContact OD1-N 3.35Å; D46-A49 HydrophobicContact CB-CB 3.93Å; D46-A49 PolarHBondContact O-N 2.92Å; D46-A49 PolarHBondContact OD1-N 3.41Å; D46-M50 PolarHBondContact O-N 2.88Å; D46-M50 VanDerWaalsContact O-N 3.14Å | ||
| 47 | S | 87.2 | Confident | 77.6 | Confident | 44 Ų | 44 | 94.8 Ų | 94.8 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 178.7 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | V51 V72 | S47-V51 WeakPolarHBondContact O-CG2 3.44Å; S47-V51 PolarHBondContact O-N 3.29Å; S47-V51 VanDerWaalsContact O-N 3.16Å; S47-V72 WeakPolarHBondContact OG-CG2 3.46Å |
| 48 | H | 87.6 | Confident | 79.2 | Confident | 127 Ų | 127 | 92.7 Ų | 92.7 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75.7 | -43.2 | -176.6 | -170.7 | 23.7 | 0 | 0 | 0 | 111.9 | D46 M50 V51 I52 | D46-H48 PolarHBondContact O-N 2.93Å; D46-H48 PolarHBondContact OD1-N 3.35Å; H48-M50 PolarHBondContact O-N 3.13Å; H48-V51 PolarHBondContact O-N 3.36Å; H48-I52 WeakPolarHBondContact O-CG1 3.38Å; H48-I52 PolarHBondContact O-N 2.85Å; H48-I52 VanDerWaalsContact O-N 3.11Å |
| 49 | A | 88.8 | Confident | 80.9 | Confident | 47 Ų | 47 | 94.6 Ų | 94.6 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | D46 I52 E53 | D46-A49 HydrophobicContact CB-CB 3.93Å; D46-A49 PolarHBondContact O-N 2.92Å; D46-A49 PolarHBondContact OD1-N 3.41Å; A49-I52 PolarHBondContact O-N 3.42Å; A49-E53 PolarHBondContact O-N 2.99Å |
| 50 | M | 87.8 | Confident | 82.6 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 28% | 0.276 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 179.4 | -167 | 171.3 | 177.3 | 0 | 0 | 112.9 | F45 D46 H48 E53 L54 V68 L71 | F45-M50 HydrophobicContact CD2-SD 4.04Å; F45-M50 HydrophobicContact CE2-SD 4.12Å; D46-M50 PolarHBondContact O-N 2.88Å; D46-M50 VanDerWaalsContact O-N 3.14Å; H48-M50 PolarHBondContact O-N 3.13Å; M50-E53 PolarHBondContact O-N 3.49Å; M50-L54 HydrophobicContact CG-CD1 4.42Å; M50-L54 WeakPolarHBondContact O-CG 3.26Å; M50-L54 PolarHBondContact O-N 3.33Å; M50-V68 HydrophobicContact CB-CG2 4.07Å; M50-V68 HydrophobicContact CG-CG2 3.8Å; M50-V68 HydrophobicContact SD-CG2 4.11Å; M50-L71 HydrophobicContact CE-CD1 3.31Å; M50-L71 HydrophobicContact SD-CD1 4.21Å |
| 51 | V | 91 | Very high | 84.2 | Confident | 14 Ų | 14 | 90.3 Ų | 90.3 | 9% | 0.085 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 172.8 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | S47 H48 E53 L54 E55 A64 E65 V68 | S47-V51 WeakPolarHBondContact O-CG2 3.44Å; S47-V51 PolarHBondContact O-N 3.29Å; S47-V51 VanDerWaalsContact O-N 3.16Å; H48-V51 PolarHBondContact O-N 3.36Å; V51-E53 VanDerWaalsContact C-N 3.29Å; V51-E53 PolarHBondContact O-N 3.23Å; V51-L54 PolarHBondContact O-N 3.49Å; V51-E55 HydrophobicContact CG1-CG 4.43Å; V51-E55 WeakPolarHBondContact O-CG 3.42Å; V51-E55 PolarHBondContact O-N 2.69Å; V51-A64 HydrophobicContact CG1-CB 4.17Å; V51-E65 HydrophobicContact CG1-CG 4.07Å; V51-E65 HydrophobicContact CG2-CG 4.25Å; V51-V68 HydrophobicContact CG2-CB 3.92Å; V51-V68 HydrophobicContact CG2-CG1 4.16Å; V51-V68 HydrophobicContact CG2-CG2 3.75Å |
| 52 | I | 89.2 | Confident | 85.5 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 31% | 0.313 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 179.1 | -66.1 | 168.2 | 0 | 0 | 0 | 111.3 | H48 A49 K56 | H48-I52 WeakPolarHBondContact O-CG1 3.38Å; H48-I52 PolarHBondContact O-N 2.85Å; H48-I52 VanDerWaalsContact O-N 3.11Å; A49-I52 PolarHBondContact O-N 3.42Å; I52-K56 HydrophobicContact CG2-CD 4.35Å; I52-K56 VanDerWaalsContact O-CG 3.31Å; I52-K56 WeakPolarHBondContact O-CG 3.32Å; I52-K56 PolarHBondContact O-N 3.49Å; I52-K56 VanDerWaalsContact O-N 3.09Å |
| 53 | E | 89.9 | Confident | 86.8 | Confident | 132 Ų | 132 | 86 Ų | 86 | 62% | 0.617 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.7 | -38.3 | 178.3 | -171 | 167 | -165.5 | 0 | 0 | 112.5 | A49 M50 V51 K56 S57 | A49-E53 PolarHBondContact O-N 2.99Å; M50-E53 PolarHBondContact O-N 3.49Å; V51-E53 VanDerWaalsContact C-N 3.29Å; V51-E53 PolarHBondContact O-N 3.23Å; E53-K56 PolarHBondContact O-N 3.48Å; E53-S57 PolarHBondContact O-N 3.01Å; E53-S57 VanDerWaalsContact O-N 3.12Å; E53-S57 PolarHBondContact O-OG 3.11Å |
| 54 | L | 89.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 83.6 Ų | 83.6 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 174.7 | -71.8 | 170.2 | 0 | 0 | 0 | 111.9 | M50 V51 K56 S57 G58 F59 A64 I67 V68 | M50-L54 HydrophobicContact CG-CD1 4.42Å; M50-L54 WeakPolarHBondContact O-CG 3.26Å; M50-L54 PolarHBondContact O-N 3.33Å; V51-L54 PolarHBondContact O-N 3.49Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-K56 PolarHBondContact O-N 2.99Å; L54-S57 WeakPolarHBondContact O-CA 3.47Å; L54-S57 WeakPolarHBondContact O-CB 3.45Å; L54-S57 PolarHBondContact O-N 3.45Å; L54-G58 PolarHBondContact O-N 2.84Å; L54-F59 HydrophobicContact CB-CD2 4.44Å; L54-F59 HydrophobicContact CD2-CD2 4.21Å; L54-F59 HydrophobicContact CD2-CE2 4.3Å; L54-F59 WeakPolarHBondContact O-CB 3.38Å; L54-F59 WeakPolarHBondContact O-CD2 3.34Å; L54-F59 PolarHBondContact O-N 2.87Å; L54-A64 HydrophobicContact CB-CB 3.67Å; L54-A64 HydrophobicContact CD1-CB 4.25Å; L54-I67 HydrophobicContact CD1-CG2 4.32Å; L54-V68 HydrophobicContact CD1-CG2 3.68Å |
| 55 | E | 91.1 | Very high | 88.7 | Confident | 70 Ų | 70 | 82.1 Ų | 82.1 | 33% | 0.327 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 173.3 | -74.3 | 179.7 | 163.3 | 0 | 0 | 111.6 | V51 S57 G58 K61 A64 | V51-E55 HydrophobicContact CG1-CG 4.43Å; V51-E55 WeakPolarHBondContact O-CG 3.42Å; V51-E55 PolarHBondContact O-N 2.69Å; E55-S57 PolarHBondContact O-N 3.35Å; E55-G58 PolarHBondContact O-N 2.69Å; E55-G58 VanDerWaalsContact O-N 3.12Å; E55-K61 HydrophobicContact CG-CB 4.5Å; E55-K61 WeakPolarHBondContact OE1-CA 3.44Å; E55-K61 WeakPolarHBondContact OE1-CB 3.03Å; E55-K61 VanDerWaalsContact OE1-CD 3.26Å; E55-K61 WeakPolarHBondContact OE1-CD 3.3Å; E55-K61 WeakPolarHBondContact OE1-CG 3.14Å; E55-A64 HydrophobicContact CG-CB 4.32Å |
| 56 | K | 90.7 | Very high | 89.3 | Confident | 173 Ų | 173 | 85.5 Ų | 85.5 | 75% | 0.752 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -26 | 174.8 | -74.7 | 173.5 | -176.9 | 176 | 0 | 113.2 | I52 E53 L54 G58 | I52-K56 HydrophobicContact CG2-CD 4.35Å; I52-K56 VanDerWaalsContact O-CG 3.31Å; I52-K56 WeakPolarHBondContact O-CG 3.32Å; I52-K56 PolarHBondContact O-N 3.49Å; I52-K56 VanDerWaalsContact O-N 3.09Å; E53-K56 PolarHBondContact O-N 3.48Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-K56 PolarHBondContact O-N 2.99Å; K56-G58 PolarHBondContact O-N 3.5Å |
| 57 | S | 88.9 | Confident | 89.5 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 4 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 113.2 | E53 L54 E55 | E53-S57 PolarHBondContact O-N 3.01Å; E53-S57 VanDerWaalsContact O-N 3.12Å; E53-S57 PolarHBondContact O-OG 3.11Å; L54-S57 WeakPolarHBondContact O-CA 3.47Å; L54-S57 WeakPolarHBondContact O-CB 3.45Å; L54-S57 PolarHBondContact O-N 3.45Å; E55-S57 PolarHBondContact O-N 3.35Å |
| 58 | G | 88.3 | Confident | 89.7 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 74% | 0.742 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | 10.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L54 E55 K56 | L54-G58 PolarHBondContact O-N 2.84Å; E55-G58 PolarHBondContact O-N 2.69Å; E55-G58 VanDerWaalsContact O-N 3.12Å; K56-G58 PolarHBondContact O-N 3.5Å |
| 59 | F | 89.7 | Confident | 89.8 | Confident | 92 Ų | 92 | 79.2 Ų | 79.2 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | trans | -81.6 | 144.3 | 172.6 | -70.6 | -92 | 0 | 0 | 0 | 111.4 | L54 A64 I67 | L54-F59 HydrophobicContact CB-CD2 4.44Å; L54-F59 HydrophobicContact CD2-CD2 4.21Å; L54-F59 HydrophobicContact CD2-CE2 4.3Å; L54-F59 WeakPolarHBondContact O-CB 3.38Å; L54-F59 WeakPolarHBondContact O-CD2 3.34Å; L54-F59 PolarHBondContact O-N 2.87Å; F59-A64 HydrophobicContact CB-CB 4.43Å; F59-I67 HydrophobicContact CD1-CD1 4.26Å; F59-I67 HydrophobicContact CE1-CD1 4.21Å | ||
| 60 | E | 90.1 | Very high | 89.9 | Confident | 113 Ų | 113 | 79.7 Ų | 79.7 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | trans | -66.7 | 143.2 | 169.9 | -173.8 | 175.3 | -176.4 | 0 | 0 | 110 | Q62 Q63 A64 | E60-Q62 PolarHBondContact O-N 2.84Å; E60-Q62 VanDerWaalsContact O-N 3.13Å; E60-Q63 HydrophobicContact CB-CB 4.47Å; E60-Q63 HydrophobicContact CB-CG 4.13Å; E60-Q63 WeakPolarHBondContact O-CA 3.5Å; E60-Q63 WeakPolarHBondContact O-CB 3.36Å; E60-Q63 PolarHBondContact O-N 3.4Å; E60-A64 PolarHBondContact O-N 2.97Å | ||
| 61 | K | 88.9 | Confident | 90 | Very high | 118 Ų | 118 | 80 Ų | 80 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -47.4 | -45.4 | -179.8 | 177.7 | 162.6 | -174.3 | 177.5 | 0 | 113.3 | E55 Q63 A64 E65 | E55-K61 HydrophobicContact CG-CB 4.5Å; E55-K61 WeakPolarHBondContact OE1-CA 3.44Å; E55-K61 WeakPolarHBondContact OE1-CB 3.03Å; E55-K61 VanDerWaalsContact OE1-CD 3.26Å; E55-K61 WeakPolarHBondContact OE1-CD 3.3Å; E55-K61 WeakPolarHBondContact OE1-CG 3.14Å; K61-Q63 VanDerWaalsContact C-N 3.32Å; K61-Q63 PolarHBondContact O-N 2.85Å; K61-A64 PolarHBondContact O-N 3.37Å; K61-E65 WeakPolarHBondContact CE-OE1 2.97Å; K61-E65 HydrophobicContact CG-CG 4.47Å; K61-E65 WeakPolarHBondContact O-CB 3.42Å; K61-E65 WeakPolarHBondContact O-CG 3.47Å; K61-E65 PolarHBondContact O-N 3.32Å |
| 62 | Q | 89.1 | Confident | 89.9 | Confident | 140 Ų | 140 | 81.1 Ų | 81.1 | 65% | 0.654 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.2 | -36.6 | 179.3 | -63.3 | -173.8 | -1.1 | 0 | 0 | 112.5 | E60 L66 | E60-Q62 PolarHBondContact O-N 2.84Å; E60-Q62 VanDerWaalsContact O-N 3.13Å; Q62-L66 WeakPolarHBondContact O-CB 3.49Å; Q62-L66 PolarHBondContact O-N 3.12Å; Q62-L66 VanDerWaalsContact O-N 3.11Å |
| 63 | Q | 89.6 | Confident | 89.9 | Confident | 101 Ų | 101 | 82.6 Ų | 82.6 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.5 | -42.1 | 177.7 | -63.2 | 175.9 | -29.2 | 0 | 0 | 111 | E60 K61 L66 I67 | E60-Q63 HydrophobicContact CB-CB 4.47Å; E60-Q63 HydrophobicContact CB-CG 4.13Å; E60-Q63 WeakPolarHBondContact O-CA 3.5Å; E60-Q63 WeakPolarHBondContact O-CB 3.36Å; E60-Q63 PolarHBondContact O-N 3.4Å; K61-Q63 VanDerWaalsContact C-N 3.32Å; K61-Q63 PolarHBondContact O-N 2.85Å; Q63-L66 PolarHBondContact O-N 3.43Å; Q63-I67 WeakPolarHBondContact O-CD1 3.2Å; Q63-I67 VanDerWaalsContact O-CG1 3.25Å; Q63-I67 WeakPolarHBondContact O-CG1 3.39Å; Q63-I67 PolarHBondContact O-N 2.67Å |
| 64 | A | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V51 L54 E55 F59 E60 K61 L66 I67 V68 | V51-A64 HydrophobicContact CG1-CB 4.17Å; L54-A64 HydrophobicContact CB-CB 3.67Å; L54-A64 HydrophobicContact CD1-CB 4.25Å; E55-A64 HydrophobicContact CG-CB 4.32Å; F59-A64 HydrophobicContact CB-CB 4.43Å; E60-A64 PolarHBondContact O-N 2.97Å; K61-A64 PolarHBondContact O-N 3.37Å; A64-L66 PolarHBondContact O-N 2.98Å; A64-I67 PolarHBondContact O-N 3.5Å; A64-V68 WeakPolarHBondContact O-CB 3.37Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.48Å; A64-V68 PolarHBondContact O-N 3.43Å |
| 65 | E | 90.3 | Very high | 89.8 | Confident | 92 Ų | 92 | 81.4 Ų | 81.4 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.9 | -74.5 | 176.2 | -179.6 | 0 | 0 | 112.3 | V51 K61 V68 S69 | V51-E65 HydrophobicContact CG1-CG 4.07Å; V51-E65 HydrophobicContact CG2-CG 4.25Å; K61-E65 WeakPolarHBondContact CE-OE1 2.97Å; K61-E65 HydrophobicContact CG-CG 4.47Å; K61-E65 WeakPolarHBondContact O-CB 3.42Å; K61-E65 WeakPolarHBondContact O-CG 3.47Å; K61-E65 PolarHBondContact O-N 3.32Å; E65-V68 PolarHBondContact O-N 3.25Å; E65-S69 WeakPolarHBondContact O-CB 3.36Å; E65-S69 PolarHBondContact O-N 3.03Å |
| 66 | L | 92.7 | Very high | 89.6 | Confident | 128 Ų | 128 | 81 Ų | 81 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 179.4 | -168.9 | 122.6 | 0 | 0 | 0 | 112.2 | Q62 Q63 A64 S69 A70 | Q62-L66 WeakPolarHBondContact O-CB 3.49Å; Q62-L66 PolarHBondContact O-N 3.12Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; Q63-L66 PolarHBondContact O-N 3.43Å; A64-L66 PolarHBondContact O-N 2.98Å; L66-S69 PolarHBondContact O-N 3.45Å; L66-A70 WeakPolarHBondContact O-CB 3.25Å; L66-A70 PolarHBondContact O-N 2.77Å |
| 67 | I | 89.7 | Confident | 89.4 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 32% | 0.323 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.2 | -68.5 | 166 | 0 | 0 | 0 | 110.4 | L54 F59 Q63 A64 S69 A70 L71 | L54-I67 HydrophobicContact CD1-CG2 4.32Å; F59-I67 HydrophobicContact CD1-CD1 4.26Å; F59-I67 HydrophobicContact CE1-CD1 4.21Å; Q63-I67 WeakPolarHBondContact O-CD1 3.2Å; Q63-I67 VanDerWaalsContact O-CG1 3.25Å; Q63-I67 WeakPolarHBondContact O-CG1 3.39Å; Q63-I67 PolarHBondContact O-N 2.67Å; A64-I67 PolarHBondContact O-N 3.5Å; I67-S69 VanDerWaalsContact C-N 3.35Å; I67-S69 PolarHBondContact O-N 3.05Å; I67-A70 PolarHBondContact O-N 2.7Å; I67-L71 HydrophobicContact CG2-CD1 4.09Å; I67-L71 WeakPolarHBondContact O-CG 3.21Å; I67-L71 PolarHBondContact O-N 3.46Å |
| 68 | V | 91.2 | Very high | 89.2 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.03 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | M50 V51 L54 A64 E65 A70 L71 V72 | M50-V68 HydrophobicContact CB-CG2 4.07Å; M50-V68 HydrophobicContact CG-CG2 3.8Å; M50-V68 HydrophobicContact SD-CG2 4.11Å; V51-V68 HydrophobicContact CG2-CB 3.92Å; V51-V68 HydrophobicContact CG2-CG1 4.16Å; V51-V68 HydrophobicContact CG2-CG2 3.75Å; L54-V68 HydrophobicContact CD1-CG2 3.68Å; A64-V68 WeakPolarHBondContact O-CB 3.37Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.48Å; A64-V68 PolarHBondContact O-N 3.43Å; E65-V68 PolarHBondContact O-N 3.25Å; V68-A70 PolarHBondContact O-N 2.91Å; V68-L71 PolarHBondContact O-N 3.09Å; V68-V72 HydrophobicContact CG1-CG2 4.27Å; V68-V72 VanDerWaalsContact O-CG2 3.24Å; V68-V72 WeakPolarHBondContact O-CG2 3.3Å; V68-V72 PolarHBondContact O-N 2.82Å |
