| 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 | S | 35.4 | Very low | 42.3 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 100% | 1.147 | 82% | 0.815 | S | S | * | * | 0 | 94.5 | 0 | -54.7 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 2 | D | 40.7 | Very low | 42.6 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -90.3 | 114.6 | -162.4 | -53.5 | -64.4 | 0 | 0 | 0 | 111.7 | ||||
| 3 | L | 37.7 | Very low | 42.8 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -164.9 | 135.5 | 164.1 | -93 | 133.3 | 0 | 0 | 0 | 105.6 | ||||
| 4 | C | 37.8 | Very low | 43 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | cis | -146.7 | 158.8 | 1.4 | -165 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | S | 41.1 | Very low | 43 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -124.5 | 144.6 | 172.6 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | N | 41.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | 76.8 | 95.9 | 173.5 | -41 | -64.5 | 0 | 0 | 0 | 116.8 | ||||
| 7 | L | 43.1 | Very low | 43.2 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | trans | -132.2 | 156.3 | 140.4 | -80.1 | 178.6 | 0 | 0 | 0 | 108.6 | ||||
| 8 | P | 48.3 | Very low | 43.3 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -84.6 | 153 | -157.1 | -13 | 30.8 | 0 | 0 | 0 | 115.4 | L10 | P8-L10 PolarHBondContact O-N 3.23Š| ||
| 9 | E | 43.3 | Very low | 43.6 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 10 | -177.4 | -57 | 176.9 | 133.7 | 0 | 0 | 115.3 | ||
| 10 | L | 48.3 | Very low | 43.4 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -13.3 | -167.3 | -86.2 | 162.2 | 0 | 0 | 0 | 115.8 | P8 | P8-L10 PolarHBondContact O-N 3.23Š|
| 11 | E | 47.8 | Very low | 43.5 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -90.3 | -22.7 | 174.6 | -75.6 | -174.5 | 137.9 | 0 | 0 | 113.7 | V13 S14 L15 | E11-V13 VanDerWaalsContact C-N 3.31Å; E11-V13 PolarHBondContact O-N 2.99Å; E11-S14 PolarHBondContact O-N 3.19Å; E11-L15 PolarHBondContact O-N 3.32Å; E11-L15 VanDerWaalsContact O-N 3.14Å |
| 12 | I | 45.6 | Very low | 43.8 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 54% | 0.538 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -64 | -36.3 | -173.5 | -58.5 | 175.1 | 0 | 0 | 0 | 111.5 | L15 L16 | I12-L15 PolarHBondContact O-N 2.9Å; I12-L16 HydrophobicContact CG2-CD1 4.26Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.19Å |
| 13 | V | 45.4 | Very low | 43.9 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -69.4 | -35.7 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | E11 L16 | E11-V13 VanDerWaalsContact C-N 3.31Å; E11-V13 PolarHBondContact O-N 2.99Å; V13-L16 PolarHBondContact O-N 3.25Å |
| 14 | S | 45.6 | Very low | 44.2 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 54% | 0.538 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -66.6 | -44.2 | 174.6 | -64 | 0 | 0 | 0 | 0 | 111.4 | E11 L16 S17 E18 | E11-S14 PolarHBondContact O-N 3.19Å; S14-L16 PolarHBondContact O-N 3.18Å; S14-S17 PolarHBondContact O-N 3.33Å; S14-S17 PolarHBondContact O-OG 3.45Å; S14-E18 PolarHBondContact O-N 3.37Å |
| 15 | L | 42.9 | Very low | 44.4 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 63% | 0.634 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -67.3 | -12.9 | 177.9 | -69.2 | 170 | 0 | 0 | 0 | 114.1 | E11 I12 | E11-L15 PolarHBondContact O-N 3.32Å; E11-L15 VanDerWaalsContact O-N 3.14Å; I12-L15 PolarHBondContact O-N 2.9Å |
| 16 | L | 42 | Very low | 44.3 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8.1 | 170.3 | -71.6 | 169.3 | 0 | 0 | 0 | 113.5 | I12 V13 S14 | I12-L16 HydrophobicContact CG2-CD1 4.26Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.19Å; V13-L16 PolarHBondContact O-N 3.25Å; S14-L16 PolarHBondContact O-N 3.18Å |
| 17 | S | 47.1 | Very low | 44.5 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -19.4 | 175.8 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | S14 | S14-S17 PolarHBondContact O-N 3.33Å; S14-S17 PolarHBondContact O-OG 3.45Å |
| 18 | E | 45.8 | Very low | 44.4 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -84.4 | 125.2 | 176.4 | -164.8 | 162.8 | -139.8 | 0 | 0 | 110.1 | S14 Q20 | S14-E18 PolarHBondContact O-N 3.37Å; E18-Q20 PolarHBondContact O-N 3.22Å |
| 19 | G | 48.3 | Very low | 44.1 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 128.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 20 | Q | 40.7 | Very low | 44.1 | Very low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 128 | -177.9 | -76.4 | -174.8 | -26.5 | 0 | 0 | 112.6 | E18 K22 | E18-Q20 PolarHBondContact O-N 3.22Å; Q20-K22 PolarHBondContact O-N 3Å |
| 21 | P | 44.2 | Very low | 43.7 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 54% | 0.539 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 130.9 | 171.1 | -19.8 | 30.9 | 0 | 0 | 0 | 110.4 | Y23 | P21-Y23 VanDerWaalsContact C-N 3.29Å; P21-Y23 HydrophobicContact CB-CD2 4.19Å; P21-Y23 HydrophobicContact CB-CE2 3.69Å; P21-Y23 HydrophobicContact CG-CE2 3.99Å; P21-Y23 VanDerWaalsContact O-CD2 3.26Å; P21-Y23 WeakPolarHBondContact O-CD2 3.41Å; P21-Y23 PolarHBondContact O-N 3.38Å |
| 22 | K | 42.4 | Very low | 43.6 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | -72.3 | 82.4 | 175 | -72.7 | -172.4 | 175.2 | -174.2 | 0 | 110.6 | Q20 T24 | Q20-K22 PolarHBondContact O-N 3Å; K22-T24 PolarHBondContact O-N 3.2Å; K22-T24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | Y | 43.3 | Very low | 43.5 | Very low | 198 Ų | 198 | 135 Ų | 135 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -71.4 | 101.4 | 171.1 | -65.1 | -74.2 | 0 | 0 | 0 | 110.5 | P21 L25 | P21-Y23 VanDerWaalsContact C-N 3.29Å; P21-Y23 HydrophobicContact CB-CD2 4.19Å; P21-Y23 HydrophobicContact CB-CE2 3.69Å; P21-Y23 HydrophobicContact CG-CE2 3.99Å; P21-Y23 VanDerWaalsContact O-CD2 3.26Å; P21-Y23 WeakPolarHBondContact O-CD2 3.41Å; P21-Y23 PolarHBondContact O-N 3.38Å; Y23-L25 PolarHBondContact O-N 2.72Å | ||
| 24 | T | 44.2 | Very low | 43.7 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -77.6 | 113.2 | 165.4 | 37.3 | 0 | 0 | 0 | 0 | 109.8 | K22 R26 | K22-T24 PolarHBondContact O-N 3.2Å; K22-T24 VanDerWaalsContact O-N 3.15Å; T24-R26 PolarHBondContact O-N 3.25Å; T24-R26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | L | 40.6 | Very low | 43.9 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | trans | -64.6 | 110 | 165.7 | -82.6 | 165.2 | 0 | 0 | 0 | 108.8 | Y23 A27 | Y23-L25 PolarHBondContact O-N 2.72Å; L25-A27 PolarHBondContact O-N 3.43Å | ||
| 26 | R | 39.1 | Very low | 44.1 | Very low | 200 Ų | 200 | 137 Ų | 137 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -70.8 | 114.4 | 164.6 | -77.8 | -171.8 | 175.8 | -175.8 | -1.6 | 108.7 | T24 D28 | T24-R26 PolarHBondContact O-N 3.25Å; T24-R26 VanDerWaalsContact O-N 3.15Å; R26-D28 VanDerWaalsContact CD-OD2 3.29Å; R26-D28 WeakPolarHBondContact CD-OD2 3.3Å; R26-D28 WeakPolarHBondContact CG-OD2 3.45Å; R26-D28 IonicContact NE-OD2 3.69Å | ||
| 27 | A | 46 | Very low | 44.6 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | -79.2 | -6.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L25 T29 V30 | L25-A27 PolarHBondContact O-N 3.43Å; A27-T29 PolarHBondContact O-N 2.98Å; A27-V30 PolarHBondContact O-N 2.93Å | ||
| 28 | D | 42.2 | Very low | 44.9 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 5.9 | -170.4 | -34.4 | -22.6 | 0 | 0 | 0 | 115.9 | R26 | R26-D28 VanDerWaalsContact CD-OD2 3.29Å; R26-D28 WeakPolarHBondContact CD-OD2 3.3Å; R26-D28 WeakPolarHBondContact CG-OD2 3.45Å; R26-D28 IonicContact NE-OD2 3.69Å |
| 29 | T | 42.3 | Very low | 44.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 47.5 | 179.1 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | A27 | A27-T29 PolarHBondContact O-N 2.98Š|
| 30 | V | 41.8 | Very low | 44.7 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -101.9 | 138.1 | 151.7 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | A27 | A27-V30 PolarHBondContact O-N 2.93Š|
| 31 | F | 41.1 | Very low | 44.9 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 91% | 0.908 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.6 | -176 | -85.4 | -106.2 | 0 | 0 | 0 | 111.5 | ||
| 32 | G | 45.6 | Very low | 45 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 33 | Y | 42.9 | Very low | 45.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 60% | 0.6 | 74% | 0.739 | S | S | * | * | trans | -137.3 | 88.7 | 171.6 | -169.1 | -101.6 | 0 | 0 | 0 | 107.4 | S35 W38 | Y33-S35 PolarHBondContact O-N 3.47Å; Y33-W38 HydrophobicContact CD1-CH2 4.39Å; Y33-W38 HydrophobicContact CD1-CZ3 4.49Å | ||
| 34 | D | 49.1 | Very low | 46 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | trans | -80.2 | 53.3 | -167.6 | -54.9 | -43.9 | 0 | 0 | 0 | 112.1 | ||||
| 35 | S | 50.9 | Low | 46.4 | Very low | 54 Ų | 54 | 133.2 Ų | 133.2 | 38% | 0.378 | 71% | 0.714 | S | S | . | * | trans | -141.4 | 114.9 | -178.1 | -59 | 0 | 0 | 0 | 0 | 110.5 | Y33 D37 | Y33-S35 PolarHBondContact O-N 3.47Å; S35-D37 PolarHBondContact O-N 3.2Å | ||
| 36 | D | 46.2 | Very low | 47.2 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -71.8 | 29.1 | -176.3 | -74.9 | -31.8 | 0 | 0 | 0 | 113.8 | W38 H40 | D36-W38 PolarHBondContact O-N 3Å; D36-H40 IonicContact OD1-CE1 3.38Å; D36-H40 PolarHBondContact OD1-CE1 3.46Å; D36-H40 VanDerWaalsContact OD1-CE1 3.29Å; D36-H40 IonicContact OD1-NE2 3.64Å | ||
| 37 | D | 52.1 | Low | 47.6 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -81.1 | 5.8 | -175 | -64 | -42 | 0 | 0 | 0 | 113.4 | S35 | S35-D37 PolarHBondContact O-N 3.2Š| ||
| 38 | W | 55 | Low | 48 | Very low | 194 Ų | 194 | 130.4 Ų | 130.4 | 74% | 0.735 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.4 | 137.9 | 175.3 | -69.6 | -24.4 | 0 | 0 | 0 | 111.9 | Y33 D36 H40 | Y33-W38 HydrophobicContact CD1-CH2 4.39Å; Y33-W38 HydrophobicContact CD1-CZ3 4.49Å; D36-W38 PolarHBondContact O-N 3Å; W38-H40 PolarHBondContact O-N 3.44Å |
| 39 | L | 45.3 | Very low | 48.7 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | trans | -50.7 | 107 | -174.8 | -71.9 | 166.7 | 0 | 0 | 0 | 112.6 | T41 | L39-T41 VanDerWaalsContact C-N 3.27Å; L39-T41 PolarHBondContact O-N 3.2Å; L39-T41 PolarHBondContact O-OG1 3.47Å | ||
| 40 | H | 43.5 | Very low | 49.6 | Very low | 140 Ų | 140 | 130 Ų | 130 | 65% | 0.648 | 71% | 0.706 | S | S | * | * | trans | -61 | 87.8 | 170 | -62.4 | -60.9 | 0 | 0 | 0 | 110.6 | D36 W38 | D36-H40 IonicContact OD1-CE1 3.38Å; D36-H40 PolarHBondContact OD1-CE1 3.46Å; D36-H40 VanDerWaalsContact OD1-CE1 3.29Å; D36-H40 IonicContact OD1-NE2 3.64Å; W38-H40 PolarHBondContact O-N 3.44Å | ||
| 41 | T | 45.6 | Very low | 50.5 | Low | 106 Ų | 106 | 127.6 Ų | 127.6 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | trans | -69.4 | 124.1 | 171.4 | -58 | 0 | 0 | 0 | 0 | 107.4 | L39 L43 | L39-T41 VanDerWaalsContact C-N 3.27Å; L39-T41 PolarHBondContact O-N 3.2Å; L39-T41 PolarHBondContact O-OG1 3.47Å; T41-L43 PolarHBondContact O-N 2.89Å | ||
| 42 | P | 46.3 | Very low | 51.8 | Low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | trans | -66.6 | 100.7 | -176.6 | 25.4 | -33.4 | 0 | 0 | 0 | 110.2 | V44 | P42-V44 PolarHBondContact O-N 3.31Å; P42-V44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | L | 50.6 | Low | 53.2 | Low | 161 Ų | 161 | 121.3 Ų | 121.3 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | trans | -67.7 | 104.9 | 178.4 | -69.4 | 172.6 | 0 | 0 | 0 | 109.6 | T41 | T41-L43 PolarHBondContact O-N 2.89Š| ||
| 44 | V | 54.8 | Low | 54.6 | Low | 85 Ų | 85 | 123.1 Ų | 123.1 | 52% | 0.515 | 68% | 0.676 | S | S | . | * | trans | -62.7 | 131.8 | 172.1 | -179 | 0 | 0 | 0 | 0 | 108.8 | P42 V48 | P42-V44 PolarHBondContact O-N 3.31Å; P42-V44 VanDerWaalsContact O-N 3.08Å; V44-V48 HydrophobicContact CG1-CB 3.7Å; V44-V48 HydrophobicContact CG1-CG1 4.19Å; V44-V48 HydrophobicContact CG1-CG2 3.86Å | ||
| 45 | P | 54.6 | Low | 55.8 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 53% | 0.532 | 67% | 0.666 | S | S | . | * | trans | -56.7 | 140.2 | 180 | -27.3 | 35.2 | 0 | 0 | 0 | 112.5 | E47 V48 | P45-E47 PolarHBondContact O-N 3.41Å; P45-V48 HydrophobicContact CB-CG2 4.33Å; P45-V48 PolarHBondContact O-N 2.74Å | ||
| 46 | P | 56.3 | Low | 57.1 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 92% | 0.922 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -8.4 | -173 | -26.9 | 35.5 | 0 | 0 | 0 | 117 | ||
| 47 | E | 48.2 | Very low | 58.6 | Low | 180 Ų | 180 | 122.3 Ų | 122.3 | 84% | 0.841 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -9.1 | -178.9 | -59.1 | -174.4 | 136.7 | 0 | 0 | 113.2 | P45 V49 | P45-E47 PolarHBondContact O-N 3.41Å; E47-V49 PolarHBondContact O-N 3.07Å |
| 48 | V | 54.1 | Low | 59.8 | Low | 76 Ų | 76 | 120 Ų | 120 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | trans | -77.4 | 94.9 | 177.4 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | V44 P45 L50 | V44-V48 HydrophobicContact CG1-CB 3.7Å; V44-V48 HydrophobicContact CG1-CG1 4.19Å; V44-V48 HydrophobicContact CG1-CG2 3.86Å; P45-V48 HydrophobicContact CB-CG2 4.33Å; P45-V48 PolarHBondContact O-N 2.74Å; V48-L50 HydrophobicContact CG1-CD2 3.75Å; V48-L50 HydrophobicContact CG1-CG 4.02Å; V48-L50 PolarHBondContact O-N 3.32Å | ||
| 49 | V | 56.5 | Low | 61.1 | Low | 137 Ų | 137 | 116 Ų | 116 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | trans | -68.6 | 86.1 | 164.8 | -176 | 0 | 0 | 0 | 0 | 108.3 | E47 G51 | E47-V49 PolarHBondContact O-N 3.07Å; V49-G51 PolarHBondContact O-N 3.14Å | ||
| 50 | L | 61.4 | Low | 62.8 | Low | 103 Ų | 103 | 110.9 Ų | 110.9 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | trans | -60 | 105.3 | 168.4 | -66 | 171.8 | 0 | 0 | 0 | 107.5 | V48 L52 | V48-L50 HydrophobicContact CG1-CD2 3.75Å; V48-L50 HydrophobicContact CG1-CG 4.02Å; V48-L50 PolarHBondContact O-N 3.32Å; L50-L52 HydrophobicContact CB-CD1 4.15Å; L50-L52 HydrophobicContact CB-CG 4.13Å; L50-L52 PolarHBondContact O-N 3.43Å | ||
| 51 | G | 60.4 | Low | 64.6 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 79% | 0.794 | 61% | 0.605 | S | S | * | * | trans | -72.6 | 49.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V49 | V49-G51 PolarHBondContact O-N 3.14Š| ||
| 52 | L | 69.4 | Low | 66.4 | Low | 73 Ų | 73 | 108.8 Ų | 108.8 | 38% | 0.382 | 59% | 0.589 | S | S | . | * | trans | -76.1 | 140.7 | -179.9 | -60.8 | 171.5 | 0 | 0 | 0 | 110.1 | L50 Q56 I57 | L50-L52 HydrophobicContact CB-CD1 4.15Å; L50-L52 HydrophobicContact CB-CG 4.13Å; L50-L52 PolarHBondContact O-N 3.43Å; L52-Q56 HydrophobicContact CB-CB 4.13Å; L52-Q56 HydrophobicContact CD2-CB 4.34Å; L52-I57 HydrophobicContact CB-CD1 4.25Å; L52-I57 HydrophobicContact CB-CG1 3.68Å; L52-I57 HydrophobicContact CD1-CG1 4.31Å | ||
| 53 | T | 73.8 | Confident | 68.1 | Low | 72 Ų | 72 | 110 Ų | 110 | 44% | 0.442 | 58% | 0.579 | S | S | . | * | trans | -69.9 | 160.6 | 170.9 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | E55 Q56 I57 | T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 2.88Å; T53-Q56 WeakPolarHBondContact O-CB 3.3Å; T53-Q56 PolarHBondContact O-N 3.13Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.5Å; T53-Q56 PolarHBondContact OG1-N 3.44Å; T53-Q56 PolarHBondContact OG1-OE1 3.27Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.09Å | ||
| 54 | Y | 71.9 | Confident | 69.6 | Low | 190 Ų | 190 | 108.6 Ų | 108.6 | 75% | 0.745 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.6 | -41.9 | 179.7 | -168.4 | -92.6 | 0 | 0 | 0 | 112.2 | I57 E58 | Y54-I57 PolarHBondContact O-N 2.93Å; Y54-E58 WeakPolarHBondContact O-CB 3.26Å; Y54-E58 PolarHBondContact O-N 3.34Å |
| 55 | E | 75.6 | Confident | 70.8 | Confident | 146 Ų | 146 | 108.4 Ų | 108.4 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63 | -40.3 | 174.4 | -62.7 | 177.8 | 141.9 | 0 | 0 | 112.5 | T53 I57 E58 E59 | T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 2.88Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 3.17Å; E55-E58 PolarHBondContact O-N 3.06Å; E55-E59 WeakPolarHBondContact O-CG 3.41Å; E55-E59 PolarHBondContact O-N 3Å |
| 56 | Q | 77.1 | Confident | 72 | Confident | 94 Ų | 94 | 110.1 Ų | 110.1 | 44% | 0.439 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.1 | -36.9 | 176.3 | -73.6 | 171.8 | -27.4 | 0 | 0 | 112 | L52 T53 T60 | L52-Q56 HydrophobicContact CB-CB 4.13Å; L52-Q56 HydrophobicContact CD2-CB 4.34Å; T53-Q56 WeakPolarHBondContact O-CB 3.3Å; T53-Q56 PolarHBondContact O-N 3.13Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.5Å; T53-Q56 PolarHBondContact OG1-N 3.44Å; T53-Q56 PolarHBondContact OG1-OE1 3.27Å; Q56-T60 WeakPolarHBondContact O-CB 3.36Å; Q56-T60 PolarHBondContact O-N 2.97Å; Q56-T60 PolarHBondContact O-OG1 3.42Å |
| 57 | I | 78.8 | Confident | 73.1 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 173.7 | -63.5 | 169.4 | 0 | 0 | 0 | 109.8 | L52 T53 Y54 E55 T60 F61 | L52-I57 HydrophobicContact CB-CD1 4.25Å; L52-I57 HydrophobicContact CB-CG1 3.68Å; L52-I57 HydrophobicContact CD1-CG1 4.31Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.09Å; Y54-I57 PolarHBondContact O-N 2.93Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 3.17Å; I57-T60 PolarHBondContact O-N 2.99Å; I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.26Å; I57-F61 PolarHBondContact O-N 3.27Å |
| 58 | E | 77.4 | Confident | 74.3 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 179 | -160.1 | -169.1 | 132.4 | 0 | 0 | 112.4 | Y54 E55 F61 K62 | Y54-E58 WeakPolarHBondContact O-CB 3.26Å; Y54-E58 PolarHBondContact O-N 3.34Å; E55-E58 PolarHBondContact O-N 3.06Å; E58-F61 PolarHBondContact O-N 3.42Å; E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.19Å; E58-K62 WeakPolarHBondContact OE1-CE 3.43Å; E58-K62 IonicContact OE1-NZ 3.66Å; E58-K62 PolarHBondContact OE1-NZ 3.33Å |
| 59 | E | 81.1 | Confident | 75.4 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -35.6 | 175.9 | -69 | -54.1 | 133.5 | 0 | 0 | 112.6 | E55 F61 K62 Y63 | E55-E59 WeakPolarHBondContact O-CG 3.41Å; E55-E59 PolarHBondContact O-N 3Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-K62 PolarHBondContact O-N 3.3Å; E59-K62 WeakPolarHBondContact OE1-CD 3.44Å; E59-K62 IonicContact OE1-NZ 2.67Å; E59-K62 PolarHBondContact OE1-NZ 2.76Å; E59-Y63 WeakPolarHBondContact O-CB 3.43Å; E59-Y63 PolarHBondContact O-N 2.9Å |
| 60 | T | 81.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 101.1 Ų | 101.1 | 37% | 0.368 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 172.3 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | Q56 I57 Y63 F64 | Q56-T60 WeakPolarHBondContact O-CB 3.36Å; Q56-T60 PolarHBondContact O-N 2.97Å; Q56-T60 PolarHBondContact O-OG1 3.42Å; I57-T60 PolarHBondContact O-N 2.99Å; T60-Y63 PolarHBondContact O-N 2.68Å; T60-F64 HydrophobicContact CG2-CD2 3.77Å; T60-F64 HydrophobicContact CG2-CE2 3.54Å; T60-F64 WeakPolarHBondContact O-CD2 3.45Å; T60-F64 PolarHBondContact O-N 3.43Å |
| 61 | F | 81.9 | Confident | 76.9 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 175.6 | -174.8 | -114.8 | 0 | 0 | 0 | 112.2 | I57 E58 E59 Y63 F64 L65 | I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.26Å; I57-F61 PolarHBondContact O-N 3.27Å; E58-F61 PolarHBondContact O-N 3.42Å; E59-F61 VanDerWaalsContact C-N 3.33Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-Y63 PolarHBondContact O-N 2.95Å; F61-F64 PolarHBondContact O-N 2.74Å; F61-L65 HydrophobicContact CD1-CD1 3.83Å; F61-L65 HydrophobicContact CE1-CD1 3.51Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 3.95Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.93Å |