| 69 | S | 89.8 | Confident | 88.9 | Confident | 72 Ų | 72 | 73.1 Ų | 73.1 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | E65 L66 I67 L71 V72 T73 | E65-S69 WeakPolarHBondContact O-CB 3.36Å; E65-S69 PolarHBondContact O-N 3.03Å; L66-S69 PolarHBondContact O-N 3.45Å; I67-S69 VanDerWaalsContact C-N 3.35Å; I67-S69 PolarHBondContact O-N 3.05Å; S69-L71 VanDerWaalsContact C-N 3.35Å; S69-L71 PolarHBondContact O-N 3.49Å; S69-V72 PolarHBondContact O-N 2.97Å; S69-T73 WeakPolarHBondContact O-CB 3.36Å; S69-T73 PolarHBondContact O-N 3.43Å; S69-T73 PolarHBondContact O-OG1 2.89Å |
| 70 | A | 91.5 | Very high | 88.5 | Confident | 58 Ų | 58 | 72 Ų | 72 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L66 I67 V68 T73 L74 | L66-A70 WeakPolarHBondContact O-CB 3.25Å; L66-A70 PolarHBondContact O-N 2.77Å; I67-A70 PolarHBondContact O-N 2.7Å; V68-A70 PolarHBondContact O-N 2.91Å; A70-T73 PolarHBondContact O-N 3.29Å; A70-L74 WeakPolarHBondContact O-CB 3.31Å; A70-L74 PolarHBondContact O-N 3.42Å |
| 71 | L | 89.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 176.4 | -74.3 | 171.3 | 0 | 0 | 0 | 112.8 | F45 M50 I67 V68 S69 T73 L74 T75 | F45-L71 HydrophobicContact CZ-CB 4.36Å; M50-L71 HydrophobicContact CE-CD1 3.31Å; M50-L71 HydrophobicContact SD-CD1 4.21Å; I67-L71 HydrophobicContact CG2-CD1 4.09Å; I67-L71 WeakPolarHBondContact O-CG 3.21Å; I67-L71 PolarHBondContact O-N 3.46Å; V68-L71 PolarHBondContact O-N 3.09Å; S69-L71 VanDerWaalsContact C-N 3.35Å; S69-L71 PolarHBondContact O-N 3.49Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-L74 PolarHBondContact O-N 2.92Å; L71-T75 WeakPolarHBondContact O-CB 3.24Å; L71-T75 PolarHBondContact O-N 3.39Å; L71-T75 PolarHBondContact O-OG1 3.18Å |
| 72 | V | 89.2 | Confident | 87.6 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 109.9 | L43 F45 S47 V68 S69 T75 T76 | L43-V72 HydrophobicContact CD2-CG1 4.39Å; L43-V72 HydrophobicContact CD2-CG2 3.91Å; F45-V72 HydrophobicContact CE2-CG2 3.85Å; F45-V72 HydrophobicContact CZ-CG2 3.78Å; S47-V72 WeakPolarHBondContact OG-CG2 3.46Å; V68-V72 HydrophobicContact CG1-CG2 4.27Å; V68-V72 VanDerWaalsContact O-CG2 3.24Å; V68-V72 WeakPolarHBondContact O-CG2 3.3Å; V68-V72 PolarHBondContact O-N 2.82Å; S69-V72 PolarHBondContact O-N 2.97Å; V72-T75 PolarHBondContact O-N 2.92Å; V72-T76 VanDerWaalsContact O-CB 3.31Å; V72-T76 WeakPolarHBondContact O-CB 3.05Å; V72-T76 PolarHBondContact O-N 3.35Å; V72-T76 PolarHBondContact O-OG1 3.48Å |
| 73 | T | 89 | Confident | 87 | Confident | 91 Ų | 91 | 66 Ų | 66 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63 | -47.8 | 180 | -55 | 0 | 0 | 0 | 0 | 111.4 | S69 A70 L71 T76 A77 | S69-T73 WeakPolarHBondContact O-CB 3.36Å; S69-T73 PolarHBondContact O-N 3.43Å; S69-T73 PolarHBondContact O-OG1 2.89Å; A70-T73 PolarHBondContact O-N 3.29Å; L71-T73 VanDerWaalsContact C-N 3.32Å; T73-T76 PolarHBondContact O-N 3.33Å; T73-A77 WeakPolarHBondContact O-CB 3.2Å; T73-A77 PolarHBondContact O-N 3.29Å |
| 74 | L | 89.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178 | -175.9 | 66.8 | 0 | 0 | 0 | 112 | A70 L71 T76 A77 N78 | A70-L74 WeakPolarHBondContact O-CB 3.31Å; A70-L74 PolarHBondContact O-N 3.42Å; L71-L74 PolarHBondContact O-N 2.92Å; L74-T76 VanDerWaalsContact C-N 3.35Å; L74-A77 PolarHBondContact O-N 2.91Å; L74-N78 WeakPolarHBondContact O-CB 3.29Å; L74-N78 PolarHBondContact O-N 2.84Å |
| 75 | T | 87.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 111 | L43 F45 L71 V72 N78 M79 | L43-T75 HydrophobicContact CD1-CG2 3.87Å; F45-T75 HydrophobicContact CE1-CG2 4.15Å; L71-T75 WeakPolarHBondContact O-CB 3.24Å; L71-T75 PolarHBondContact O-N 3.39Å; L71-T75 PolarHBondContact O-OG1 3.18Å; V72-T75 PolarHBondContact O-N 2.92Å; T75-N78 PolarHBondContact O-N 3.27Å; T75-M79 HydrophobicContact CG2-CE 4.01Å; T75-M79 HydrophobicContact CG2-CG 4.46Å; T75-M79 HydrophobicContact CG2-SD 4.42Å; T75-M79 WeakPolarHBondContact O-CB 3.43Å; T75-M79 VanDerWaalsContact O-CG 3.3Å; T75-M79 WeakPolarHBondContact O-CG 3.34Å; T75-M79 PolarHBondContact O-N 3.39Å |
| 76 | T | 85.9 | Confident | 84.7 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 37% | 0.368 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | V72 T73 L74 N78 M79 D80 | V72-T76 VanDerWaalsContact O-CB 3.31Å; V72-T76 WeakPolarHBondContact O-CB 3.05Å; V72-T76 PolarHBondContact O-N 3.35Å; V72-T76 PolarHBondContact O-OG1 3.48Å; T73-T76 PolarHBondContact O-N 3.33Å; L74-T76 VanDerWaalsContact C-N 3.35Å; T76-N78 PolarHBondContact O-N 3.44Å; T76-M79 PolarHBondContact O-N 3.37Å; T76-D80 PolarHBondContact O-N 2.98Å |
| 77 | A | 85.9 | Confident | 83.8 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T73 L74 D80 I81 | T73-A77 WeakPolarHBondContact O-CB 3.2Å; T73-A77 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 2.91Å; A77-D80 PolarHBondContact O-N 3.29Å; A77-I81 WeakPolarHBondContact O-CG1 3.35Å; A77-I81 PolarHBondContact O-N 3.41Å; A77-I81 VanDerWaalsContact O-N 3.17Å |
| 78 | N | 85.3 | Confident | 83.1 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 175.9 | -77.4 | -11.6 | 0 | 0 | 0 | 112 | L74 T75 T76 I81 V82 | L74-N78 WeakPolarHBondContact O-CB 3.29Å; L74-N78 PolarHBondContact O-N 2.84Å; T75-N78 PolarHBondContact O-N 3.27Å; T76-N78 PolarHBondContact O-N 3.44Å; N78-I81 PolarHBondContact O-N 3.36Å; N78-V82 WeakPolarHBondContact O-CB 3.29Å; N78-V82 VanDerWaalsContact O-CG2 3.31Å; N78-V82 WeakPolarHBondContact O-CG2 3.47Å; N78-V82 PolarHBondContact O-N 3.17Å |
| 79 | M | 82.9 | Confident | 82.6 | Confident | 31 Ų | 31 | 83.7 Ų | 83.7 | 15% | 0.153 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.1 | -80.3 | -174.6 | 176.3 | 0 | 0 | 110.9 | T44 T75 T76 I81 V82 Y83 | T44-M79 HydrophobicContact CG2-CE 4.09Å; T75-M79 HydrophobicContact CG2-CE 4.01Å; T75-M79 HydrophobicContact CG2-CG 4.46Å; T75-M79 HydrophobicContact CG2-SD 4.42Å; T75-M79 WeakPolarHBondContact O-CB 3.43Å; T75-M79 VanDerWaalsContact O-CG 3.3Å; T75-M79 WeakPolarHBondContact O-CG 3.34Å; T75-M79 PolarHBondContact O-N 3.39Å; T76-M79 PolarHBondContact O-N 3.37Å; M79-I81 VanDerWaalsContact C-N 3.31Å; M79-I81 PolarHBondContact O-N 2.81Å; M79-V82 PolarHBondContact O-N 3.46Å; M79-Y83 HydrophobicContact CB-CD2 3.96Å; M79-Y83 HydrophobicContact CB-CE2 3.96Å; M79-Y83 HydrophobicContact CG-CE2 4.03Å; M79-Y83 WeakPolarHBondContact O-CB 3.31Å; M79-Y83 WeakPolarHBondContact O-CD2 3.5Å; M79-Y83 PolarHBondContact O-N 3.48Å; M79-Y83 HydrophobicContact SD-CE2 4.39Å |
| 80 | D | 79.9 | Confident | 82.1 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 179 | -78.7 | -30.5 | 0 | 0 | 0 | 112.8 | R41 T76 A77 K84 | R41-D80 IonicContact CZ-OD1 3.93Å; R41-D80 IonicContact NE-OD1 2.68Å; R41-D80 PolarHBondContact NE-OD1 2.99Å; R41-D80 IonicContact NH2-OD1 3.48Å; R41-D80 PolarHBondContact NH2-OD1 2.99Å; T76-D80 PolarHBondContact O-N 2.98Å; A77-D80 PolarHBondContact O-N 3.29Å; D80-K84 VanDerWaalsContact O-CB 3.26Å; D80-K84 WeakPolarHBondContact O-CB 3.35Å; D80-K84 PolarHBondContact O-N 3.01Å |
| 81 | I | 82.3 | Confident | 81.3 | Confident | 104 Ų | 104 | 81.8 Ų | 81.8 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.7 | -49.8 | 174.3 | -65.4 | 165.8 | 0 | 0 | 0 | 110.6 | A77 N78 M79 K84 D85 | A77-I81 WeakPolarHBondContact O-CG1 3.35Å; A77-I81 PolarHBondContact O-N 3.41Å; A77-I81 VanDerWaalsContact O-N 3.17Å; N78-I81 PolarHBondContact O-N 3.36Å; M79-I81 VanDerWaalsContact C-N 3.31Å; M79-I81 PolarHBondContact O-N 2.81Å; I81-K84 PolarHBondContact O-N 3.09Å; I81-D85 PolarHBondContact O-N 2.96Å |
| 82 | V | 79.5 | Confident | 80.8 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | -177.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | N78 M79 K84 D85 M86 | N78-V82 WeakPolarHBondContact O-CB 3.29Å; N78-V82 VanDerWaalsContact O-CG2 3.31Å; N78-V82 WeakPolarHBondContact O-CG2 3.47Å; N78-V82 PolarHBondContact O-N 3.17Å; M79-V82 PolarHBondContact O-N 3.46Å; V82-K84 VanDerWaalsContact C-N 3.29Å; V82-K84 PolarHBondContact O-N 2.93Å; V82-D85 PolarHBondContact O-N 3.29Å; V82-M86 HydrophobicContact CG1-CE 3.59Å; V82-M86 HydrophobicContact CG1-CG 3.92Å; V82-M86 HydrophobicContact CG1-SD 3.57Å; V82-M86 VanDerWaalsContact CG1-SD 3.57Å; V82-M86 VanDerWaalsContact O-CB 3.29Å; V82-M86 WeakPolarHBondContact O-CB 3.45Å; V82-M86 WeakPolarHBondContact O-CG 3.38Å; V82-M86 PolarHBondContact O-N 3.29Å |
| 83 | Y | 75.3 | Confident | 80.6 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 28% | 0.282 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.3 | -20.8 | -179.3 | -73.6 | -63.8 | 0 | 0 | 0 | 113.8 | L38 M79 | L38-Y83 HydrophobicContact CD2-CD1 3.62Å; L38-Y83 HydrophobicContact CD2-CE1 4.16Å; L38-Y83 HydrophobicContact CD2-CG 4.25Å; M79-Y83 HydrophobicContact CB-CD2 3.96Å; M79-Y83 HydrophobicContact CB-CE2 3.96Å; M79-Y83 HydrophobicContact CG-CE2 4.03Å; M79-Y83 WeakPolarHBondContact O-CB 3.31Å; M79-Y83 WeakPolarHBondContact O-CD2 3.5Å; M79-Y83 PolarHBondContact O-N 3.48Å; M79-Y83 HydrophobicContact SD-CE2 4.39Å |
| 84 | K | 74.9 | Confident | 80.4 | Confident | 178 Ų | 178 | 87.6 Ų | 87.6 | 77% | 0.774 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69 | -36.5 | 172.3 | -177.8 | -180 | 175 | -176 | 0 | 112.2 | D80 I81 V82 | D80-K84 VanDerWaalsContact O-CB 3.26Å; D80-K84 WeakPolarHBondContact O-CB 3.35Å; D80-K84 PolarHBondContact O-N 3.01Å; I81-K84 PolarHBondContact O-N 3.09Å; V82-K84 VanDerWaalsContact C-N 3.29Å; V82-K84 PolarHBondContact O-N 2.93Å |
| 85 | D | 73.4 | Confident | 80.1 | Confident | 131 Ų | 131 | 84.7 Ų | 84.7 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -96.9 | -13.7 | -177.7 | -66.1 | -12.4 | 0 | 0 | 0 | 112.8 | I81 V82 | I81-D85 PolarHBondContact O-N 2.96Å; V82-D85 PolarHBondContact O-N 3.29Å |
| 86 | M | 74.3 | Confident | 80.1 | Confident | 121 Ų | 121 | 86.3 Ų | 86.3 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | trans | -81.3 | 148 | 176.5 | -80 | -164.1 | 169.9 | 0 | 0 | 113.2 | V82 | V82-M86 HydrophobicContact CG1-CE 3.59Å; V82-M86 HydrophobicContact CG1-CG 3.92Å; V82-M86 HydrophobicContact CG1-SD 3.57Å; V82-M86 VanDerWaalsContact CG1-SD 3.57Å; V82-M86 VanDerWaalsContact O-CB 3.29Å; V82-M86 WeakPolarHBondContact O-CB 3.45Å; V82-M86 WeakPolarHBondContact O-CG 3.38Å; V82-M86 PolarHBondContact O-N 3.29Å | ||
| 87 | V | 72.9 | Confident | 80.2 | Confident | 113 Ų | 113 | 88.7 Ų | 88.7 | 69% | 0.685 | 46% | 0.462 | S | S | * | . | trans | -107 | 129.3 | 172.4 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | H91 | V87-H91 HydrophobicContact CG1-CB 3.83Š| ||
| 88 | T | 76.4 | Confident | 80.2 | Confident | 35 Ų | 35 | 89 Ų | 89 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | trans | -81.4 | 156.7 | 176.1 | 70.3 | 0 | 0 | 0 | 0 | 111 | L38 S90 H91 Q92 | L38-T88 HydrophobicContact CD2-CG2 3.77Å; T88-S90 PolarHBondContact O-N 3.49Å; T88-S90 PolarHBondContact OG1-OG 2.91Å; T88-S90 VanDerWaalsContact OG1-OG 3.05Å; T88-H91 WeakPolarHBondContact O-CB 3.29Å; T88-H91 PolarHBondContact O-N 3.43Å; T88-H91 PolarHBondContact OG1-CE1 3.38Å; T88-H91 PolarHBondContact OG1-ND1 3.42Å; T88-Q92 PolarHBondContact O-N 2.93Å; T88-Q92 VanDerWaalsContact O-N 3.12Å | ||
| 89 | K | 79.7 | Confident | 80.4 | Confident | 183 Ų | 183 | 90 Ų | 90 | 80% | 0.796 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.2 | -37.4 | -179.7 | -69.5 | -173 | 178 | -178.1 | 0 | 113 | H91 Q92 E93 | K89-H91 VanDerWaalsContact C-N 3.3Å; K89-H91 PolarHBondContact O-N 3.27Å; K89-Q92 PolarHBondContact O-N 3.44Å; K89-E93 PolarHBondContact O-N 3.48Å |
| 90 | S | 78.6 | Confident | 80.8 | Confident | 61 Ų | 61 | 94 Ų | 94 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | T88 E93 I94 | T88-S90 PolarHBondContact O-N 3.49Å; T88-S90 PolarHBondContact OG1-OG 2.91Å; T88-S90 VanDerWaalsContact OG1-OG 3.05Å; S90-E93 PolarHBondContact O-N 3.22Å; S90-I94 WeakPolarHBondContact O-CD1 3.44Å; S90-I94 VanDerWaalsContact O-CG1 3.29Å; S90-I94 WeakPolarHBondContact O-CG1 3.38Å; S90-I94 PolarHBondContact O-N 3.41Å; S90-I94 VanDerWaalsContact O-N 3.09Å |
| 91 | H | 75.8 | Confident | 81.3 | Confident | 29 Ų | 29 | 93.5 Ų | 93.5 | 13% | 0.134 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 177.6 | -71.2 | 58.2 | 0 | 0 | 0 | 111.4 | L35 V87 T88 K89 E93 I94 A95 | L35-H91 VanDerWaalsContact CD2-CD2 3.48Å; L35-H91 WeakPolarHBondContact CD2-CD2 3.37Å; L35-H91 WeakPolarHBondContact CD2-NE2 3.31Å; V87-H91 HydrophobicContact CG1-CB 3.83Å; T88-H91 WeakPolarHBondContact O-CB 3.29Å; T88-H91 PolarHBondContact O-N 3.43Å; T88-H91 PolarHBondContact OG1-CE1 3.38Å; T88-H91 PolarHBondContact OG1-ND1 3.42Å; K89-H91 VanDerWaalsContact C-N 3.3Å; K89-H91 PolarHBondContact O-N 3.27Å; H91-E93 VanDerWaalsContact C-N 3.34Å; H91-E93 PolarHBondContact O-N 2.96Å; H91-I94 PolarHBondContact O-N 2.88Å; H91-A95 WeakPolarHBondContact O-CB 3.46Å; H91-A95 PolarHBondContact O-N 3.22Å |
| 92 | Q | 79.4 | Confident | 81.7 | Confident | 125 Ų | 125 | 93 Ų | 93 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 174.7 | -174.3 | 178.9 | -0.8 | 0 | 0 | 111.4 | T88 K89 A95 V96 | T88-Q92 PolarHBondContact O-N 2.93Å; T88-Q92 VanDerWaalsContact O-N 3.12Å; K89-Q92 PolarHBondContact O-N 3.44Å; Q92-A95 PolarHBondContact O-N 3.29Å; Q92-V96 VanDerWaalsContact O-CG2 3.29Å; Q92-V96 WeakPolarHBondContact O-CG2 3.34Å; Q92-V96 PolarHBondContact O-N 2.98Å |
| 93 | E | 84.4 | Confident | 82.4 | Confident | 122 Ų | 122 | 94.2 Ų | 94.2 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 179.5 | -171.5 | 174 | -178.3 | 0 | 0 | 112.3 | K89 S90 H91 A95 V96 Q97 | K89-E93 PolarHBondContact O-N 3.48Å; S90-E93 PolarHBondContact O-N 3.22Å; H91-E93 VanDerWaalsContact C-N 3.34Å; H91-E93 PolarHBondContact O-N 2.96Å; E93-A95 PolarHBondContact O-N 3.4Å; E93-V96 PolarHBondContact O-N 3Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 3.39Å |
| 94 | I | 84.7 | Confident | 83.3 | Confident | 67 Ų | 67 | 94 Ų | 94 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.9 | -67.4 | 163.4 | 0 | 0 | 0 | 110.8 | V33 S90 H91 V96 Q97 Q98 | V33-I94 HydrophobicContact CG1-CD1 4.35Å; V33-I94 HydrophobicContact CG2-CG2 3.93Å; S90-I94 WeakPolarHBondContact O-CD1 3.44Å; S90-I94 VanDerWaalsContact O-CG1 3.29Å; S90-I94 WeakPolarHBondContact O-CG1 3.38Å; S90-I94 PolarHBondContact O-N 3.41Å; S90-I94 VanDerWaalsContact O-N 3.09Å; H91-I94 PolarHBondContact O-N 2.88Å; I94-V96 VanDerWaalsContact C-N 3.34Å; I94-V96 PolarHBondContact O-N 3.04Å; I94-Q97 PolarHBondContact O-N 3.37Å; I94-Q98 WeakPolarHBondContact O-CG 3.38Å; I94-Q98 PolarHBondContact O-N 2.98Å |
| 95 | A | 82.8 | Confident | 84.2 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 33% | 0.331 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H91 Q92 E93 Q98 I99 | H91-A95 WeakPolarHBondContact O-CB 3.46Å; H91-A95 PolarHBondContact O-N 3.22Å; Q92-A95 PolarHBondContact O-N 3.29Å; E93-A95 PolarHBondContact O-N 3.4Å; A95-Q98 PolarHBondContact O-N 3.06Å; A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.23Å; A95-I99 PolarHBondContact O-N 3.04Å |
| 96 | V | 86.9 | Confident | 85.1 | Confident | 70 Ų | 70 | 87.4 Ų | 87.4 | 42% | 0.424 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 111 | Q92 E93 I94 Q98 I99 M100 | Q92-V96 VanDerWaalsContact O-CG2 3.29Å; Q92-V96 WeakPolarHBondContact O-CG2 3.34Å; Q92-V96 PolarHBondContact O-N 2.98Å; E93-V96 PolarHBondContact O-N 3Å; I94-V96 VanDerWaalsContact C-N 3.34Å; I94-V96 PolarHBondContact O-N 3.04Å; V96-Q98 VanDerWaalsContact C-N 3.31Å; V96-Q98 PolarHBondContact O-N 3.15Å; V96-I99 PolarHBondContact O-N 3.08Å; V96-M100 HydrophobicContact CG1-CG 4.33Å; V96-M100 HydrophobicContact CG1-SD 4.09Å; V96-M100 WeakPolarHBondContact O-CG 3.48Å; V96-M100 PolarHBondContact O-N 2.95Å |
| 97 | Q | 87.9 | Confident | 86.1 | Confident | 111 Ų | 111 | 88.4 Ų | 88.4 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 177.2 | -73.7 | 178.2 | 2.4 | 0 | 0 | 112.1 | E93 I94 M100 A101 | E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 3.39Å; I94-Q97 PolarHBondContact O-N 3.37Å; Q97-M100 PolarHBondContact O-N 3.32Å; Q97-A101 WeakPolarHBondContact O-CB 3.42Å; Q97-A101 PolarHBondContact O-N 3.47Å |
| 98 | Q | 87.8 | Confident | 87.2 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 26% | 0.262 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.7 | -72.9 | 176.2 | -10.8 | 0 | 0 | 111.6 | I94 A95 V96 M100 A101 H102 | I94-Q98 WeakPolarHBondContact O-CG 3.38Å; I94-Q98 PolarHBondContact O-N 2.98Å; A95-Q98 PolarHBondContact O-N 3.06Å; V96-Q98 VanDerWaalsContact C-N 3.31Å; V96-Q98 PolarHBondContact O-N 3.15Å; Q98-M100 VanDerWaalsContact C-N 3.31Å; Q98-M100 PolarHBondContact O-N 3.48Å; Q98-A101 PolarHBondContact O-N 3.19Å; Q98-H102 PolarHBondContact O-CD2 2.98Å; Q98-H102 PolarHBondContact O-N 3.42Å |
| 99 | I | 87.6 | Confident | 88 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 177.2 | -68 | 165.6 | 0 | 0 | 0 | 110.5 | A95 V96 A101 H102 L103 | A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.23Å; A95-I99 PolarHBondContact O-N 3.04Å; V96-I99 PolarHBondContact O-N 3.08Å; I99-A101 PolarHBondContact O-N 3Å; I99-H102 PolarHBondContact O-N 2.94Å; I99-L103 HydrophobicContact CG2-CD1 4.11Å; I99-L103 HydrophobicContact CG2-CG 4.41Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 2.98Å |
| 100 | M | 91.4 | Very high | 88.6 | Confident | 115 Ų | 115 | 88.7 Ų | 88.7 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 177.5 | -70.4 | -176 | 90.8 | 0 | 0 | 111.9 | V96 Q97 Q98 H102 L103 D104 | V96-M100 HydrophobicContact CG1-CG 4.33Å; V96-M100 HydrophobicContact CG1-SD 4.09Å; V96-M100 WeakPolarHBondContact O-CG 3.48Å; V96-M100 PolarHBondContact O-N 2.95Å; Q97-M100 PolarHBondContact O-N 3.32Å; Q98-M100 VanDerWaalsContact C-N 3.31Å; Q98-M100 PolarHBondContact O-N 3.48Å; M100-H102 VanDerWaalsContact C-N 3.34Å; M100-H102 PolarHBondContact O-N 3.32Å; M100-L103 PolarHBondContact O-N 3.22Å; M100-D104 PolarHBondContact O-N 3.02Å |
| 101 | A | 91.3 | Very high | 89.3 | Confident | 60 Ų | 60 | 88.3 Ų | 88.3 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q97 Q98 I99 D104 S105 | Q97-A101 WeakPolarHBondContact O-CB 3.42Å; Q97-A101 PolarHBondContact O-N 3.47Å; Q98-A101 PolarHBondContact O-N 3.19Å; I99-A101 PolarHBondContact O-N 3Å; A101-D104 PolarHBondContact O-N 3.46Å; A101-S105 PolarHBondContact O-N 2.83Å |
| 102 | H | 90.5 | Very high | 90.1 | Very high | 92 Ų | 92 | 91.7 Ų | 91.7 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.9 | -72.5 | -60.8 | 0 | 0 | 0 | 112.2 | Q98 I99 M100 D104 S105 I106 | Q98-H102 PolarHBondContact O-CD2 2.98Å; Q98-H102 PolarHBondContact O-N 3.42Å; I99-H102 PolarHBondContact O-N 2.94Å; M100-H102 VanDerWaalsContact C-N 3.34Å; M100-H102 PolarHBondContact O-N 3.32Å; H102-D104 VanDerWaalsContact C-N 3.3Å; H102-D104 PolarHBondContact O-N 3.49Å; H102-S105 WeakPolarHBondContact O-CB 3.4Å; H102-S105 PolarHBondContact O-N 3.46Å; H102-I106 WeakPolarHBondContact O-CG1 3.36Å; H102-I106 PolarHBondContact O-N 3.46Å |
| 103 | L | 93.5 | Very high | 90.7 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 49% | 0.492 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 175.5 | -72.4 | 176.1 | 0 | 0 | 0 | 112.1 | I99 M100 I106 R107 | I99-L103 HydrophobicContact CG2-CD1 4.11Å; I99-L103 HydrophobicContact CG2-CG 4.41Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 2.98Å; M100-L103 PolarHBondContact O-N 3.22Å; L103-I106 PolarHBondContact O-N 2.82Å; L103-R107 WeakPolarHBondContact O-CB 3.41Å; L103-R107 PolarHBondContact O-N 3.13Å |
| 104 | D | 94.9 | Very high | 90.8 | Very high | 68 Ų | 68 | 88.9 Ų | 88.9 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 176.2 | -76.3 | -18.5 | 0 | 0 | 0 | 112.4 | M100 A101 H102 R107 K108 | M100-D104 PolarHBondContact O-N 3.02Å; A101-D104 PolarHBondContact O-N 3.46Å; H102-D104 VanDerWaalsContact C-N 3.3Å; H102-D104 PolarHBondContact O-N 3.49Å; D104-R107 PolarHBondContact O-N 2.9Å; D104-R107 IonicContact OD1-CZ 3.42Å; D104-R107 IonicContact OD1-NH1 2.7Å; D104-R107 PolarHBondContact OD1-NH1 2.98Å; D104-R107 IonicContact OD1-NH2 3.53Å; D104-K108 WeakPolarHBondContact O-CG 3.26Å; D104-K108 PolarHBondContact O-N 2.96Å; D104-K108 VanDerWaalsContact O-N 3.08Å |
| 105 | S | 93.9 | Very high | 91 | Very high | 60 Ų | 60 | 93.2 Ų | 93.2 | 42% | 0.42 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 171.6 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | A101 H102 R107 K108 D109 | A101-S105 PolarHBondContact O-N 2.83Å; H102-S105 WeakPolarHBondContact O-CB 3.4Å; H102-S105 PolarHBondContact O-N 3.46Å; S105-R107 VanDerWaalsContact C-N 3.26Å; S105-R107 PolarHBondContact O-N 3.29Å; S105-K108 WeakPolarHBondContact O-CB 3.42Å; S105-K108 PolarHBondContact O-N 2.92Å; S105-D109 PolarHBondContact O-N 2.91Å |
| 106 | I | 93.2 | Very high | 91.4 | Very high | 110 Ų | 110 | 94 Ų | 94 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.6 | -40.8 | 178.6 | -67.3 | 167.1 | 0 | 0 | 0 | 110.7 | H102 L103 K108 D109 M110 | H102-I106 WeakPolarHBondContact O-CG1 3.36Å; H102-I106 PolarHBondContact O-N 3.46Å; L103-I106 PolarHBondContact O-N 2.82Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 2.94Å; I106-D109 PolarHBondContact O-N 3.16Å; I106-M110 WeakPolarHBondContact O-CB 3.48Å; I106-M110 PolarHBondContact O-N 2.75Å |
| 107 | R | 95.3 | Very high | 91.5 | Very high | 143 Ų | 143 | 95.8 Ų | 95.8 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.7 | -168.5 | -173.1 | -60.6 | 129 | 8.2 | 111.7 | L103 D104 S105 V111 | L103-R107 WeakPolarHBondContact O-CB 3.41Å; L103-R107 PolarHBondContact O-N 3.13Å; D104-R107 PolarHBondContact O-N 2.9Å; D104-R107 IonicContact OD1-CZ 3.42Å; D104-R107 IonicContact OD1-NH1 2.7Å; D104-R107 PolarHBondContact OD1-NH1 2.98Å; D104-R107 IonicContact OD1-NH2 3.53Å; S105-R107 VanDerWaalsContact C-N 3.26Å; S105-R107 PolarHBondContact O-N 3.29Å; R107-V111 WeakPolarHBondContact O-CG2 3.46Å; R107-V111 PolarHBondContact O-N 2.91Å; R107-V111 VanDerWaalsContact O-N 3.09Å |
| 108 | K | 94.6 | Very high | 91.8 | Very high | 142 Ų | 142 | 96.3 Ų | 96.3 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 176.1 | -73 | 171.2 | -174.8 | 172.5 | 0 | 111 | D104 S105 I106 M110 V111 I112 | D104-K108 WeakPolarHBondContact O-CG 3.26Å; D104-K108 PolarHBondContact O-N 2.96Å; D104-K108 VanDerWaalsContact O-N 3.08Å; S105-K108 WeakPolarHBondContact O-CB 3.42Å; S105-K108 PolarHBondContact O-N 2.92Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 2.94Å; K108-M110 VanDerWaalsContact C-N 3.32Å; K108-M110 PolarHBondContact O-N 3.04Å; K108-V111 PolarHBondContact O-N 3.21Å; K108-I112 VanDerWaalsContact O-CG1 3.3Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 2.91Å |
| 109 | D | 93.1 | Very high | 92 | Very high | 96 Ų | 96 | 96.1 Ų | 96.1 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 179.4 | -64 | -22.9 | 0 | 0 | 0 | 111.2 | S105 I106 V111 I112 L113 | S105-D109 PolarHBondContact O-N 2.91Å; I106-D109 PolarHBondContact O-N 3.16Å; D109-V111 PolarHBondContact O-N 3.17Å; D109-I112 PolarHBondContact O-N 3.16Å; D109-L113 WeakPolarHBondContact O-CB 3.11Å; D109-L113 PolarHBondContact O-N 2.76Å |
| 110 | M | 93.2 | Very high | 92.3 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 174.4 | -173.7 | -177.4 | 80.9 | 0 | 0 | 112.2 | I106 K108 I112 L113 E114 | I106-M110 WeakPolarHBondContact O-CB 3.48Å; I106-M110 PolarHBondContact O-N 2.75Å; K108-M110 VanDerWaalsContact C-N 3.32Å; K108-M110 PolarHBondContact O-N 3.04Å; M110-I112 VanDerWaalsContact C-N 3.35Å; M110-I112 PolarHBondContact O-N 2.73Å; M110-L113 WeakPolarHBondContact O-CB 3.48Å; M110-L113 PolarHBondContact O-N 2.78Å; M110-E114 WeakPolarHBondContact O-CG 3.15Å; M110-E114 PolarHBondContact O-N 2.97Å |
| 111 | V | 93.1 | Very high | 92.5 | Very high | 54 Ų | 54 | 95.3 Ų | 95.3 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | R107 K108 D109 K115 | R107-V111 WeakPolarHBondContact O-CG2 3.46Å; R107-V111 PolarHBondContact O-N 2.91Å; R107-V111 VanDerWaalsContact O-N 3.09Å; K108-V111 PolarHBondContact O-N 3.21Å; D109-V111 PolarHBondContact O-N 3.17Å; V111-K115 HydrophobicContact CG1-CD 3.87Å; V111-K115 HydrophobicContact CG1-CG 4.31Å; V111-K115 VanDerWaalsContact O-CB 3.3Å; V111-K115 WeakPolarHBondContact O-CB 3.3Å; V111-K115 WeakPolarHBondContact O-CG 3.29Å; V111-K115 PolarHBondContact O-N 3.47Å |
| 112 | I | 92 | Very high | 92.6 | Very high | 99 Ų | 99 | 102 Ų | 102 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.7 | -68.7 | 164.9 | 0 | 0 | 0 | 109.9 | K108 D109 M110 K115 S116 | K108-I112 VanDerWaalsContact O-CG1 3.3Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 2.91Å; D109-I112 PolarHBondContact O-N 3.16Å; M110-I112 VanDerWaalsContact C-N 3.35Å; M110-I112 PolarHBondContact O-N 2.73Å; I112-K115 PolarHBondContact O-N 3.48Å; I112-S116 WeakPolarHBondContact O-CA 3.26Å; I112-S116 WeakPolarHBondContact O-CB 3.38Å; I112-S116 PolarHBondContact O-N 2.83Å |
| 113 | L | 92.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 101.1 Ų | 101.1 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -58.8 | -51.5 | 178 | -166.9 | 75.6 | 0 | 0 | 0 | 111.1 | D109 M110 E117 F118 | D109-L113 WeakPolarHBondContact O-CB 3.11Å; D109-L113 PolarHBondContact O-N 2.76Å; M110-L113 WeakPolarHBondContact O-CB 3.48Å; M110-L113 PolarHBondContact O-N 2.78Å; L113-E117 HydrophobicContact CD1-CB 4.24Å; L113-E117 HydrophobicContact CD1-CG 4.19Å; L113-E117 WeakPolarHBondContact CD1-OE2 3.48Å; L113-E117 PolarHBondContact O-N 3.45Å; L113-E117 VanDerWaalsContact O-N 3.13Å; L113-F118 HydrophobicContact CD2-CE2 4.1Å; L113-F118 HydrophobicContact CG-CD2 4.34Å; L113-F118 HydrophobicContact CG-CE2 4.01Å; L113-F118 WeakPolarHBondContact O-CD2 3.36Å; L113-F118 PolarHBondContact O-N 3.26Å; L113-F118 VanDerWaalsContact O-N 3.16Å |
| 114 | E | 85.5 | Confident | 93 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | I | π-helix | trans | -61.2 | -44.6 | 178.8 | -76.7 | -174.5 | 171.6 | 0 | 0 | 113.3 | M110 | M110-E114 WeakPolarHBondContact O-CG 3.15Å; M110-E114 PolarHBondContact O-N 2.97Å |
| 115 | K | 90.6 | Very high | 93.1 | Very high | 159 Ų | 159 | 103.4 Ų | 103.4 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | I | π-helix | trans | -83.7 | -35.5 | -174.3 | -71 | -173 | 177.2 | -179.2 | 0 | 113.7 | V111 I112 A119 | V111-K115 HydrophobicContact CG1-CD 3.87Å; V111-K115 HydrophobicContact CG1-CG 4.31Å; V111-K115 VanDerWaalsContact O-CB 3.3Å; V111-K115 WeakPolarHBondContact O-CB 3.3Å; V111-K115 WeakPolarHBondContact O-CG 3.29Å; V111-K115 PolarHBondContact O-N 3.47Å; I112-K115 PolarHBondContact O-N 3.48Å; K115-A119 WeakPolarHBondContact O-CB 3.1Å |
| 116 | S | 90.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 103.6 Ų | 103.6 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | I | π-helix | trans | -95.5 | -62.4 | -174.5 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | I112 A119 N120 | I112-S116 WeakPolarHBondContact O-CA 3.26Å; I112-S116 WeakPolarHBondContact O-CB 3.38Å; I112-S116 PolarHBondContact O-N 2.83Å; S116-A119 PolarHBondContact O-N 2.91Å; S116-N120 VanDerWaalsContact O-CB 3.29Å; S116-N120 WeakPolarHBondContact O-CB 3.38Å; S116-N120 PolarHBondContact O-N 3.38Å; S116-N120 PolarHBondContact O-ND2 3.46Å; S116-N120 VanDerWaalsContact O-ND2 3.14Å |
| 117 | E | 90.2 | Very high | 93.5 | Very high | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -72.4 | -45.7 | -168.5 | -61.5 | -163.5 | 174.1 | 0 | 0 | 112.1 | L113 A119 N120 L121 | L113-E117 HydrophobicContact CD1-CB 4.24Å; L113-E117 HydrophobicContact CD1-CG 4.19Å; L113-E117 WeakPolarHBondContact CD1-OE2 3.48Å; L113-E117 PolarHBondContact O-N 3.45Å; L113-E117 VanDerWaalsContact O-N 3.13Å; E117-A119 PolarHBondContact O-N 3.43Å; E117-N120 PolarHBondContact O-N 3.42Å; E117-L121 WeakPolarHBondContact O-CB 3.28Å; E117-L121 WeakPolarHBondContact O-CG 3.4Å; E117-L121 PolarHBondContact O-N 2.85Å |