| 62 | K | 82.7 | Confident | 77.4 | Confident | 74 Ų | 74 | 98.6 Ų | 98.6 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 170.3 | -72.3 | 166.5 | -171.2 | 163.4 | 0 | 111.8 | E58 E59 L65 L66 | E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.19Å; E58-K62 WeakPolarHBondContact OE1-CE 3.43Å; E58-K62 IonicContact OE1-NZ 3.66Å; E58-K62 PolarHBondContact OE1-NZ 3.33Å; E59-K62 PolarHBondContact O-N 3.3Å; E59-K62 WeakPolarHBondContact OE1-CD 3.44Å; E59-K62 IonicContact OE1-NZ 2.67Å; E59-K62 PolarHBondContact OE1-NZ 2.76Å; K62-L65 PolarHBondContact O-N 3.08Å; K62-L66 WeakPolarHBondContact O-CB 3.36Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.47Å; K62-L66 PolarHBondContact O-N 3.3Å |
| 63 | Y | 82.8 | Confident | 77.2 | Confident | 143 Ų | 143 | 101.4 Ų | 101.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 176.1 | 177.7 | -97.8 | 0 | 0 | 0 | 112.3 | E59 T60 F61 L66 C67 | E59-Y63 WeakPolarHBondContact O-CB 3.43Å; E59-Y63 PolarHBondContact O-N 2.9Å; T60-Y63 PolarHBondContact O-N 2.68Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-Y63 PolarHBondContact O-N 2.95Å; Y63-L66 PolarHBondContact O-N 3.39Å; Y63-C67 VanDerWaalsContact CZ-SG 3.59Å; Y63-C67 WeakPolarHBondContact O-CB 3.45Å; Y63-C67 PolarHBondContact O-N 2.91Å; Y63-C67 PolarHBondContact O-SG 3.12Å |
| 64 | F | 81.7 | Confident | 76.6 | Confident | 131 Ų | 131 | 101.2 Ų | 101.2 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | 174.3 | -79.2 | -59.9 | 0 | 0 | 0 | 112.6 | T60 F61 C67 S68 | T60-F64 HydrophobicContact CG2-CD2 3.77Å; T60-F64 HydrophobicContact CG2-CE2 3.54Å; T60-F64 WeakPolarHBondContact O-CD2 3.45Å; T60-F64 PolarHBondContact O-N 3.43Å; F61-F64 PolarHBondContact O-N 2.74Å; F64-C67 PolarHBondContact O-N 3.38Å; F64-S68 WeakPolarHBondContact O-CB 3.38Å; F64-S68 PolarHBondContact O-N 2.98Å |
| 65 | L | 79.4 | Confident | 76.1 | Confident | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 171.9 | -79.8 | 171 | 0 | 0 | 0 | 111.7 | F61 K62 C67 S68 D69 | F61-L65 HydrophobicContact CD1-CD1 3.83Å; F61-L65 HydrophobicContact CE1-CD1 3.51Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 3.95Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.93Å; K62-L65 PolarHBondContact O-N 3.08Å; L65-C67 VanDerWaalsContact C-N 3.31Å; L65-C67 PolarHBondContact O-N 3.47Å; L65-S68 CarbonylContact O-C 3.5Å; L65-S68 WeakPolarHBondContact O-CA 3.41Å; L65-S68 WeakPolarHBondContact O-CB 3.46Å; L65-S68 PolarHBondContact O-N 3.35Å; L65-S68 VanDerWaalsContact O-N 3.12Å; L65-D69 WeakPolarHBondContact O-CB 3.24Å; L65-D69 PolarHBondContact O-N 2.84Å |
| 66 | L | 81.6 | Confident | 75.6 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 61% | 0.613 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -34.9 | 176.4 | -74.4 | 166.8 | 0 | 0 | 0 | 112.5 | K62 Y63 R70 | K62-L66 WeakPolarHBondContact O-CB 3.36Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.47Å; K62-L66 PolarHBondContact O-N 3.3Å; Y63-L66 PolarHBondContact O-N 3.39Å; L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 PolarHBondContact O-N 2.87Å |
| 67 | C | 78.2 | Confident | 74.7 | Confident | 26 Ų | 26 | 95.1 Ų | 95.1 | 18% | 0.176 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -68 | -41.5 | 171.4 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | Y63 F64 L65 R70 V71 | Y63-C67 VanDerWaalsContact CZ-SG 3.59Å; Y63-C67 WeakPolarHBondContact O-CB 3.45Å; Y63-C67 PolarHBondContact O-N 2.91Å; Y63-C67 PolarHBondContact O-SG 3.12Å; F64-C67 PolarHBondContact O-N 3.38Å; L65-C67 VanDerWaalsContact C-N 3.31Å; L65-C67 PolarHBondContact O-N 3.47Å; C67-R70 PolarHBondContact O-N 3.16Å; C67-V71 WeakPolarHBondContact O-CB 3.23Å; C67-V71 WeakPolarHBondContact O-CG2 3.22Å; C67-V71 PolarHBondContact O-N 3.27Å |
| 68 | S | 74.6 | Confident | 73.7 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 175.3 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | F64 L65 R70 V71 G72 | F64-S68 WeakPolarHBondContact O-CB 3.38Å; F64-S68 PolarHBondContact O-N 2.98Å; L65-S68 CarbonylContact O-C 3.5Å; L65-S68 WeakPolarHBondContact O-CA 3.41Å; L65-S68 WeakPolarHBondContact O-CB 3.46Å; L65-S68 PolarHBondContact O-N 3.35Å; L65-S68 VanDerWaalsContact O-N 3.12Å; S68-R70 PolarHBondContact O-N 3.47Å; S68-V71 PolarHBondContact O-N 3.45Å; S68-G72 WeakPolarHBondContact O-CA 3.12Å; S68-G72 PolarHBondContact O-N 3.41Å |
| 69 | D | 76.3 | Confident | 73.1 | Confident | 94 Ų | 94 | 101.8 Ų | 101.8 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 175.7 | -82.5 | -22.6 | 0 | 0 | 0 | 112 | L65 G72 Q73 | L65-D69 WeakPolarHBondContact O-CB 3.24Å; L65-D69 PolarHBondContact O-N 2.84Å; D69-G72 CarbonylContact O-C 3.56Å; D69-G72 PolarHBondContact O-N 3.22Å; D69-Q73 WeakPolarHBondContact O-CB 3.38Å; D69-Q73 VanDerWaalsContact O-CG 3.22Å; D69-Q73 WeakPolarHBondContact O-CG 3.45Å; D69-Q73 PolarHBondContact O-N 2.8Å |
| 70 | R | 76.6 | Confident | 73.1 | Confident | 150 Ų | 150 | 100.6 Ų | 100.6 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | 173.8 | -179 | 174.6 | 59.4 | -178.2 | -5.1 | 111.5 | L66 C67 S68 G72 Q73 V74 | L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 PolarHBondContact O-N 2.87Å; C67-R70 PolarHBondContact O-N 3.16Å; S68-R70 PolarHBondContact O-N 3.47Å; R70-G72 VanDerWaalsContact C-N 3.3Å; R70-Q73 PolarHBondContact O-N 2.94Å; R70-V74 WeakPolarHBondContact O-CB 3.41Å; R70-V74 VanDerWaalsContact O-CG2 3.29Å; R70-V74 WeakPolarHBondContact O-CG2 3.39Å; R70-V74 PolarHBondContact O-N 2.81Å |
| 71 | V | 73.4 | Confident | 73 | Confident | 92 Ų | 92 | 103.6 Ų | 103.6 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -37.4 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | C67 S68 V74 T75 | C67-V71 WeakPolarHBondContact O-CB 3.23Å; C67-V71 WeakPolarHBondContact O-CG2 3.22Å; C67-V71 PolarHBondContact O-N 3.27Å; S68-V71 PolarHBondContact O-N 3.45Å; V71-V74 PolarHBondContact O-N 2.8Å; V71-T75 WeakPolarHBondContact O-CB 3.44Å; V71-T75 WeakPolarHBondContact O-CG2 3.15Å; V71-T75 PolarHBondContact O-N 3.41Å; V71-T75 PolarHBondContact O-OG1 3.41Å |
| 72 | G | 69.9 | Low | 73.1 | Confident | 34 Ų | 34 | 105.4 Ų | 105.4 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S68 D69 R70 T75 K76 | S68-G72 WeakPolarHBondContact O-CA 3.12Å; S68-G72 PolarHBondContact O-N 3.41Å; D69-G72 CarbonylContact O-C 3.56Å; D69-G72 PolarHBondContact O-N 3.22Å; R70-G72 VanDerWaalsContact C-N 3.3Å; G72-T75 WeakPolarHBondContact CA-OG1 3.44Å; G72-T75 PolarHBondContact O-OG1 3.18Å; G72-K76 WeakPolarHBondContact O-CB 3.45Å; G72-K76 PolarHBondContact O-N 3.06Å |
| 73 | Q | 65.9 | Low | 73.2 | Confident | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70 | -45.2 | 173.7 | -75.4 | 170.4 | 37.9 | 0 | 0 | 111.5 | D69 R70 K76 T77 | D69-Q73 WeakPolarHBondContact O-CB 3.38Å; D69-Q73 VanDerWaalsContact O-CG 3.22Å; D69-Q73 WeakPolarHBondContact O-CG 3.45Å; D69-Q73 PolarHBondContact O-N 2.8Å; R70-Q73 PolarHBondContact O-N 2.94Å; Q73-K76 CarbonylContact O-C 3.47Å; Q73-K76 PolarHBondContact O-N 2.93Å; Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.92Å |
| 74 | V | 61.8 | Low | 73.4 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 42% | 0.418 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 176.6 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | R70 V71 K76 T77 Y78 | R70-V74 WeakPolarHBondContact O-CB 3.41Å; R70-V74 VanDerWaalsContact O-CG2 3.29Å; R70-V74 WeakPolarHBondContact O-CG2 3.39Å; R70-V74 PolarHBondContact O-N 2.81Å; V71-V74 PolarHBondContact O-N 2.8Å; V74-K76 PolarHBondContact O-N 2.91Å; V74-T77 WeakPolarHBondContact CA-OG1 3.49Å; V74-T77 PolarHBondContact O-N 2.99Å; V74-T77 PolarHBondContact O-OG1 3.44Å; V74-Y78 HydrophobicContact CG1-CD2 4.06Å; V74-Y78 HydrophobicContact CG1-CE2 3.64Å; V74-Y78 WeakPolarHBondContact O-CD2 3.4Å; V74-Y78 PolarHBondContact O-N 3.24Å; V74-Y78 VanDerWaalsContact O-N 3.15Å |
| 75 | T | 61.4 | Low | 73.5 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 173.1 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | V71 G72 T77 Y78 H79 | V71-T75 WeakPolarHBondContact O-CB 3.44Å; V71-T75 WeakPolarHBondContact O-CG2 3.15Å; V71-T75 PolarHBondContact O-N 3.41Å; V71-T75 PolarHBondContact O-OG1 3.41Å; G72-T75 WeakPolarHBondContact CA-OG1 3.44Å; G72-T75 PolarHBondContact O-OG1 3.18Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.29Å; T75-Y78 CarbonylContact O-C 3.6Å; T75-Y78 WeakPolarHBondContact O-CA 3.5Å; T75-Y78 WeakPolarHBondContact O-CB 3.17Å; T75-Y78 PolarHBondContact O-N 3.28Å; T75-H79 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-ND1 3.08Å |
| 76 | K | 63.3 | Low | 74 | Confident | 158 Ų | 158 | 96.8 Ų | 96.8 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -34.3 | 175.7 | -170.8 | 171.3 | -174.6 | 176.1 | 0 | 113 | G72 Q73 V74 Y78 H79 D80 | G72-K76 WeakPolarHBondContact O-CB 3.45Å; G72-K76 PolarHBondContact O-N 3.06Å; Q73-K76 CarbonylContact O-C 3.47Å; Q73-K76 PolarHBondContact O-N 2.93Å; V74-K76 PolarHBondContact O-N 2.91Å; K76-Y78 VanDerWaalsContact C-N 3.3Å; K76-H79 PolarHBondContact O-N 3.46Å; K76-D80 PolarHBondContact O-N 3.48Å |
| 77 | T | 58.9 | Low | 74.5 | Confident | 82 Ų | 82 | 95.9 Ų | 95.9 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -26 | 170.1 | 44 | 0 | 0 | 0 | 0 | 113.3 | Q73 V74 T75 V84 | Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.92Å; V74-T77 WeakPolarHBondContact CA-OG1 3.49Å; V74-T77 PolarHBondContact O-N 2.99Å; V74-T77 PolarHBondContact O-OG1 3.44Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.29Å; T77-V84 WeakPolarHBondContact O-CG2 3.5Å |
| 78 | Y | 57.3 | Low | 75.1 | Confident | 166 Ų | 166 | 99.9 Ų | 99.9 | 65% | 0.651 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -81.4 | -26.6 | 169.4 | -69.2 | -60.4 | 0 | 0 | 0 | 113.7 | V74 T75 K76 V84 | V74-Y78 HydrophobicContact CG1-CD2 4.06Å; V74-Y78 HydrophobicContact CG1-CE2 3.64Å; V74-Y78 WeakPolarHBondContact O-CD2 3.4Å; V74-Y78 PolarHBondContact O-N 3.24Å; V74-Y78 VanDerWaalsContact O-N 3.15Å; T75-Y78 CarbonylContact O-C 3.6Å; T75-Y78 WeakPolarHBondContact O-CA 3.5Å; T75-Y78 WeakPolarHBondContact O-CB 3.17Å; T75-Y78 PolarHBondContact O-N 3.28Å; K76-Y78 VanDerWaalsContact C-N 3.3Å; Y78-V84 HydrophobicContact CD1-CG2 4.41Å |
| 79 | H | 65.6 | Low | 76 | Confident | 151 Ų | 151 | 100.8 Ų | 100.8 | 70% | 0.699 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -82.3 | -25.3 | 176.4 | -73.3 | 66.7 | 0 | 0 | 0 | 112.7 | T75 K76 I81 | T75-H79 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-ND1 3.08Å; K76-H79 PolarHBondContact O-N 3.46Å; H79-I81 VanDerWaalsContact C-N 3.29Å; H79-I81 PolarHBondContact O-N 3.19Å |
| 80 | D | 81.4 | Confident | 76.9 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | trans | -77.9 | 84.3 | 164.7 | -167.6 | -13.1 | 0 | 0 | 0 | 109.9 | K76 K82 A83 V84 | K76-D80 PolarHBondContact O-N 3.48Å; D80-K82 PolarHBondContact O-N 3.01Å; D80-K82 WeakPolarHBondContact OD1-CB 3.19Å; D80-K82 PolarHBondContact OD1-N 2.97Å; D80-K82 VanDerWaalsContact OD1-N 3.11Å; D80-A83 HydrophobicContact CB-CB 4.08Å; D80-A83 WeakPolarHBondContact O-CB 3.38Å; D80-A83 PolarHBondContact O-N 3.05Å; D80-A83 PolarHBondContact OD1-N 3.01Å; D80-V84 PolarHBondContact O-N 3.01Å | ||
| 81 | I | 79.4 | Confident | 77.8 | Confident | 124 Ų | 124 | 97.6 Ų | 97.6 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -50.4 | -31.6 | 178.6 | -60.7 | 172.4 | 0 | 0 | 0 | 111.4 | H79 V84 T85 | H79-I81 VanDerWaalsContact C-N 3.29Å; H79-I81 PolarHBondContact O-N 3.19Å; I81-V84 PolarHBondContact O-N 3.05Å; I81-T85 HydrophobicContact CG2-CG2 4.29Å; I81-T85 WeakPolarHBondContact O-CG2 3.33Å; I81-T85 PolarHBondContact O-N 3.11Å; I81-T85 PolarHBondContact O-OG1 3.07Å |
| 82 | K | 83.8 | Confident | 78.8 | Confident | 167 Ų | 167 | 99 Ų | 99 | 73% | 0.726 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.8 | -32.8 | -179.6 | -60.5 | -177.7 | 177.8 | -177.1 | 0 | 112.8 | D80 T85 H86 | D80-K82 PolarHBondContact O-N 3.01Å; D80-K82 WeakPolarHBondContact OD1-CB 3.19Å; D80-K82 PolarHBondContact OD1-N 2.97Å; D80-K82 VanDerWaalsContact OD1-N 3.11Å; K82-T85 PolarHBondContact O-OG1 3.36Å; K82-H86 WeakPolarHBondContact O-CB 3.23Å; K82-H86 PolarHBondContact O-N 3.42Å; K82-H86 VanDerWaalsContact O-N 3.09Å |
| 83 | A | 84.9 | Confident | 80 | Confident | 43 Ų | 43 | 103.2 Ų | 103.2 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69 | -39.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D80 L87 | D80-A83 HydrophobicContact CB-CB 4.08Å; D80-A83 WeakPolarHBondContact O-CB 3.38Å; D80-A83 PolarHBondContact O-N 3.05Å; D80-A83 PolarHBondContact OD1-N 3.01Å; A83-L87 WeakPolarHBondContact O-CB 3.32Å; A83-L87 PolarHBondContact O-N 2.85Å; A83-L87 VanDerWaalsContact O-N 3.1Å |
| 84 | V | 85.8 | Confident | 81.6 | Confident | 43 Ų | 43 | 100.2 Ų | 100.2 | 26% | 0.261 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 175.2 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | T77 Y78 D80 I81 L87 L88 | T77-V84 WeakPolarHBondContact O-CG2 3.5Å; Y78-V84 HydrophobicContact CD1-CG2 4.41Å; D80-V84 PolarHBondContact O-N 3.01Å; I81-V84 PolarHBondContact O-N 3.05Å; V84-L87 PolarHBondContact O-N 2.82Å; V84-L88 HydrophobicContact CG1-CD1 4.05Å; V84-L88 HydrophobicContact CG1-CG 4.49Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 2.96Å |
| 85 | T | 83.8 | Confident | 83.2 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | I81 K82 L87 L88 E89 | I81-T85 HydrophobicContact CG2-CG2 4.29Å; I81-T85 WeakPolarHBondContact O-CG2 3.33Å; I81-T85 PolarHBondContact O-N 3.11Å; I81-T85 PolarHBondContact O-OG1 3.07Å; K82-T85 PolarHBondContact O-OG1 3.36Å; T85-L87 VanDerWaalsContact C-N 3.29Å; T85-L87 PolarHBondContact O-N 3.46Å; T85-L88 PolarHBondContact O-N 3.28Å; T85-L88 VanDerWaalsContact O-N 3.09Å; T85-E89 WeakPolarHBondContact O-CB 3.46Å; T85-E89 VanDerWaalsContact O-CG 3.27Å; T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.24Å |
| 86 | H | 90.1 | Very high | 84.9 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.8 | -177.3 | -77.6 | 0 | 0 | 0 | 112.3 | K82 L88 E89 E90 | K82-H86 WeakPolarHBondContact O-CB 3.23Å; K82-H86 PolarHBondContact O-N 3.42Å; K82-H86 VanDerWaalsContact O-N 3.09Å; H86-L88 VanDerWaalsContact C-N 3.34Å; H86-E89 PolarHBondContact O-N 2.85Å; H86-E90 IonicContact CE1-OE2 3.15Å; H86-E90 IonicContact ND1-OE2 3.72Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 2.82Å; H86-E90 PolarHBondContact O-N 3.21Å |
| 87 | L | 91.4 | Very high | 86.6 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.1 | -34 | 176.9 | -176.2 | 61.6 | 0 | 0 | 0 | 112.2 | A83 V84 T85 E90 K91 | A83-L87 WeakPolarHBondContact O-CB 3.32Å; A83-L87 PolarHBondContact O-N 2.85Å; A83-L87 VanDerWaalsContact O-N 3.1Å; V84-L87 PolarHBondContact O-N 2.82Å; T85-L87 VanDerWaalsContact C-N 3.29Å; T85-L87 PolarHBondContact O-N 3.46Å; L87-E90 PolarHBondContact O-N 3.15Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.01Å |
| 88 | L | 91.8 | Very high | 88.4 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.1 | -45.9 | 173.4 | -70.4 | 170.6 | 0 | 0 | 0 | 111.7 | V84 T85 H86 E90 K91 E92 | V84-L88 HydrophobicContact CG1-CD1 4.05Å; V84-L88 HydrophobicContact CG1-CG 4.49Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 2.96Å; T85-L88 PolarHBondContact O-N 3.28Å; T85-L88 VanDerWaalsContact O-N 3.09Å; H86-L88 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 3.02Å; L88-K91 PolarHBondContact O-N 3.42Å; L88-K91 VanDerWaalsContact O-N 3.12Å; L88-E92 WeakPolarHBondContact O-CB 3.46Å; L88-E92 PolarHBondContact O-N 2.95Å |
| 89 | E | 93.4 | Very high | 90.3 | Very high | 95 Ų | 95 | 95.5 Ų | 95.5 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.9 | -33.2 | 172.3 | -68.6 | 160.4 | -146 | 0 | 0 | 111.6 | T85 H86 R93 | T85-E89 WeakPolarHBondContact O-CB 3.46Å; T85-E89 VanDerWaalsContact O-CG 3.27Å; T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.24Å; H86-E89 PolarHBondContact O-N 2.85Å; E89-R93 WeakPolarHBondContact O-CG 3.42Å; E89-R93 PolarHBondContact O-N 2.96Å; E89-R93 VanDerWaalsContact O-N 3.13Å; E89-R93 PolarHBondContact O-NE 3.28Å |
| 90 | E | 94.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 34% | 0.341 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.2 | -42 | 174.2 | -171.5 | 164.4 | -165 | 0 | 0 | 112.8 | H86 L87 L88 R93 D94 | H86-E90 IonicContact CE1-OE2 3.15Å; H86-E90 IonicContact ND1-OE2 3.72Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 2.82Å; H86-E90 PolarHBondContact O-N 3.21Å; L87-E90 PolarHBondContact O-N 3.15Å; L88-E90 PolarHBondContact O-N 3.02Å; E90-R93 VanDerWaalsContact CA-NH2 3.34Å; E90-R93 PolarHBondContact O-N 3.47Å; E90-D94 PolarHBondContact O-N 3.01Å |
| 91 | K | 95.7 | Very high | 92.6 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 46% | 0.457 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.7 | -31.3 | 174.3 | -67.2 | -63.6 | 135.8 | -151.5 | 0 | 113.1 | L87 L88 D94 L95 | L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.01Å; L88-K91 PolarHBondContact O-N 3.42Å; L88-K91 VanDerWaalsContact O-N 3.12Å; K91-D94 IonicContact NZ-OD2 3.84Å; K91-D94 PolarHBondContact NZ-OD2 3.37Å; K91-D94 PolarHBondContact O-N 3.44Å; K91-L95 WeakPolarHBondContact O-CB 3.4Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 3.36Å |
| 92 | E | 94.5 | Very high | 93.5 | Very high | 122 Ų | 122 | 91.6 Ų | 91.6 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -48.4 | 171.2 | -175.5 | 168.7 | -147.9 | 0 | 0 | 110.6 | L88 D94 L95 E96 | L88-E92 WeakPolarHBondContact O-CB 3.46Å; L88-E92 PolarHBondContact O-N 2.95Å; E92-D94 PolarHBondContact O-N 2.75Å; E92-L95 PolarHBondContact O-N 3.34Å; E92-E96 PolarHBondContact O-N 3.12Å |
| 93 | R | 96.4 | Very high | 94.1 | Very high | 121 Ų | 121 | 90.3 Ų | 90.3 | 46% | 0.457 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 173.7 | -76 | -177 | -73.2 | 100.7 | -11.5 | 113.6 | E89 E90 L97 | E89-R93 WeakPolarHBondContact O-CG 3.42Å; E89-R93 PolarHBondContact O-N 2.96Å; E89-R93 VanDerWaalsContact O-N 3.13Å; E89-R93 PolarHBondContact O-NE 3.28Å; E90-R93 VanDerWaalsContact CA-NH2 3.34Å; E90-R93 PolarHBondContact O-N 3.47Å; R93-L97 WeakPolarHBondContact O-CB 3.47Å; R93-L97 PolarHBondContact O-N 3.36Å |
| 94 | D | 97.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 91.9 Ų | 91.9 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.4 | -74.3 | -16.9 | 0 | 0 | 0 | 111.8 | E90 K91 E92 L97 A98 | E90-D94 PolarHBondContact O-N 3.01Å; K91-D94 IonicContact NZ-OD2 3.84Å; K91-D94 PolarHBondContact NZ-OD2 3.37Å; K91-D94 PolarHBondContact O-N 3.44Å; E92-D94 PolarHBondContact O-N 2.75Å; D94-L97 PolarHBondContact O-N 2.81Å; D94-A98 WeakPolarHBondContact O-CB 3.26Å; D94-A98 PolarHBondContact O-N 2.82Å |
| 95 | L | 97.2 | Very high | 95.3 | Very high | 125 Ų | 125 | 94.1 Ų | 94.1 | 65% | 0.654 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 177.6 | -73.1 | 169.1 | 0 | 0 | 0 | 111.7 | K91 E92 A98 A99 | K91-L95 WeakPolarHBondContact O-CB 3.4Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 3.36Å; E92-L95 PolarHBondContact O-N 3.34Å; L95-A98 PolarHBondContact O-N 2.99Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.26Å; L95-A99 PolarHBondContact O-N 3.34Å |
| 96 | E | 96.8 | Very high | 96 | Very high | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 170.2 | -83.5 | -159.6 | -119.5 | 0 | 0 | 111.8 | E92 A99 R100 | E92-E96 PolarHBondContact O-N 3.12Å; E96-A99 PolarHBondContact O-N 3.12Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 VanDerWaalsContact O-CG 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 3.44Å; E96-R100 IonicContact OE2-CZ 3.65Å; E96-R100 IonicContact OE2-NE 3.58Å; E96-R100 IonicContact OE2-NH2 3.73Å; E96-R100 PolarHBondContact OE2-NH2 3.3Å |