| 118 | F | 92.9 | Very high | 93.6 | Very high | 122 Ų | 122 | 101.4 Ų | 101.4 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 177.3 | -78.2 | -74.6 | 0 | 0 | 0 | 112.7 | L113 R122 | L113-F118 HydrophobicContact CD2-CE2 4.1Å; L113-F118 HydrophobicContact CG-CD2 4.34Å; L113-F118 HydrophobicContact CG-CE2 4.01Å; L113-F118 WeakPolarHBondContact O-CD2 3.36Å; L113-F118 PolarHBondContact O-N 3.26Å; L113-F118 VanDerWaalsContact O-N 3.16Å; F118-R122 VanDerWaalsContact O-CB 3.26Å; F118-R122 WeakPolarHBondContact O-CB 3.48Å; F118-R122 PolarHBondContact O-N 3.2Å |
| 119 | A | 92.2 | Very high | 93.8 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K115 S116 E117 R122 S123 | K115-A119 WeakPolarHBondContact O-CB 3.1Å; S116-A119 PolarHBondContact O-N 2.91Å; E117-A119 PolarHBondContact O-N 3.43Å; A119-R122 PolarHBondContact O-N 3.34Å; A119-S123 WeakPolarHBondContact O-CB 3.47Å; A119-S123 PolarHBondContact O-N 2.94Å |
| 120 | N | 94.3 | Very high | 94 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 175.9 | -71.7 | -20.4 | 0 | 0 | 0 | 111.2 | S116 E117 R122 S123 E124 | S116-N120 VanDerWaalsContact O-CB 3.29Å; S116-N120 WeakPolarHBondContact O-CB 3.38Å; S116-N120 PolarHBondContact O-N 3.38Å; S116-N120 PolarHBondContact O-ND2 3.46Å; S116-N120 VanDerWaalsContact O-ND2 3.14Å; E117-N120 PolarHBondContact O-N 3.42Å; N120-R122 VanDerWaalsContact C-N 3.32Å; N120-R122 PolarHBondContact O-N 2.94Å; N120-S123 WeakPolarHBondContact O-CB 3.37Å; N120-S123 PolarHBondContact O-N 3.39Å; N120-E124 WeakPolarHBondContact O-CB 3.4Å; N120-E124 PolarHBondContact O-N 2.81Å |
| 121 | L | 95 | Very high | 94.3 | Very high | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.3 | -75.2 | 173.3 | 0 | 0 | 0 | 112 | E117 E124 N125 | E117-L121 WeakPolarHBondContact O-CB 3.28Å; E117-L121 WeakPolarHBondContact O-CG 3.4Å; E117-L121 PolarHBondContact O-N 2.85Å; L121-E124 PolarHBondContact O-N 2.96Å; L121-N125 WeakPolarHBondContact O-CB 3.38Å; L121-N125 PolarHBondContact O-N 2.87Å |
| 122 | R | 94.1 | Very high | 94.5 | Very high | 199 Ų | 199 | 104.7 Ų | 104.7 | 75% | 0.751 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 177.1 | -169.2 | 170.4 | -175.7 | 151.1 | -0 | 111.4 | F118 A119 N120 N125 T126 | F118-R122 VanDerWaalsContact O-CB 3.26Å; F118-R122 WeakPolarHBondContact O-CB 3.48Å; F118-R122 PolarHBondContact O-N 3.2Å; A119-R122 PolarHBondContact O-N 3.34Å; N120-R122 VanDerWaalsContact C-N 3.32Å; N120-R122 PolarHBondContact O-N 2.94Å; R122-N125 PolarHBondContact O-N 3.14Å; R122-T126 VanDerWaalsContact O-CG2 3.28Å; R122-T126 WeakPolarHBondContact O-CG2 3.44Å; R122-T126 PolarHBondContact O-N 3.41Å; R122-T126 PolarHBondContact O-OG1 3.41Å |
| 123 | S | 95.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 175 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | A119 N120 N125 T126 K127 | A119-S123 WeakPolarHBondContact O-CB 3.47Å; A119-S123 PolarHBondContact O-N 2.94Å; N120-S123 WeakPolarHBondContact O-CB 3.37Å; N120-S123 PolarHBondContact O-N 3.39Å; S123-N125 PolarHBondContact O-N 3.4Å; S123-T126 PolarHBondContact O-N 2.97Å; S123-T126 PolarHBondContact O-OG1 2.97Å; S123-K127 WeakPolarHBondContact O-CB 3.39Å; S123-K127 PolarHBondContact O-N 3.34Å |
| 124 | E | 96.5 | Very high | 95.1 | Very high | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 178.4 | -167.6 | 177 | -177.9 | 0 | 0 | 111.8 | N120 L121 T126 K127 M128 | N120-E124 WeakPolarHBondContact O-CB 3.4Å; N120-E124 PolarHBondContact O-N 2.81Å; L121-E124 PolarHBondContact O-N 2.96Å; E124-T126 PolarHBondContact O-N 3.45Å; E124-K127 WeakPolarHBondContact O-CB 3.29Å; E124-K127 PolarHBondContact O-N 2.96Å; E124-M128 HydrophobicContact CG-CE 4.26Å; E124-M128 WeakPolarHBondContact O-CG 3.33Å; E124-M128 PolarHBondContact O-N 3.36Å |
| 125 | N | 97.2 | Very high | 95.7 | Very high | 101 Ų | 101 | 106 Ų | 106 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.6 | -167 | -80 | 0 | 0 | 0 | 111.9 | L121 R122 S123 K127 M128 K129 | L121-N125 WeakPolarHBondContact O-CB 3.38Å; L121-N125 PolarHBondContact O-N 2.87Å; R122-N125 PolarHBondContact O-N 3.14Å; S123-N125 PolarHBondContact O-N 3.4Å; N125-K127 VanDerWaalsContact C-N 3.29Å; N125-K127 PolarHBondContact O-N 2.75Å; N125-M128 PolarHBondContact O-N 3.44Å; N125-K129 WeakPolarHBondContact O-CB 3.22Å; N125-K129 PolarHBondContact O-N 2.99Å |
| 126 | T | 97.1 | Very high | 96 | Very high | 64 Ų | 64 | 104.2 Ų | 104.2 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -32.4 | 176 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | R122 S123 E124 R130 | R122-T126 VanDerWaalsContact O-CG2 3.28Å; R122-T126 WeakPolarHBondContact O-CG2 3.44Å; R122-T126 PolarHBondContact O-N 3.41Å; R122-T126 PolarHBondContact O-OG1 3.41Å; S123-T126 PolarHBondContact O-N 2.97Å; S123-T126 PolarHBondContact O-OG1 2.97Å; E124-T126 PolarHBondContact O-N 3.45Å; T126-R130 WeakPolarHBondContact O-CG 3.46Å; T126-R130 PolarHBondContact O-N 3.34Å; T126-R130 VanDerWaalsContact O-N 3.16Å; T126-R130 PolarHBondContact O-NE 3Å |
| 127 | K | 98 | Very high | 96.4 | Very high | 109 Ų | 109 | 105.9 Ų | 105.9 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -50.3 | 175.1 | -178.6 | -177 | 168.9 | -173.8 | 0 | 110.7 | S123 E124 N125 K129 R130 E131 | S123-K127 WeakPolarHBondContact O-CB 3.39Å; S123-K127 PolarHBondContact O-N 3.34Å; E124-K127 WeakPolarHBondContact O-CB 3.29Å; E124-K127 PolarHBondContact O-N 2.96Å; N125-K127 VanDerWaalsContact C-N 3.29Å; N125-K127 PolarHBondContact O-N 2.75Å; K127-K129 VanDerWaalsContact C-N 3.28Å; K127-K129 PolarHBondContact O-N 3.13Å; K127-R130 PolarHBondContact O-N 2.92Å; K127-R130 VanDerWaalsContact O-N 3.13Å; K127-E131 WeakPolarHBondContact CE-OE1 2.96Å; K127-E131 IonicContact NZ-OE1 3.51Å; K127-E131 PolarHBondContact O-N 3.45Å |
| 128 | M | 97.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 108.4 Ų | 108.4 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.6 | -41.6 | 176.3 | -73.3 | -170.1 | -70.1 | 0 | 0 | 111.7 | E124 N125 R130 E131 L132 | E124-M128 HydrophobicContact CG-CE 4.26Å; E124-M128 WeakPolarHBondContact O-CG 3.33Å; E124-M128 PolarHBondContact O-N 3.36Å; N125-M128 PolarHBondContact O-N 3.44Å; M128-R130 PolarHBondContact O-N 2.85Å; M128-E131 PolarHBondContact O-N 2.98Å; M128-L132 WeakPolarHBondContact O-CB 3.45Å; M128-L132 PolarHBondContact O-N 3.48Å |
| 129 | K | 98.1 | Very high | 97 | Very high | 128 Ų | 128 | 108.8 Ų | 108.8 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 176.4 | -170.3 | 178.2 | 178 | -175.9 | 0 | 112.2 | N125 K127 L132 E133 | N125-K129 WeakPolarHBondContact O-CB 3.22Å; N125-K129 PolarHBondContact O-N 2.99Å; K127-K129 VanDerWaalsContact C-N 3.28Å; K127-K129 PolarHBondContact O-N 3.13Å; K129-L132 PolarHBondContact O-N 3.34Å; K129-E133 VanDerWaalsContact CE-OE1 3.29Å; K129-E133 WeakPolarHBondContact CE-OE1 3.3Å; K129-E133 WeakPolarHBondContact O-CG 3.18Å; K129-E133 PolarHBondContact O-N 2.92Å |
| 130 | R | 98 | Very high | 97.3 | Very high | 131 Ų | 131 | 112.4 Ų | 112.4 | 49% | 0.494 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.3 | -77.2 | 179.9 | -78.6 | 123 | -9.7 | 112.4 | T126 K127 M128 L132 E133 Q134 | T126-R130 WeakPolarHBondContact O-CG 3.46Å; T126-R130 PolarHBondContact O-N 3.34Å; T126-R130 VanDerWaalsContact O-N 3.16Å; T126-R130 PolarHBondContact O-NE 3Å; K127-R130 PolarHBondContact O-N 2.92Å; K127-R130 VanDerWaalsContact O-N 3.13Å; M128-R130 PolarHBondContact O-N 2.85Å; R130-L132 VanDerWaalsContact C-N 3.33Å; R130-E133 PolarHBondContact O-N 2.91Å; R130-Q134 VanDerWaalsContact O-CG 3.3Å; R130-Q134 WeakPolarHBondContact O-CG 3.43Å; R130-Q134 PolarHBondContact O-N 3.4Å |
| 131 | E | 98.1 | Very high | 97.5 | Very high | 91 Ų | 91 | 113.7 Ų | 113.7 | 43% | 0.425 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 177 | -71.9 | 175.7 | -173 | 0 | 0 | 111.5 | K127 M128 Q134 L135 | K127-E131 WeakPolarHBondContact CE-OE1 2.96Å; K127-E131 IonicContact NZ-OE1 3.51Å; K127-E131 PolarHBondContact O-N 3.45Å; M128-E131 PolarHBondContact O-N 2.98Å; E131-Q134 PolarHBondContact O-N 3.45Å; E131-L135 WeakPolarHBondContact O-CG 3.37Å; E131-L135 PolarHBondContact O-N 3.4Å |
| 132 | L | 98.3 | Very high | 97.6 | Very high | 110 Ų | 110 | 113.7 Ų | 113.7 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 175.9 | -172.4 | 145.6 | 0 | 0 | 0 | 111.9 | M128 K129 R130 Q134 L135 Q136 | M128-L132 WeakPolarHBondContact O-CB 3.45Å; M128-L132 PolarHBondContact O-N 3.48Å; K129-L132 PolarHBondContact O-N 3.34Å; R130-L132 VanDerWaalsContact C-N 3.33Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.99Å; L132-L135 PolarHBondContact O-N 2.89Å; L132-Q136 WeakPolarHBondContact O-CB 3.36Å; L132-Q136 PolarHBondContact O-N 3.3Å |
| 133 | E | 98.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 107.9 Ų | 107.9 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 175 | -74.2 | 170.4 | -171.9 | 0 | 0 | 111.5 | K129 R130 Q136 N137 | K129-E133 VanDerWaalsContact CE-OE1 3.29Å; K129-E133 WeakPolarHBondContact CE-OE1 3.3Å; K129-E133 WeakPolarHBondContact O-CG 3.18Å; K129-E133 PolarHBondContact O-N 2.92Å; R130-E133 PolarHBondContact O-N 2.91Å; E133-Q136 PolarHBondContact O-N 3.39Å; E133-N137 VanDerWaalsContact O-CG 3.29Å; E133-N137 PolarHBondContact O-N 3.17Å; E133-N137 PolarHBondContact O-ND2 3.4Å |
| 134 | Q | 98.1 | Very high | 97.9 | Very high | 113 Ų | 113 | 109.8 Ų | 109.8 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175.5 | -74.7 | 177.3 | 0 | 0 | 0 | 112.6 | R130 E131 L132 Q136 N137 R138 | R130-Q134 VanDerWaalsContact O-CG 3.3Å; R130-Q134 WeakPolarHBondContact O-CG 3.43Å; R130-Q134 PolarHBondContact O-N 3.4Å; E131-Q134 PolarHBondContact O-N 3.45Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.99Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q134-N137 PolarHBondContact O-N 2.86Å; Q134-R138 WeakPolarHBondContact O-CG 3.48Å; Q134-R138 PolarHBondContact O-N 2.88Å |
| 135 | L | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 177.2 | -73.5 | 174.5 | 0 | 0 | 0 | 111.7 | E131 L132 R138 L139 | E131-L135 WeakPolarHBondContact O-CG 3.37Å; E131-L135 PolarHBondContact O-N 3.4Å; L132-L135 PolarHBondContact O-N 2.89Å; L135-R138 PolarHBondContact O-N 3.29Å; L135-L139 VanDerWaalsContact O-CB 3.3Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 PolarHBondContact O-N 2.89Å |
| 136 | Q | 98.2 | Very high | 98.1 | Very high | 122 Ų | 122 | 108.2 Ų | 108.2 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 176.7 | -174.1 | 178.6 | -5.2 | 0 | 0 | 111.6 | L132 E133 Q134 L139 K140 | L132-Q136 WeakPolarHBondContact O-CB 3.36Å; L132-Q136 PolarHBondContact O-N 3.3Å; E133-Q136 PolarHBondContact O-N 3.39Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-L139 PolarHBondContact O-N 2.91Å; Q136-K140 WeakPolarHBondContact O-CB 3.3Å; Q136-K140 PolarHBondContact O-N 3.19Å |
| 137 | N | 98 | Very high | 98.1 | Very high | 91 Ų | 91 | 114.2 Ų | 114.2 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 177.1 | -71.2 | -17.4 | 0 | 0 | 0 | 111.5 | E133 Q134 L139 K140 E141 | E133-N137 VanDerWaalsContact O-CG 3.29Å; E133-N137 PolarHBondContact O-N 3.17Å; E133-N137 PolarHBondContact O-ND2 3.4Å; Q134-N137 PolarHBondContact O-N 2.86Å; N137-L139 VanDerWaalsContact C-N 3.34Å; N137-L139 PolarHBondContact O-N 2.92Å; N137-K140 WeakPolarHBondContact O-CB 3.37Å; N137-K140 PolarHBondContact O-N 3.38Å; N137-E141 WeakPolarHBondContact O-CG 3.39Å; N137-E141 PolarHBondContact O-N 3.45Å |
| 138 | R | 98 | Very high | 98.1 | Very high | 162 Ų | 162 | 112 Ų | 112 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.1 | -43.6 | 176 | -74 | 178.8 | -179.1 | -175.6 | 1.6 | 112.4 | Q134 L135 K140 E141 E142 | Q134-R138 WeakPolarHBondContact O-CG 3.48Å; Q134-R138 PolarHBondContact O-N 2.88Å; L135-R138 PolarHBondContact O-N 3.29Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 2.91Å; R138-E141 PolarHBondContact O-N 3.31Å; R138-E142 WeakPolarHBondContact O-CB 3.19Å; R138-E142 WeakPolarHBondContact O-CG 3.38Å; R138-E142 PolarHBondContact O-N 2.92Å |
| 139 | L | 98.2 | Very high | 98.1 | Very high | 129 Ų | 129 | 111.7 Ų | 111.7 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 178.2 | -178.2 | 64.6 | 0 | 0 | 0 | 111.4 | L135 Q136 N137 S143 | L135-L139 VanDerWaalsContact O-CB 3.3Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 PolarHBondContact O-N 2.89Å; Q136-L139 PolarHBondContact O-N 2.91Å; N137-L139 VanDerWaalsContact C-N 3.34Å; N137-L139 PolarHBondContact O-N 2.92Å; L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 3.08Å |
| 140 | K | 98.1 | Very high | 98.1 | Very high | 128 Ų | 128 | 108.8 Ų | 108.8 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -47.7 | 176.6 | -173.1 | -177.8 | 175 | -170.9 | 0 | 111.3 | Q136 N137 R138 S143 E144 | Q136-K140 WeakPolarHBondContact O-CB 3.3Å; Q136-K140 PolarHBondContact O-N 3.19Å; N137-K140 WeakPolarHBondContact O-CB 3.37Å; N137-K140 PolarHBondContact O-N 3.38Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 2.91Å; K140-S143 PolarHBondContact O-N 2.86Å; K140-E144 WeakPolarHBondContact CE-OE1 3.34Å; K140-E144 WeakPolarHBondContact O-CB 3.27Å; K140-E144 WeakPolarHBondContact O-CG 3.41Å; K140-E144 PolarHBondContact O-N 3.03Å |
| 141 | E | 98.1 | Very high | 98.1 | Very high | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60 | -49 | 177.8 | -72.6 | 169.1 | -169.7 | 0 | 0 | 111.8 | N137 R138 S143 E144 K145 | N137-E141 WeakPolarHBondContact O-CG 3.39Å; N137-E141 PolarHBondContact O-N 3.45Å; R138-E141 PolarHBondContact O-N 3.31Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 2.91Å; E141-E144 PolarHBondContact O-N 2.95Å; E141-K145 WeakPolarHBondContact O-CB 3.36Å; E141-K145 PolarHBondContact O-N 3.32Å |
| 142 | E | 98.1 | Very high | 98 | Very high | 103 Ų | 103 | 109.5 Ų | 109.5 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 177.4 | -74.7 | -65.4 | 134.1 | 0 | 0 | 111.8 | R138 K145 V146 | R138-E142 WeakPolarHBondContact O-CB 3.19Å; R138-E142 WeakPolarHBondContact O-CG 3.38Å; R138-E142 PolarHBondContact O-N 2.92Å; E142-K145 PolarHBondContact O-N 3.05Å; E142-V146 WeakPolarHBondContact O-CB 3.46Å; E142-V146 VanDerWaalsContact O-CG2 3.27Å; E142-V146 WeakPolarHBondContact O-CG2 3.5Å; E142-V146 PolarHBondContact O-N 3.46Å |
| 143 | S | 98.1 | Very high | 98 | Very high | 77 Ų | 77 | 108.9 Ų | 108.9 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | L139 K140 E141 R147 | L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 3.08Å; K140-S143 PolarHBondContact O-N 2.86Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 2.91Å; S143-R147 VanDerWaalsContact O-CB 3.27Å; S143-R147 WeakPolarHBondContact O-CB 3.31Å; S143-R147 PolarHBondContact O-N 2.86Å |
| 144 | E | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.1 | -75.1 | 179.2 | -178.1 | 0 | 0 | 111.4 | K140 E141 R147 A148 | K140-E144 WeakPolarHBondContact CE-OE1 3.34Å; K140-E144 WeakPolarHBondContact O-CB 3.27Å; K140-E144 WeakPolarHBondContact O-CG 3.41Å; K140-E144 PolarHBondContact O-N 3.03Å; E141-E144 PolarHBondContact O-N 2.95Å; E144-R147 PolarHBondContact O-N 3.11Å; E144-A148 WeakPolarHBondContact O-CB 3.27Å; E144-A148 PolarHBondContact O-N 3.25Å |
| 145 | K | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 107 Ų | 107 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -53.2 | 175.2 | -178 | -177.5 | 170.6 | -167.3 | 0 | 111.8 | E141 E142 R147 A148 E149 | E141-K145 WeakPolarHBondContact O-CB 3.36Å; E141-K145 PolarHBondContact O-N 3.32Å; E142-K145 PolarHBondContact O-N 3.05Å; K145-R147 PolarHBondContact O-N 2.86Å; K145-A148 WeakPolarHBondContact O-CB 3.38Å; K145-A148 PolarHBondContact O-N 3.05Å; K145-E149 WeakPolarHBondContact CE-OE1 3.46Å; K145-E149 HydrophobicContact CG-CG 4.49Å; K145-E149 WeakPolarHBondContact O-CG 3.43Å; K145-E149 PolarHBondContact O-N 3.28Å |
| 146 | V | 98.3 | Very high | 98 | Very high | 74 Ų | 74 | 106.7 Ų | 106.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 177.3 | 169 | 0 | 0 | 0 | 0 | 111 | E142 T150 | E142-V146 WeakPolarHBondContact O-CB 3.46Å; E142-V146 VanDerWaalsContact O-CG2 3.27Å; E142-V146 WeakPolarHBondContact O-CG2 3.5Å; E142-V146 PolarHBondContact O-N 3.46Å; V146-T150 VanDerWaalsContact O-CB 3.29Å; V146-T150 WeakPolarHBondContact O-CB 3.05Å; V146-T150 PolarHBondContact O-N 2.74Å; V146-T150 PolarHBondContact O-OG1 2.88Å |
| 147 | R | 97.8 | Very high | 97.9 | Very high | 191 Ų | 191 | 107.5 Ų | 107.5 | 72% | 0.721 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 176.1 | -177.9 | 176.3 | -177.5 | -108.4 | 3.1 | 112.2 | S143 E144 K145 K151 | S143-R147 VanDerWaalsContact O-CB 3.27Å; S143-R147 WeakPolarHBondContact O-CB 3.31Å; S143-R147 PolarHBondContact O-N 2.86Å; E144-R147 PolarHBondContact O-N 3.11Å; K145-R147 PolarHBondContact O-N 2.86Å; R147-K151 VanDerWaalsContact O-CB 3.31Å; R147-K151 WeakPolarHBondContact O-CB 3.49Å; R147-K151 PolarHBondContact O-N 2.9Å |
| 148 | A | 97.8 | Very high | 97.9 | Very high | 62 Ų | 62 | 111.2 Ų | 111.2 | 51% | 0.512 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E144 K145 K151 L152 | E144-A148 WeakPolarHBondContact O-CB 3.27Å; E144-A148 PolarHBondContact O-N 3.25Å; K145-A148 WeakPolarHBondContact O-CB 3.38Å; K145-A148 PolarHBondContact O-N 3.05Å; A148-K151 PolarHBondContact O-N 3.28Å; A148-L152 PolarHBondContact O-N 2.87Å |
| 149 | E | 97.8 | Very high | 97.9 | Very high | 91 Ų | 91 | 106.2 Ų | 106.2 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.7 | -52.1 | 175.2 | -72.5 | 175.1 | 176.7 | 0 | 0 | 110.9 | K145 K151 L152 D153 | K145-E149 WeakPolarHBondContact CE-OE1 3.46Å; K145-E149 HydrophobicContact CG-CG 4.49Å; K145-E149 WeakPolarHBondContact O-CG 3.43Å; K145-E149 PolarHBondContact O-N 3.28Å; E149-K151 VanDerWaalsContact C-N 3.28Å; E149-K151 PolarHBondContact O-N 3.36Å; E149-L152 WeakPolarHBondContact O-CA 3.29Å; E149-L152 WeakPolarHBondContact O-CB 3.43Å; E149-L152 PolarHBondContact O-N 3.43Å; E149-D153 PolarHBondContact O-N 2.99Å |
| 150 | T | 97.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 108.3 Ų | 108.3 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | V146 L152 D153 I154 | V146-T150 VanDerWaalsContact O-CB 3.29Å; V146-T150 WeakPolarHBondContact O-CB 3.05Å; V146-T150 PolarHBondContact O-N 2.74Å; V146-T150 PolarHBondContact O-OG1 2.88Å; T150-L152 VanDerWaalsContact C-N 3.35Å; T150-D153 PolarHBondContact O-N 2.93Å; T150-I154 HydrophobicContact CG2-CD1 3.93Å; T150-I154 VanDerWaalsContact O-CG1 3.26Å; T150-I154 WeakPolarHBondContact O-CG1 3.48Å; T150-I154 PolarHBondContact O-N 3.08Å |
| 151 | K | 97.9 | Very high | 97.9 | Very high | 135 Ų | 135 | 106.7 Ų | 106.7 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | 177.3 | -174.1 | 177.7 | 179 | -175.2 | 0 | 111.4 | R147 A148 E149 N155 | R147-K151 VanDerWaalsContact O-CB 3.31Å; R147-K151 WeakPolarHBondContact O-CB 3.49Å; R147-K151 PolarHBondContact O-N 2.9Å; A148-K151 PolarHBondContact O-N 3.28Å; E149-K151 VanDerWaalsContact C-N 3.28Å; E149-K151 PolarHBondContact O-N 3.36Å; K151-N155 WeakPolarHBondContact O-CB 3.45Å; K151-N155 VanDerWaalsContact O-CG 3.22Å; K151-N155 PolarHBondContact O-N 3.22Å; K151-N155 VanDerWaalsContact O-N 3.11Å; K151-N155 PolarHBondContact O-ND2 3.28Å; K151-N155 VanDerWaalsContact O-ND2 3.08Å |
| 152 | L | 97.9 | Very high | 97.9 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.3 | -179.5 | 62.7 | 0 | 0 | 0 | 110.6 | A148 E149 T150 I154 N155 L156 | A148-L152 PolarHBondContact O-N 2.87Å; E149-L152 WeakPolarHBondContact O-CA 3.29Å; E149-L152 WeakPolarHBondContact O-CB 3.43Å; E149-L152 PolarHBondContact O-N 3.43Å; T150-L152 VanDerWaalsContact C-N 3.35Å; L152-I154 PolarHBondContact O-N 2.88Å; L152-N155 WeakPolarHBondContact O-CB 3.4Å; L152-N155 PolarHBondContact O-N 3.02Å; L152-N155 VanDerWaalsContact O-N 3.08Å; L152-L156 HydrophobicContact CD1-CD1 4.31Å; L152-L156 HydrophobicContact CD1-CG 4.25Å; L152-L156 HydrophobicContact CG-CD1 4.05Å; L152-L156 HydrophobicContact CG-CG 4.39Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.33Å |
| 153 | D | 98.1 | Very high | 97.8 | Very high | 97 Ų | 97 | 104.9 Ų | 104.9 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 179.4 | -69.7 | -16.8 | 0 | 0 | 0 | 111.6 | E149 T150 N155 L156 E157 | E149-D153 PolarHBondContact O-N 2.99Å; T150-D153 PolarHBondContact O-N 2.93Å; D153-N155 VanDerWaalsContact C-N 3.29Å; D153-N155 PolarHBondContact O-N 2.87Å; D153-L156 PolarHBondContact O-N 2.73Å; D153-E157 PolarHBondContact O-N 3.35Å |
| 154 | I | 97.5 | Very high | 97.8 | Very high | 90 Ų | 90 | 106.3 Ų | 106.3 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 176.4 | -69.1 | 167.5 | 0 | 0 | 0 | 111.3 | T150 L152 R158 | T150-I154 HydrophobicContact CG2-CD1 3.93Å; T150-I154 VanDerWaalsContact O-CG1 3.26Å; T150-I154 WeakPolarHBondContact O-CG1 3.48Å; T150-I154 PolarHBondContact O-N 3.08Å; L152-I154 PolarHBondContact O-N 2.88Å; I154-R158 WeakPolarHBondContact O-CB 3.39Å; I154-R158 PolarHBondContact O-N 3.42Å |
| 155 | N | 97.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 107 Ų | 107 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 178.8 | -75.6 | -30.8 | 0 | 0 | 0 | 111.8 | K151 L152 D153 R158 S159 | K151-N155 WeakPolarHBondContact O-CB 3.45Å; K151-N155 VanDerWaalsContact O-CG 3.22Å; K151-N155 PolarHBondContact O-N 3.22Å; K151-N155 VanDerWaalsContact O-N 3.11Å; K151-N155 PolarHBondContact O-ND2 3.28Å; K151-N155 VanDerWaalsContact O-ND2 3.08Å; L152-N155 WeakPolarHBondContact O-CB 3.4Å; L152-N155 PolarHBondContact O-N 3.02Å; L152-N155 VanDerWaalsContact O-N 3.08Å; D153-N155 VanDerWaalsContact C-N 3.29Å; D153-N155 PolarHBondContact O-N 2.87Å; N155-R158 PolarHBondContact O-N 3.46Å; N155-S159 PolarHBondContact O-N 3.07Å |
| 156 | L | 97.8 | Very high | 97.8 | Very high | 105 Ų | 105 | 105.8 Ų | 105.8 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 176.4 | -70 | 175.6 | 0 | 0 | 0 | 111.2 | L152 D153 R158 S159 R160 | L152-L156 HydrophobicContact CD1-CD1 4.31Å; L152-L156 HydrophobicContact CD1-CG 4.25Å; L152-L156 HydrophobicContact CG-CD1 4.05Å; L152-L156 HydrophobicContact CG-CG 4.39Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.33Å; D153-L156 PolarHBondContact O-N 2.73Å; L156-R158 PolarHBondContact O-N 2.86Å; L156-S159 PolarHBondContact O-N 2.92Å; L156-R160 WeakPolarHBondContact O-CB 3.2Å; L156-R160 PolarHBondContact O-N 3.2Å |
| 157 | E | 97.4 | Very high | 97.7 | Very high | 140 Ų | 140 | 105.7 Ų | 105.7 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 174.5 | -75.6 | -138.8 | 143.5 | 0 | 0 | 111.6 | D153 S159 R160 T161 | D153-E157 PolarHBondContact O-N 3.35Å; E157-S159 VanDerWaalsContact C-N 3.34Å; E157-S159 PolarHBondContact O-N 3.23Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 2.94Å; E157-T161 PolarHBondContact O-N 3.48Å; E157-T161 PolarHBondContact O-OG1 3.39Å; E157-T161 VanDerWaalsContact O-OG1 3.07Å |
| 158 | R | 97.9 | Very high | 97.7 | Very high | 168 Ų | 168 | 102.3 Ų | 102.3 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 175.7 | -179 | -178.6 | -69.6 | 163.4 | -2.7 | 111.8 | I154 N155 L156 R160 T161 S162 | I154-R158 WeakPolarHBondContact O-CB 3.39Å; I154-R158 PolarHBondContact O-N 3.42Å; N155-R158 PolarHBondContact O-N 3.46Å; L156-R158 PolarHBondContact O-N 2.86Å; R158-R160 VanDerWaalsContact C-N 3.35Å; R158-T161 PolarHBondContact O-N 2.82Å; R158-S162 WeakPolarHBondContact O-CB 3.35Å; R158-S162 PolarHBondContact O-N 3.2Å |
| 159 | S | 97.8 | Very high | 97.7 | Very high | 57 Ų | 57 | 105 Ų | 105 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.1 | -163.1 | 0 | 0 | 0 | 0 | 110.6 | N155 L156 E157 T161 S162 E163 | N155-S159 PolarHBondContact O-N 3.07Å; L156-S159 PolarHBondContact O-N 2.92Å; E157-S159 VanDerWaalsContact C-N 3.34Å; E157-S159 PolarHBondContact O-N 3.23Å; S159-T161 PolarHBondContact O-N 2.95Å; S159-S162 WeakPolarHBondContact O-CB 3.49Å; S159-S162 PolarHBondContact O-N 2.93Å; S159-E163 WeakPolarHBondContact O-CG 3.32Å; S159-E163 PolarHBondContact O-N 3.07Å; S159-E163 PolarHBondContact OG-OE1 3.5Å |
| 160 | R | 98.1 | Very high | 97.7 | Very high | 174 Ų | 174 | 106.6 Ų | 106.6 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 179.1 | -170.4 | -175.7 | -176.2 | 102.7 | 1.8 | 112.4 | L156 E157 R158 S162 E163 M164 | L156-R160 WeakPolarHBondContact O-CB 3.2Å; L156-R160 PolarHBondContact O-N 3.2Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 2.94Å; R158-R160 VanDerWaalsContact C-N 3.35Å; R160-S162 VanDerWaalsContact C-N 3.32Å; R160-S162 PolarHBondContact O-N 3.42Å; R160-E163 PolarHBondContact O-N 2.9Å; R160-M164 HydrophobicContact CG-SD 4.48Å; R160-M164 WeakPolarHBondContact O-CB 3.41Å; R160-M164 WeakPolarHBondContact O-CG 3.45Å; R160-M164 PolarHBondContact O-N 3.46Å |
| 161 | T | 97.8 | Very high | 97.6 | Very high | 94 Ų | 94 | 109 Ų | 109 | 58% | 0.577 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | E157 R158 S159 M164 F165 | E157-T161 PolarHBondContact O-N 3.48Å; E157-T161 PolarHBondContact O-OG1 3.39Å; E157-T161 VanDerWaalsContact O-OG1 3.07Å; R158-T161 PolarHBondContact O-N 2.82Å; S159-T161 PolarHBondContact O-N 2.95Å; T161-M164 PolarHBondContact O-N 3.21Å; T161-F165 WeakPolarHBondContact O-CB 3.43Å; T161-F165 PolarHBondContact O-N 3.43Å |
| 162 | S | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 108.1 Ų | 108.1 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 111.6 | R158 S159 R160 F165 T166 | R158-S162 WeakPolarHBondContact O-CB 3.35Å; R158-S162 PolarHBondContact O-N 3.2Å; S159-S162 WeakPolarHBondContact O-CB 3.49Å; S159-S162 PolarHBondContact O-N 2.93Å; R160-S162 VanDerWaalsContact C-N 3.32Å; R160-S162 PolarHBondContact O-N 3.42Å; S162-F165 PolarHBondContact O-N 3.29Å; S162-T166 WeakPolarHBondContact O-CG2 3.48Å; S162-T166 PolarHBondContact O-N 3.49Å; S162-T166 PolarHBondContact O-OG1 3.39Å |
| 163 | E | 97.5 | Very high | 97.6 | Very high | 122 Ų | 122 | 110.2 Ų | 110.2 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.4 | -46.6 | 176.8 | -75.2 | 170.3 | -155.6 | 0 | 0 | 111.4 | S159 R160 F165 T166 D167 | S159-E163 WeakPolarHBondContact O-CG 3.32Å; S159-E163 PolarHBondContact O-N 3.07Å; S159-E163 PolarHBondContact OG-OE1 3.5Å; R160-E163 PolarHBondContact O-N 2.9Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 2.93Å; E163-T166 WeakPolarHBondContact CA-OG1 3.39Å; E163-T166 PolarHBondContact O-N 3.24Å; E163-T166 PolarHBondContact O-OG1 2.91Å; E163-D167 PolarHBondContact O-N 3Å |
| 164 | M | 97.4 | Very high | 97.6 | Very high | 106 Ų | 106 | 110.1 Ų | 110.1 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 175.5 | -73.6 | -179.5 | 63 | 0 | 0 | 112.3 | R160 T161 D167 Q168 | R160-M164 HydrophobicContact CG-SD 4.48Å; R160-M164 WeakPolarHBondContact O-CB 3.41Å; R160-M164 WeakPolarHBondContact O-CG 3.45Å; R160-M164 PolarHBondContact O-N 3.46Å; T161-M164 PolarHBondContact O-N 3.21Å; M164-D167 PolarHBondContact O-N 3.44Å; M164-Q168 WeakPolarHBondContact O-CG 3.5Å; M164-Q168 PolarHBondContact O-N 3.43Å |
| 165 | F | 97.7 | Very high | 97.6 | Very high | 130 Ų | 130 | 108.5 Ų | 108.5 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 176.7 | -174.6 | -93 | 0 | 0 | 0 | 111.4 | T161 S162 E163 D167 Q168 E169 | T161-F165 WeakPolarHBondContact O-CB 3.43Å; T161-F165 PolarHBondContact O-N 3.43Å; S162-F165 PolarHBondContact O-N 3.29Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 2.93Å; F165-D167 VanDerWaalsContact C-N 3.33Å; F165-D167 PolarHBondContact O-N 2.99Å; F165-Q168 PolarHBondContact O-N 2.97Å; F165-E169 WeakPolarHBondContact O-CB 3Å; F165-E169 PolarHBondContact O-N 3.45Å |