| 97 | L | 97.5 | Very high | 96.4 | Very high | 98 Ų | 98 | 97.9 Ų | 97.9 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 179.7 | -177.6 | 61.2 | 0 | 0 | 0 | 111.2 | R93 D94 A99 R100 I101 | R93-L97 WeakPolarHBondContact O-CB 3.47Å; R93-L97 PolarHBondContact O-N 3.36Å; D94-L97 PolarHBondContact O-N 2.81Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.43Å; L97-R100 PolarHBondContact O-N 2.91Å; L97-I101 HydrophobicContact CD1-CD1 4.12Å; L97-I101 HydrophobicContact CD1-CG1 4.41Å; L97-I101 HydrophobicContact CG-CD1 3.94Å; L97-I101 WeakPolarHBondContact O-CB 2.86Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.28Å; L97-I101 PolarHBondContact O-N 3.46Å |
| 98 | A | 98.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 98.1 Ų | 98.1 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | D94 L95 I101 G102 | D94-A98 WeakPolarHBondContact O-CB 3.26Å; D94-A98 PolarHBondContact O-N 2.82Å; L95-A98 PolarHBondContact O-N 2.99Å; A98-I101 PolarHBondContact O-N 2.91Å; A98-G102 PolarHBondContact O-N 3.04Å |
| 99 | A | 97.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L95 E96 L97 G102 Q103 | L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.26Å; L95-A99 PolarHBondContact O-N 3.34Å; E96-A99 PolarHBondContact O-N 3.12Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.43Å; A99-G102 PolarHBondContact O-N 2.88Å; A99-Q103 WeakPolarHBondContact O-CB 3.36Å; A99-Q103 PolarHBondContact O-N 3.2Å |
| 100 | R | 97.5 | Very high | 97.1 | Very high | 152 Ų | 152 | 98.6 Ų | 98.6 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 175.6 | -68.6 | 171.6 | -162.7 | -164.6 | 8 | 112.1 | E96 L97 Q103 S104 | E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 VanDerWaalsContact O-CG 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 3.44Å; E96-R100 IonicContact OE2-CZ 3.65Å; E96-R100 IonicContact OE2-NE 3.58Å; E96-R100 IonicContact OE2-NH2 3.73Å; E96-R100 PolarHBondContact OE2-NH2 3.3Å; L97-R100 PolarHBondContact O-N 2.91Å; R100-Q103 PolarHBondContact O-N 3.12Å; R100-S104 WeakPolarHBondContact O-CB 3.41Å; R100-S104 PolarHBondContact O-N 3.32Å |
| 101 | I | 97.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 101.6 Ų | 101.6 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 174.3 | -69.6 | 167.2 | 0 | 0 | 0 | 110 | L97 A98 Q103 S104 L105 | L97-I101 HydrophobicContact CD1-CD1 4.12Å; L97-I101 HydrophobicContact CD1-CG1 4.41Å; L97-I101 HydrophobicContact CG-CD1 3.94Å; L97-I101 WeakPolarHBondContact O-CB 2.86Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.28Å; L97-I101 PolarHBondContact O-N 3.46Å; A98-I101 PolarHBondContact O-N 2.91Å; I101-Q103 VanDerWaalsContact C-N 3.35Å; I101-Q103 PolarHBondContact O-N 2.97Å; I101-S104 PolarHBondContact O-N 2.92Å; I101-L105 HydrophobicContact CG2-CD1 3.9Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CB 3.41Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.17Å |
| 102 | G | 98.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 100.5 Ų | 100.5 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A98 A99 L105 L106 | A98-G102 PolarHBondContact O-N 3.04Å; A99-G102 PolarHBondContact O-N 2.88Å; G102-L105 PolarHBondContact O-N 2.96Å; G102-L106 VanDerWaalsContact O-CB 3.23Å; G102-L106 WeakPolarHBondContact O-CB 3.37Å; G102-L106 PolarHBondContact O-N 2.8Å |
| 103 | Q | 96.6 | Very high | 97.6 | Very high | 141 Ų | 141 | 98.1 Ų | 98.1 | 66% | 0.659 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | 175.4 | -169.5 | 179.4 | 23.7 | 0 | 0 | 112.3 | A99 R100 I101 L106 K107 | A99-Q103 WeakPolarHBondContact O-CB 3.36Å; A99-Q103 PolarHBondContact O-N 3.2Å; R100-Q103 PolarHBondContact O-N 3.12Å; I101-Q103 VanDerWaalsContact C-N 3.35Å; I101-Q103 PolarHBondContact O-N 2.97Å; Q103-L106 PolarHBondContact O-N 3.42Å; Q103-K107 WeakPolarHBondContact O-CB 3.46Å; Q103-K107 PolarHBondContact O-N 2.92Å |
| 104 | S | 97.7 | Very high | 97.6 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.6 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | R100 I101 K107 Q108 | R100-S104 WeakPolarHBondContact O-CB 3.41Å; R100-S104 PolarHBondContact O-N 3.32Å; I101-S104 PolarHBondContact O-N 2.92Å; S104-K107 PolarHBondContact O-N 2.75Å; S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.24Å |
| 105 | L | 98.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 175.5 | -70.4 | 171.5 | 0 | 0 | 0 | 111.6 | I101 G102 Q108 N109 | I101-L105 HydrophobicContact CG2-CD1 3.9Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CB 3.41Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.17Å; G102-L105 PolarHBondContact O-N 2.96Å; L105-Q108 PolarHBondContact O-N 2.97Å; L105-N109 WeakPolarHBondContact O-CB 3.22Å; L105-N109 PolarHBondContact O-N 3.47Å; L105-N109 PolarHBondContact O-ND2 3.46Å |
| 106 | L | 98.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 97.7 Ų | 97.7 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 176.2 | -173.6 | 151 | 0 | 0 | 0 | 111.1 | G102 Q103 N109 Q110 | G102-L106 VanDerWaalsContact O-CB 3.23Å; G102-L106 WeakPolarHBondContact O-CB 3.37Å; G102-L106 PolarHBondContact O-N 2.8Å; Q103-L106 PolarHBondContact O-N 3.42Å; L106-N109 PolarHBondContact O-N 2.91Å; L106-Q110 HydrophobicContact CD2-CG 4.26Å; L106-Q110 WeakPolarHBondContact O-CG 3.32Å; L106-Q110 PolarHBondContact O-N 3.2Å |
| 107 | K | 97.9 | Very high | 97.7 | Very high | 139 Ų | 139 | 98.7 Ų | 98.7 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 173.5 | -174.5 | -175.7 | 174.9 | -171.7 | 0 | 111.8 | Q103 S104 N109 Q110 E111 | Q103-K107 WeakPolarHBondContact O-CB 3.46Å; Q103-K107 PolarHBondContact O-N 2.92Å; S104-K107 PolarHBondContact O-N 2.75Å; K107-N109 VanDerWaalsContact C-N 3.32Å; K107-N109 PolarHBondContact O-N 3.31Å; K107-Q110 WeakPolarHBondContact O-CB 3.36Å; K107-Q110 PolarHBondContact O-N 3.45Å; K107-E111 PolarHBondContact O-N 2.9Å |
| 108 | Q | 97.9 | Very high | 97.7 | Very high | 105 Ų | 105 | 96.8 Ų | 96.8 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.5 | -175.9 | -179.7 | -9 | 0 | 0 | 111.6 | S104 L105 E111 L112 | S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.24Å; L105-Q108 PolarHBondContact O-N 2.97Å; Q108-E111 PolarHBondContact O-N 3.36Å; Q108-L112 HydrophobicContact CG-CD1 4.28Å; Q108-L112 WeakPolarHBondContact O-CB 3.37Å; Q108-L112 VanDerWaalsContact O-CG 3.31Å; Q108-L112 WeakPolarHBondContact O-CG 3.43Å; Q108-L112 PolarHBondContact O-N 2.94Å |
| 109 | N | 97.1 | Very high | 97.7 | Very high | 95 Ų | 95 | 97.4 Ų | 97.4 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 173.6 | -80.9 | -73.2 | 0 | 0 | 0 | 111.8 | L105 L106 K107 E111 L112 T113 | L105-N109 WeakPolarHBondContact O-CB 3.22Å; L105-N109 PolarHBondContact O-N 3.47Å; L105-N109 PolarHBondContact O-ND2 3.46Å; L106-N109 PolarHBondContact O-N 2.91Å; K107-N109 VanDerWaalsContact C-N 3.32Å; K107-N109 PolarHBondContact O-N 3.31Å; N109-E111 VanDerWaalsContact C-N 3.33Å; N109-E111 PolarHBondContact O-N 3.01Å; N109-L112 CarbonylContact O-C 3.59Å; N109-L112 PolarHBondContact O-N 3.32Å; N109-T113 WeakPolarHBondContact O-CB 3.39Å; N109-T113 PolarHBondContact O-N 2.86Å; N109-T113 PolarHBondContact O-OG1 2.9Å |
| 110 | Q | 97.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 98.8 Ų | 98.8 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -40.5 | 173.8 | -74 | 174.8 | -28.6 | 0 | 0 | 112.5 | L106 K107 T113 S114 | L106-Q110 HydrophobicContact CD2-CG 4.26Å; L106-Q110 WeakPolarHBondContact O-CG 3.32Å; L106-Q110 PolarHBondContact O-N 3.2Å; K107-Q110 WeakPolarHBondContact O-CB 3.36Å; K107-Q110 PolarHBondContact O-N 3.45Å; Q110-T113 PolarHBondContact O-N 3.25Å; Q110-S114 WeakPolarHBondContact O-CB 3.39Å; Q110-S114 PolarHBondContact O-N 3.31Å |
| 111 | E | 97.9 | Very high | 97.7 | Very high | 136 Ų | 136 | 97.6 Ų | 97.6 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -38.9 | 175.5 | -170.4 | 174.7 | 161.6 | 0 | 0 | 111.9 | K107 Q108 N109 R115 | K107-E111 PolarHBondContact O-N 2.9Å; Q108-E111 PolarHBondContact O-N 3.36Å; N109-E111 VanDerWaalsContact C-N 3.33Å; N109-E111 PolarHBondContact O-N 3.01Å; E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.26Å; E111-R115 PolarHBondContact O-N 3.07Å |
| 112 | L | 97.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 98.9 Ų | 98.9 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 173.5 | -71.1 | 170.2 | 0 | 0 | 0 | 112.8 | Q108 N109 R115 N116 | Q108-L112 HydrophobicContact CG-CD1 4.28Å; Q108-L112 WeakPolarHBondContact O-CB 3.37Å; Q108-L112 VanDerWaalsContact O-CG 3.31Å; Q108-L112 WeakPolarHBondContact O-CG 3.43Å; Q108-L112 PolarHBondContact O-N 2.94Å; N109-L112 CarbonylContact O-C 3.59Å; N109-L112 PolarHBondContact O-N 3.32Å; L112-R115 PolarHBondContact O-N 2.93Å; L112-N116 VanDerWaalsContact O-CG 3.31Å; L112-N116 PolarHBondContact O-N 3.35Å; L112-N116 PolarHBondContact O-OD1 2.9Å |
| 113 | T | 97.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 101.2 Ų | 101.2 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 173.9 | -62 | 0 | 0 | 0 | 0 | 110.4 | N109 Q110 R115 N116 E117 | N109-T113 WeakPolarHBondContact O-CB 3.39Å; N109-T113 PolarHBondContact O-N 2.86Å; N109-T113 PolarHBondContact O-OG1 2.9Å; Q110-T113 PolarHBondContact O-N 3.25Å; T113-R115 VanDerWaalsContact C-N 3.29Å; T113-R115 PolarHBondContact O-N 2.88Å; T113-N116 PolarHBondContact O-N 2.96Å; T113-E117 HydrophobicContact CG2-CG 4.47Å; T113-E117 WeakPolarHBondContact O-CG 3.48Å; T113-E117 PolarHBondContact O-N 2.87Å |
| 114 | S | 97.7 | Very high | 97.8 | Very high | 62 Ų | 62 | 99.4 Ų | 99.4 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | Q110 E117 T118 | Q110-S114 WeakPolarHBondContact O-CB 3.39Å; Q110-S114 PolarHBondContact O-N 3.31Å; S114-E117 WeakPolarHBondContact CA-OE2 3.4Å; S114-E117 PolarHBondContact O-N 3.14Å; S114-T118 WeakPolarHBondContact O-CG2 3.36Å; S114-T118 PolarHBondContact O-N 3.19Å; S114-T118 PolarHBondContact O-OG1 3.4Å |
| 115 | R | 98.1 | Very high | 97.8 | Very high | 153 Ų | 153 | 101.2 Ų | 101.2 | 58% | 0.577 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 171.8 | -177 | 176.2 | -179.6 | 76 | 8.2 | 112.1 | E111 L112 T113 T118 L119 | E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.26Å; E111-R115 PolarHBondContact O-N 3.07Å; L112-R115 PolarHBondContact O-N 2.93Å; T113-R115 VanDerWaalsContact C-N 3.29Å; T113-R115 PolarHBondContact O-N 2.88Å; R115-T118 PolarHBondContact O-N 3.13Å; R115-T118 PolarHBondContact O-OG1 3.47Å; R115-L119 HydrophobicContact CG-CD1 4.22Å; R115-L119 WeakPolarHBondContact O-CG 3.41Å; R115-L119 PolarHBondContact O-N 2.96Å; R115-L119 VanDerWaalsContact O-N 3.12Å |
| 116 | N | 97.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.9 | -72.2 | -5.2 | 0 | 0 | 0 | 111.3 | L112 T113 T118 L119 D120 | L112-N116 VanDerWaalsContact O-CG 3.31Å; L112-N116 PolarHBondContact O-N 3.35Å; L112-N116 PolarHBondContact O-OD1 2.9Å; T113-N116 PolarHBondContact O-N 2.96Å; N116-T118 VanDerWaalsContact C-N 3.33Å; N116-T118 PolarHBondContact O-N 3.2Å; N116-L119 CarbonylContact O-C 3.52Å; N116-L119 WeakPolarHBondContact O-CA 3.38Å; N116-L119 WeakPolarHBondContact O-CB 3.3Å; N116-L119 PolarHBondContact O-N 3.5Å; N116-D120 PolarHBondContact O-N 3.24Å |
| 117 | E | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -52.8 | -49.1 | 173.9 | -70.5 | 165.6 | 170 | 0 | 0 | 111 | T113 S114 L119 D120 E121 | T113-E117 HydrophobicContact CG2-CG 4.47Å; T113-E117 WeakPolarHBondContact O-CG 3.48Å; T113-E117 PolarHBondContact O-N 2.87Å; S114-E117 WeakPolarHBondContact CA-OE2 3.4Å; S114-E117 PolarHBondContact O-N 3.14Å; E117-L119 VanDerWaalsContact C-N 3.26Å; E117-L119 PolarHBondContact O-N 2.86Å; E117-D120 PolarHBondContact O-N 3.46Å; E117-E121 WeakPolarHBondContact O-CG 3.38Å; E117-E121 PolarHBondContact O-N 2.86Å |
| 118 | T | 97.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 99.1 Ų | 99.1 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -20.2 | 176.8 | 62.6 | 0 | 0 | 0 | 0 | 114.8 | S114 R115 N116 Q122 | S114-T118 WeakPolarHBondContact O-CG2 3.36Å; S114-T118 PolarHBondContact O-N 3.19Å; S114-T118 PolarHBondContact O-OG1 3.4Å; R115-T118 PolarHBondContact O-N 3.13Å; R115-T118 PolarHBondContact O-OG1 3.47Å; N116-T118 VanDerWaalsContact C-N 3.33Å; N116-T118 PolarHBondContact O-N 3.2Å; T118-Q122 VanDerWaalsContact O-CG 3.31Å; T118-Q122 WeakPolarHBondContact O-CG 3.48Å; T118-Q122 PolarHBondContact O-N 2.76Å; T118-Q122 PolarHBondContact O-NE2 3.38Å |
| 119 | L | 97.9 | Very high | 97.8 | Very high | 73 Ų | 73 | 99.7 Ų | 99.7 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.5 | -39.4 | 174.7 | -73.6 | 169.9 | 0 | 0 | 0 | 111.1 | R115 N116 E117 Q122 L123 | R115-L119 HydrophobicContact CG-CD1 4.22Å; R115-L119 WeakPolarHBondContact O-CG 3.41Å; R115-L119 PolarHBondContact O-N 2.96Å; R115-L119 VanDerWaalsContact O-N 3.12Å; N116-L119 CarbonylContact O-C 3.52Å; N116-L119 WeakPolarHBondContact O-CA 3.38Å; N116-L119 WeakPolarHBondContact O-CB 3.3Å; N116-L119 PolarHBondContact O-N 3.5Å; E117-L119 VanDerWaalsContact C-N 3.26Å; E117-L119 PolarHBondContact O-N 2.86Å; L119-Q122 PolarHBondContact O-N 2.9Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 3.44Å |
| 120 | D | 97.4 | Very high | 97.8 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 173.3 | -70.9 | -35.6 | 0 | 0 | 0 | 110.8 | N116 E117 Q122 L123 E124 | N116-D120 PolarHBondContact O-N 3.24Å; E117-D120 PolarHBondContact O-N 3.46Å; D120-Q122 PolarHBondContact O-N 3.21Å; D120-L123 WeakPolarHBondContact O-CB 3.38Å; D120-L123 PolarHBondContact O-N 2.71Å; D120-L123 VanDerWaalsContact O-N 3.13Å; D120-E124 PolarHBondContact O-N 3.26Å |
| 121 | E | 97.7 | Very high | 97.8 | Very high | 126 Ų | 126 | 96.1 Ų | 96.1 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.6 | -47.6 | 170.4 | -75.8 | 177.2 | 165.6 | 0 | 0 | 112.2 | E117 L123 E124 I125 | E117-E121 WeakPolarHBondContact O-CG 3.38Å; E117-E121 PolarHBondContact O-N 2.86Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.94Å; E121-E124 PolarHBondContact O-N 3.14Å; E121-I125 VanDerWaalsContact O-CG1 3.29Å; E121-I125 WeakPolarHBondContact O-CG1 3.46Å; E121-I125 PolarHBondContact O-N 3.1Å |
| 122 | Q | 97.8 | Very high | 97.8 | Very high | 117 Ų | 117 | 95.1 Ų | 95.1 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 175.7 | -76 | 167.7 | 57.5 | 0 | 0 | 112.3 | T118 L119 D120 A126 | T118-Q122 VanDerWaalsContact O-CG 3.31Å; T118-Q122 WeakPolarHBondContact O-CG 3.48Å; T118-Q122 PolarHBondContact O-N 2.76Å; T118-Q122 PolarHBondContact O-NE2 3.38Å; L119-Q122 PolarHBondContact O-N 2.9Å; D120-Q122 PolarHBondContact O-N 3.21Å; Q122-A126 WeakPolarHBondContact O-CB 3.27Å; Q122-A126 PolarHBondContact O-N 3.2Å |
| 123 | L | 97.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 95.5 Ų | 95.5 | 45% | 0.445 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 177.9 | -150.1 | 178.3 | 0 | 0 | 0 | 110.9 | L119 D120 E121 A126 K127 | L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 3.44Å; D120-L123 WeakPolarHBondContact O-CB 3.38Å; D120-L123 PolarHBondContact O-N 2.71Å; D120-L123 VanDerWaalsContact O-N 3.13Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.94Å; L123-A126 PolarHBondContact O-N 3.27Å; L123-K127 HydrophobicContact CD2-CD 3.74Å; L123-K127 HydrophobicContact CD2-CG 4Å; L123-K127 WeakPolarHBondContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CG 3.08Å; L123-K127 PolarHBondContact O-N 2.99Å |
| 124 | E | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 174.3 | -63.5 | -45.7 | 130.4 | 0 | 0 | 112.5 | D120 E121 A126 K127 E128 | D120-E124 PolarHBondContact O-N 3.26Å; E121-E124 PolarHBondContact O-N 3.14Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 3.48Å; E124-K127 WeakPolarHBondContact O-CB 3.35Å; E124-K127 PolarHBondContact O-N 3.4Å; E124-K127 IonicContact OE1-NZ 3.78Å; E124-K127 PolarHBondContact OE1-NZ 3.38Å; E124-K127 WeakPolarHBondContact OE2-CD 3.49Å; E124-K127 IonicContact OE2-NZ 2.65Å; E124-K127 PolarHBondContact OE2-NZ 2.76Å; E124-E128 PolarHBondContact O-N 2.67Å |
| 125 | I | 98 | Very high | 97.8 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.5 | -45.7 | 173.5 | -68.4 | 164.1 | 0 | 0 | 0 | 110.6 | E121 K127 E128 E129 | E121-I125 VanDerWaalsContact O-CG1 3.29Å; E121-I125 WeakPolarHBondContact O-CG1 3.46Å; E121-I125 PolarHBondContact O-N 3.1Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.12Å; I125-E128 PolarHBondContact O-N 3Å; I125-E129 PolarHBondContact O-N 3.39Å |
| 126 | A | 97.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q122 L123 E124 I130 | Q122-A126 WeakPolarHBondContact O-CB 3.27Å; Q122-A126 PolarHBondContact O-N 3.2Å; L123-A126 PolarHBondContact O-N 3.27Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 3.48Å; A126-I130 WeakPolarHBondContact O-CB 3.29Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.22Å; A126-I130 PolarHBondContact O-N 3.49Å |
| 127 | K | 98 | Very high | 97.8 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 171.4 | -79.2 | 163.5 | 168.1 | 171.6 | 0 | 111.8 | L123 E124 I125 I130 A131 | L123-K127 HydrophobicContact CD2-CD 3.74Å; L123-K127 HydrophobicContact CD2-CG 4Å; L123-K127 WeakPolarHBondContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CG 3.08Å; L123-K127 PolarHBondContact O-N 2.99Å; E124-K127 WeakPolarHBondContact O-CB 3.35Å; E124-K127 PolarHBondContact O-N 3.4Å; E124-K127 IonicContact OE1-NZ 3.78Å; E124-K127 PolarHBondContact OE1-NZ 3.38Å; E124-K127 WeakPolarHBondContact OE2-CD 3.49Å; E124-K127 IonicContact OE2-NZ 2.65Å; E124-K127 PolarHBondContact OE2-NZ 2.76Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.12Å; K127-I130 PolarHBondContact O-N 3.09Å; K127-A131 WeakPolarHBondContact O-CB 3.49Å; K127-A131 PolarHBondContact O-N 3.27Å |
| 128 | E | 98.1 | Very high | 97.8 | Very high | 142 Ų | 142 | 97.3 Ų | 97.3 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -44 | 177.9 | -173.5 | 166.5 | -151 | 0 | 0 | 111.1 | E124 I125 I130 A131 Q132 | E124-E128 PolarHBondContact O-N 2.67Å; I125-E128 PolarHBondContact O-N 3Å; E128-I130 PolarHBondContact O-N 2.95Å; E128-A131 WeakPolarHBondContact O-CB 3.41Å; E128-A131 PolarHBondContact O-N 2.84Å; E128-A131 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact O-N 3.4Å |
| 129 | E | 98.1 | Very high | 97.7 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -46.5 | 172.4 | -173.9 | -178.1 | -172.1 | 0 | 0 | 111.4 | I125 A131 Q132 L133 | I125-E129 PolarHBondContact O-N 3.39Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 2.8Å; E129-Q132 PolarHBondContact O-N 2.94Å; E129-L133 HydrophobicContact CG-CD1 3.91Å; E129-L133 HydrophobicContact CG-CG 4.33Å; E129-L133 WeakPolarHBondContact O-CB 3.46Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.49Å; E129-L133 PolarHBondContact O-N 3.38Å |
| 130 | I | 98 | Very high | 97.7 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 175.7 | -72.4 | 166.8 | 0 | 0 | 0 | 111.6 | A126 K127 E128 R134 | A126-I130 WeakPolarHBondContact O-CB 3.29Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.22Å; A126-I130 PolarHBondContact O-N 3.49Å; K127-I130 PolarHBondContact O-N 3.09Å; E128-I130 PolarHBondContact O-N 2.95Å; I130-R134 VanDerWaalsContact O-CB 3.3Å; I130-R134 WeakPolarHBondContact O-CB 3.18Å; I130-R134 WeakPolarHBondContact O-CD 3.26Å; I130-R134 WeakPolarHBondContact O-CG 3.47Å; I130-R134 PolarHBondContact O-N 3.46Å |
| 131 | A | 97.7 | Very high | 97.6 | Very high | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K127 E128 E129 R134 H135 | K127-A131 WeakPolarHBondContact O-CB 3.49Å; K127-A131 PolarHBondContact O-N 3.27Å; E128-A131 WeakPolarHBondContact O-CB 3.41Å; E128-A131 PolarHBondContact O-N 2.84Å; E128-A131 VanDerWaalsContact O-N 3.13Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 2.8Å; A131-R134 PolarHBondContact O-N 3.08Å; A131-H135 PolarHBondContact O-N 3.15Å |