| 166 | T | 97.2 | Very high | 97.5 | Very high | 76 Ų | 76 | 107.9 Ų | 107.9 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 177.1 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | S162 E163 E169 K170 | S162-T166 WeakPolarHBondContact O-CG2 3.48Å; S162-T166 PolarHBondContact O-N 3.49Å; S162-T166 PolarHBondContact O-OG1 3.39Å; E163-T166 WeakPolarHBondContact CA-OG1 3.39Å; E163-T166 PolarHBondContact O-N 3.24Å; E163-T166 PolarHBondContact O-OG1 2.91Å; T166-E169 PolarHBondContact O-N 3.22Å; T166-K170 WeakPolarHBondContact O-CB 3.47Å; T166-K170 PolarHBondContact O-N 2.87Å |
| 167 | D | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 106.7 Ų | 106.7 | 39% | 0.39 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 174.6 | -178.9 | 64.6 | 0 | 0 | 0 | 111.5 | E163 M164 F165 K170 K171 | E163-D167 PolarHBondContact O-N 3Å; M164-D167 PolarHBondContact O-N 3.44Å; F165-D167 VanDerWaalsContact C-N 3.33Å; F165-D167 PolarHBondContact O-N 2.99Å; D167-K170 PolarHBondContact O-N 2.89Å; D167-K171 WeakPolarHBondContact O-CG 3.43Å; D167-K171 PolarHBondContact O-N 2.88Å; D167-K171 IonicContact OD1-NZ 3.65Å; D167-K171 VanDerWaalsContact OD2-CE 3.27Å; D167-K171 WeakPolarHBondContact OD2-CE 3.44Å; D167-K171 IonicContact OD2-NZ 3.01Å; D167-K171 PolarHBondContact OD2-NZ 2.89Å |
| 168 | Q | 97.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 174.4 | -75.5 | -179.2 | -20.3 | 0 | 0 | 112.2 | M164 F165 K170 K171 L172 | M164-Q168 WeakPolarHBondContact O-CG 3.5Å; M164-Q168 PolarHBondContact O-N 3.43Å; F165-Q168 PolarHBondContact O-N 2.97Å; Q168-K170 VanDerWaalsContact C-N 3.33Å; Q168-K170 PolarHBondContact O-N 3.48Å; Q168-K171 PolarHBondContact O-N 3.17Å; Q168-L172 WeakPolarHBondContact O-CB 3.34Å; Q168-L172 PolarHBondContact O-N 3.38Å |
| 169 | E | 97 | Very high | 97.5 | Very high | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 176.1 | -175.7 | 173.6 | -169.3 | 0 | 0 | 111.2 | F165 T166 L172 M173 | F165-E169 WeakPolarHBondContact O-CB 3Å; F165-E169 PolarHBondContact O-N 3.45Å; T166-E169 PolarHBondContact O-N 3.22Å; E169-L172 PolarHBondContact O-N 3.28Å; E169-M173 WeakPolarHBondContact O-CB 3.37Å; E169-M173 PolarHBondContact O-N 2.91Å |
| 170 | K | 97.6 | Very high | 97.4 | Very high | 125 Ų | 125 | 108.4 Ų | 108.4 | 54% | 0.543 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 175.1 | -177.8 | 179.7 | 171.5 | -175.4 | 0 | 112 | T166 D167 Q168 L172 M173 E174 | T166-K170 WeakPolarHBondContact O-CB 3.47Å; T166-K170 PolarHBondContact O-N 2.87Å; D167-K170 PolarHBondContact O-N 2.89Å; Q168-K170 VanDerWaalsContact C-N 3.33Å; Q168-K170 PolarHBondContact O-N 3.48Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.34Å; K170-M173 WeakPolarHBondContact O-CB 3.38Å; K170-M173 PolarHBondContact O-N 3.34Å; K170-E174 WeakPolarHBondContact CE-OE1 3.46Å; K170-E174 IonicContact NZ-OE1 3.68Å; K170-E174 WeakPolarHBondContact O-CG 3.47Å; K170-E174 PolarHBondContact O-N 3.42Å |
| 171 | K | 97.6 | Very high | 97.4 | Very high | 117 Ų | 117 | 106 Ų | 106 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 177 | -74.8 | 170.5 | 177.9 | 161.4 | 0 | 112.1 | D167 Q168 E174 A175 | D167-K171 WeakPolarHBondContact O-CG 3.43Å; D167-K171 PolarHBondContact O-N 2.88Å; D167-K171 IonicContact OD1-NZ 3.65Å; D167-K171 VanDerWaalsContact OD2-CE 3.27Å; D167-K171 WeakPolarHBondContact OD2-CE 3.44Å; D167-K171 IonicContact OD2-NZ 3.01Å; D167-K171 PolarHBondContact OD2-NZ 2.89Å; Q168-K171 PolarHBondContact O-N 3.17Å; K171-E174 PolarHBondContact O-N 2.68Å; K171-A175 WeakPolarHBondContact O-CB 3.47Å; K171-A175 PolarHBondContact O-N 3.29Å |
| 172 | L | 97.8 | Very high | 97.3 | Very high | 118 Ų | 118 | 107.5 Ų | 107.5 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 176.2 | -170 | 152.8 | 0 | 0 | 0 | 110.9 | Q168 E169 K170 A175 T176 | Q168-L172 WeakPolarHBondContact O-CB 3.34Å; Q168-L172 PolarHBondContact O-N 3.38Å; E169-L172 PolarHBondContact O-N 3.28Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.34Å; L172-A175 PolarHBondContact O-N 2.69Å; L172-T176 VanDerWaalsContact O-CB 3.25Å; L172-T176 WeakPolarHBondContact O-CB 3.46Å; L172-T176 PolarHBondContact O-N 3.46Å; L172-T176 PolarHBondContact O-OG1 3.32Å |
| 173 | M | 97.3 | Very high | 97.3 | Very high | 144 Ų | 144 | 109.6 Ų | 109.6 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 175.5 | -177.8 | 174.5 | 167.4 | 0 | 0 | 111.9 | E169 K170 T176 S177 | E169-M173 WeakPolarHBondContact O-CB 3.37Å; E169-M173 PolarHBondContact O-N 2.91Å; K170-M173 WeakPolarHBondContact O-CB 3.38Å; K170-M173 PolarHBondContact O-N 3.34Å; M173-T176 PolarHBondContact O-N 2.98Å; M173-S177 WeakPolarHBondContact O-CB 3.27Å; M173-S177 PolarHBondContact O-N 3.49Å |
| 174 | E | 97.2 | Very high | 97.2 | Very high | 96 Ų | 96 | 105.9 Ų | 105.9 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 175.1 | -72.9 | 172.7 | 180 | 0 | 0 | 111.2 | K170 K171 T176 S177 E178 | K170-E174 WeakPolarHBondContact CE-OE1 3.46Å; K170-E174 IonicContact NZ-OE1 3.68Å; K170-E174 WeakPolarHBondContact O-CG 3.47Å; K170-E174 PolarHBondContact O-N 3.42Å; K171-E174 PolarHBondContact O-N 2.68Å; E174-T176 VanDerWaalsContact C-N 3.28Å; E174-T176 PolarHBondContact O-N 2.97Å; E174-S177 WeakPolarHBondContact O-CB 3.3Å; E174-S177 PolarHBondContact O-N 2.86Å; E174-S177 VanDerWaalsContact O-N 3.13Å; E174-E178 WeakPolarHBondContact O-CG 3.13Å; E174-E178 PolarHBondContact O-N 2.92Å |
| 175 | A | 97.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K171 L172 F179 | K171-A175 WeakPolarHBondContact O-CB 3.47Å; K171-A175 PolarHBondContact O-N 3.29Å; L172-A175 PolarHBondContact O-N 2.69Å; A175-F179 VanDerWaalsContact O-CB 3.3Å; A175-F179 WeakPolarHBondContact O-CB 3.25Å; A175-F179 PolarHBondContact O-N 2.87Å |
| 176 | T | 97.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 103 Ų | 103 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | L172 M173 E174 F179 Y180 | L172-T176 VanDerWaalsContact O-CB 3.25Å; L172-T176 WeakPolarHBondContact O-CB 3.46Å; L172-T176 PolarHBondContact O-N 3.46Å; L172-T176 PolarHBondContact O-OG1 3.32Å; M173-T176 PolarHBondContact O-N 2.98Å; E174-T176 VanDerWaalsContact C-N 3.28Å; E174-T176 PolarHBondContact O-N 2.97Å; T176-F179 WeakPolarHBondContact O-CB 3.49Å; T176-F179 PolarHBondContact O-N 2.96Å; T176-Y180 HydrophobicContact CG2-CD2 3.75Å; T176-Y180 HydrophobicContact CG2-CE2 3.49Å; T176-Y180 VanDerWaalsContact CG2-CE2 3.49Å; T176-Y180 WeakPolarHBondContact O-CD2 3.48Å; T176-Y180 PolarHBondContact O-N 3.13Å |
| 177 | S | 96.9 | Very high | 97.1 | Very high | 80 Ų | 80 | 105.7 Ų | 105.7 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | M173 E174 F179 Y180 H181 | M173-S177 WeakPolarHBondContact O-CB 3.27Å; M173-S177 PolarHBondContact O-N 3.49Å; E174-S177 WeakPolarHBondContact O-CB 3.3Å; E174-S177 PolarHBondContact O-N 2.86Å; E174-S177 VanDerWaalsContact O-N 3.13Å; S177-F179 VanDerWaalsContact C-N 3.32Å; S177-F179 PolarHBondContact O-N 2.91Å; S177-Y180 PolarHBondContact O-N 3.09Å; S177-H181 PolarHBondContact O-N 3.49Å |
| 178 | E | 97.3 | Very high | 97 | Very high | 116 Ų | 116 | 106.5 Ų | 106.5 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 174.8 | -73.6 | -173.7 | -172.2 | 0 | 0 | 112 | E174 H181 K182 | E174-E178 WeakPolarHBondContact O-CG 3.13Å; E174-E178 PolarHBondContact O-N 2.92Å; E178-H181 PolarHBondContact O-N 3.29Å; E178-K182 WeakPolarHBondContact O-CG 3.32Å; E178-K182 PolarHBondContact O-N 3.3Å |
| 179 | F | 97.5 | Very high | 96.9 | Very high | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.601 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 175.8 | 176.7 | -95.8 | 0 | 0 | 0 | 111.6 | A175 T176 S177 K182 K183 | A175-F179 VanDerWaalsContact O-CB 3.3Å; A175-F179 WeakPolarHBondContact O-CB 3.25Å; A175-F179 PolarHBondContact O-N 2.87Å; T176-F179 WeakPolarHBondContact O-CB 3.49Å; T176-F179 PolarHBondContact O-N 2.96Å; S177-F179 VanDerWaalsContact C-N 3.32Å; S177-F179 PolarHBondContact O-N 2.91Å; F179-K182 PolarHBondContact O-N 2.95Å; F179-K183 HydrophobicContact CE1-CD 4.49Å; F179-K183 VanDerWaalsContact O-CB 3.28Å; F179-K183 WeakPolarHBondContact O-CB 3.42Å; F179-K183 PolarHBondContact O-N 2.97Å |
| 180 | Y | 96.8 | Very high | 96.9 | Very high | 148 Ų | 148 | 103.6 Ų | 103.6 | 58% | 0.58 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 176.1 | -82.2 | -68.2 | 0 | 0 | 0 | 112.5 | T176 S177 K183 A184 | T176-Y180 HydrophobicContact CG2-CD2 3.75Å; T176-Y180 HydrophobicContact CG2-CE2 3.49Å; T176-Y180 VanDerWaalsContact CG2-CE2 3.49Å; T176-Y180 WeakPolarHBondContact O-CD2 3.48Å; T176-Y180 PolarHBondContact O-N 3.13Å; S177-Y180 PolarHBondContact O-N 3.09Å; Y180-K183 PolarHBondContact O-N 3.36Å; Y180-A184 PolarHBondContact O-N 2.9Å |
| 181 | H | 96.6 | Very high | 96.8 | Very high | 123 Ų | 123 | 101.9 Ų | 101.9 | 57% | 0.569 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -52.1 | 175.8 | -169.3 | -63 | 0 | 0 | 0 | 111.1 | S177 E178 K183 A184 D185 | S177-H181 PolarHBondContact O-N 3.49Å; E178-H181 PolarHBondContact O-N 3.29Å; H181-K183 VanDerWaalsContact C-N 3.26Å; H181-K183 PolarHBondContact O-N 3.32Å; H181-A184 WeakPolarHBondContact O-CB 3.45Å; H181-A184 PolarHBondContact O-N 3.17Å; H181-A184 VanDerWaalsContact O-N 3.09Å; H181-D185 IonicContact CE1-OD1 2.79Å; H181-D185 IonicContact CE1-OD2 3.95Å; H181-D185 PolarHBondContact CE1-OD2 2.79Å; H181-D185 IonicContact ND1-OD1 3.17Å; H181-D185 IonicContact ND1-OD2 3.97Å; H181-D185 PolarHBondContact ND1-OD2 2.95Å; H181-D185 PolarHBondContact O-N 3.46Å |
| 182 | K | 96.9 | Very high | 96.7 | Very high | 127 Ų | 127 | 101 Ų | 101 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 178.3 | -72.1 | 178 | -175.9 | 169 | 0 | 112.4 | E178 F179 D185 L186 | E178-K182 WeakPolarHBondContact O-CG 3.32Å; E178-K182 PolarHBondContact O-N 3.3Å; F179-K182 PolarHBondContact O-N 2.95Å; K182-D185 PolarHBondContact O-N 3.22Å; K182-L186 WeakPolarHBondContact O-CB 3.28Å; K182-L186 WeakPolarHBondContact O-CG 3.43Å; K182-L186 PolarHBondContact O-N 3.35Å |
| 183 | K | 97 | Very high | 96.7 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.5 | -178.5 | -179.1 | 174.6 | -176.1 | 0 | 111.3 | F179 Y180 H181 L186 E187 | F179-K183 HydrophobicContact CE1-CD 4.49Å; F179-K183 VanDerWaalsContact O-CB 3.28Å; F179-K183 WeakPolarHBondContact O-CB 3.42Å; F179-K183 PolarHBondContact O-N 2.97Å; Y180-K183 PolarHBondContact O-N 3.36Å; H181-K183 VanDerWaalsContact C-N 3.26Å; H181-K183 PolarHBondContact O-N 3.32Å; K183-L186 PolarHBondContact O-N 3.37Å; K183-E187 WeakPolarHBondContact O-CB 3.45Å; K183-E187 PolarHBondContact O-N 3.26Å |
| 184 | A | 96.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 97 Ų | 97 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y180 H181 E187 N188 | Y180-A184 PolarHBondContact O-N 2.9Å; H181-A184 WeakPolarHBondContact O-CB 3.45Å; H181-A184 PolarHBondContact O-N 3.17Å; H181-A184 VanDerWaalsContact O-N 3.09Å; A184-E187 PolarHBondContact O-N 2.94Å; A184-N188 PolarHBondContact O-N 3.5Å; A184-N188 PolarHBondContact O-ND2 3.46Å |
| 185 | D | 96.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 98.3 Ų | 98.3 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 174.3 | -63.6 | -30 | 0 | 0 | 0 | 111 | H181 K182 E187 N188 D189 | H181-D185 IonicContact CE1-OD1 2.79Å; H181-D185 IonicContact CE1-OD2 3.95Å; H181-D185 PolarHBondContact CE1-OD2 2.79Å; H181-D185 IonicContact ND1-OD1 3.17Å; H181-D185 IonicContact ND1-OD2 3.97Å; H181-D185 PolarHBondContact ND1-OD2 2.95Å; H181-D185 PolarHBondContact O-N 3.46Å; K182-D185 PolarHBondContact O-N 3.22Å; D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact O-N 3.4Å; D185-N188 PolarHBondContact O-N 2.99Å; D185-D189 PolarHBondContact O-N 2.95Å |
| 186 | L | 96.5 | Very high | 96.5 | Very high | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -37.1 | 176.1 | -80.5 | 171.7 | 0 | 0 | 0 | 113 | K182 K183 N190 | K182-L186 WeakPolarHBondContact O-CB 3.28Å; K182-L186 WeakPolarHBondContact O-CG 3.43Å; K182-L186 PolarHBondContact O-N 3.35Å; K183-L186 PolarHBondContact O-N 3.37Å; L186-N190 WeakPolarHBondContact O-CB 3.45Å; L186-N190 PolarHBondContact O-N 3.2Å; L186-N190 PolarHBondContact O-ND2 3.33Å |
| 187 | E | 96.3 | Very high | 96.4 | Very high | 132 Ų | 132 | 102.5 Ų | 102.5 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.3 | -40.8 | 177.3 | -170.9 | 171.4 | 177.8 | 0 | 0 | 111.5 | K183 A184 D185 N190 M191 | K183-E187 WeakPolarHBondContact O-CB 3.45Å; K183-E187 PolarHBondContact O-N 3.26Å; A184-E187 PolarHBondContact O-N 2.94Å; D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact O-N 3.4Å; E187-N190 PolarHBondContact O-N 2.91Å; E187-M191 WeakPolarHBondContact O-CB 3.36Å; E187-M191 PolarHBondContact O-N 3.47Å |
| 188 | N | 96.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 103.7 Ų | 103.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 173.7 | -74.3 | -31.9 | 0 | 0 | 0 | 111.9 | A184 D185 N190 M191 E192 | A184-N188 PolarHBondContact O-N 3.5Å; A184-N188 PolarHBondContact O-ND2 3.46Å; D185-N188 PolarHBondContact O-N 2.99Å; N188-N190 PolarHBondContact O-N 2.97Å; N188-M191 WeakPolarHBondContact O-CB 3.35Å; N188-M191 PolarHBondContact O-N 2.82Å; N188-E192 PolarHBondContact O-N 3.49Å |
| 189 | D | 96.3 | Very high | 96.3 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177 | -74.1 | -12.6 | 0 | 0 | 0 | 111.2 | D185 M191 E192 I193 | D185-D189 PolarHBondContact O-N 2.95Å; D189-M191 VanDerWaalsContact C-N 3.32Å; D189-M191 PolarHBondContact O-N 3.2Å; D189-E192 PolarHBondContact O-N 2.97Å; D189-I193 WeakPolarHBondContact O-CG1 3.34Å; D189-I193 PolarHBondContact O-N 3.43Å |
| 190 | N | 96.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.3 | -83.2 | -57.6 | 0 | 0 | 0 | 111.9 | L186 E187 N188 E192 I193 N194 | L186-N190 WeakPolarHBondContact O-CB 3.45Å; L186-N190 PolarHBondContact O-N 3.2Å; L186-N190 PolarHBondContact O-ND2 3.33Å; E187-N190 PolarHBondContact O-N 2.91Å; N188-N190 PolarHBondContact O-N 2.97Å; N190-E192 VanDerWaalsContact C-N 3.35Å; N190-I193 PolarHBondContact O-N 2.91Å; N190-N194 WeakPolarHBondContact O-CB 3.41Å; N190-N194 VanDerWaalsContact O-CG 3.27Å; N190-N194 PolarHBondContact O-N 2.9Å; N190-N194 PolarHBondContact O-ND2 3.42Å |