| 132 | Q | 97.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 99.7 Ų | 99.7 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -53.6 | 174.1 | -179.2 | -178.2 | -25.9 | 0 | 0 | 110.5 | E128 E129 R134 H135 E136 | E128-Q132 PolarHBondContact O-N 3.4Å; E129-Q132 PolarHBondContact O-N 2.94Å; Q132-R134 VanDerWaalsContact C-N 3.27Å; Q132-R134 PolarHBondContact O-N 3.12Å; Q132-H135 PolarHBondContact O-N 3.14Å; Q132-H135 VanDerWaalsContact O-N 3.11Å; Q132-E136 PolarHBondContact NE2-OE1 2.85Å; Q132-E136 WeakPolarHBondContact O-CB 3.29Å; Q132-E136 PolarHBondContact O-N 2.78Å |
| 133 | L | 98 | Very high | 97.3 | Very high | 90 Ų | 90 | 98.4 Ų | 98.4 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -35.6 | -179.5 | -71.4 | 174.8 | 0 | 0 | 0 | 112.3 | E129 L137 | E129-L133 HydrophobicContact CG-CD1 3.91Å; E129-L133 HydrophobicContact CG-CG 4.33Å; E129-L133 WeakPolarHBondContact O-CB 3.46Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.49Å; E129-L133 PolarHBondContact O-N 3.38Å; L133-L137 VanDerWaalsContact O-CB 3.25Å; L133-L137 WeakPolarHBondContact O-CB 3.32Å; L133-L137 PolarHBondContact O-N 2.64Å |
| 134 | R | 97.6 | Very high | 97 | Very high | 175 Ų | 175 | 99.7 Ų | 99.7 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65 | -48.4 | 172.5 | -78.5 | 169.3 | 179.3 | 179.9 | 1.8 | 112.1 | I130 A131 Q132 E136 L137 T138 | I130-R134 VanDerWaalsContact O-CB 3.3Å; I130-R134 WeakPolarHBondContact O-CB 3.18Å; I130-R134 WeakPolarHBondContact O-CD 3.26Å; I130-R134 WeakPolarHBondContact O-CG 3.47Å; I130-R134 PolarHBondContact O-N 3.46Å; A131-R134 PolarHBondContact O-N 3.08Å; Q132-R134 VanDerWaalsContact C-N 3.27Å; Q132-R134 PolarHBondContact O-N 3.12Å; R134-E136 VanDerWaalsContact C-N 3.34Å; R134-E136 PolarHBondContact O-N 3.14Å; R134-L137 PolarHBondContact O-N 3.15Å; R134-T138 PolarHBondContact O-N 3.49Å; R134-T138 PolarHBondContact O-OG1 3.38Å; R134-T138 VanDerWaalsContact O-OG1 3.14Å |
| 135 | H | 97.7 | Very high | 96.6 | Very high | 123 Ų | 123 | 101.3 Ų | 101.3 | 57% | 0.569 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 177.4 | 177.9 | 44.7 | 0 | 0 | 0 | 111.6 | A131 Q132 L137 T138 M139 | A131-H135 PolarHBondContact O-N 3.15Å; Q132-H135 PolarHBondContact O-N 3.14Å; Q132-H135 VanDerWaalsContact O-N 3.11Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 2.84Å; H135-T138 PolarHBondContact O-N 3.28Å; H135-M139 WeakPolarHBondContact O-CG 3.37Å; H135-M139 PolarHBondContact O-N 3.46Å |
| 136 | E | 97.8 | Very high | 96.2 | Very high | 62 Ų | 62 | 102.7 Ų | 102.7 | 29% | 0.29 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -31.8 | 174.4 | -99.8 | -159.8 | -121.4 | 0 | 0 | 113.8 | Q132 R134 R140 | Q132-E136 PolarHBondContact NE2-OE1 2.85Å; Q132-E136 WeakPolarHBondContact O-CB 3.29Å; Q132-E136 PolarHBondContact O-N 2.78Å; R134-E136 VanDerWaalsContact C-N 3.34Å; R134-E136 PolarHBondContact O-N 3.14Å; E136-R140 WeakPolarHBondContact O-CG 3.42Å; E136-R140 PolarHBondContact O-N 2.64Å; E136-R140 PolarHBondContact O-NH1 3.32Å; E136-R140 IonicContact OE2-CZ 3.21Å; E136-R140 VanDerWaalsContact OE2-CZ 3.23Å; E136-R140 IonicContact OE2-NH1 3.91Å; E136-R140 PolarHBondContact OE2-NH1 2.66Å; E136-R140 IonicContact OE2-NH2 3.51Å; E136-R140 PolarHBondContact OE2-NH2 3.47Å |
| 137 | L | 97.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 108 Ų | 108 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.9 | -47.5 | 173.8 | -173.3 | 153.3 | 0 | 0 | 0 | 110.3 | L133 R134 H135 M139 R140 D141 | L133-L137 VanDerWaalsContact O-CB 3.25Å; L133-L137 WeakPolarHBondContact O-CB 3.32Å; L133-L137 PolarHBondContact O-N 2.64Å; R134-L137 PolarHBondContact O-N 3.15Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 2.84Å; L137-M139 VanDerWaalsContact C-N 3.33Å; L137-M139 PolarHBondContact O-N 3.39Å; L137-R140 WeakPolarHBondContact O-CA 3.36Å; L137-R140 WeakPolarHBondContact O-CB 3.34Å; L137-R140 PolarHBondContact O-N 2.8Å; L137-D141 VanDerWaalsContact CD2-OD2 3.24Å; L137-D141 WeakPolarHBondContact CD2-OD2 3.45Å; L137-D141 PolarHBondContact O-N 2.81Å |
| 138 | T | 97.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 105.8 Ų | 105.8 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -44 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | R134 H135 R140 D141 D142 | R134-T138 PolarHBondContact O-N 3.49Å; R134-T138 PolarHBondContact O-OG1 3.38Å; R134-T138 VanDerWaalsContact O-OG1 3.14Å; H135-T138 PolarHBondContact O-N 3.28Å; T138-R140 PolarHBondContact O-N 3.5Å; T138-D141 PolarHBondContact O-N 3.43Å; T138-D142 WeakPolarHBondContact O-CB 3.44Å; T138-D142 PolarHBondContact O-N 2.9Å |
| 139 | M | 97.1 | Very high | 94.1 | Very high | 105 Ų | 105 | 101.6 Ų | 101.6 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -26.8 | 176.4 | -72.7 | -62.4 | -55.1 | 0 | 0 | 113.4 | H135 L137 L143 | H135-M139 WeakPolarHBondContact O-CG 3.37Å; H135-M139 PolarHBondContact O-N 3.46Å; L137-M139 VanDerWaalsContact C-N 3.33Å; L137-M139 PolarHBondContact O-N 3.39Å; M139-L143 PolarHBondContact O-N 2.84Å |
| 140 | R | 96.4 | Very high | 93.2 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 53% | 0.525 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -82 | -38.8 | 173.9 | -72.4 | 177.9 | -176 | 101.3 | -1.6 | 111.6 | E136 L137 T138 L143 L144 | E136-R140 WeakPolarHBondContact O-CG 3.42Å; E136-R140 PolarHBondContact O-N 2.64Å; E136-R140 PolarHBondContact O-NH1 3.32Å; E136-R140 IonicContact OE2-CZ 3.21Å; E136-R140 VanDerWaalsContact OE2-CZ 3.23Å; E136-R140 IonicContact OE2-NH1 3.91Å; E136-R140 PolarHBondContact OE2-NH1 2.66Å; E136-R140 IonicContact OE2-NH2 3.51Å; E136-R140 PolarHBondContact OE2-NH2 3.47Å; L137-R140 WeakPolarHBondContact O-CA 3.36Å; L137-R140 WeakPolarHBondContact O-CB 3.34Å; L137-R140 PolarHBondContact O-N 2.8Å; T138-R140 PolarHBondContact O-N 3.5Å; R140-L143 PolarHBondContact O-N 3.11Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.45Å; R140-L144 PolarHBondContact O-N 2.95Å |
| 141 | D | 96.4 | Very high | 91.9 | Very high | 87 Ų | 87 | 101.6 Ų | 101.6 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.7 | -75.3 | -10.4 | 0 | 0 | 0 | 111.7 | L137 T138 L143 L144 Q145 | L137-D141 VanDerWaalsContact CD2-OD2 3.24Å; L137-D141 WeakPolarHBondContact CD2-OD2 3.45Å; L137-D141 PolarHBondContact O-N 2.81Å; T138-D141 PolarHBondContact O-N 3.43Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.47Å; D141-L144 PolarHBondContact O-N 3.2Å; D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 PolarHBondContact O-N 3.27Å |
| 142 | D | 95 | Very high | 90.2 | Very high | 68 Ų | 68 | 106.1 Ų | 106.1 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 173.8 | -74.4 | -19.6 | 0 | 0 | 0 | 110.9 | T138 Q145 F146 | T138-D142 WeakPolarHBondContact O-CB 3.44Å; T138-D142 PolarHBondContact O-N 2.9Å; D142-Q145 WeakPolarHBondContact O-CB 3.47Å; D142-Q145 PolarHBondContact O-N 2.96Å; D142-F146 WeakPolarHBondContact O-CD2 3.25Å; D142-F146 PolarHBondContact O-N 3.3Å |
| 143 | L | 94.3 | Very high | 88.4 | Confident | 91 Ų | 91 | 104.5 Ų | 104.5 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178 | -177.4 | 61.1 | 0 | 0 | 0 | 112.2 | M139 R140 D141 Q145 F146 Y147 | M139-L143 PolarHBondContact O-N 2.84Å; R140-L143 PolarHBondContact O-N 3.11Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.47Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; L143-F146 PolarHBondContact O-N 3.43Å; L143-Y147 HydrophobicContact CD1-CD2 4.14Å; L143-Y147 HydrophobicContact CD1-CE2 3.69Å; L143-Y147 HydrophobicContact CD2-CE2 4.35Å; L143-Y147 HydrophobicContact CG-CD2 4.05Å; L143-Y147 HydrophobicContact CG-CE2 3.81Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.23Å |
| 144 | L | 91.1 | Very high | 86.5 | Confident | 112 Ų | 112 | 106.9 Ų | 106.9 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 173.5 | -72.4 | 169.4 | 0 | 0 | 0 | 111.7 | R140 D141 Y147 A148 | R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.45Å; R140-L144 PolarHBondContact O-N 2.95Å; D141-L144 PolarHBondContact O-N 3.2Å; L144-Y147 PolarHBondContact O-N 2.83Å; L144-A148 WeakPolarHBondContact O-CB 3.33Å; L144-A148 PolarHBondContact O-N 2.86Å |
| 145 | Q | 89.7 | Confident | 84.3 | Confident | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 173.7 | -169.2 | 178 | 22.7 | 0 | 0 | 111.8 | D141 D142 L143 S149 | D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 PolarHBondContact O-N 3.27Å; D142-Q145 WeakPolarHBondContact O-CB 3.47Å; D142-Q145 PolarHBondContact O-N 2.96Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; Q145-S149 WeakPolarHBondContact O-CB 3.46Å; Q145-S149 PolarHBondContact O-N 3.37Å; Q145-S149 PolarHBondContact O-OG 3.33Å |
| 146 | F | 89.3 | Confident | 82.1 | Confident | 143 Ų | 143 | 101.9 Ų | 101.9 | 63% | 0.627 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 170.5 | -78.7 | -64.7 | 0 | 0 | 0 | 112.1 | D142 L143 S149 T150 | D142-F146 WeakPolarHBondContact O-CD2 3.25Å; D142-F146 PolarHBondContact O-N 3.3Å; L143-F146 PolarHBondContact O-N 3.43Å; F146-S149 PolarHBondContact O-OG 3.29Å; F146-T150 VanDerWaalsContact O-CB 3.28Å; F146-T150 WeakPolarHBondContact O-CB 3.33Å; F146-T150 PolarHBondContact O-N 3.45Å; F146-T150 PolarHBondContact O-OG1 2.97Å |
| 147 | Y | 88.4 | Confident | 79.9 | Confident | 153 Ų | 153 | 106.5 Ų | 106.5 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 176.4 | -80.6 | -64.7 | 0 | 0 | 0 | 113 | L143 L144 S149 T150 E151 | L143-Y147 HydrophobicContact CD1-CD2 4.14Å; L143-Y147 HydrophobicContact CD1-CE2 3.69Å; L143-Y147 HydrophobicContact CD2-CE2 4.35Å; L143-Y147 HydrophobicContact CG-CD2 4.05Å; L143-Y147 HydrophobicContact CG-CE2 3.81Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.23Å; L144-Y147 PolarHBondContact O-N 2.83Å; Y147-S149 PolarHBondContact O-N 3.39Å; Y147-T150 PolarHBondContact O-N 2.83Å; Y147-E151 PolarHBondContact O-N 2.86Å |
| 148 | A | 83.6 | Confident | 77.4 | Confident | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -45.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 T150 E151 E152 | L144-A148 WeakPolarHBondContact O-CB 3.33Å; L144-A148 PolarHBondContact O-N 2.86Å; A148-T150 VanDerWaalsContact C-N 3.33Å; A148-T150 PolarHBondContact O-N 3.49Å; A148-E151 PolarHBondContact O-N 3.28Å; A148-E152 PolarHBondContact O-N 3.29Å |
| 149 | S | 78.6 | Confident | 74.8 | Confident | 54 Ų | 54 | 109.1 Ų | 109.1 | 38% | 0.378 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.6 | -25.9 | 176.3 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | Q145 F146 Y147 T153 | Q145-S149 WeakPolarHBondContact O-CB 3.46Å; Q145-S149 PolarHBondContact O-N 3.37Å; Q145-S149 PolarHBondContact O-OG 3.33Å; F146-S149 PolarHBondContact O-OG 3.29Å; Y147-S149 PolarHBondContact O-N 3.39Å; S149-T153 WeakPolarHBondContact O-CG2 3.34Å; S149-T153 PolarHBondContact O-N 2.86Å; S149-T153 PolarHBondContact O-OG1 3.38Å |
| 150 | T | 78.2 | Confident | 71.8 | Confident | 70 Ų | 70 | 109.3 Ų | 109.3 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.3 | -42.3 | 169.8 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | F146 Y147 A148 E152 T153 E154 | F146-T150 VanDerWaalsContact O-CB 3.28Å; F146-T150 WeakPolarHBondContact O-CB 3.33Å; F146-T150 PolarHBondContact O-N 3.45Å; F146-T150 PolarHBondContact O-OG1 2.97Å; Y147-T150 PolarHBondContact O-N 2.83Å; A148-T150 VanDerWaalsContact C-N 3.33Å; A148-T150 PolarHBondContact O-N 3.49Å; T150-E152 PolarHBondContact O-N 2.95Å; T150-T153 WeakPolarHBondContact CA-OG1 3.43Å; T150-T153 PolarHBondContact O-N 2.86Å; T150-T153 PolarHBondContact O-OG1 3.28Å; T150-T153 VanDerWaalsContact O-OG1 3.12Å; T150-E154 WeakPolarHBondContact O-CB 3.37Å; T150-E154 PolarHBondContact O-N 3.36Å |
| 151 | E | 71.6 | Confident | 69.3 | Low | 129 Ų | 129 | 108.7 Ų | 108.7 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 176.5 | -177.4 | 175.6 | 173.3 | 0 | 0 | 111.8 | Y147 A148 T153 N155 | Y147-E151 PolarHBondContact O-N 2.86Å; A148-E151 PolarHBondContact O-N 3.28Å; E151-T153 VanDerWaalsContact C-N 3.3Å; E151-T153 PolarHBondContact O-N 2.91Å; E151-N155 WeakPolarHBondContact CG-ND2 3.44Å; E151-N155 VanDerWaalsContact O-CB 3.27Å; E151-N155 WeakPolarHBondContact O-CB 3.33Å; E151-N155 PolarHBondContact O-N 3.5Å; E151-N155 PolarHBondContact O-ND2 2.82Å |
| 152 | E | 60.3 | Low | 66.8 | Low | 152 Ų | 152 | 116 Ų | 116 | 71% | 0.71 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.4 | -35.4 | 174 | -72.5 | -173.8 | 159.3 | 0 | 0 | 112.7 | A148 T150 A156 | A148-E152 PolarHBondContact O-N 3.29Å; T150-E152 PolarHBondContact O-N 2.95Å; E152-A156 PolarHBondContact O-N 3.36Å |
| 153 | T | 60.2 | Low | 64.3 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -84.8 | -29.1 | -179.9 | 50.6 | 0 | 0 | 0 | 0 | 114 | S149 T150 E151 A156 Q157 | S149-T153 WeakPolarHBondContact O-CG2 3.34Å; S149-T153 PolarHBondContact O-N 2.86Å; S149-T153 PolarHBondContact O-OG1 3.38Å; T150-T153 WeakPolarHBondContact CA-OG1 3.43Å; T150-T153 PolarHBondContact O-N 2.86Å; T150-T153 PolarHBondContact O-OG1 3.28Å; T150-T153 VanDerWaalsContact O-OG1 3.12Å; E151-T153 VanDerWaalsContact C-N 3.3Å; E151-T153 PolarHBondContact O-N 2.91Å; T153-A156 PolarHBondContact O-N 3.43Å; T153-Q157 WeakPolarHBondContact O-CG 3.35Å; T153-Q157 PolarHBondContact O-N 3.35Å |
| 154 | E | 57.9 | Low | 62.3 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.8 | -39.7 | 172 | -171.6 | 167.6 | -162.5 | 0 | 0 | 111.3 | T150 A156 Q157 G158 | T150-E154 WeakPolarHBondContact O-CB 3.37Å; T150-E154 PolarHBondContact O-N 3.36Å; E154-A156 PolarHBondContact O-N 3.01Å; E154-Q157 CarbonylContact O-C 3.57Å; E154-Q157 WeakPolarHBondContact O-CA 3.43Å; E154-Q157 PolarHBondContact O-N 3.27Å; E154-G158 PolarHBondContact O-N 3.46Å |
| 155 | N | 53 | Low | 60 | Low | 115 Ų | 115 | 130.4 Ų | 130.4 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.1 | -31.4 | 170.1 | -82.4 | -55.7 | 0 | 0 | 0 | 112.3 | E151 | E151-N155 WeakPolarHBondContact CG-ND2 3.44Å; E151-N155 VanDerWaalsContact O-CB 3.27Å; E151-N155 WeakPolarHBondContact O-CB 3.33Å; E151-N155 PolarHBondContact O-N 3.5Å; E151-N155 PolarHBondContact O-ND2 2.82Å |
| 156 | A | 51.8 | Low | 57.9 | Low | 77 Ų | 77 | 128.2 Ų | 128.2 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.5 | -21.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E152 T153 E154 | E152-A156 PolarHBondContact O-N 3.36Å; T153-A156 PolarHBondContact O-N 3.43Å; E154-A156 PolarHBondContact O-N 3.01Å |
| 157 | Q | 50 | Low | 56 | Low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -97.3 | -13 | 179.8 | -70 | -171 | 24.3 | 0 | 0 | 114.7 | T153 E154 L159 | T153-Q157 WeakPolarHBondContact O-CG 3.35Å; T153-Q157 PolarHBondContact O-N 3.35Å; E154-Q157 CarbonylContact O-C 3.57Å; E154-Q157 WeakPolarHBondContact O-CA 3.43Å; E154-Q157 PolarHBondContact O-N 3.27Å; Q157-L159 PolarHBondContact O-N 2.9Å |
| 158 | G | 45.3 | Very low | 54.1 | Low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | trans | -60 | -2.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | E154 | E154-G158 PolarHBondContact O-N 3.46Š| ||
| 159 | L | 43.1 | Very low | 52.4 | Low | 158 Ų | 158 | 127.7 Ų | 127.7 | 83% | 0.827 | 68% | 0.677 | S | S | * | * | trans | -105.3 | 54 | -176.1 | -65.2 | 177.2 | 0 | 0 | 0 | 113.8 | Q157 | Q157-L159 PolarHBondContact O-N 2.9Š| ||
| 160 | S | 33.7 | Very low | 51.2 | Low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -152.3 | 127.2 | 164.8 | -87.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 161 | P | 44.1 | Very low | 50.1 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -74.7 | 129.9 | -173.9 | -20.7 | 34.1 | 0 | 0 | 0 | 116.4 | I163 | P161-I163 PolarHBondContact O-N 3.37Š| ||
| 162 | R | 44.7 | Very low | 49.3 | Very low | 241 Ų | 241 | 127 Ų | 127 | 91% | 0.909 | 68% | 0.679 | S | S | * | * | trans | -51.9 | 106.5 | 167.9 | 179.1 | -174.9 | -178.1 | -173.7 | 4.5 | 113.6 | ||||
| 163 | I | 41.8 | Very low | 49.4 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 80% | 0.795 | 67% | 0.667 | S | S | * | * | trans | -88.1 | 128.9 | 173.6 | -64.6 | 179.8 | 0 | 0 | 0 | 111.2 | P161 | P161-I163 PolarHBondContact O-N 3.37Š| ||
| 164 | K | 52 | Low | 49.4 | Very low | 186 Ų | 186 | 123.6 Ų | 123.6 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | trans | -84.1 | 133.8 | 176.3 | -57.7 | 176.2 | -179.1 | 178.9 | 0 | 111.6 | ||||
| 165 | R | 42.9 | Very low | 49.9 | Very low | 232 Ų | 232 | 122.9 Ų | 122.9 | 88% | 0.875 | 66% | 0.663 | S | S | * | * | trans | -165.2 | 153.9 | 155.9 | -121.1 | -179.8 | -174.1 | 90.4 | -2.3 | 114.2 | ||||
| 166 | N | 44.5 | Very low | 50.8 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 49% | 0.492 | 66% | 0.659 | S | S | . | * | trans | 78.3 | 74.2 | 159 | -164 | 17.3 | 0 | 0 | 0 | 119.6 | S168 S169 | N166-S168 PolarHBondContact O-N 2.76Å; N166-S168 PolarHBondContact OD1-N 2.99Å; N166-S169 WeakPolarHBondContact ND2-CB 3.05Å; N166-S169 PolarHBondContact ND2-OG 3.07Å; N166-S169 PolarHBondContact OD1-N 3.36Å | ||
| 167 | E | 50.6 | Low | 52.1 | Low | 163 Ų | 163 | 123.7 Ų | 123.7 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 31.9 | 168.1 | -61.7 | -62.8 | 169.9 | 0 | 0 | 114 | S170 | E167-S170 WeakPolarHBondContact CA-OG 3.36Å; E167-S170 PolarHBondContact OE2-OG 3.37Å |
| 168 | S | 47.6 | Very low | 53.6 | Low | 101 Ų | 101 | 122.5 Ų | 122.5 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.3 | -7 | -177.9 | -57 | 0 | 0 | 0 | 0 | 114.9 | N166 | N166-S168 PolarHBondContact O-N 2.76Å; N166-S168 PolarHBondContact OD1-N 2.99Å |
| 169 | S | 49.5 | Very low | 55.5 | Low | 75 Ų | 75 | 123 Ų | 123 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -92.1 | -13.2 | 154.4 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | N166 S173 | N166-S169 WeakPolarHBondContact ND2-CB 3.05Å; N166-S169 PolarHBondContact ND2-OG 3.07Å; N166-S169 PolarHBondContact OD1-N 3.36Å; S169-S173 PolarHBondContact O-OG 3.33Å |
| 170 | S | 53.3 | Low | 57.8 | Low | 26 Ų | 26 | 122.2 Ų | 122.2 | 18% | 0.182 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -67.8 | -35.2 | -175.5 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | E167 L172 S173 N174 | E167-S170 WeakPolarHBondContact CA-OG 3.36Å; E167-S170 PolarHBondContact OE2-OG 3.37Å; S170-L172 PolarHBondContact O-N 2.95Å; S170-S173 WeakPolarHBondContact CA-OG 3.22Å; S170-S173 PolarHBondContact O-N 3.14Å; S170-S173 PolarHBondContact O-OG 2.99Å; S170-N174 WeakPolarHBondContact O-CB 3.44Å; S170-N174 PolarHBondContact O-N 2.85Å; S170-N174 PolarHBondContact O-ND2 3.09Å; S170-N174 PolarHBondContact O-OD1 3.47Å |
| 171 | S | 54.8 | Low | 60.5 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 57% | 0.566 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.6 | -42.5 | -176.6 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | F175 | S171-F175 PolarHBondContact O-N 3.26Å |
| 172 | L | 55.1 | Low | 62.7 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.9 | -34.1 | -177.4 | -157.2 | 148.2 | 0 | 0 | 0 | 111.8 | S170 V176 | S170-L172 PolarHBondContact O-N 2.95Å; L172-V176 WeakPolarHBondContact O-CG2 3.29Å; L172-V176 PolarHBondContact O-N 3.11Å |
| 173 | S | 60.8 | Low | 65.1 | Low | 65 Ų | 65 | 114.2 Ų | 114.2 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.4 | -36.1 | 169.5 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | S169 S170 F175 V176 H177 | S169-S173 PolarHBondContact O-OG 3.33Å; S170-S173 WeakPolarHBondContact CA-OG 3.22Å; S170-S173 PolarHBondContact O-N 3.14Å; S170-S173 PolarHBondContact O-OG 2.99Å; S173-F175 VanDerWaalsContact C-N 3.34Å; S173-V176 PolarHBondContact O-N 3.02Å; S173-H177 VanDerWaalsContact O-CB 3.23Å; S173-H177 WeakPolarHBondContact O-CB 3.49Å; S173-H177 PolarHBondContact O-N 2.93Å |