| 191 | M | 95.9 | Very high | 96.2 | Very high | 88 Ų | 88 | 100.9 Ų | 100.9 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.2 | 177.3 | 178.7 | 51.7 | 0 | 0 | 111.5 | E187 N188 D189 N194 K195 | E187-M191 WeakPolarHBondContact O-CB 3.36Å; E187-M191 PolarHBondContact O-N 3.47Å; N188-M191 WeakPolarHBondContact O-CB 3.35Å; N188-M191 PolarHBondContact O-N 2.82Å; D189-M191 VanDerWaalsContact C-N 3.32Å; D189-M191 PolarHBondContact O-N 3.2Å; M191-N194 PolarHBondContact O-N 2.91Å; M191-K195 HydrophobicContact CG-CD 4.32Å; M191-K195 WeakPolarHBondContact O-CG 3.23Å; M191-K195 PolarHBondContact O-N 2.92Å |
| 192 | E | 95.7 | Very high | 96 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.1 | -168.4 | -174.1 | 149.5 | 0 | 0 | 111.8 | N188 D189 N190 K195 K196 | N188-E192 PolarHBondContact O-N 3.49Å; D189-E192 PolarHBondContact O-N 2.97Å; N190-E192 VanDerWaalsContact C-N 3.35Å; E192-K195 PolarHBondContact O-N 2.88Å; E192-K196 HydrophobicContact CG-CD 4.42Å; E192-K196 WeakPolarHBondContact O-CG 3.49Å; E192-K196 PolarHBondContact O-N 2.94Å; E192-K196 VanDerWaalsContact OE1-CE 3.24Å; E192-K196 WeakPolarHBondContact OE1-CE 3.33Å; E192-K196 IonicContact OE1-NZ 2.63Å; E192-K196 PolarHBondContact OE1-NZ 2.63Å |
| 193 | I | 96.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 94.2 Ų | 94.2 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.1 | -68.9 | 167.8 | 0 | 0 | 0 | 110.5 | D189 N190 K195 K196 M197 | D189-I193 WeakPolarHBondContact O-CG1 3.34Å; D189-I193 PolarHBondContact O-N 3.43Å; N190-I193 PolarHBondContact O-N 2.91Å; I193-K195 PolarHBondContact O-N 3.23Å; I193-K196 PolarHBondContact O-N 2.86Å; I193-M197 WeakPolarHBondContact O-CB 3.46Å; I193-M197 PolarHBondContact O-N 3.04Å |
| 194 | N | 95.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 94.6 Ų | 94.6 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 177.5 | -76.3 | -23.3 | 0 | 0 | 0 | 111.6 | N190 M191 K196 M197 D198 | N190-N194 WeakPolarHBondContact O-CB 3.41Å; N190-N194 VanDerWaalsContact O-CG 3.27Å; N190-N194 PolarHBondContact O-N 2.9Å; N190-N194 PolarHBondContact O-ND2 3.42Å; M191-N194 PolarHBondContact O-N 2.91Å; N194-K196 VanDerWaalsContact C-N 3.35Å; N194-K196 PolarHBondContact O-N 3.43Å; N194-M197 WeakPolarHBondContact O-CB 3.24Å; N194-M197 PolarHBondContact O-N 3.46Å; N194-M197 VanDerWaalsContact OD1-CE 3.23Å; N194-M197 WeakPolarHBondContact OD1-CE 3.35Å; N194-D198 PolarHBondContact O-N 3.33Å |
| 195 | K | 95.9 | Very high | 95.8 | Very high | 122 Ų | 122 | 98.5 Ų | 98.5 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 174.9 | -74.9 | 174.3 | -178.2 | 171.9 | 0 | 112.2 | M191 E192 I193 D198 L199 | M191-K195 HydrophobicContact CG-CD 4.32Å; M191-K195 WeakPolarHBondContact O-CG 3.23Å; M191-K195 PolarHBondContact O-N 2.92Å; E192-K195 PolarHBondContact O-N 2.88Å; I193-K195 PolarHBondContact O-N 3.23Å; K195-D198 PolarHBondContact O-N 3.41Å; K195-L199 WeakPolarHBondContact O-CG 3.49Å; K195-L199 PolarHBondContact O-N 3.22Å |
| 196 | K | 96.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.5 | -78.1 | 171.5 | 170.2 | 165.7 | 0 | 111.6 | E192 I193 N194 L199 Q200 | E192-K196 HydrophobicContact CG-CD 4.42Å; E192-K196 WeakPolarHBondContact O-CG 3.49Å; E192-K196 PolarHBondContact O-N 2.94Å; E192-K196 VanDerWaalsContact OE1-CE 3.24Å; E192-K196 WeakPolarHBondContact OE1-CE 3.33Å; E192-K196 IonicContact OE1-NZ 2.63Å; E192-K196 PolarHBondContact OE1-NZ 2.63Å; I193-K196 PolarHBondContact O-N 2.86Å; N194-K196 VanDerWaalsContact C-N 3.35Å; N194-K196 PolarHBondContact O-N 3.43Å; K196-L199 PolarHBondContact O-N 3.48Å; K196-Q200 WeakPolarHBondContact O-CG 3.48Å; K196-Q200 PolarHBondContact O-N 3.39Å |
| 197 | M | 96 | Very high | 95.5 | Very high | 90 Ų | 90 | 98 Ų | 98 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.4 | 178.1 | 169.3 | 42.6 | 0 | 0 | 111.2 | I193 N194 L199 Q200 V201 | I193-M197 WeakPolarHBondContact O-CB 3.46Å; I193-M197 PolarHBondContact O-N 3.04Å; N194-M197 WeakPolarHBondContact O-CB 3.24Å; N194-M197 PolarHBondContact O-N 3.46Å; N194-M197 VanDerWaalsContact OD1-CE 3.23Å; N194-M197 WeakPolarHBondContact OD1-CE 3.35Å; M197-L199 VanDerWaalsContact C-N 3.34Å; M197-L199 PolarHBondContact O-N 2.9Å; M197-Q200 PolarHBondContact O-N 3.39Å; M197-V201 HydrophobicContact CG-CG2 4.47Å; M197-V201 WeakPolarHBondContact O-CB 3.4Å; M197-V201 VanDerWaalsContact O-CG2 3.29Å; M197-V201 WeakPolarHBondContact O-CG2 3.4Å; M197-V201 PolarHBondContact O-N 3.42Å |
| 198 | D | 95.4 | Very high | 95.4 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 176.7 | -72.2 | -23.6 | 0 | 0 | 0 | 112.1 | N194 K195 V201 A202 | N194-D198 PolarHBondContact O-N 3.33Å; K195-D198 PolarHBondContact O-N 3.41Å; D198-V201 PolarHBondContact O-N 3.38Å; D198-A202 WeakPolarHBondContact O-CB 3.23Å; D198-A202 PolarHBondContact O-N 3.2Å |
| 199 | L | 95.7 | Very high | 95.3 | Very high | 126 Ų | 126 | 98.1 Ų | 98.1 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 174.8 | -73.1 | 173 | 0 | 0 | 0 | 111.9 | K195 K196 M197 A202 S203 | K195-L199 WeakPolarHBondContact O-CG 3.49Å; K195-L199 PolarHBondContact O-N 3.22Å; K196-L199 PolarHBondContact O-N 3.48Å; M197-L199 VanDerWaalsContact C-N 3.34Å; M197-L199 PolarHBondContact O-N 2.9Å; L199-A202 PolarHBondContact O-N 2.92Å; L199-S203 WeakPolarHBondContact O-CB 3.29Å; L199-S203 PolarHBondContact O-N 2.87Å; L199-S203 PolarHBondContact O-OG 3.44Å |
| 200 | Q | 96 | Very high | 95 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 176.3 | -75.4 | -178.9 | -5.8 | 0 | 0 | 111.2 | K196 M197 A202 S203 L204 | K196-Q200 WeakPolarHBondContact O-CG 3.48Å; K196-Q200 PolarHBondContact O-N 3.39Å; M197-Q200 PolarHBondContact O-N 3.39Å; Q200-A202 PolarHBondContact O-N 2.64Å; Q200-S203 WeakPolarHBondContact CA-OG 3.41Å; Q200-S203 PolarHBondContact O-N 3.5Å; Q200-S203 PolarHBondContact O-OG 2.84Å; Q200-L204 WeakPolarHBondContact O-CB 3.46Å; Q200-L204 VanDerWaalsContact O-CG 3.32Å; Q200-L204 WeakPolarHBondContact O-CG 3.38Å; Q200-L204 PolarHBondContact O-N 2.97Å |
| 201 | V | 95.9 | Very high | 94.9 | Very high | 89 Ų | 89 | 96.9 Ų | 96.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | M197 D198 L204 K205 | M197-V201 HydrophobicContact CG-CG2 4.47Å; M197-V201 WeakPolarHBondContact O-CB 3.4Å; M197-V201 VanDerWaalsContact O-CG2 3.29Å; M197-V201 WeakPolarHBondContact O-CG2 3.4Å; M197-V201 PolarHBondContact O-N 3.42Å; D198-V201 PolarHBondContact O-N 3.38Å; V201-L204 PolarHBondContact O-N 3.38Å; V201-K205 WeakPolarHBondContact O-CB 3.36Å; V201-K205 PolarHBondContact O-N 3.26Å |
| 202 | A | 93.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D198 L199 Q200 K205 T206 | D198-A202 WeakPolarHBondContact O-CB 3.23Å; D198-A202 PolarHBondContact O-N 3.2Å; L199-A202 PolarHBondContact O-N 2.92Å; Q200-A202 PolarHBondContact O-N 2.64Å; A202-K205 WeakPolarHBondContact O-CB 3.45Å; A202-K205 PolarHBondContact O-N 2.93Å; A202-T206 WeakPolarHBondContact O-CG2 3.32Å; A202-T206 PolarHBondContact O-N 2.84Å |
| 203 | S | 94.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 100.5 Ų | 100.5 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 178.4 | 75.4 | 0 | 0 | 0 | 0 | 112 | L199 Q200 K205 T206 V207 | L199-S203 WeakPolarHBondContact O-CB 3.29Å; L199-S203 PolarHBondContact O-N 2.87Å; L199-S203 PolarHBondContact O-OG 3.44Å; Q200-S203 WeakPolarHBondContact CA-OG 3.41Å; Q200-S203 PolarHBondContact O-N 3.5Å; Q200-S203 PolarHBondContact O-OG 2.84Å; S203-K205 VanDerWaalsContact C-N 3.29Å; S203-K205 PolarHBondContact O-N 3.47Å; S203-T206 PolarHBondContact O-N 3.03Å; S203-T206 VanDerWaalsContact O-N 3.14Å; S203-T206 PolarHBondContact O-OG1 2.75Å; S203-V207 PolarHBondContact O-N 3.14Å |
| 204 | L | 94.8 | Very high | 94.5 | Very high | 119 Ų | 119 | 99.7 Ų | 99.7 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | 176.1 | -74.5 | 173 | 0 | 0 | 0 | 111.1 | Q200 V201 T206 V207 L208 | Q200-L204 WeakPolarHBondContact O-CB 3.46Å; Q200-L204 VanDerWaalsContact O-CG 3.32Å; Q200-L204 WeakPolarHBondContact O-CG 3.38Å; Q200-L204 PolarHBondContact O-N 2.97Å; V201-L204 PolarHBondContact O-N 3.38Å; L204-T206 PolarHBondContact O-N 3.25Å; L204-V207 PolarHBondContact O-N 2.85Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 PolarHBondContact O-N 3.41Å |
| 205 | K | 95.3 | Very high | 94.2 | Very high | 127 Ų | 127 | 99.9 Ų | 99.9 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 174.9 | -173.4 | 177.3 | 177.9 | -176.6 | 0 | 111.8 | V201 A202 S203 L208 E209 | V201-K205 WeakPolarHBondContact O-CB 3.36Å; V201-K205 PolarHBondContact O-N 3.26Å; A202-K205 WeakPolarHBondContact O-CB 3.45Å; A202-K205 PolarHBondContact O-N 2.93Å; S203-K205 VanDerWaalsContact C-N 3.29Å; S203-K205 PolarHBondContact O-N 3.47Å; K205-L208 PolarHBondContact O-N 2.95Å; K205-E209 VanDerWaalsContact CE-OE1 3.23Å; K205-E209 WeakPolarHBondContact CE-OE1 3.4Å; K205-E209 WeakPolarHBondContact O-CB 3.4Å; K205-E209 WeakPolarHBondContact O-CG 3.31Å; K205-E209 PolarHBondContact O-N 3.36Å |
| 206 | T | 93.9 | Very high | 94 | Very high | 86 Ų | 86 | 98.4 Ų | 98.4 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.4 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | A202 S203 L204 L208 E209 S210 | A202-T206 WeakPolarHBondContact O-CG2 3.32Å; A202-T206 PolarHBondContact O-N 2.84Å; S203-T206 PolarHBondContact O-N 3.03Å; S203-T206 VanDerWaalsContact O-N 3.14Å; S203-T206 PolarHBondContact O-OG1 2.75Å; L204-T206 PolarHBondContact O-N 3.25Å; T206-L208 VanDerWaalsContact C-N 3.35Å; T206-E209 PolarHBondContact O-N 2.9Å; T206-S210 PolarHBondContact O-N 2.88Å; T206-S210 PolarHBondContact O-OG 3.24Å |
| 207 | V | 93.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | S203 L204 S210 L211 | S203-V207 PolarHBondContact O-N 3.14Å; L204-V207 PolarHBondContact O-N 2.85Å; V207-S210 WeakPolarHBondContact CA-OG 3.34Å; V207-S210 PolarHBondContact O-N 2.93Å; V207-S210 PolarHBondContact O-OG 3.02Å; V207-L211 HydrophobicContact CG1-CD1 4.01Å; V207-L211 HydrophobicContact CG1-CG 4.41Å; V207-L211 WeakPolarHBondContact O-CB 3.39Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.5Å; V207-L211 PolarHBondContact O-N 3.39Å |
| 208 | L | 93.6 | Very high | 93.3 | Very high | 121 Ų | 121 | 104.8 Ų | 104.8 | 63% | 0.634 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 175.6 | -176.5 | 69.3 | 0 | 0 | 0 | 111.5 | L204 K205 T206 L211 K212 | L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 PolarHBondContact O-N 3.41Å; K205-L208 PolarHBondContact O-N 2.95Å; T206-L208 VanDerWaalsContact C-N 3.35Å; L208-L211 PolarHBondContact O-N 3.4Å; L208-K212 WeakPolarHBondContact O-CB 3.39Å; L208-K212 PolarHBondContact O-N 3.46Å |
| 209 | E | 93.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 104.9 Ų | 104.9 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 177.2 | -75.4 | 176 | -173 | 0 | 0 | 111.6 | K205 T206 K212 L213 | K205-E209 VanDerWaalsContact CE-OE1 3.23Å; K205-E209 WeakPolarHBondContact CE-OE1 3.4Å; K205-E209 WeakPolarHBondContact O-CB 3.4Å; K205-E209 WeakPolarHBondContact O-CG 3.31Å; K205-E209 PolarHBondContact O-N 3.36Å; T206-E209 PolarHBondContact O-N 2.9Å; E209-K212 PolarHBondContact O-N 3.32Å; E209-L213 WeakPolarHBondContact O-CG 3.39Å; E209-L213 PolarHBondContact O-N 2.84Å |
| 210 | S | 91.2 | Very high | 92.6 | Very high | 62 Ų | 62 | 100.8 Ų | 100.8 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.8 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | T206 V207 K212 L213 E214 | T206-S210 PolarHBondContact O-N 2.88Å; T206-S210 PolarHBondContact O-OG 3.24Å; V207-S210 WeakPolarHBondContact CA-OG 3.34Å; V207-S210 PolarHBondContact O-N 2.93Å; V207-S210 PolarHBondContact O-OG 3.02Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.35Å; S210-L213 PolarHBondContact O-N 2.89Å; S210-E214 WeakPolarHBondContact O-CB 3.44Å; S210-E214 PolarHBondContact O-N 3.41Å |
| 211 | L | 93.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 97.5 Ų | 97.5 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.8 | -75.8 | 173.1 | 0 | 0 | 0 | 111.9 | V207 L208 E214 T215 | V207-L211 HydrophobicContact CG1-CD1 4.01Å; V207-L211 HydrophobicContact CG1-CG 4.41Å; V207-L211 WeakPolarHBondContact O-CB 3.39Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.5Å; V207-L211 PolarHBondContact O-N 3.39Å; L208-L211 PolarHBondContact O-N 3.4Å; L211-E214 PolarHBondContact O-N 3.4Å; L211-T215 WeakPolarHBondContact O-CB 3.37Å; L211-T215 PolarHBondContact O-N 2.86Å; L211-T215 PolarHBondContact O-OG1 3.38Å |
| 212 | K | 94.4 | Very high | 91.9 | Very high | 154 Ų | 154 | 96.8 Ų | 96.8 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 173.9 | -175.2 | -178.2 | 177.8 | -178.5 | 0 | 111 | L208 E209 S210 E214 T215 V216 | L208-K212 WeakPolarHBondContact O-CB 3.39Å; L208-K212 PolarHBondContact O-N 3.46Å; E209-K212 PolarHBondContact O-N 3.32Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.35Å; K212-E214 VanDerWaalsContact C-N 3.35Å; K212-T215 PolarHBondContact O-N 2.92Å; K212-V216 VanDerWaalsContact O-CG2 3.3Å; K212-V216 WeakPolarHBondContact O-CG2 3.35Å; K212-V216 PolarHBondContact O-N 2.93Å |
| 213 | L | 91.9 | Very high | 91.7 | Very high | 108 Ų | 108 | 98.9 Ų | 98.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 177 | -71.6 | 174.3 | 0 | 0 | 0 | 112.2 | E209 S210 V216 R217 | E209-L213 WeakPolarHBondContact O-CG 3.39Å; E209-L213 PolarHBondContact O-N 2.84Å; S210-L213 PolarHBondContact O-N 2.89Å; L213-V216 PolarHBondContact O-N 3.5Å; L213-R217 WeakPolarHBondContact O-CG 3.26Å; L213-R217 PolarHBondContact O-N 3Å |