| 174 | N | 62 | Low | 67.6 | Low | 97 Ų | 97 | 110.7 Ų | 110.7 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -36.7 | 175.9 | -72.6 | -8.6 | 0 | 0 | 0 | 111.4 | S170 H177 Y178 | S170-N174 WeakPolarHBondContact O-CB 3.44Å; S170-N174 PolarHBondContact O-N 2.85Å; S170-N174 PolarHBondContact O-ND2 3.09Å; S170-N174 PolarHBondContact O-OD1 3.47Å; N174-H177 PolarHBondContact O-N 3.38Å; N174-Y178 VanDerWaalsContact O-CB 3.24Å; N174-Y178 WeakPolarHBondContact O-CB 3.22Å; N174-Y178 PolarHBondContact O-N 3.28Å |
| 175 | F | 67.4 | Low | 69.7 | Low | 125 Ų | 125 | 105.8 Ų | 105.8 | 55% | 0.548 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -50.3 | 173.8 | -174.2 | -98.4 | 0 | 0 | 0 | 111.6 | S171 S173 H177 Y178 D179 | S171-F175 PolarHBondContact O-N 3.26Å; S173-F175 VanDerWaalsContact C-N 3.34Å; F175-H177 VanDerWaalsContact C-N 3.28Å; F175-H177 PolarHBondContact O-N 2.95Å; F175-Y178 WeakPolarHBondContact O-CB 3.39Å; F175-Y178 PolarHBondContact O-N 2.91Å; F175-Y178 VanDerWaalsContact O-N 3.12Å; F175-D179 WeakPolarHBondContact CE1-OD2 3.36Å; F175-D179 PolarHBondContact O-N 3.3Å |
| 176 | V | 72.4 | Confident | 72.2 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L172 S173 F180 | L172-V176 WeakPolarHBondContact O-CG2 3.29Å; L172-V176 PolarHBondContact O-N 3.11Å; S173-V176 PolarHBondContact O-N 3.02Å; V176-F180 WeakPolarHBondContact O-CB 3.5Å; V176-F180 PolarHBondContact O-N 3.42Å |
| 177 | H | 77.9 | Confident | 74.7 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.6 | -38.1 | 174.3 | -177.1 | 64.5 | 0 | 0 | 0 | 112.4 | S173 N174 F175 F180 L181 | S173-H177 VanDerWaalsContact O-CB 3.23Å; S173-H177 WeakPolarHBondContact O-CB 3.49Å; S173-H177 PolarHBondContact O-N 2.93Å; N174-H177 PolarHBondContact O-N 3.38Å; F175-H177 VanDerWaalsContact C-N 3.28Å; F175-H177 PolarHBondContact O-N 2.95Å; H177-F180 PolarHBondContact O-N 3.15Å; H177-L181 VanDerWaalsContact O-CB 3.29Å; H177-L181 WeakPolarHBondContact O-CB 3.33Å; H177-L181 PolarHBondContact O-N 3.19Å |
| 178 | Y | 81.3 | Confident | 76.8 | Confident | 133 Ų | 133 | 94.8 Ų | 94.8 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 175.5 | -174.6 | -103.4 | 0 | 0 | 0 | 111.8 | N174 F175 L181 H182 | N174-Y178 VanDerWaalsContact O-CB 3.24Å; N174-Y178 WeakPolarHBondContact O-CB 3.22Å; N174-Y178 PolarHBondContact O-N 3.28Å; F175-Y178 WeakPolarHBondContact O-CB 3.39Å; F175-Y178 PolarHBondContact O-N 2.91Å; F175-Y178 VanDerWaalsContact O-N 3.12Å; Y178-L181 PolarHBondContact O-N 2.83Å; Y178-H182 AromaticContact CD1-CD2 3.71Å; Y178-H182 AromaticContact CE1-CD2 3.39Å; Y178-H182 WeakPolarHBondContact CE1-CD2 3.34Å; Y178-H182 AromaticContact CE1-NE2 3.43Å; Y178-H182 WeakPolarHBondContact CE1-NE2 3.41Å; Y178-H182 AromaticContact CE2-CD2 3.86Å; Y178-H182 AromaticContact CE2-NE2 3.62Å; Y178-H182 AromaticContact CZ-CD2 3.48Å; Y178-H182 VanDerWaalsContact CZ-CD2 3.48Å; Y178-H182 AromaticContact CZ-NE2 3.09Å; Y178-H182 WeakPolarHBondContact O-CB 3.47Å; Y178-H182 PolarHBondContact O-CD2 3.47Å; Y178-H182 PolarHBondContact O-N 3.49Å; Y178-H182 PolarHBondContact OH-NE2 3.35Å |
| 179 | D | 85.4 | Confident | 79.2 | Confident | 77 Ų | 77 | 95.5 Ų | 95.5 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.1 | -75.9 | -10.3 | 0 | 0 | 0 | 111.6 | F175 H182 Q183 | F175-D179 WeakPolarHBondContact CE1-OD2 3.36Å; F175-D179 PolarHBondContact O-N 3.3Å; D179-H182 PolarHBondContact O-N 2.91Å; D179-Q183 WeakPolarHBondContact O-CB 3.2Å; D179-Q183 PolarHBondContact O-N 2.77Å |
| 180 | F | 91.4 | Very high | 81.4 | Confident | 141 Ų | 141 | 96.8 Ų | 96.8 | 62% | 0.618 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 174.1 | 177.2 | -95.9 | 0 | 0 | 0 | 111.9 | V176 H177 Q183 K184 | V176-F180 WeakPolarHBondContact O-CB 3.5Å; V176-F180 PolarHBondContact O-N 3.42Å; H177-F180 PolarHBondContact O-N 3.15Å; F180-Q183 PolarHBondContact O-N 3.4Å; F180-K184 PolarHBondContact O-N 3.14Å |
| 181 | L | 91 | Very high | 83.5 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.4 | -176.5 | 61.3 | 0 | 0 | 0 | 111.7 | H177 Y178 K184 L185 | H177-L181 VanDerWaalsContact O-CB 3.29Å; H177-L181 WeakPolarHBondContact O-CB 3.33Å; H177-L181 PolarHBondContact O-N 3.19Å; Y178-L181 PolarHBondContact O-N 2.83Å; L181-K184 PolarHBondContact O-N 2.87Å; L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.17Å; L181-L185 PolarHBondContact O-N 3.33Å |
| 182 | H | 91.1 | Very high | 85.5 | Confident | 85 Ų | 85 | 99.1 Ų | 99.1 | 39% | 0.394 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 172.5 | -94.7 | -75.7 | 0 | 0 | 0 | 112.4 | Y178 D179 K184 L185 K186 | Y178-H182 AromaticContact CD1-CD2 3.71Å; Y178-H182 AromaticContact CE1-CD2 3.39Å; Y178-H182 WeakPolarHBondContact CE1-CD2 3.34Å; Y178-H182 AromaticContact CE1-NE2 3.43Å; Y178-H182 WeakPolarHBondContact CE1-NE2 3.41Å; Y178-H182 AromaticContact CE2-CD2 3.86Å; Y178-H182 AromaticContact CE2-NE2 3.62Å; Y178-H182 AromaticContact CZ-CD2 3.48Å; Y178-H182 VanDerWaalsContact CZ-CD2 3.48Å; Y178-H182 AromaticContact CZ-NE2 3.09Å; Y178-H182 WeakPolarHBondContact O-CB 3.47Å; Y178-H182 PolarHBondContact O-CD2 3.47Å; Y178-H182 PolarHBondContact O-N 3.49Å; Y178-H182 PolarHBondContact OH-NE2 3.35Å; D179-H182 PolarHBondContact O-N 2.91Å; H182-K184 VanDerWaalsContact C-N 3.31Å; H182-K184 PolarHBondContact O-N 2.72Å; H182-L185 PolarHBondContact O-N 3.12Å; H182-K186 VanDerWaalsContact O-CB 3.31Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 3.39Å |
| 183 | Q | 93.4 | Very high | 87.5 | Confident | 122 Ų | 122 | 98.5 Ų | 98.5 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -34.5 | 177.2 | -176.8 | 55.4 | 45.1 | 0 | 0 | 111.7 | D179 F180 S187 | D179-Q183 WeakPolarHBondContact O-CB 3.2Å; D179-Q183 PolarHBondContact O-N 2.77Å; F180-Q183 PolarHBondContact O-N 3.4Å; Q183-S187 PolarHBondContact O-N 3.37Å |
| 184 | K | 95.3 | Very high | 89.2 | Confident | 80 Ų | 80 | 101 Ų | 101 | 35% | 0.348 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76.1 | -36.8 | 173.7 | -175 | 55.1 | -170 | 154.6 | 0 | 112.7 | F180 L181 H182 S187 L188 E191 | F180-K184 PolarHBondContact O-N 3.14Å; L181-K184 PolarHBondContact O-N 2.87Å; H182-K184 VanDerWaalsContact C-N 3.31Å; H182-K184 PolarHBondContact O-N 2.72Å; K184-S187 PolarHBondContact NZ-OG 2.89Å; K184-S187 PolarHBondContact O-N 2.94Å; K184-L188 HydrophobicContact CD-CD1 4.37Å; K184-L188 HydrophobicContact CD-CG 4.22Å; K184-L188 HydrophobicContact CG-CD1 4.1Å; K184-L188 HydrophobicContact CG-CG 4.45Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.26Å; K184-L188 PolarHBondContact O-N 3.48Å; K184-E191 IonicContact NZ-OE1 3.16Å; K184-E191 PolarHBondContact NZ-OE1 3.4Å; K184-E191 IonicContact NZ-OE2 3.92Å; K184-E191 PolarHBondContact NZ-OE2 2.76Å |
| 185 | L | 95.1 | Very high | 90.9 | Very high | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.8 | -52.6 | 170.3 | -177.3 | 77.8 | 0 | 0 | 0 | 109.7 | L181 H182 S187 L188 E189 | L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.17Å; L181-L185 PolarHBondContact O-N 3.33Å; H182-L185 PolarHBondContact O-N 3.12Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 2.83Å; L185-L188 CarbonylContact O-C 3.59Å; L185-L188 WeakPolarHBondContact O-CB 3.46Å; L185-L188 PolarHBondContact O-N 2.9Å; L185-L188 VanDerWaalsContact O-N 3.08Å; L185-E189 HydrophobicContact CG-CG 4.49Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 3.29Å |
| 186 | K | 96.5 | Very high | 92.4 | Very high | 137 Ų | 137 | 103.6 Ų | 103.6 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -34.4 | 178.7 | -174 | 175.7 | 179.5 | -178.9 | 0 | 113.4 | H182 E190 | H182-K186 VanDerWaalsContact O-CB 3.31Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 3.39Å; K186-E190 WeakPolarHBondContact O-CB 3.43Å; K186-E190 PolarHBondContact O-N 2.87Å; K186-E190 VanDerWaalsContact O-N 3.11Å |
| 187 | S | 96.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 103.8 Ų | 103.8 | 22% | 0.217 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 172.5 | 112.7 | 0 | 0 | 0 | 0 | 111.2 | Q183 K184 L185 E190 E191 | Q183-S187 PolarHBondContact O-N 3.37Å; K184-S187 PolarHBondContact NZ-OG 2.89Å; K184-S187 PolarHBondContact O-N 2.94Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 2.83Å; S187-E190 PolarHBondContact O-N 3.44Å; S187-E191 WeakPolarHBondContact CB-OE1 3.41Å; S187-E191 VanDerWaalsContact O-CB 3.29Å; S187-E191 WeakPolarHBondContact O-CB 3.32Å; S187-E191 VanDerWaalsContact O-CD 3.29Å; S187-E191 WeakPolarHBondContact O-CG 3.37Å; S187-E191 PolarHBondContact O-N 2.95Å; S187-E191 PolarHBondContact OG-OE1 3.43Å |
| 188 | L | 96.1 | Very high | 94.5 | Very high | 88 Ų | 88 | 101.6 Ų | 101.6 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | 176.6 | -70.4 | 167 | 0 | 0 | 0 | 112.4 | K184 L185 N192 | K184-L188 HydrophobicContact CD-CD1 4.37Å; K184-L188 HydrophobicContact CD-CG 4.22Å; K184-L188 HydrophobicContact CG-CD1 4.1Å; K184-L188 HydrophobicContact CG-CG 4.45Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.26Å; K184-L188 PolarHBondContact O-N 3.48Å; L185-L188 CarbonylContact O-C 3.59Å; L185-L188 WeakPolarHBondContact O-CB 3.46Å; L185-L188 PolarHBondContact O-N 2.9Å; L185-L188 VanDerWaalsContact O-N 3.08Å; L188-N192 WeakPolarHBondContact O-CB 3.48Å; L188-N192 PolarHBondContact O-N 2.85Å |
| 189 | E | 96.5 | Very high | 95.3 | Very high | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 172.5 | -74 | 172.4 | 164.4 | 0 | 0 | 111.3 | L185 N192 R193 | L185-E189 HydrophobicContact CG-CG 4.49Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 3.29Å; E189-N192 PolarHBondContact O-N 2.95Å; E189-R193 VanDerWaalsContact O-CB 3.3Å; E189-R193 WeakPolarHBondContact O-CB 3.42Å; E189-R193 PolarHBondContact O-N 3.33Å |
| 190 | E | 97.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 177.2 | -179.4 | 64.9 | 179.2 | 0 | 0 | 112.3 | K186 S187 R193 K194 | K186-E190 WeakPolarHBondContact O-CB 3.43Å; K186-E190 PolarHBondContact O-N 2.87Å; K186-E190 VanDerWaalsContact O-N 3.11Å; S187-E190 PolarHBondContact O-N 3.44Å; E190-R193 VanDerWaalsContact CD-NH2 3.28Å; E190-R193 PolarHBondContact O-N 3Å; E190-R193 IonicContact OE1-CZ 3.85Å; E190-R193 IonicContact OE1-NE 3.64Å; E190-R193 IonicContact OE1-NH2 3.37Å; E190-R193 PolarHBondContact OE1-NH2 2.87Å; E190-R193 IonicContact OE2-CZ 3.5Å; E190-R193 IonicContact OE2-NE 3.62Å; E190-R193 PolarHBondContact OE2-NE 3.09Å; E190-R193 IonicContact OE2-NH2 3.43Å; E190-R193 PolarHBondContact OE2-NH2 2.66Å; E190-K194 WeakPolarHBondContact O-CB 3.49Å; E190-K194 PolarHBondContact O-N 2.82Å |
| 191 | E | 96.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 98 Ų | 98 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 171.6 | -73.5 | 156.6 | -140.9 | 0 | 0 | 110.5 | K184 S187 K194 L195 | K184-E191 IonicContact NZ-OE1 3.16Å; K184-E191 PolarHBondContact NZ-OE1 3.4Å; K184-E191 IonicContact NZ-OE2 3.92Å; K184-E191 PolarHBondContact NZ-OE2 2.76Å; S187-E191 WeakPolarHBondContact CB-OE1 3.41Å; S187-E191 VanDerWaalsContact O-CB 3.29Å; S187-E191 WeakPolarHBondContact O-CB 3.32Å; S187-E191 VanDerWaalsContact O-CD 3.29Å; S187-E191 WeakPolarHBondContact O-CG 3.37Å; S187-E191 PolarHBondContact O-N 2.95Å; S187-E191 PolarHBondContact OG-OE1 3.43Å; E191-K194 PolarHBondContact O-N 3.36Å; E191-L195 WeakPolarHBondContact O-CB 3.31Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.24Å; E191-L195 PolarHBondContact O-N 2.77Å |
| 192 | N | 95.8 | Very high | 96.4 | Very high | 72 Ų | 72 | 97.8 Ų | 97.8 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 177.1 | -159.6 | -100.7 | 0 | 0 | 0 | 112 | L188 E189 R196 | L188-N192 WeakPolarHBondContact O-CB 3.48Å; L188-N192 PolarHBondContact O-N 2.85Å; E189-N192 PolarHBondContact O-N 2.95Å; N192-R196 WeakPolarHBondContact O-CB 3.4Å; N192-R196 VanDerWaalsContact O-CG 3.26Å; N192-R196 WeakPolarHBondContact O-CG 3.27Å; N192-R196 PolarHBondContact O-N 3.19Å; N192-R196 PolarHBondContact OD1-NE 3.45Å; N192-R196 PolarHBondContact OD1-NH2 3.18Å |
| 193 | R | 97.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 97.1 Ų | 97.1 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 172 | -169 | -168.9 | 68.4 | 72.6 | -0 | 111.4 | E189 E190 L197 | E189-R193 VanDerWaalsContact O-CB 3.3Å; E189-R193 WeakPolarHBondContact O-CB 3.42Å; E189-R193 PolarHBondContact O-N 3.33Å; E190-R193 VanDerWaalsContact CD-NH2 3.28Å; E190-R193 PolarHBondContact O-N 3Å; E190-R193 IonicContact OE1-CZ 3.85Å; E190-R193 IonicContact OE1-NE 3.64Å; E190-R193 IonicContact OE1-NH2 3.37Å; E190-R193 PolarHBondContact OE1-NH2 2.87Å; E190-R193 IonicContact OE2-CZ 3.5Å; E190-R193 IonicContact OE2-NE 3.62Å; E190-R193 PolarHBondContact OE2-NE 3.09Å; E190-R193 IonicContact OE2-NH2 3.43Å; E190-R193 PolarHBondContact OE2-NH2 2.66Å; R193-L197 VanDerWaalsContact NH1-CD1 3.25Å; R193-L197 PolarHBondContact O-N 2.85Å; R193-L197 VanDerWaalsContact O-N 3.12Å |
| 194 | K | 97.9 | Very high | 96.9 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -52.3 | 173.7 | -175.3 | -171.4 | 177.6 | -88.7 | 0 | 110.7 | E190 E191 R196 L197 E198 | E190-K194 WeakPolarHBondContact O-CB 3.49Å; E190-K194 PolarHBondContact O-N 2.82Å; E191-K194 PolarHBondContact O-N 3.36Å; K194-R196 PolarHBondContact O-N 3.13Å; K194-L197 WeakPolarHBondContact O-CA 3.48Å; K194-L197 WeakPolarHBondContact O-CB 3.27Å; K194-L197 PolarHBondContact O-N 3.44Å; K194-E198 IonicContact NZ-OE1 2.75Å; K194-E198 IonicContact NZ-OE2 2.7Å; K194-E198 PolarHBondContact NZ-OE2 2.77Å; K194-E198 WeakPolarHBondContact O-CB 3.45Å; K194-E198 PolarHBondContact O-N 3.11Å |
| 195 | L | 97.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -33.8 | -179.6 | -71.7 | 169.4 | 0 | 0 | 0 | 112.6 | E191 A199 | E191-L195 WeakPolarHBondContact O-CB 3.31Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.24Å; E191-L195 PolarHBondContact O-N 2.77Å; L195-A199 VanDerWaalsContact O-CB 3.23Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.39Å |
| 196 | R | 97.9 | Very high | 96.9 | Very high | 174 Ų | 174 | 95 Ų | 95 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68 | -40.8 | 172 | -73.7 | 175.4 | -161.7 | -164.7 | 4.8 | 112.8 | N192 K194 T200 | N192-R196 WeakPolarHBondContact O-CB 3.4Å; N192-R196 VanDerWaalsContact O-CG 3.26Å; N192-R196 WeakPolarHBondContact O-CG 3.27Å; N192-R196 PolarHBondContact O-N 3.19Å; N192-R196 PolarHBondContact OD1-NE 3.45Å; N192-R196 PolarHBondContact OD1-NH2 3.18Å; K194-R196 PolarHBondContact O-N 3.13Å; R196-T200 WeakPolarHBondContact O-CG2 3.27Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 3.19Å |
| 197 | L | 97.6 | Very high | 96.8 | Very high | 93 Ų | 93 | 91.5 Ų | 91.5 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 174.6 | -74 | 176.4 | 0 | 0 | 0 | 111.1 | R193 K194 A199 T200 E201 | R193-L197 VanDerWaalsContact NH1-CD1 3.25Å; R193-L197 PolarHBondContact O-N 2.85Å; R193-L197 VanDerWaalsContact O-N 3.12Å; K194-L197 WeakPolarHBondContact O-CA 3.48Å; K194-L197 WeakPolarHBondContact O-CB 3.27Å; K194-L197 PolarHBondContact O-N 3.44Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.27Å; L197-T200 WeakPolarHBondContact CA-OG1 3.37Å; L197-T200 CarbonylContact O-C 3.55Å; L197-T200 PolarHBondContact O-N 2.81Å; L197-T200 VanDerWaalsContact O-N 3.09Å; L197-T200 PolarHBondContact O-OG1 3.32Å; L197-E201 VanDerWaalsContact O-CB 3.31Å; L197-E201 WeakPolarHBondContact O-CB 3.37Å; L197-E201 PolarHBondContact O-N 3.06Å |
| 198 | E | 97.5 | Very high | 96.8 | Very high | 73 Ų | 73 | 93 Ų | 93 | 34% | 0.341 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.3 | -168.4 | 167.3 | 169.3 | 0 | 0 | 111.4 | K194 E201 L202 | K194-E198 IonicContact NZ-OE1 2.75Å; K194-E198 IonicContact NZ-OE2 2.7Å; K194-E198 PolarHBondContact NZ-OE2 2.77Å; K194-E198 WeakPolarHBondContact O-CB 3.45Å; K194-E198 PolarHBondContact O-N 3.11Å; E198-E201 PolarHBondContact O-N 2.89Å; E198-L202 HydrophobicContact CG-CD1 4.47Å; E198-L202 WeakPolarHBondContact O-CB 3.17Å; E198-L202 VanDerWaalsContact O-CG 3.27Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 2.9Å |
| 199 | A | 96.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L195 L197 S203 | L195-A199 VanDerWaalsContact O-CB 3.23Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.39Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.27Å; A199-S203 WeakPolarHBondContact O-CB 3.12Å; A199-S203 PolarHBondContact O-N 3.25Å |
| 200 | T | 96.8 | Very high | 96.5 | Very high | 85 Ų | 85 | 93.2 Ų | 93.2 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | 174 | 51.1 | 0 | 0 | 0 | 0 | 113 | R196 L197 S203 T204 | R196-T200 WeakPolarHBondContact O-CG2 3.27Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 3.19Å; L197-T200 WeakPolarHBondContact CA-OG1 3.37Å; L197-T200 CarbonylContact O-C 3.55Å; L197-T200 PolarHBondContact O-N 2.81Å; L197-T200 VanDerWaalsContact O-N 3.09Å; L197-T200 PolarHBondContact O-OG1 3.32Å; T200-S203 PolarHBondContact O-N 3.41Å; T200-T204 WeakPolarHBondContact O-CG2 3.48Å; T200-T204 PolarHBondContact O-N 2.92Å; T200-T204 PolarHBondContact O-OG1 3.28Å |
| 201 | E | 97.6 | Very high | 96.4 | Very high | 132 Ų | 132 | 94.2 Ų | 94.2 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.3 | -52.1 | 178 | -176.8 | 167.1 | -156.8 | 0 | 0 | 110.1 | L197 E198 S203 T204 E205 | L197-E201 VanDerWaalsContact O-CB 3.31Å; L197-E201 WeakPolarHBondContact O-CB 3.37Å; L197-E201 PolarHBondContact O-N 3.06Å; E198-E201 PolarHBondContact O-N 2.89Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 2.97Å; E201-T204 PolarHBondContact O-N 3.45Å; E201-T204 VanDerWaalsContact O-N 3.14Å; E201-T204 PolarHBondContact O-OG1 3.3Å; E201-E205 PolarHBondContact O-N 3.25Å |
| 202 | L | 97 | Very high | 96 | Very high | 97 Ų | 97 | 92.7 Ų | 92.7 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 171.1 | -70.9 | 169.1 | 0 | 0 | 0 | 111.6 | E198 T204 E205 T206 | E198-L202 HydrophobicContact CG-CD1 4.47Å; E198-L202 WeakPolarHBondContact O-CB 3.17Å; E198-L202 VanDerWaalsContact O-CG 3.27Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 2.9Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 2.78Å; L202-E205 PolarHBondContact O-N 3.32Å; L202-E205 VanDerWaalsContact O-N 3.13Å; L202-T206 PolarHBondContact O-N 2.89Å; L202-T206 PolarHBondContact O-OG1 3.44Å; L202-T206 VanDerWaalsContact O-OG1 3.1Å |
| 203 | S | 97.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 95.3 Ų | 95.3 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | A199 T200 E201 T207 | A199-S203 WeakPolarHBondContact O-CB 3.12Å; A199-S203 PolarHBondContact O-N 3.25Å; T200-S203 PolarHBondContact O-N 3.41Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 2.97Å; S203-T207 PolarHBondContact O-N 3.34Å; S203-T207 PolarHBondContact O-OG1 3.32Å |
| 204 | T | 96.6 | Very high | 95.5 | Very high | 91 Ų | 91 | 95.6 Ų | 95.6 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.7 | -32 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | T200 E201 L202 T207 N208 | T200-T204 WeakPolarHBondContact O-CG2 3.48Å; T200-T204 PolarHBondContact O-N 2.92Å; T200-T204 PolarHBondContact O-OG1 3.28Å; E201-T204 PolarHBondContact O-N 3.45Å; E201-T204 VanDerWaalsContact O-N 3.14Å; E201-T204 PolarHBondContact O-OG1 3.3Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 2.78Å; T204-T207 WeakPolarHBondContact CA-OG1 3.41Å; T204-T207 PolarHBondContact O-OG1 3.29Å; T204-N208 WeakPolarHBondContact O-CB 3.38Å; T204-N208 PolarHBondContact O-N 3.1Å; T204-N208 VanDerWaalsContact O-N 3.09Å |
| 205 | E | 95.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 95 Ų | 95 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69 | -43.5 | 175.9 | -149.5 | -166.1 | 161.3 | 0 | 0 | 110.6 | E201 L202 N208 Y209 R787 | E201-E205 PolarHBondContact O-N 3.25Å; L202-E205 PolarHBondContact O-N 3.32Å; L202-E205 VanDerWaalsContact O-N 3.13Å; E205-N208 WeakPolarHBondContact O-CB 3.39Å; E205-N208 PolarHBondContact O-N 3.09Å; E205-N208 VanDerWaalsContact O-N 3.12Å; E205-Y209 HydrophobicContact CB-CE2 4.41Å; E205-Y209 HydrophobicContact CG-CD2 4.18Å; E205-Y209 HydrophobicContact CG-CE2 3.58Å; E205-Y209 WeakPolarHBondContact O-CD2 3.44Å; E205-Y209 PolarHBondContact O-N 2.98Å; E205-Y209 WeakPolarHBondContact OE1-CE2 3.47Å; E205-Y209 VanDerWaalsContact OE1-CZ 3.24Å; E205-Y209 PolarHBondContact OE1-OH 3.38Å; E205-R787 IonicContact OE1-NH2 2.69Å |