| 214 | E | 92.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -45 | 176.7 | -173.4 | 175.6 | -172.4 | 0 | 0 | 111.3 | S210 L211 K212 V216 R217 Y218 | S210-E214 WeakPolarHBondContact O-CB 3.44Å; S210-E214 PolarHBondContact O-N 3.41Å; L211-E214 PolarHBondContact O-N 3.4Å; K212-E214 VanDerWaalsContact C-N 3.35Å; E214-V216 VanDerWaalsContact C-N 3.34Å; E214-V216 PolarHBondContact O-N 2.97Å; E214-R217 WeakPolarHBondContact O-CB 3.45Å; E214-R217 PolarHBondContact O-N 3.4Å; E214-R217 VanDerWaalsContact O-N 3.13Å; E214-Y218 HydrophobicContact CG-CD2 3.74Å; E214-Y218 HydrophobicContact CG-CE2 3.4Å; E214-Y218 VanDerWaalsContact O-CD2 3.26Å; E214-Y218 WeakPolarHBondContact O-CD2 3.28Å; E214-Y218 PolarHBondContact O-N 2.86Å; E214-Y218 VanDerWaalsContact OE1-CE2 3.28Å; E214-Y218 WeakPolarHBondContact OE1-CE2 3.3Å; E214-Y218 PolarHBondContact OE1-OH 3.44Å |
| 215 | T | 90.8 | Very high | 90.9 | Very high | 84 Ų | 84 | 99.9 Ų | 99.9 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L211 K212 R217 Y218 M219 | L211-T215 WeakPolarHBondContact O-CB 3.37Å; L211-T215 PolarHBondContact O-N 2.86Å; L211-T215 PolarHBondContact O-OG1 3.38Å; K212-T215 PolarHBondContact O-N 2.92Å; T215-R217 VanDerWaalsContact C-N 3.32Å; T215-R217 PolarHBondContact O-N 3.34Å; T215-Y218 PolarHBondContact O-N 2.91Å; T215-M219 HydrophobicContact CG2-CG 4.48Å; T215-M219 WeakPolarHBondContact O-CB 3.22Å; T215-M219 VanDerWaalsContact O-CG 3.3Å; T215-M219 WeakPolarHBondContact O-CG 3.4Å; T215-M219 PolarHBondContact O-N 3.13Å |
| 216 | V | 90.7 | Very high | 90.3 | Very high | 90 Ų | 90 | 97.5 Ų | 97.5 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | K212 L213 E214 M219 A220 | K212-V216 VanDerWaalsContact O-CG2 3.3Å; K212-V216 WeakPolarHBondContact O-CG2 3.35Å; K212-V216 PolarHBondContact O-N 2.93Å; L213-V216 PolarHBondContact O-N 3.5Å; E214-V216 VanDerWaalsContact C-N 3.34Å; E214-V216 PolarHBondContact O-N 2.97Å; V216-M219 PolarHBondContact O-N 3.43Å; V216-A220 WeakPolarHBondContact O-CB 3.49Å; V216-A220 PolarHBondContact O-N 3.36Å |
| 217 | R | 87.2 | Confident | 89.8 | Confident | 188 Ų | 188 | 97.9 Ų | 97.9 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 175.8 | -73.7 | 174.4 | 178.6 | 175.4 | 0.5 | 112.4 | L213 E214 T215 A220 A221 | L213-R217 WeakPolarHBondContact O-CG 3.26Å; L213-R217 PolarHBondContact O-N 3Å; E214-R217 WeakPolarHBondContact O-CB 3.45Å; E214-R217 PolarHBondContact O-N 3.4Å; E214-R217 VanDerWaalsContact O-N 3.13Å; T215-R217 VanDerWaalsContact C-N 3.32Å; T215-R217 PolarHBondContact O-N 3.34Å; R217-A220 PolarHBondContact O-N 3.31Å; R217-A221 WeakPolarHBondContact O-CB 3.48Å; R217-A221 PolarHBondContact O-N 2.89Å |
| 218 | Y | 91.1 | Very high | 89.3 | Confident | 148 Ų | 148 | 97 Ų | 97 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 175.9 | -80.3 | -63.8 | 0 | 0 | 0 | 111.9 | E214 T215 A220 A221 T222 | E214-Y218 HydrophobicContact CG-CD2 3.74Å; E214-Y218 HydrophobicContact CG-CE2 3.4Å; E214-Y218 VanDerWaalsContact O-CD2 3.26Å; E214-Y218 WeakPolarHBondContact O-CD2 3.28Å; E214-Y218 PolarHBondContact O-N 2.86Å; E214-Y218 VanDerWaalsContact OE1-CE2 3.28Å; E214-Y218 WeakPolarHBondContact OE1-CE2 3.3Å; E214-Y218 PolarHBondContact OE1-OH 3.44Å; T215-Y218 PolarHBondContact O-N 2.91Å; Y218-A220 VanDerWaalsContact C-N 3.34Å; Y218-A220 PolarHBondContact O-N 3.08Å; Y218-A221 PolarHBondContact O-N 3.26Å; Y218-T222 WeakPolarHBondContact O-CG2 3.1Å; Y218-T222 PolarHBondContact O-N 2.89Å; Y218-T222 PolarHBondContact O-OG1 3.3Å |
| 219 | M | 87.7 | Confident | 88.7 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.7 | -75.4 | -63.2 | -67.5 | 0 | 0 | 112.1 | T215 V216 T222 I223 | T215-M219 HydrophobicContact CG2-CG 4.48Å; T215-M219 WeakPolarHBondContact O-CB 3.22Å; T215-M219 VanDerWaalsContact O-CG 3.3Å; T215-M219 WeakPolarHBondContact O-CG 3.4Å; T215-M219 PolarHBondContact O-N 3.13Å; V216-M219 PolarHBondContact O-N 3.43Å; M219-T222 PolarHBondContact O-OG1 3.42Å; M219-I223 WeakPolarHBondContact O-CD1 3.3Å; M219-I223 WeakPolarHBondContact O-CG1 3.42Å; M219-I223 PolarHBondContact O-N 3.46Å; M219-I223 VanDerWaalsContact O-N 3.08Å |
| 220 | A | 89.3 | Confident | 88.2 | Confident | 40 Ų | 40 | 96.2 Ų | 96.2 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V216 R217 Y218 T222 I223 F224 | V216-A220 WeakPolarHBondContact O-CB 3.49Å; V216-A220 PolarHBondContact O-N 3.36Å; R217-A220 PolarHBondContact O-N 3.31Å; Y218-A220 VanDerWaalsContact C-N 3.34Å; Y218-A220 PolarHBondContact O-N 3.08Å; A220-T222 PolarHBondContact O-N 3Å; A220-I223 PolarHBondContact O-N 3.18Å; A220-F224 HydrophobicContact CB-CD2 4.49Å; A220-F224 WeakPolarHBondContact O-CD2 3.32Å; A220-F224 PolarHBondContact O-N 2.92Å |
| 221 | A | 88.5 | Confident | 87.6 | Confident | 58 Ų | 58 | 98.9 Ų | 98.9 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R217 Y218 F224 A225 | R217-A221 WeakPolarHBondContact O-CB 3.48Å; R217-A221 PolarHBondContact O-N 2.89Å; Y218-A221 PolarHBondContact O-N 3.26Å; A221-F224 PolarHBondContact O-N 3.48Å; A221-A225 VanDerWaalsContact O-CB 3.32Å; A221-A225 WeakPolarHBondContact O-CB 3.4Å; A221-A225 PolarHBondContact O-N 3.4Å |
| 222 | T | 88.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 96.5 Ų | 96.5 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 177.1 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | Y218 M219 A220 A225 C226 | Y218-T222 WeakPolarHBondContact O-CG2 3.1Å; Y218-T222 PolarHBondContact O-N 2.89Å; Y218-T222 PolarHBondContact O-OG1 3.3Å; M219-T222 PolarHBondContact O-OG1 3.42Å; A220-T222 PolarHBondContact O-N 3Å; T222-A225 PolarHBondContact O-N 2.82Å; T222-C226 WeakPolarHBondContact O-CB 3.45Å; T222-C226 PolarHBondContact O-N 2.86Å; T222-C226 PolarHBondContact O-SG 3.43Å; T222-C226 VanDerWaalsContact O-SG 3.4Å |
| 223 | I | 89.3 | Confident | 86 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 173.6 | -67.4 | 166.1 | 0 | 0 | 0 | 110.3 | M219 A220 A225 C226 L227 | M219-I223 WeakPolarHBondContact O-CD1 3.3Å; M219-I223 WeakPolarHBondContact O-CG1 3.42Å; M219-I223 PolarHBondContact O-N 3.46Å; M219-I223 VanDerWaalsContact O-N 3.08Å; A220-I223 PolarHBondContact O-N 3.18Å; I223-A225 PolarHBondContact O-N 3.45Å; I223-C226 PolarHBondContact O-N 3.38Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.46Å; I223-L227 WeakPolarHBondContact O-CB 3.35Å; I223-L227 VanDerWaalsContact O-CG 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.3Å; I223-L227 PolarHBondContact O-N 2.89Å |
| 224 | F | 87.1 | Confident | 85.3 | Confident | 149 Ų | 149 | 95.7 Ų | 95.7 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 175.6 | -82.9 | -67 | 0 | 0 | 0 | 112.4 | A220 A221 L227 A228 | A220-F224 HydrophobicContact CB-CD2 4.49Å; A220-F224 WeakPolarHBondContact O-CD2 3.32Å; A220-F224 PolarHBondContact O-N 2.92Å; A221-F224 PolarHBondContact O-N 3.48Å; F224-L227 PolarHBondContact O-N 3.28Å; F224-A228 WeakPolarHBondContact O-CB 3.43Å; F224-A228 PolarHBondContact O-N 2.85Å |
| 225 | A | 85 | Confident | 84.1 | Confident | 49 Ų | 49 | 101.6 Ų | 101.6 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A221 T222 I223 A228 I229 | A221-A225 VanDerWaalsContact O-CB 3.32Å; A221-A225 WeakPolarHBondContact O-CB 3.4Å; A221-A225 PolarHBondContact O-N 3.4Å; T222-A225 PolarHBondContact O-N 2.82Å; I223-A225 PolarHBondContact O-N 3.45Å; A225-A228 PolarHBondContact O-N 3.37Å; A225-I229 VanDerWaalsContact O-CG1 3.28Å; A225-I229 WeakPolarHBondContact O-CG1 3.26Å; A225-I229 PolarHBondContact O-N 2.89Å |
| 226 | C | 83 | Confident | 82.9 | Confident | 78 Ų | 78 | 106.9 Ų | 106.9 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.3 | -45.4 | 173.7 | -76.1 | 0 | 0 | 0 | 0 | 111.4 | T222 I223 A228 I229 V230 | T222-C226 WeakPolarHBondContact O-CB 3.45Å; T222-C226 PolarHBondContact O-N 2.86Å; T222-C226 PolarHBondContact O-SG 3.43Å; T222-C226 VanDerWaalsContact O-SG 3.4Å; I223-C226 PolarHBondContact O-N 3.38Å; C226-A228 VanDerWaalsContact C-N 3.34Å; C226-A228 PolarHBondContact O-N 2.85Å; C226-I229 PolarHBondContact O-N 2.88Å; C226-V230 WeakPolarHBondContact O-CB 3.38Å; C226-V230 VanDerWaalsContact O-CG2 3.3Å; C226-V230 WeakPolarHBondContact O-CG2 3.28Å; C226-V230 PolarHBondContact O-N 3.47Å |
| 227 | L | 84.3 | Confident | 81.4 | Confident | 93 Ų | 93 | 113.7 Ų | 113.7 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.7 | -42.1 | 174.5 | -73.3 | 171.9 | 0 | 0 | 0 | 111.7 | I223 F224 V230 L231 | I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.46Å; I223-L227 WeakPolarHBondContact O-CB 3.35Å; I223-L227 VanDerWaalsContact O-CG 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.3Å; I223-L227 PolarHBondContact O-N 2.89Å; F224-L227 PolarHBondContact O-N 3.28Å; L227-V230 PolarHBondContact O-N 3.23Å; L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 VanDerWaalsContact O-CG 3.26Å; L227-L231 WeakPolarHBondContact O-CG 3.28Å; L227-L231 PolarHBondContact O-N 2.87Å |
| 228 | A | 82.4 | Confident | 79.6 | Confident | 60 Ų | 60 | 117.1 Ų | 117.1 | 50% | 0.496 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F224 A225 C226 G232 | F224-A228 WeakPolarHBondContact O-CB 3.43Å; F224-A228 PolarHBondContact O-N 2.85Å; A225-A228 PolarHBondContact O-N 3.37Å; C226-A228 VanDerWaalsContact C-N 3.34Å; C226-A228 PolarHBondContact O-N 2.85Å; A228-G232 PolarHBondContact O-N 3.3Å |
| 229 | I | 82.1 | Confident | 79 | Confident | 113 Ų | 113 | 115.6 Ų | 115.6 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -45.5 | 175 | -65.9 | 163.8 | 0 | 0 | 0 | 110.5 | A225 C226 L231 G232 V233 | A225-I229 VanDerWaalsContact O-CG1 3.28Å; A225-I229 WeakPolarHBondContact O-CG1 3.26Å; A225-I229 PolarHBondContact O-N 2.89Å; C226-I229 PolarHBondContact O-N 2.88Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 3.41Å; I229-G232 CarbonylContact O-C 3.56Å; I229-G232 WeakPolarHBondContact O-CA 3.49Å; I229-G232 PolarHBondContact O-N 2.81Å; I229-G232 VanDerWaalsContact O-N 3.08Å; I229-V233 HydrophobicContact CG2-CG2 4.34Å; I229-V233 WeakPolarHBondContact O-CG2 3.3Å; I229-V233 PolarHBondContact O-N 3.08Å |
| 230 | V | 81.3 | Confident | 78.5 | Confident | 96 Ų | 96 | 115.9 Ų | 115.9 | 58% | 0.582 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.8 | -43.9 | 176.7 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | C226 L227 G232 V233 Y234 | C226-V230 WeakPolarHBondContact O-CB 3.38Å; C226-V230 VanDerWaalsContact O-CG2 3.3Å; C226-V230 WeakPolarHBondContact O-CG2 3.28Å; C226-V230 PolarHBondContact O-N 3.47Å; L227-V230 PolarHBondContact O-N 3.23Å; V230-G232 VanDerWaalsContact C-N 3.32Å; V230-G232 PolarHBondContact O-N 3.03Å; V230-V233 PolarHBondContact O-N 3.44Å; V230-Y234 VanDerWaalsContact O-CB 3.28Å; V230-Y234 WeakPolarHBondContact O-CB 3.43Å; V230-Y234 PolarHBondContact O-N 2.87Å |
| 231 | L | 78.6 | Confident | 77.9 | Confident | 117 Ų | 117 | 120.1 Ų | 120.1 | 61% | 0.613 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.5 | -36.4 | 173.7 | -71.9 | 171.1 | 0 | 0 | 0 | 112.1 | L227 I229 R235 | L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 VanDerWaalsContact O-CG 3.26Å; L227-L231 WeakPolarHBondContact O-CG 3.28Å; L227-L231 PolarHBondContact O-N 2.87Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 3.41Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.49Å |
| 232 | G | 78.3 | Confident | 77.3 | Confident | 41 Ų | 41 | 123.8 Ų | 123.8 | 42% | 0.423 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.6 | -46.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A228 I229 V230 R235 F236 | A228-G232 PolarHBondContact O-N 3.3Å; I229-G232 CarbonylContact O-C 3.56Å; I229-G232 WeakPolarHBondContact O-CA 3.49Å; I229-G232 PolarHBondContact O-N 2.81Å; I229-G232 VanDerWaalsContact O-N 3.08Å; V230-G232 VanDerWaalsContact C-N 3.32Å; V230-G232 PolarHBondContact O-N 3.03Å; G232-R235 PolarHBondContact O-N 3.28Å; G232-F236 PolarHBondContact O-N 3.14Å; G232-F236 VanDerWaalsContact O-N 3.14Å |
| 233 | V | 77.1 | Confident | 76.6 | Confident | 84 Ų | 84 | 126.9 Ų | 126.9 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.8 | -42.4 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | I229 V230 R235 F236 W237 | I229-V233 HydrophobicContact CG2-CG2 4.34Å; I229-V233 WeakPolarHBondContact O-CG2 3.3Å; I229-V233 PolarHBondContact O-N 3.08Å; V230-V233 PolarHBondContact O-N 3.44Å; V233-R235 PolarHBondContact O-N 3.24Å; V233-F236 PolarHBondContact O-N 3.18Å; V233-F236 VanDerWaalsContact O-N 3.1Å; V233-W237 PolarHBondContact O-N 3.1Å |
| 234 | Y | 75.4 | Confident | 75.7 | Confident | 160 Ų | 160 | 129 Ų | 129 | 63% | 0.627 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.3 | -35 | 173.6 | -178.3 | -101.1 | 0 | 0 | 0 | 112 | V230 | V230-Y234 VanDerWaalsContact O-CB 3.28Å; V230-Y234 WeakPolarHBondContact O-CB 3.43Å; V230-Y234 PolarHBondContact O-N 2.87Å |
| 235 | R | 68.1 | Low | 74.9 | Confident | 208 Ų | 208 | 127.6 Ų | 127.6 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.4 | -22.9 | 177.3 | -162.9 | 156.3 | 78.1 | 98.7 | -4.5 | 114.1 | L231 G232 V233 | L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.49Å; G232-R235 PolarHBondContact O-N 3.28Å; V233-R235 PolarHBondContact O-N 3.24Å |
| 236 | F | 65.3 | Low | 74.2 | Confident | 194 Ų | 194 | 133.6 Ų | 133.6 | 85% | 0.851 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85 | -16 | 175.5 | -156.9 | -92.4 | 0 | 0 | 0 | 112.7 | G232 V233 | G232-F236 PolarHBondContact O-N 3.14Å; G232-F236 VanDerWaalsContact O-N 3.14Å; V233-F236 PolarHBondContact O-N 3.18Å; V233-F236 VanDerWaalsContact O-N 3.1Å |
| 237 | W | 60.1 | Low | 73.4 | Confident | 234 Ų | 234 | 138.3 Ų | 138.3 | 89% | 0.886 | 65% | 0.651 | S | S | * | * | trans | -101.5 | 13.9 | 179.3 | -148.3 | -18.4 | 0 | 0 | 0 | 113.8 | V233 | V233-W237 PolarHBondContact O-N 3.1Š| ||
| 238 | R | 48 | Very low | 72.4 | Confident | 259 Ų | 259 | 142.4 Ų | 142.4 | 98% | 0.977 | 67% | 0.666 | S | S | * | * | trans | -115.8 | 0 | 169.9 | -175.6 | 177.9 | -175.2 | 154.5 | 1.9 | 109.5 |
Retrieved 238 of 238 residues in 405.8 ms
(Link to these results)