| 206 | T | 95.1 | Very high | 94.9 | Very high | 72 Ų | 72 | 92 Ų | 92 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55 | -53 | 173.1 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L202 N208 Y209 E210 | L202-T206 PolarHBondContact O-N 2.89Å; L202-T206 PolarHBondContact O-OG1 3.44Å; L202-T206 VanDerWaalsContact O-OG1 3.1Å; T206-N208 PolarHBondContact O-N 2.83Å; T206-Y209 PolarHBondContact O-N 3.28Å; T206-Y209 VanDerWaalsContact O-N 3.09Å; T206-E210 HydrophobicContact CG2-CG 4.45Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.44Å; T206-E210 WeakPolarHBondContact O-CG 3.23Å; T206-E210 PolarHBondContact O-N 3.48Å |
| 207 | T | 95.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 88.9 Ų | 88.9 | 39% | 0.387 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.6 | -33.1 | 177.7 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | S203 T204 E210 E211 | S203-T207 PolarHBondContact O-N 3.34Å; S203-T207 PolarHBondContact O-OG1 3.32Å; T204-T207 WeakPolarHBondContact CA-OG1 3.41Å; T204-T207 PolarHBondContact O-OG1 3.29Å; T207-E210 PolarHBondContact O-N 3.49Å; T207-E211 WeakPolarHBondContact O-CG 3.32Å; T207-E211 PolarHBondContact O-N 2.83Å |
| 208 | N | 95.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 90 Ų | 90 | 34% | 0.337 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -74.1 | -27.9 | 177.9 | -171.4 | -113.6 | 0 | 0 | 0 | 113.3 | T204 E205 T206 Q212 | T204-N208 WeakPolarHBondContact O-CB 3.38Å; T204-N208 PolarHBondContact O-N 3.1Å; T204-N208 VanDerWaalsContact O-N 3.09Å; E205-N208 WeakPolarHBondContact O-CB 3.39Å; E205-N208 PolarHBondContact O-N 3.09Å; E205-N208 VanDerWaalsContact O-N 3.12Å; T206-N208 PolarHBondContact O-N 2.83Å; N208-Q212 WeakPolarHBondContact O-CG 3.43Å; N208-Q212 PolarHBondContact O-N 3.01Å; N208-Q212 PolarHBondContact O-NE2 2.88Å; N208-Q212 PolarHBondContact OD1-NE2 2.76Å |
| 209 | Y | 92.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 86.9 Ų | 86.9 | 43% | 0.431 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.8 | -43.8 | 168.1 | -73 | -63.9 | 0 | 0 | 0 | 111.4 | E205 T206 E211 Q212 E213 R787 | E205-Y209 HydrophobicContact CB-CE2 4.41Å; E205-Y209 HydrophobicContact CG-CD2 4.18Å; E205-Y209 HydrophobicContact CG-CE2 3.58Å; E205-Y209 WeakPolarHBondContact O-CD2 3.44Å; E205-Y209 PolarHBondContact O-N 2.98Å; E205-Y209 WeakPolarHBondContact OE1-CE2 3.47Å; E205-Y209 VanDerWaalsContact OE1-CZ 3.24Å; E205-Y209 PolarHBondContact OE1-OH 3.38Å; T206-Y209 PolarHBondContact O-N 3.28Å; T206-Y209 VanDerWaalsContact O-N 3.09Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; Y209-E211 PolarHBondContact O-N 3.15Å; Y209-Q212 PolarHBondContact O-N 2.73Å; Y209-Q212 VanDerWaalsContact O-N 3.14Å; Y209-E213 PolarHBondContact O-N 2.82Å; Y209-R787 PolarHBondContact OH-NH2 3.47Å |
| 210 | E | 93.8 | Very high | 93.9 | Very high | 98 Ų | 98 | 85.6 Ų | 85.6 | 46% | 0.458 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 177.9 | -70.8 | 171.5 | 175.5 | 0 | 0 | 111.9 | T206 T207 E213 Q214 | T206-E210 HydrophobicContact CG2-CG 4.45Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.44Å; T206-E210 WeakPolarHBondContact O-CG 3.23Å; T206-E210 PolarHBondContact O-N 3.48Å; T207-E210 PolarHBondContact O-N 3.49Å; E210-E213 PolarHBondContact O-N 3.05Å; E210-Q214 WeakPolarHBondContact O-CB 3.33Å; E210-Q214 VanDerWaalsContact O-CG 3.24Å; E210-Q214 WeakPolarHBondContact O-CG 3.49Å; E210-Q214 PolarHBondContact O-N 3.18Å; E210-Q214 PolarHBondContact O-NE2 3.15Å |
| 211 | E | 94.5 | Very high | 93.9 | Very high | 122 Ų | 122 | 85.6 Ų | 85.6 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 173.3 | -75.3 | 174.4 | 165.8 | 0 | 0 | 112.2 | T207 Y209 Q214 E215 | T207-E211 WeakPolarHBondContact O-CG 3.32Å; T207-E211 PolarHBondContact O-N 2.83Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; Y209-E211 PolarHBondContact O-N 3.15Å; E211-Q214 PolarHBondContact O-N 2.71Å; E211-E215 PolarHBondContact O-N 2.85Å |
| 212 | Q | 90.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 83.4 Ų | 83.4 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.6 | -78.7 | 170.1 | 69.5 | 0 | 0 | 112.7 | N208 Y209 E215 L216 | N208-Q212 WeakPolarHBondContact O-CG 3.43Å; N208-Q212 PolarHBondContact O-N 3.01Å; N208-Q212 PolarHBondContact O-NE2 2.88Å; N208-Q212 PolarHBondContact OD1-NE2 2.76Å; Y209-Q212 PolarHBondContact O-N 2.73Å; Y209-Q212 VanDerWaalsContact O-N 3.14Å; Q212-E215 PolarHBondContact O-N 3.03Å; Q212-L216 WeakPolarHBondContact O-CB 3.43Å; Q212-L216 PolarHBondContact O-N 2.75Å |
| 213 | E | 88.6 | Confident | 93.5 | Very high | 127 Ų | 127 | 79.9 Ų | 79.9 | 59% | 0.593 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.4 | -39.2 | 175.7 | -171.9 | 176.7 | 167.6 | 0 | 0 | 111.1 | Y209 E210 L216 M217 | Y209-E213 PolarHBondContact O-N 2.82Å; E210-E213 PolarHBondContact O-N 3.05Å; E213-L216 PolarHBondContact O-N 2.9Å; E213-M217 VanDerWaalsContact O-CB 3.29Å; E213-M217 WeakPolarHBondContact O-CB 3.37Å; E213-M217 PolarHBondContact O-N 2.71Å |
| 214 | Q | 93.8 | Very high | 93.2 | Very high | 124 Ų | 124 | 81 Ų | 81 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 174.1 | -73.7 | 170.1 | 51 | 0 | 0 | 112.2 | E210 E211 M217 M218 | E210-Q214 WeakPolarHBondContact O-CB 3.33Å; E210-Q214 VanDerWaalsContact O-CG 3.24Å; E210-Q214 WeakPolarHBondContact O-CG 3.49Å; E210-Q214 PolarHBondContact O-N 3.18Å; E210-Q214 PolarHBondContact O-NE2 3.15Å; E211-Q214 PolarHBondContact O-N 2.71Å; Q214-M217 PolarHBondContact O-N 3.15Å; Q214-M218 WeakPolarHBondContact O-CG 3.36Å; Q214-M218 PolarHBondContact O-N 3.32Å |
| 215 | E | 92.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 79.9 Ų | 79.9 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.8 | -171.1 | 172.2 | -176.8 | 0 | 0 | 111.5 | E211 Q212 M217 M218 V219 W782 | E211-E215 PolarHBondContact O-N 2.85Å; Q212-E215 PolarHBondContact O-N 3.03Å; E215-M217 PolarHBondContact O-N 3.01Å; E215-M218 WeakPolarHBondContact O-CB 3.29Å; E215-M218 PolarHBondContact O-N 3.44Å; E215-V219 WeakPolarHBondContact O-CG2 3.4Å; E215-V219 PolarHBondContact O-N 3.42Å; E215-W782 HydrophobicContact CB-CH2 4.35Å; E215-W782 VanDerWaalsContact CD-CZ2 3.47Å; E215-W782 HydrophobicContact CG-CH2 3.85Å; E215-W782 HydrophobicContact CG-CZ2 3.89Å; E215-W782 WeakPolarHBondContact OE1-CZ2 3.33Å; E215-W782 WeakPolarHBondContact OE2-CH2 3.41Å |
| 216 | L | 89.9 | Confident | 93.1 | Very high | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.199 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 174.3 | -177.4 | 71.7 | 0 | 0 | 0 | 111.9 | Q212 E213 M218 V219 C220 F763 V779 W782 | Q212-L216 WeakPolarHBondContact O-CB 3.43Å; Q212-L216 PolarHBondContact O-N 2.75Å; E213-L216 PolarHBondContact O-N 2.9Å; L216-M218 VanDerWaalsContact C-N 3.34Å; L216-M218 PolarHBondContact O-N 3.36Å; L216-V219 PolarHBondContact O-N 2.93Å; L216-C220 PolarHBondContact O-N 2.89Å; L216-C220 PolarHBondContact O-SG 2.79Å; L216-F763 HydrophobicContact CD1-CZ 4.19Å; L216-F763 HydrophobicContact CD2-CE1 4.46Å; L216-F763 HydrophobicContact CD2-CZ 3.87Å; L216-V779 HydrophobicContact CD1-CG1 3.91Å; L216-W782 HydrophobicContact CD1-CB 4Å; L216-W782 HydrophobicContact CD1-CG 4.47Å |
| 217 | M | 92.3 | Very high | 93 | Very high | 108 Ų | 108 | 77.6 Ų | 77.6 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 177.9 | -171.4 | -177.3 | -61.1 | 0 | 0 | 111.7 | E213 Q214 E215 C220 V221 | E213-M217 VanDerWaalsContact O-CB 3.29Å; E213-M217 WeakPolarHBondContact O-CB 3.37Å; E213-M217 PolarHBondContact O-N 2.71Å; Q214-M217 PolarHBondContact O-N 3.15Å; E215-M217 PolarHBondContact O-N 3.01Å; M217-C220 WeakPolarHBondContact O-CB 3.39Å; M217-C220 PolarHBondContact O-N 3.5Å; M217-V221 WeakPolarHBondContact O-CG2 3.43Å; M217-V221 PolarHBondContact O-N 3.05Å |
| 218 | M | 93.2 | Very high | 93 | Very high | 116 Ų | 116 | 79.6 Ų | 79.6 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 172.4 | -74.3 | -64.9 | -62.3 | 0 | 0 | 111.5 | Q214 E215 L216 C220 V221 E222 | Q214-M218 WeakPolarHBondContact O-CG 3.36Å; Q214-M218 PolarHBondContact O-N 3.32Å; E215-M218 WeakPolarHBondContact O-CB 3.29Å; E215-M218 PolarHBondContact O-N 3.44Å; L216-M218 VanDerWaalsContact C-N 3.34Å; L216-M218 PolarHBondContact O-N 3.36Å; M218-C220 VanDerWaalsContact C-N 3.35Å; M218-C220 PolarHBondContact O-N 2.89Å; M218-V221 PolarHBondContact O-N 2.9Å; M218-E222 WeakPolarHBondContact O-CG 3.31Å; M218-E222 PolarHBondContact O-N 2.65Å |
| 219 | V | 93.3 | Very high | 93 | Very high | 8 Ų | 8 | 82.6 Ų | 82.6 | 5% | 0.048 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | E215 L216 E222 E223 R778 V779 | E215-V219 WeakPolarHBondContact O-CG2 3.4Å; E215-V219 PolarHBondContact O-N 3.42Å; L216-V219 PolarHBondContact O-N 2.93Å; V219-E222 PolarHBondContact O-N 2.98Å; V219-E223 PolarHBondContact O-N 3.42Å; V219-R778 HydrophobicContact CG1-CB 3.64Å; V219-V779 HydrophobicContact CG1-CG2 3.89Å |
| 220 | C | 91.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 82.7 Ų | 82.7 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 172.7 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | L216 M217 M218 E223 L224 V779 | L216-C220 PolarHBondContact O-N 2.89Å; L216-C220 PolarHBondContact O-SG 2.79Å; M217-C220 WeakPolarHBondContact O-CB 3.39Å; M217-C220 PolarHBondContact O-N 3.5Å; M218-C220 VanDerWaalsContact C-N 3.35Å; M218-C220 PolarHBondContact O-N 2.89Å; C220-E223 PolarHBondContact O-N 2.96Å; C220-L224 WeakPolarHBondContact O-CB 3.19Å; C220-L224 VanDerWaalsContact O-CG 3.28Å; C220-L224 WeakPolarHBondContact O-CG 3.49Å; C220-L224 PolarHBondContact O-N 2.63Å; C220-V779 HydrophobicContact CB-CG2 4.14Å; C220-V779 VanDerWaalsContact SG-CG1 3.59Å; C220-V779 WeakPolarHBondContact SG-CG2 3.34Å |
| 221 | V | 95.3 | Very high | 93.4 | Very high | 85 Ų | 85 | 82.5 Ų | 82.5 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | -179.7 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | M217 M218 S225 | M217-V221 WeakPolarHBondContact O-CG2 3.43Å; M217-V221 PolarHBondContact O-N 3.05Å; M218-V221 PolarHBondContact O-N 2.9Å; V221-S225 VanDerWaalsContact O-CB 3.27Å; V221-S225 WeakPolarHBondContact O-CB 3.48Å; V221-S225 PolarHBondContact O-N 2.82Å; V221-S225 PolarHBondContact O-OG 2.88Å |
| 222 | E | 94.3 | Very high | 93.6 | Very high | 87 Ų | 87 | 79.6 Ų | 79.6 | 41% | 0.407 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 173.8 | -76.2 | -178.5 | 166.4 | 0 | 0 | 112.1 | M218 V219 S225 S226 R778 | M218-E222 WeakPolarHBondContact O-CG 3.31Å; M218-E222 PolarHBondContact O-N 2.65Å; V219-E222 PolarHBondContact O-N 2.98Å; E222-S225 PolarHBondContact O-N 3.44Å; E222-S225 PolarHBondContact O-OG 3.06Å; E222-S226 WeakPolarHBondContact O-CB 3.39Å; E222-S226 PolarHBondContact O-N 3.41Å; E222-R778 IonicContact OE2-CZ 3.27Å; E222-R778 IonicContact OE2-NH1 3.64Å; E222-R778 PolarHBondContact OE2-NH1 3.45Å; E222-R778 IonicContact OE2-NH2 2.72Å; E222-R778 PolarHBondContact OE2-NH2 2.87Å |
| 223 | E | 92.9 | Very high | 94 | Very high | 23 Ų | 23 | 80.3 Ų | 80.3 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | -179.8 | -70.6 | -158 | 117.9 | 0 | 0 | 112.3 | V219 C220 S225 S226 A227 L776 H777 R778 V779 | V219-E223 PolarHBondContact O-N 3.42Å; C220-E223 PolarHBondContact O-N 2.96Å; E223-S225 VanDerWaalsContact C-N 3.33Å; E223-S225 PolarHBondContact O-N 3.08Å; E223-S226 PolarHBondContact O-N 2.87Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 2.99Å; E223-L776 HydrophobicContact CB-CD2 3.73Å; E223-L776 VanDerWaalsContact OE2-CA 3.23Å; E223-L776 WeakPolarHBondContact OE2-CA 3.4Å; E223-H777 PolarHBondContact OE1-N 3.41Å; E223-H777 PolarHBondContact OE2-N 2.8Å; E223-H777 VanDerWaalsContact OE2-N 3.15Å; E223-R778 VanDerWaalsContact CD-CB 3.42Å; E223-R778 HydrophobicContact CG-CB 4.18Å; E223-R778 HydrophobicContact CG-CG 4.35Å; E223-R778 WeakPolarHBondContact OE1-CB 3.47Å; E223-R778 WeakPolarHBondContact OE1-CD 3.23Å; E223-R778 WeakPolarHBondContact OE1-CG 3.37Å; E223-R778 PolarHBondContact OE1-N 3.13Å; E223-R778 WeakPolarHBondContact OE2-CA 3.49Å; E223-R778 WeakPolarHBondContact OE2-CB 3.23Å; E223-R778 PolarHBondContact OE2-N 3.12Å; E223-V779 WeakPolarHBondContact OE2-CG2 3.28Å; E223-V779 PolarHBondContact OE2-N 3Å |
| 224 | L | 91.8 | Very high | 94.4 | Very high | 94 Ų | 94 | 79.7 Ų | 79.7 | 49% | 0.492 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 172.6 | -71.7 | 171.7 | 0 | 0 | 0 | 112 | C220 A227 N228 L776 | C220-L224 WeakPolarHBondContact O-CB 3.19Å; C220-L224 VanDerWaalsContact O-CG 3.28Å; C220-L224 WeakPolarHBondContact O-CG 3.49Å; C220-L224 PolarHBondContact O-N 2.63Å; L224-A227 PolarHBondContact O-N 3.44Å; L224-N228 WeakPolarHBondContact O-CB 3.43Å; L224-N228 PolarHBondContact O-N 2.72Å; L224-L776 HydrophobicContact CD2-CD2 3.92Å; L224-L776 HydrophobicContact CG-CD2 3.91Å |
| 225 | S | 95 | Very high | 94.6 | Very high | 69 Ų | 69 | 76.8 Ų | 76.8 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 177.2 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | V221 E222 E223 K229 | V221-S225 VanDerWaalsContact O-CB 3.27Å; V221-S225 WeakPolarHBondContact O-CB 3.48Å; V221-S225 PolarHBondContact O-N 2.82Å; V221-S225 PolarHBondContact O-OG 2.88Å; E222-S225 PolarHBondContact O-N 3.44Å; E222-S225 PolarHBondContact O-OG 3.06Å; E223-S225 VanDerWaalsContact C-N 3.33Å; E223-S225 PolarHBondContact O-N 3.08Å; S225-K229 WeakPolarHBondContact O-CB 3.34Å; S225-K229 PolarHBondContact O-N 2.94Å |
| 226 | S | 93.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 76.1 Ų | 76.1 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | E222 E223 K229 Q230 | E222-S226 WeakPolarHBondContact O-CB 3.39Å; E222-S226 PolarHBondContact O-N 3.41Å; E223-S226 PolarHBondContact O-N 2.87Å; S226-K229 PolarHBondContact O-N 3.17Å; S226-Q230 WeakPolarHBondContact O-CG 3.24Å; S226-Q230 PolarHBondContact O-N 2.98Å; S226-Q230 PolarHBondContact O-NE2 3.21Å; S226-Q230 VanDerWaalsContact O-NE2 3.14Å |
| 227 | A | 93.7 | Very high | 95.3 | Very high | 39 Ų | 39 | 78.9 Ų | 78.9 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E223 L224 K229 Q230 V231 | E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 2.99Å; L224-A227 PolarHBondContact O-N 3.44Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 3.49Å; A227-Q230 WeakPolarHBondContact O-CB 3.33Å; A227-Q230 PolarHBondContact O-N 2.8Å; A227-Q230 VanDerWaalsContact O-N 3.14Å; A227-V231 WeakPolarHBondContact O-CG2 3.38Å; A227-V231 PolarHBondContact O-N 3.27Å |
| 228 | N | 94.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 175.5 | -175.9 | 69.1 | 0 | 0 | 0 | 111.9 | L224 V231 V232 | L224-N228 WeakPolarHBondContact O-CB 3.43Å; L224-N228 PolarHBondContact O-N 2.72Å; N228-V231 PolarHBondContact O-N 3.44Å; N228-V232 WeakPolarHBondContact O-CG2 3.45Å; N228-V232 PolarHBondContact O-N 3.45Å |
| 229 | K | 96.8 | Very high | 95.8 | Very high | 127 Ų | 127 | 77.1 Ų | 77.1 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 172.6 | -170.2 | -167 | 170.3 | -158.9 | 0 | 111.5 | S225 S226 A227 V231 V232 D233 | S225-K229 WeakPolarHBondContact O-CB 3.34Å; S225-K229 PolarHBondContact O-N 2.94Å; S226-K229 PolarHBondContact O-N 3.17Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 3.49Å; K229-V231 VanDerWaalsContact C-N 3.27Å; K229-V231 PolarHBondContact O-N 3.35Å; K229-V232 CarbonylContact O-C 3.57Å; K229-V232 WeakPolarHBondContact O-CA 3.33Å; K229-V232 WeakPolarHBondContact O-CB 3.45Å; K229-V232 PolarHBondContact O-N 3.35Å; K229-D233 VanDerWaalsContact CE-OD2 3.24Å; K229-D233 WeakPolarHBondContact CE-OD2 3.14Å; K229-D233 IonicContact NZ-OD2 3.82Å; K229-D233 PolarHBondContact O-N 2.88Å |
| 230 | Q | 97 | Very high | 96.1 | Very high | 111 Ų | 111 | 82.6 Ų | 82.6 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 177 | -72.6 | 166.5 | 74.6 | 0 | 0 | 112.1 | S226 A227 D233 L234 | S226-Q230 WeakPolarHBondContact O-CG 3.24Å; S226-Q230 PolarHBondContact O-N 2.98Å; S226-Q230 PolarHBondContact O-NE2 3.21Å; S226-Q230 VanDerWaalsContact O-NE2 3.14Å; A227-Q230 WeakPolarHBondContact O-CB 3.33Å; A227-Q230 PolarHBondContact O-N 2.8Å; A227-Q230 VanDerWaalsContact O-N 3.14Å; Q230-D233 PolarHBondContact O-N 3.23Å; Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.42Å; Q230-L234 VanDerWaalsContact O-CG 3.23Å; Q230-L234 WeakPolarHBondContact O-CG 3.34Å; Q230-L234 PolarHBondContact O-N 3.02Å |
| 231 | V | 97.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 86.4 Ų | 86.4 | 58% | 0.576 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | A227 N228 K229 S235 | A227-V231 WeakPolarHBondContact O-CG2 3.38Å; A227-V231 PolarHBondContact O-N 3.27Å; N228-V231 PolarHBondContact O-N 3.44Å; K229-V231 VanDerWaalsContact C-N 3.27Å; K229-V231 PolarHBondContact O-N 3.35Å; V231-S235 VanDerWaalsContact O-CB 3.27Å; V231-S235 WeakPolarHBondContact O-CB 3.44Å; V231-S235 PolarHBondContact O-N 3.02Å; V231-S235 PolarHBondContact O-OG 2.91Å |
| 232 | V | 98.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 88.6 Ų | 88.6 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -53.3 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | N228 K229 L234 S235 E236 | N228-V232 WeakPolarHBondContact O-CG2 3.45Å; N228-V232 PolarHBondContact O-N 3.45Å; K229-V232 CarbonylContact O-C 3.57Å; K229-V232 WeakPolarHBondContact O-CA 3.33Å; K229-V232 WeakPolarHBondContact O-CB 3.45Å; K229-V232 PolarHBondContact O-N 3.35Å; V232-L234 VanDerWaalsContact C-N 3.27Å; V232-L234 PolarHBondContact O-N 3.46Å; V232-S235 WeakPolarHBondContact CA-OG 3.3Å; V232-S235 PolarHBondContact O-N 3.12Å; V232-S235 PolarHBondContact O-OG 3.44Å; V232-E236 PolarHBondContact O-N 2.9Å |
| 233 | D | 98.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55 | -42.2 | -179.4 | -68 | -20 | 0 | 0 | 0 | 111.2 | K229 Q230 E237 | K229-D233 VanDerWaalsContact CE-OD2 3.24Å; K229-D233 WeakPolarHBondContact CE-OD2 3.14Å; K229-D233 IonicContact NZ-OD2 3.82Å; K229-D233 PolarHBondContact O-N 2.88Å; Q230-D233 PolarHBondContact O-N 3.23Å; D233-E237 PolarHBondContact O-N 3.33Å; D233-E237 VanDerWaalsContact O-N 3.11Å |
| 234 | L | 98.3 | Very high | 97.1 | Very high | 113 Ų | 113 | 91.6 Ų | 91.6 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70 | -38.3 | 174.4 | -72.8 | 170.4 | 0 | 0 | 0 | 113.2 | Q230 V232 E236 E237 L238 | Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.42Å; Q230-L234 VanDerWaalsContact O-CG 3.23Å; Q230-L234 WeakPolarHBondContact O-CG 3.34Å; Q230-L234 PolarHBondContact O-N 3.02Å; V232-L234 VanDerWaalsContact C-N 3.27Å; V232-L234 PolarHBondContact O-N 3.46Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-E237 PolarHBondContact O-N 3.44Å; L234-L238 WeakPolarHBondContact O-CB 3.36Å; L234-L238 PolarHBondContact O-N 2.91Å |
| 235 | S | 97.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 91 Ų | 91 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 176.9 | 75.7 | 0 | 0 | 0 | 0 | 111.9 | V231 V232 L238 A239 | V231-S235 VanDerWaalsContact O-CB 3.27Å; V231-S235 WeakPolarHBondContact O-CB 3.44Å; V231-S235 PolarHBondContact O-N 3.02Å; V231-S235 PolarHBondContact O-OG 2.91Å; V232-S235 WeakPolarHBondContact CA-OG 3.3Å; V232-S235 PolarHBondContact O-N 3.12Å; V232-S235 PolarHBondContact O-OG 3.44Å; S235-L238 PolarHBondContact O-N 3.48Å; S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.88Å |
| 236 | E | 98.3 | Very high | 97.5 | Very high | 93 Ų | 93 | 91 Ų | 91 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 171.4 | -67.6 | -169.1 | 178.7 | 0 | 0 | 112 | V232 L234 A239 R240 | V232-E236 PolarHBondContact O-N 2.9Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-A239 PolarHBondContact O-N 2.89Å; E236-R240 WeakPolarHBondContact O-CG 3.2Å; E236-R240 PolarHBondContact O-N 2.96Å; E236-R240 PolarHBondContact O-NE 3.25Å; E236-R240 IonicContact OE2-CZ 2.78Å; E236-R240 IonicContact OE2-NH1 3.7Å; E236-R240 PolarHBondContact OE2-NH1 3.33Å; E236-R240 IonicContact OE2-NH2 3.23Å |
| 237 | E | 98.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 93.3 Ų | 93.3 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 175.2 | -175.9 | 163.4 | -158.4 | 0 | 0 | 111.3 | D233 L234 A239 R240 K241 | D233-E237 PolarHBondContact O-N 3.33Å; D233-E237 VanDerWaalsContact O-N 3.11Å; L234-E237 PolarHBondContact O-N 3.44Å; E237-A239 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 3.44Å; E237-R240 PolarHBondContact O-N 2.97Å; E237-K241 HydrophobicContact CG-CG 4.43Å; E237-K241 WeakPolarHBondContact O-CG 3.43Å; E237-K241 PolarHBondContact O-N 2.76Å |
| 238 | L | 98.4 | Very high | 98 | Very high | 128 Ų | 128 | 96.8 Ų | 96.8 | 67% | 0.67 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 172.3 | -178.1 | 61.3 | 0 | 0 | 0 | 111.8 | L234 S235 K241 M242 | L234-L238 WeakPolarHBondContact O-CB 3.36Å; L234-L238 PolarHBondContact O-N 2.91Å; S235-L238 PolarHBondContact O-N 3.48Å; L238-K241 PolarHBondContact O-N 2.75Å; L238-M242 WeakPolarHBondContact O-CB 3.45Å; L238-M242 PolarHBondContact O-N 2.82Å |
| 239 | A | 98.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 97.4 Ų | 97.4 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S235 E236 E237 K241 M242 E243 | S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.88Å; E236-A239 PolarHBondContact O-N 2.89Å; E237-A239 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 3.44Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.32Å; A239-M242 WeakPolarHBondContact O-CB 3.5Å; A239-M242 PolarHBondContact O-N 2.85Å; A239-M242 VanDerWaalsContact O-N 3.17Å; A239-E243 PolarHBondContact O-N 3.23Å |
| 240 | R | 98.5 | Very high | 98.2 | Very high | 122 Ų | 122 | 97.2 Ų | 97.2 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 173.5 | -73.1 | 179.6 | -74.7 | -100.4 | 0.5 | 111.6 | E236 E237 E243 D244 | E236-R240 WeakPolarHBondContact O-CG 3.2Å; E236-R240 PolarHBondContact O-N 2.96Å; E236-R240 PolarHBondContact O-NE 3.25Å; E236-R240 IonicContact OE2-CZ 2.78Å; E236-R240 IonicContact OE2-NH1 3.7Å; E236-R240 PolarHBondContact OE2-NH1 3.33Å; E236-R240 IonicContact OE2-NH2 3.23Å; E237-R240 PolarHBondContact O-N 2.97Å; R240-E243 PolarHBondContact O-N 2.72Å; R240-D244 PolarHBondContact O-N 2.71Å |
| 241 | K | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -34 | 174.9 | -66.6 | -58.9 | 175.4 | -161.6 | 0 | 113.1 | E237 L238 A239 D244 T245 | E237-K241 HydrophobicContact CG-CG 4.43Å; E237-K241 WeakPolarHBondContact O-CG 3.43Å; E237-K241 PolarHBondContact O-N 2.76Å; L238-K241 PolarHBondContact O-N 2.75Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.32Å; K241-D244 PolarHBondContact O-N 2.66Å; K241-T245 WeakPolarHBondContact O-CG2 3.33Å; K241-T245 PolarHBondContact O-N 2.69Å; K241-T245 PolarHBondContact O-OG1 2.75Å |
| 242 | M | 98.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 97.5 Ų | 97.5 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 173.6 | -174 | 175.7 | 177.8 | 0 | 0 | 111.6 | L238 A239 T245 V246 | L238-M242 WeakPolarHBondContact O-CB 3.45Å; L238-M242 PolarHBondContact O-N 2.82Å; A239-M242 WeakPolarHBondContact O-CB 3.5Å; A239-M242 PolarHBondContact O-N 2.85Å; A239-M242 VanDerWaalsContact O-N 3.17Å; M242-T245 PolarHBondContact O-N 2.76Å; M242-T245 PolarHBondContact O-OG1 3.37Å; M242-T245 VanDerWaalsContact O-OG1 3.12Å; M242-V246 VanDerWaalsContact O-CG2 3.32Å; M242-V246 WeakPolarHBondContact O-CG2 3.32Å; M242-V246 PolarHBondContact O-N 2.69Å |
| 243 | E | 98.5 | Very high | 98.4 | Very high | 117 Ų | 117 | 98 Ų | 98 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 173.6 | -159.5 | -159 | 127.1 | 0 | 0 | 111.4 | A239 R240 T245 V246 R247 | A239-E243 PolarHBondContact O-N 3.23Å; R240-E243 PolarHBondContact O-N 2.72Å; E243-T245 PolarHBondContact O-N 2.87Å; E243-V246 PolarHBondContact O-N 3.33Å; E243-R247 WeakPolarHBondContact O-CB 3.43Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 IonicContact OE1-CZ 3.29Å; E243-R247 IonicContact OE1-NE 3.77Å; E243-R247 IonicContact OE1-NH2 2.76Å; E243-R247 PolarHBondContact OE1-NH2 2.85Å |
| 244 | D | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 98.4 Ų | 98.4 | 30% | 0.299 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 175.6 | -76.6 | -19.2 | 0 | 0 | 0 | 112.6 | R240 K241 R247 Q248 | R240-D244 PolarHBondContact O-N 2.71Å; K241-D244 PolarHBondContact O-N 2.66Å; D244-R247 PolarHBondContact O-N 3.25Å; D244-R247 IonicContact OD1-CZ 3.38Å; D244-R247 IonicContact OD1-NH1 3.84Å; D244-R247 PolarHBondContact OD1-NH1 3.31Å; D244-R247 IonicContact OD1-NH2 2.77Å; D244-R247 PolarHBondContact OD1-NH2 2.94Å; D244-Q248 VanDerWaalsContact O-CG 3.31Å; D244-Q248 WeakPolarHBondContact O-CG 3.43Å; D244-Q248 PolarHBondContact O-N 3.42Å |
| 245 | T | 98 | Very high | 98.4 | Very high | 80 Ų | 80 | 96.9 Ų | 96.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.9 | -33.3 | 178.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | K241 M242 E243 Q248 Q249 | K241-T245 WeakPolarHBondContact O-CG2 3.33Å; K241-T245 PolarHBondContact O-N 2.69Å; K241-T245 PolarHBondContact O-OG1 2.75Å; M242-T245 PolarHBondContact O-N 2.76Å; M242-T245 PolarHBondContact O-OG1 3.37Å; M242-T245 VanDerWaalsContact O-OG1 3.12Å; E243-T245 PolarHBondContact O-N 2.87Å; T245-Q248 PolarHBondContact O-N 3.48Å; T245-Q249 WeakPolarHBondContact O-CB 3.49Å; T245-Q249 PolarHBondContact O-N 3.11Å |
| 246 | V | 98.3 | Very high | 98.5 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 170 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | M242 E243 Q248 Q249 E250 | M242-V246 VanDerWaalsContact O-CG2 3.32Å; M242-V246 WeakPolarHBondContact O-CG2 3.32Å; M242-V246 PolarHBondContact O-N 2.69Å; E243-V246 PolarHBondContact O-N 3.33Å; V246-Q248 VanDerWaalsContact C-N 3.31Å; V246-Q248 PolarHBondContact O-N 2.89Å; V246-Q249 WeakPolarHBondContact O-CA 3.21Å; V246-Q249 WeakPolarHBondContact O-CB 3.27Å; V246-Q249 PolarHBondContact O-N 3.46Å; V246-E250 WeakPolarHBondContact O-CG 3.3Å; V246-E250 PolarHBondContact O-N 2.9Å |
| 247 | R | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 96.7 Ų | 96.7 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 178.5 | -150.7 | -177.1 | -50 | 106.3 | 0.5 | 112.4 | E243 D244 E251 | E243-R247 WeakPolarHBondContact O-CB 3.43Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 IonicContact OE1-CZ 3.29Å; E243-R247 IonicContact OE1-NE 3.77Å; E243-R247 IonicContact OE1-NH2 2.76Å; E243-R247 PolarHBondContact OE1-NH2 2.85Å; D244-R247 PolarHBondContact O-N 3.25Å; D244-R247 IonicContact OD1-CZ 3.38Å; D244-R247 IonicContact OD1-NH1 3.84Å; D244-R247 PolarHBondContact OD1-NH1 3.31Å; D244-R247 IonicContact OD1-NH2 2.77Å; D244-R247 PolarHBondContact OD1-NH2 2.94Å; R247-E251 PolarHBondContact O-N 3.27Å |
| 248 | Q | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 97.5 Ų | 97.5 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 171.9 | -73.1 | 172 | -1.7 | 0 | 0 | 112.2 | D244 T245 V246 E250 E251 I252 | D244-Q248 VanDerWaalsContact O-CG 3.31Å; D244-Q248 WeakPolarHBondContact O-CG 3.43Å; D244-Q248 PolarHBondContact O-N 3.42Å; T245-Q248 PolarHBondContact O-N 3.48Å; V246-Q248 VanDerWaalsContact C-N 3.31Å; V246-Q248 PolarHBondContact O-N 2.89Å; Q248-E250 VanDerWaalsContact C-N 3.33Å; Q248-E250 PolarHBondContact O-N 3.24Å; Q248-E251 PolarHBondContact O-N 3.37Å; Q248-I252 WeakPolarHBondContact O-CB 3.44Å; Q248-I252 WeakPolarHBondContact O-CD1 3.47Å; Q248-I252 VanDerWaalsContact O-CG1 3.23Å; Q248-I252 WeakPolarHBondContact O-CG1 3.48Å; Q248-I252 PolarHBondContact O-N 3.47Å |
| 249 | Q | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 176.9 | -177.4 | 56.2 | 70 | 0 | 0 | 112.3 | T245 V246 S253 | T245-Q249 WeakPolarHBondContact O-CB 3.49Å; T245-Q249 PolarHBondContact O-N 3.11Å; V246-Q249 WeakPolarHBondContact O-CA 3.21Å; V246-Q249 WeakPolarHBondContact O-CB 3.27Å; V246-Q249 PolarHBondContact O-N 3.46Å; Q249-S253 VanDerWaalsContact O-CB 3.31Å; Q249-S253 WeakPolarHBondContact O-CB 3.48Å; Q249-S253 PolarHBondContact O-N 3.46Å |
| 250 | E | 98.5 | Very high | 98.5 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 170.7 | -70.7 | 177.6 | 162.1 | 0 | 0 | 111.9 | V246 Q248 S253 S254 | V246-E250 WeakPolarHBondContact O-CG 3.3Å; V246-E250 PolarHBondContact O-N 2.9Å; Q248-E250 VanDerWaalsContact C-N 3.33Å; Q248-E250 PolarHBondContact O-N 3.24Å; E250-S253 WeakPolarHBondContact O-CB 3.49Å; E250-S253 PolarHBondContact O-N 2.87Å; E250-S254 WeakPolarHBondContact O-CB 3.3Å; E250-S254 PolarHBondContact O-N 3.34Å |
| 251 | E | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 96.7 Ų | 96.7 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -46.4 | 175.4 | -174.4 | 176.8 | -177 | 0 | 0 | 111.5 | R247 Q248 S253 S254 L255 | R247-E251 PolarHBondContact O-N 3.27Å; Q248-E251 PolarHBondContact O-N 3.37Å; E251-S253 VanDerWaalsContact C-N 3.32Å; E251-S253 PolarHBondContact O-N 3.2Å; E251-S254 WeakPolarHBondContact O-CB 3.31Å; E251-S254 PolarHBondContact O-N 3.49Å; E251-L255 HydrophobicContact CG-CD1 4.05Å; E251-L255 HydrophobicContact CG-CG 4.48Å; E251-L255 WeakPolarHBondContact O-CB 3.5Å; E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.5Å; E251-L255 PolarHBondContact O-N 3.25Å |
| 252 | I | 98.6 | Very high | 98.6 | Very high | 88 Ų | 88 | 94.8 Ų | 94.8 | 45% | 0.451 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 175.2 | -69.9 | 164.2 | 0 | 0 | 0 | 110.8 | Q248 L255 L256 | Q248-I252 WeakPolarHBondContact O-CB 3.44Å; Q248-I252 WeakPolarHBondContact O-CD1 3.47Å; Q248-I252 VanDerWaalsContact O-CG1 3.23Å; Q248-I252 WeakPolarHBondContact O-CG1 3.48Å; Q248-I252 PolarHBondContact O-N 3.47Å; I252-L255 PolarHBondContact O-N 3.23Å; I252-L256 HydrophobicContact CG2-CD1 3.89Å; I252-L256 HydrophobicContact CG2-CG 4.43Å; I252-L256 WeakPolarHBondContact O-CB 3.4Å; I252-L256 VanDerWaalsContact O-CG 3.24Å; I252-L256 WeakPolarHBondContact O-CG 3.47Å; I252-L256 PolarHBondContact O-N 3.38Å |
| 253 | S | 98.5 | Very high | 98.6 | Very high | 70 Ų | 70 | 93.8 Ų | 93.8 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 177 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | Q249 E250 E251 L256 A257 | Q249-S253 VanDerWaalsContact O-CB 3.31Å; Q249-S253 WeakPolarHBondContact O-CB 3.48Å; Q249-S253 PolarHBondContact O-N 3.46Å; E250-S253 WeakPolarHBondContact O-CB 3.49Å; E250-S253 PolarHBondContact O-N 2.87Å; E251-S253 VanDerWaalsContact C-N 3.32Å; E251-S253 PolarHBondContact O-N 3.2Å; S253-L256 PolarHBondContact O-N 2.94Å; S253-A257 PolarHBondContact O-N 3.44Å |
| 254 | S | 98.7 | Very high | 98.6 | Very high | 78 Ų | 78 | 90.9 Ų | 90.9 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | E250 E251 A257 Q258 | E250-S254 WeakPolarHBondContact O-CB 3.3Å; E250-S254 PolarHBondContact O-N 3.34Å; E251-S254 WeakPolarHBondContact O-CB 3.31Å; E251-S254 PolarHBondContact O-N 3.49Å; S254-A257 PolarHBondContact O-N 3.21Å; S254-Q258 PolarHBondContact O-N 3.24Å |
| 255 | L | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 95.5 Ų | 95.5 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 176 | -69.8 | 171.4 | 0 | 0 | 0 | 111.9 | E251 I252 Q258 I259 | E251-L255 HydrophobicContact CG-CD1 4.05Å; E251-L255 HydrophobicContact CG-CG 4.48Å; E251-L255 WeakPolarHBondContact O-CB 3.5Å; E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.5Å; E251-L255 PolarHBondContact O-N 3.25Å; I252-L255 PolarHBondContact O-N 3.23Å; L255-Q258 PolarHBondContact O-N 3.18Å; L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 2.92Å |
| 256 | L | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 95.6 Ų | 95.6 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.6 | -74.4 | 169.8 | 0 | 0 | 0 | 112 | I252 S253 I259 V260 | I252-L256 HydrophobicContact CG2-CD1 3.89Å; I252-L256 HydrophobicContact CG2-CG 4.43Å; I252-L256 WeakPolarHBondContact O-CB 3.4Å; I252-L256 VanDerWaalsContact O-CG 3.24Å; I252-L256 WeakPolarHBondContact O-CG 3.47Å; I252-L256 PolarHBondContact O-N 3.38Å; S253-L256 PolarHBondContact O-N 2.94Å; L256-I259 PolarHBondContact O-N 3.45Å; L256-V260 WeakPolarHBondContact O-CG2 3.23Å; L256-V260 PolarHBondContact O-N 3.38Å |
| 257 | A | 98.5 | Very high | 98.6 | Very high | 53 Ų | 53 | 97.7 Ų | 97.7 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S253 S254 I259 V260 D261 | S253-A257 PolarHBondContact O-N 3.44Å; S254-A257 PolarHBondContact O-N 3.21Å; A257-I259 VanDerWaalsContact C-N 3.31Å; A257-I259 PolarHBondContact O-N 3.43Å; A257-V260 PolarHBondContact O-N 3.44Å; A257-V260 VanDerWaalsContact O-N 3.14Å; A257-D261 PolarHBondContact O-N 2.85Å |
| 258 | Q | 98.8 | Very high | 98.6 | Very high | 115 Ų | 115 | 93.9 Ų | 93.9 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.8 | -171.6 | -179.5 | 109.1 | 0 | 0 | 112.6 | S254 L255 D261 L262 | S254-Q258 PolarHBondContact O-N 3.24Å; L255-Q258 PolarHBondContact O-N 3.18Å; Q258-D261 PolarHBondContact O-N 2.87Å; Q258-L262 HydrophobicContact CG-CD1 4.17Å; Q258-L262 WeakPolarHBondContact O-CB 3.46Å; Q258-L262 WeakPolarHBondContact O-CG 3.24Å; Q258-L262 PolarHBondContact O-N 3.29Å |
| 259 | I | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 93.8 Ų | 93.8 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.7 | -72.3 | 163.9 | 0 | 0 | 0 | 110.9 | L255 L256 A257 L262 Q263 | L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 2.92Å; L256-I259 PolarHBondContact O-N 3.45Å; A257-I259 VanDerWaalsContact C-N 3.31Å; A257-I259 PolarHBondContact O-N 3.43Å; I259-L262 PolarHBondContact O-N 2.89Å; I259-Q263 WeakPolarHBondContact O-CB 3.29Å; I259-Q263 PolarHBondContact O-N 2.84Å |
| 260 | V | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 90.9 Ų | 90.9 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L256 A257 L262 Q263 A264 | L256-V260 WeakPolarHBondContact O-CG2 3.23Å; L256-V260 PolarHBondContact O-N 3.38Å; A257-V260 PolarHBondContact O-N 3.44Å; A257-V260 VanDerWaalsContact O-N 3.14Å; V260-L262 PolarHBondContact O-N 3.38Å; V260-Q263 PolarHBondContact O-N 2.87Å; V260-A264 WeakPolarHBondContact O-CB 3.32Å; V260-A264 PolarHBondContact O-N 2.84Å |
| 261 | D | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 90.6 Ų | 90.6 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 176.7 | -78.2 | -16.1 | 0 | 0 | 0 | 113 | A257 Q258 R265 | A257-D261 PolarHBondContact O-N 2.85Å; Q258-D261 PolarHBondContact O-N 2.87Å; D261-R265 WeakPolarHBondContact O-CG 3.19Å; D261-R265 PolarHBondContact O-N 2.88Å; D261-R265 VanDerWaalsContact O-N 3.11Å; D261-R265 PolarHBondContact O-NE 2.74Å |
| 262 | L | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 90.1 Ų | 90.1 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 170.5 | -81.3 | 163.8 | 0 | 0 | 0 | 110.9 | Q258 I259 V260 A264 R265 C266 | Q258-L262 HydrophobicContact CG-CD1 4.17Å; Q258-L262 WeakPolarHBondContact O-CB 3.46Å; Q258-L262 WeakPolarHBondContact O-CG 3.24Å; Q258-L262 PolarHBondContact O-N 3.29Å; I259-L262 PolarHBondContact O-N 2.89Å; V260-L262 PolarHBondContact O-N 3.38Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.33Å; L262-R265 VanDerWaalsContact CD2-NH2 3.29Å; L262-R265 PolarHBondContact O-N 3.35Å; L262-C266 WeakPolarHBondContact O-CB 3.35Å; L262-C266 PolarHBondContact O-N 3.4Å; L262-C266 PolarHBondContact O-SG 2.81Å |
| 263 | Q | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 91.1 Ų | 91.1 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 179.4 | -162.9 | -170.8 | 39.6 | 0 | 0 | 111.9 | I259 V260 K267 | I259-Q263 WeakPolarHBondContact O-CB 3.29Å; I259-Q263 PolarHBondContact O-N 2.84Å; V260-Q263 PolarHBondContact O-N 2.87Å; Q263-K267 WeakPolarHBondContact O-CB 3.41Å; Q263-K267 VanDerWaalsContact O-CG 3.32Å; Q263-K267 WeakPolarHBondContact O-CG 3.27Å; Q263-K267 PolarHBondContact O-N 3Å |
| 264 | A | 98.5 | Very high | 98.6 | Very high | 56 Ų | 56 | 92.2 Ų | 92.2 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V260 L262 K267 G268 | V260-A264 WeakPolarHBondContact O-CB 3.32Å; V260-A264 PolarHBondContact O-N 2.84Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.33Å; A264-K267 PolarHBondContact O-N 3.47Å; A264-G268 PolarHBondContact O-N 2.91Å |
| 265 | R | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 93.1 Ų | 93.1 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 175.3 | -74.3 | -176.5 | -68.8 | 155.9 | -7.4 | 112.9 | D261 L262 K267 G268 L269 | D261-R265 WeakPolarHBondContact O-CG 3.19Å; D261-R265 PolarHBondContact O-N 2.88Å; D261-R265 VanDerWaalsContact O-N 3.11Å; D261-R265 PolarHBondContact O-NE 2.74Å; L262-R265 VanDerWaalsContact CD2-NH2 3.29Å; L262-R265 PolarHBondContact O-N 3.35Å; R265-K267 VanDerWaalsContact C-N 3.32Å; R265-K267 PolarHBondContact O-N 2.9Å; R265-G268 PolarHBondContact O-N 2.96Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.05Å |
| 266 | C | 98.4 | Very high | 98.5 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 174.8 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | L262 S270 | L262-C266 WeakPolarHBondContact O-CB 3.35Å; L262-C266 PolarHBondContact O-N 3.4Å; L262-C266 PolarHBondContact O-SG 2.81Å; C266-S270 PolarHBondContact O-N 3.41Å; C266-S270 VanDerWaalsContact O-N 3.08Å |
| 267 | K | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 171.8 | -76 | 168.3 | 178.7 | 171.3 | 0 | 111.4 | Q263 A264 R265 L269 S270 H271 | Q263-K267 WeakPolarHBondContact O-CB 3.41Å; Q263-K267 VanDerWaalsContact O-CG 3.32Å; Q263-K267 WeakPolarHBondContact O-CG 3.27Å; Q263-K267 PolarHBondContact O-N 3Å; A264-K267 PolarHBondContact O-N 3.47Å; R265-K267 VanDerWaalsContact C-N 3.32Å; R265-K267 PolarHBondContact O-N 2.9Å; K267-L269 PolarHBondContact O-N 2.98Å; K267-S270 WeakPolarHBondContact O-CB 3.46Å; K267-S270 PolarHBondContact O-N 3.38Å; K267-S270 VanDerWaalsContact O-N 3.15Å; K267-H271 PolarHBondContact O-N 3.27Å; K267-H271 VanDerWaalsContact O-N 3.14Å; K267-H271 PolarHBondContact O-ND1 3.36Å |
| 268 | G | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 97.2 Ų | 97.2 | 32% | 0.32 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.1 | -50.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A264 R265 S270 H271 E272 | A264-G268 PolarHBondContact O-N 2.91Å; R265-G268 PolarHBondContact O-N 2.96Å; G268-S270 VanDerWaalsContact C-N 3.25Å; G268-S270 PolarHBondContact O-N 2.97Å; G268-H271 PolarHBondContact O-N 3.5Å; G268-H271 VanDerWaalsContact O-N 3.09Å; G268-E272 PolarHBondContact O-N 2.81Å |
| 269 | L | 98.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 97.7 Ų | 97.7 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -27.1 | 177 | -67.9 | 171.4 | 0 | 0 | 0 | 113.6 | R265 K267 N273 | R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.05Å; K267-L269 PolarHBondContact O-N 2.98Å; L269-N273 VanDerWaalsContact O-CB 3.27Å; L269-N273 WeakPolarHBondContact O-CB 3.36Å; L269-N273 PolarHBondContact O-N 3.38Å; L269-N273 VanDerWaalsContact O-N 3.12Å |
| 270 | S | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 96.7 Ų | 96.7 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 170.7 | -160 | 0 | 0 | 0 | 0 | 110.9 | C266 K267 G268 E272 N273 E274 | C266-S270 PolarHBondContact O-N 3.41Å; C266-S270 VanDerWaalsContact O-N 3.08Å; K267-S270 WeakPolarHBondContact O-CB 3.46Å; K267-S270 PolarHBondContact O-N 3.38Å; K267-S270 VanDerWaalsContact O-N 3.15Å; G268-S270 VanDerWaalsContact C-N 3.25Å; G268-S270 PolarHBondContact O-N 2.97Å; S270-E272 PolarHBondContact O-N 3.5Å; S270-N273 WeakPolarHBondContact O-CB 3.42Å; S270-N273 PolarHBondContact O-N 3.28Å; S270-N273 VanDerWaalsContact O-N 3.14Å; S270-E274 WeakPolarHBondContact CB-OE1 3.46Å; S270-E274 WeakPolarHBondContact O-CB 3.36Å; S270-E274 VanDerWaalsContact O-CG 3.29Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 2.94Å; S270-E274 PolarHBondContact OG-OE1 3.22Å |
| 271 | H | 98.5 | Very high | 98.5 | Very high | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 179.5 | -67.3 | 67.4 | 0 | 0 | 0 | 111.3 | K267 G268 N273 E274 D275 | K267-H271 PolarHBondContact O-N 3.27Å; K267-H271 VanDerWaalsContact O-N 3.14Å; K267-H271 PolarHBondContact O-ND1 3.36Å; G268-H271 PolarHBondContact O-N 3.5Å; G268-H271 VanDerWaalsContact O-N 3.09Å; H271-N273 VanDerWaalsContact C-N 3.3Å; H271-N273 PolarHBondContact O-N 3.42Å; H271-E274 PolarHBondContact O-N 3.45Å; H271-D275 WeakPolarHBondContact O-CB 3.21Å; H271-D275 PolarHBondContact O-N 3.38Å |
| 272 | E | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 174.2 | -71.1 | 175.4 | -156.7 | 0 | 0 | 112.4 | G268 S270 L276 | G268-E272 PolarHBondContact O-N 2.81Å; S270-E272 PolarHBondContact O-N 3.5Å; E272-L276 WeakPolarHBondContact O-CB 3.23Å; E272-L276 VanDerWaalsContact O-CG 3.22Å; E272-L276 WeakPolarHBondContact O-CG 3.45Å; E272-L276 PolarHBondContact O-N 3.38Å |
| 273 | N | 98.1 | Very high | 98.4 | Very high | 108 Ų | 108 | 92 Ų | 92 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.5 | -36.6 | 177 | -171.5 | 23.5 | 0 | 0 | 0 | 112.2 | L269 S270 H271 L276 N277 | L269-N273 VanDerWaalsContact O-CB 3.27Å; L269-N273 WeakPolarHBondContact O-CB 3.36Å; L269-N273 PolarHBondContact O-N 3.38Å; L269-N273 VanDerWaalsContact O-N 3.12Å; S270-N273 WeakPolarHBondContact O-CB 3.42Å; S270-N273 PolarHBondContact O-N 3.28Å; S270-N273 VanDerWaalsContact O-N 3.14Å; H271-N273 VanDerWaalsContact C-N 3.3Å; H271-N273 PolarHBondContact O-N 3.42Å; N273-L276 PolarHBondContact O-N 2.95Å; N273-N277 VanDerWaalsContact O-CB 3.29Å; N273-N277 WeakPolarHBondContact O-CB 3.43Å; N273-N277 PolarHBondContact O-N 2.91Å |
| 274 | E | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 172.9 | -71.6 | 159.9 | -128.2 | 0 | 0 | 110.8 | S270 H271 L276 N277 H278 | S270-E274 WeakPolarHBondContact CB-OE1 3.46Å; S270-E274 WeakPolarHBondContact O-CB 3.36Å; S270-E274 VanDerWaalsContact O-CG 3.29Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 2.94Å; S270-E274 PolarHBondContact OG-OE1 3.22Å; H271-E274 PolarHBondContact O-N 3.45Å; E274-L276 PolarHBondContact O-N 3.43Å; E274-N277 PolarHBondContact O-N 3.46Å; E274-H278 PolarHBondContact O-CD2 2.95Å; E274-H278 PolarHBondContact O-N 3.32Å |
| 275 | D | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 97.6 Ų | 97.6 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 173.2 | -83.9 | -24.9 | 0 | 0 | 0 | 112.5 | H271 N277 H278 Q279 | H271-D275 WeakPolarHBondContact O-CB 3.21Å; H271-D275 PolarHBondContact O-N 3.38Å; D275-N277 VanDerWaalsContact C-N 3.32Å; D275-N277 PolarHBondContact O-N 3.37Å; D275-H278 PolarHBondContact O-N 3.03Å; D275-Q279 WeakPolarHBondContact O-CG 3.38Å; D275-Q279 PolarHBondContact O-N 2.87Å |
| 276 | L | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 96.2 Ų | 96.2 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 175.6 | -75.3 | 170.5 | 0 | 0 | 0 | 112 | E272 N273 E274 Q279 L280 | E272-L276 WeakPolarHBondContact O-CB 3.23Å; E272-L276 VanDerWaalsContact O-CG 3.22Å; E272-L276 WeakPolarHBondContact O-CG 3.45Å; E272-L276 PolarHBondContact O-N 3.38Å; N273-L276 PolarHBondContact O-N 2.95Å; E274-L276 PolarHBondContact O-N 3.43Å; L276-Q279 PolarHBondContact O-N 3.22Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.24Å; L276-L280 PolarHBondContact O-N 3.48Å |
| 277 | N | 98.3 | Very high | 98.4 | Very high | 89 Ų | 89 | 98.1 Ų | 98.1 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -33.6 | 174.8 | -171.1 | 36.7 | 0 | 0 | 0 | 112.2 | N273 E274 D275 L280 S281 | N273-N277 VanDerWaalsContact O-CB 3.29Å; N273-N277 WeakPolarHBondContact O-CB 3.43Å; N273-N277 PolarHBondContact O-N 2.91Å; E274-N277 PolarHBondContact O-N 3.46Å; D275-N277 VanDerWaalsContact C-N 3.32Å; D275-N277 PolarHBondContact O-N 3.37Å; N277-L280 PolarHBondContact O-N 3.41Å; N277-S281 WeakPolarHBondContact O-CB 3.39Å; N277-S281 PolarHBondContact O-N 3.35Å; N277-S281 PolarHBondContact O-OG 2.87Å |
| 278 | H | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 95.5 Ų | 95.5 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 169.7 | -76.3 | -55.4 | 0 | 0 | 0 | 112.2 | E274 D275 S281 S282 | E274-H278 PolarHBondContact O-CD2 2.95Å; E274-H278 PolarHBondContact O-N 3.32Å; D275-H278 PolarHBondContact O-N 3.03Å; H278-S281 WeakPolarHBondContact CA-OG 3.49Å; H278-S281 PolarHBondContact O-OG 2.78Å; H278-S281 VanDerWaalsContact O-OG 3.07Å; H278-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 PolarHBondContact O-N 3.44Å |
| 279 | Q | 98.4 | Very high | 98.4 | Very high | 126 Ų | 126 | 100.2 Ų | 100.2 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 172.6 | -69.4 | 174.5 | 48.8 | 0 | 0 | 111.9 | D275 L276 S282 S283 | D275-Q279 WeakPolarHBondContact O-CG 3.38Å; D275-Q279 PolarHBondContact O-N 2.87Å; L276-Q279 PolarHBondContact O-N 3.22Å; Q279-S282 PolarHBondContact O-N 2.8Å; Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 2.84Å |
| 280 | L | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 100.3 Ų | 100.3 | 42% | 0.419 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 178.3 | -175.6 | 73.8 | 0 | 0 | 0 | 112.3 | L276 N277 S283 R284 | L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.24Å; L276-L280 PolarHBondContact O-N 3.48Å; N277-L280 PolarHBondContact O-N 3.41Å; L280-S283 WeakPolarHBondContact O-CB 3.42Å; L280-S283 PolarHBondContact O-N 3.28Å; L280-R284 WeakPolarHBondContact O-CG 3.45Å; L280-R284 PolarHBondContact O-N 3.46Å |
| 281 | S | 98.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 104.6 Ų | 104.6 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | N277 H278 S283 R284 E285 | N277-S281 WeakPolarHBondContact O-CB 3.39Å; N277-S281 PolarHBondContact O-N 3.35Å; N277-S281 PolarHBondContact O-OG 2.87Å; H278-S281 WeakPolarHBondContact CA-OG 3.49Å; H278-S281 PolarHBondContact O-OG 2.78Å; H278-S281 VanDerWaalsContact O-OG 3.07Å; S281-S283 VanDerWaalsContact C-N 3.27Å; S281-S283 PolarHBondContact O-N 2.93Å; S281-R284 PolarHBondContact O-N 2.9Å; S281-E285 PolarHBondContact O-N 3.39Å |
| 282 | S | 98.4 | Very high | 98.3 | Very high | 39 Ų | 39 | 101.8 Ų | 101.8 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -32.3 | 172.4 | -171.4 | 0 | 0 | 0 | 0 | 112.8 | H278 Q279 K286 | H278-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 PolarHBondContact O-N 3.44Å; Q279-S282 PolarHBondContact O-N 2.8Å; S282-K286 VanDerWaalsContact O-CD 3.26Å; S282-K286 WeakPolarHBondContact O-CD 3.31Å; S282-K286 VanDerWaalsContact O-CG 3.26Å; S282-K286 WeakPolarHBondContact O-CG 3.43Å; S282-K286 PolarHBondContact O-N 3.32Å; S282-K286 PolarHBondContact OG-NZ 2.86Å |
| 283 | S | 98.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 173.1 | -165 | 0 | 0 | 0 | 0 | 111.9 | Q279 L280 S281 E285 K286 E287 | Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 2.84Å; L280-S283 WeakPolarHBondContact O-CB 3.42Å; L280-S283 PolarHBondContact O-N 3.28Å; S281-S283 VanDerWaalsContact C-N 3.27Å; S281-S283 PolarHBondContact O-N 2.93Å; S283-E285 VanDerWaalsContact C-N 3.34Å; S283-E285 PolarHBondContact O-N 2.83Å; S283-K286 PolarHBondContact O-N 3.39Å; S283-E287 PolarHBondContact O-N 2.96Å |
| 284 | R | 98.5 | Very high | 98.3 | Very high | 145 Ų | 145 | 101 Ų | 101 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 175.2 | -73.1 | 168.9 | 173.5 | 160.7 | -1.9 | 112.9 | L280 S281 E287 A288 | L280-R284 WeakPolarHBondContact O-CG 3.45Å; L280-R284 PolarHBondContact O-N 3.46Å; S281-R284 PolarHBondContact O-N 2.9Å; R284-E287 PolarHBondContact O-N 3.14Å; R284-A288 WeakPolarHBondContact O-CB 3.39Å; R284-A288 PolarHBondContact O-N 3.47Å |
| 285 | E | 98.5 | Very high | 98.3 | Very high | 139 Ų | 139 | 102.1 Ų | 102.1 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 174.2 | -174.9 | -174.4 | -166.4 | 0 | 0 | 111.3 | S281 S283 A288 K289 | S281-E285 PolarHBondContact O-N 3.39Å; S283-E285 VanDerWaalsContact C-N 3.34Å; S283-E285 PolarHBondContact O-N 2.83Å; E285-A288 PolarHBondContact O-N 3.03Å; E285-K289 WeakPolarHBondContact O-CB 3.37Å; E285-K289 PolarHBondContact O-N 2.88Å |
| 286 | K | 98.1 | Very high | 98.3 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.1 | -69 | 158.5 | -175.4 | 141.5 | 0 | 111.7 | S282 S283 K289 L290 | S282-K286 VanDerWaalsContact O-CD 3.26Å; S282-K286 WeakPolarHBondContact O-CD 3.31Å; S282-K286 VanDerWaalsContact O-CG 3.26Å; S282-K286 WeakPolarHBondContact O-CG 3.43Å; S282-K286 PolarHBondContact O-N 3.32Å; S282-K286 PolarHBondContact OG-NZ 2.86Å; S283-K286 PolarHBondContact O-N 3.39Å; K286-K289 PolarHBondContact O-N 2.84Å; K286-L290 WeakPolarHBondContact O-CG 3.17Å; K286-L290 PolarHBondContact O-N 3.45Å |
| 287 | E | 98 | Very high | 98.3 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 174.1 | -170 | -164.9 | 147.7 | 0 | 0 | 111.4 | S283 R284 K289 L290 K291 | S283-E287 PolarHBondContact O-N 2.96Å; R284-E287 PolarHBondContact O-N 3.14Å; E287-K289 VanDerWaalsContact C-N 3.33Å; E287-K289 PolarHBondContact O-N 3.35Å; E287-L290 PolarHBondContact O-N 3.03Å; E287-K291 VanDerWaalsContact O-CB 3.28Å; E287-K291 WeakPolarHBondContact O-CB 3.36Å; E287-K291 PolarHBondContact O-N 3.32Å |
| 288 | A | 98.1 | Very high | 98.3 | Very high | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R284 E285 K291 S292 | R284-A288 WeakPolarHBondContact O-CB 3.39Å; R284-A288 PolarHBondContact O-N 3.47Å; E285-A288 PolarHBondContact O-N 3.03Å; A288-K291 WeakPolarHBondContact O-CB 3.49Å; A288-K291 PolarHBondContact O-N 3.06Å; A288-S292 PolarHBondContact O-N 3.4Å; A288-S292 PolarHBondContact O-OG 3.05Å |
| 289 | K | 98.6 | Very high | 98.3 | Very high | 130 Ų | 130 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -48.7 | 175.5 | 178.2 | 172.6 | 170.5 | 174.8 | 0 | 112.3 | E285 K286 E287 K291 S292 E293 | E285-K289 WeakPolarHBondContact O-CB 3.37Å; E285-K289 PolarHBondContact O-N 2.88Å; K286-K289 PolarHBondContact O-N 2.84Å; E287-K289 VanDerWaalsContact C-N 3.33Å; E287-K289 PolarHBondContact O-N 3.35Å; K289-K291 PolarHBondContact O-N 2.9Å; K289-S292 WeakPolarHBondContact CA-OG 3.46Å; K289-S292 PolarHBondContact O-N 3.44Å; K289-S292 VanDerWaalsContact O-N 3.17Å; K289-S292 PolarHBondContact O-OG 2.85Å; K289-E293 WeakPolarHBondContact CE-OE1 3.35Å; K289-E293 IonicContact NZ-OE1 3.69Å; K289-E293 WeakPolarHBondContact O-CG 3.36Å; K289-E293 PolarHBondContact O-N 2.92Å |
| 290 | L | 98.3 | Very high | 98.3 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -33.6 | 175.9 | -71.7 | 169.6 | 0 | 0 | 0 | 111.7 | K286 E287 E293 L294 | K286-L290 WeakPolarHBondContact O-CG 3.17Å; K286-L290 PolarHBondContact O-N 3.45Å; E287-L290 PolarHBondContact O-N 3.03Å; L290-E293 PolarHBondContact O-N 3.12Å; L290-L294 WeakPolarHBondContact O-CB 3.35Å; L290-L294 PolarHBondContact O-N 3.41Å |
| 291 | K | 98.4 | Very high | 98.3 | Very high | 146 Ų | 146 | 103.5 Ų | 103.5 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.5 | -36 | 175.7 | -172.5 | 176.6 | -177.7 | 175.1 | 0 | 113 | E287 A288 K289 K295 | E287-K291 VanDerWaalsContact O-CB 3.28Å; E287-K291 WeakPolarHBondContact O-CB 3.36Å; E287-K291 PolarHBondContact O-N 3.32Å; A288-K291 WeakPolarHBondContact O-CB 3.49Å; A288-K291 PolarHBondContact O-N 3.06Å; K289-K291 PolarHBondContact O-N 2.9Å; K291-K295 PolarHBondContact O-N 3.35Å; K291-K295 VanDerWaalsContact O-N 3.12Å |
| 292 | S | 98.3 | Very high | 98.2 | Very high | 56 Ų | 56 | 103.3 Ų | 103.3 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 168.8 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | A288 K289 L294 K295 D296 | A288-S292 PolarHBondContact O-N 3.4Å; A288-S292 PolarHBondContact O-OG 3.05Å; K289-S292 WeakPolarHBondContact CA-OG 3.46Å; K289-S292 PolarHBondContact O-N 3.44Å; K289-S292 VanDerWaalsContact O-N 3.17Å; K289-S292 PolarHBondContact O-OG 2.85Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.43Å; S292-K295 CarbonylContact O-C 3.57Å; S292-K295 WeakPolarHBondContact O-CA 3.5Å; S292-K295 PolarHBondContact O-N 3.47Å; S292-D296 VanDerWaalsContact O-CG 3.29Å; S292-D296 PolarHBondContact O-N 3.44Å |
| 293 | E | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 107.1 Ų | 107.1 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 177.8 | -71.3 | 172.9 | -176.8 | 0 | 0 | 112.2 | K289 L290 L297 | K289-E293 WeakPolarHBondContact CE-OE1 3.35Å; K289-E293 IonicContact NZ-OE1 3.69Å; K289-E293 WeakPolarHBondContact O-CG 3.36Å; K289-E293 PolarHBondContact O-N 2.92Å; L290-E293 PolarHBondContact O-N 3.12Å; E293-L297 WeakPolarHBondContact O-CB 3.24Å; E293-L297 PolarHBondContact O-N 2.9Å; E293-L297 VanDerWaalsContact O-N 3.12Å |
| 294 | L | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 172.6 | -179.8 | 62.8 | 0 | 0 | 0 | 112.2 | L290 S292 L297 Q298 | L290-L294 WeakPolarHBondContact O-CB 3.35Å; L290-L294 PolarHBondContact O-N 3.41Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.43Å; L294-L297 PolarHBondContact O-N 3.22Å; L294-Q298 PolarHBondContact O-N 3.37Å |
| 295 | K | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 105.6 Ų | 105.6 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 175.2 | 175.5 | 170.2 | 173.2 | 175.8 | 0 | 111.4 | K291 S292 L297 Q298 D299 | K291-K295 PolarHBondContact O-N 3.35Å; K291-K295 VanDerWaalsContact O-N 3.12Å; S292-K295 CarbonylContact O-C 3.57Å; S292-K295 WeakPolarHBondContact O-CA 3.5Å; S292-K295 PolarHBondContact O-N 3.47Å; K295-L297 PolarHBondContact O-N 3.2Å; K295-L297 VanDerWaalsContact O-N 3.12Å; K295-Q298 CarbonylContact O-C 3.55Å; K295-Q298 WeakPolarHBondContact O-CA 3.45Å; K295-Q298 WeakPolarHBondContact O-CB 3.29Å; K295-Q298 PolarHBondContact O-N 3.4Å; K295-D299 VanDerWaalsContact CE-CG 3.45Å; K295-D299 VanDerWaalsContact CE-OD1 3.28Å; K295-D299 WeakPolarHBondContact CE-OD1 3.38Å; K295-D299 WeakPolarHBondContact CE-OD2 3.43Å; K295-D299 IonicContact NZ-OD2 2.72Å; K295-D299 PolarHBondContact O-N 3.46Å |
| 296 | D | 98.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 104.3 Ų | 104.3 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -27.4 | 179.3 | -66.6 | -9.3 | 0 | 0 | 0 | 111.8 | S292 K300 | S292-D296 VanDerWaalsContact O-CG 3.29Å; S292-D296 PolarHBondContact O-N 3.44Å; D296-K300 WeakPolarHBondContact O-CD 3.44Å; D296-K300 WeakPolarHBondContact O-CE 3.45Å; D296-K300 VanDerWaalsContact O-CG 3.23Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å |
| 297 | L | 98 | Very high | 98.1 | Very high | 87 Ų | 87 | 103.6 Ų | 103.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -80.1 | -39.9 | 172.6 | -166.6 | 69.6 | 0 | 0 | 0 | 112.3 | E293 L294 K295 K300 Y301 | E293-L297 WeakPolarHBondContact O-CB 3.24Å; E293-L297 PolarHBondContact O-N 2.9Å; E293-L297 VanDerWaalsContact O-N 3.12Å; L294-L297 PolarHBondContact O-N 3.22Å; K295-L297 PolarHBondContact O-N 3.2Å; K295-L297 VanDerWaalsContact O-N 3.12Å; L297-K300 PolarHBondContact O-N 3.12Å; L297-Y301 HydrophobicContact CD1-CE2 4.33Å; L297-Y301 HydrophobicContact CD2-CE2 4.03Å; L297-Y301 HydrophobicContact CG-CD2 4.13Å; L297-Y301 HydrophobicContact CG-CE2 3.73Å; L297-Y301 WeakPolarHBondContact O-CD2 3.42Å; L297-Y301 PolarHBondContact O-N 3.35Å |
| 298 | Q | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 102.1 Ų | 102.1 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 173.5 | -179.8 | 178.2 | -9.3 | 0 | 0 | 111.8 | L294 K295 K300 Y301 S302 | L294-Q298 PolarHBondContact O-N 3.37Å; K295-Q298 CarbonylContact O-C 3.55Å; K295-Q298 WeakPolarHBondContact O-CA 3.45Å; K295-Q298 WeakPolarHBondContact O-CB 3.29Å; K295-Q298 PolarHBondContact O-N 3.4Å; Q298-K300 VanDerWaalsContact C-N 3.28Å; Q298-K300 PolarHBondContact O-N 3.15Å; Q298-Y301 WeakPolarHBondContact O-CA 3.23Å; Q298-Y301 WeakPolarHBondContact O-CB 3.34Å; Q298-Y301 PolarHBondContact O-N 3.25Å; Q298-S302 PolarHBondContact O-N 2.99Å; Q298-S302 PolarHBondContact O-OG 3.31Å |
| 299 | D | 98 | Very high | 98.1 | Very high | 73 Ų | 73 | 103.7 Ų | 103.7 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | -179.5 | -70.8 | 1.8 | 0 | 0 | 0 | 110.5 | K295 S302 E303 | K295-D299 VanDerWaalsContact CE-CG 3.45Å; K295-D299 VanDerWaalsContact CE-OD1 3.28Å; K295-D299 WeakPolarHBondContact CE-OD1 3.38Å; K295-D299 WeakPolarHBondContact CE-OD2 3.43Å; K295-D299 IonicContact NZ-OD2 2.72Å; K295-D299 PolarHBondContact O-N 3.46Å; D299-S302 WeakPolarHBondContact CA-OG 3.46Å; D299-S302 PolarHBondContact O-N 3.28Å; D299-S302 PolarHBondContact O-OG 3.45Å; D299-E303 PolarHBondContact O-N 3.49Å |
| 300 | K | 98.1 | Very high | 98 | Very high | 118 Ų | 118 | 103.2 Ų | 103.2 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 171.4 | -72.6 | 166.6 | -167.7 | 153.8 | 0 | 113.7 | D296 L297 Q298 E303 C304 | D296-K300 WeakPolarHBondContact O-CD 3.44Å; D296-K300 WeakPolarHBondContact O-CE 3.45Å; D296-K300 VanDerWaalsContact O-CG 3.23Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å; L297-K300 PolarHBondContact O-N 3.12Å; Q298-K300 VanDerWaalsContact C-N 3.28Å; Q298-K300 PolarHBondContact O-N 3.15Å; K300-E303 PolarHBondContact O-N 2.76Å; K300-C304 PolarHBondContact O-N 3.38Å; K300-C304 PolarHBondContact O-SG 2.98Å |
| 301 | Y | 98.2 | Very high | 97.9 | Very high | 160 Ų | 160 | 100.4 Ų | 100.4 | 63% | 0.627 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 173.6 | -82.3 | -61.3 | 0 | 0 | 0 | 111.4 | L297 Q298 C304 E305 | L297-Y301 HydrophobicContact CD1-CE2 4.33Å; L297-Y301 HydrophobicContact CD2-CE2 4.03Å; L297-Y301 HydrophobicContact CG-CD2 4.13Å; L297-Y301 HydrophobicContact CG-CE2 3.73Å; L297-Y301 WeakPolarHBondContact O-CD2 3.42Å; L297-Y301 PolarHBondContact O-N 3.35Å; Q298-Y301 WeakPolarHBondContact O-CA 3.23Å; Q298-Y301 WeakPolarHBondContact O-CB 3.34Å; Q298-Y301 PolarHBondContact O-N 3.25Å; Y301-C304 WeakPolarHBondContact O-CB 3.29Å; Y301-C304 PolarHBondContact O-N 2.96Å; Y301-E305 PolarHBondContact O-N 2.94Å |
| 302 | S | 97.9 | Very high | 97.8 | Very high | 50 Ų | 50 | 98.4 Ų | 98.4 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 172.1 | 38.1 | 0 | 0 | 0 | 0 | 112.9 | Q298 D299 C304 E305 D306 | Q298-S302 PolarHBondContact O-N 2.99Å; Q298-S302 PolarHBondContact O-OG 3.31Å; D299-S302 WeakPolarHBondContact CA-OG 3.46Å; D299-S302 PolarHBondContact O-N 3.28Å; D299-S302 PolarHBondContact O-OG 3.45Å; S302-C304 VanDerWaalsContact C-N 3.28Å; S302-C304 PolarHBondContact O-N 2.88Å; S302-E305 PolarHBondContact O-N 3.44Å; S302-E305 VanDerWaalsContact O-N 3.11Å; S302-D306 PolarHBondContact O-N 2.87Å |
| 303 | E | 97.8 | Very high | 97.7 | Very high | 118 Ų | 118 | 101.8 Ų | 101.8 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.4 | -39.5 | 172.6 | -175 | -179.5 | -162.3 | 0 | 0 | 111.7 | D299 K300 M307 | D299-E303 PolarHBondContact O-N 3.49Å; K300-E303 PolarHBondContact O-N 2.76Å; E303-M307 HydrophobicContact CG-CE 4.49Å; E303-M307 WeakPolarHBondContact O-CB 3.3Å; E303-M307 WeakPolarHBondContact O-CG 3.44Å; E303-M307 PolarHBondContact O-N 2.93Å |
| 304 | C | 97.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 101.2 Ų | 101.2 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -34.8 | 174 | -64.8 | 0 | 0 | 0 | 0 | 113.1 | K300 Y301 S302 L308 | K300-C304 PolarHBondContact O-N 3.38Å; K300-C304 PolarHBondContact O-SG 2.98Å; Y301-C304 WeakPolarHBondContact O-CB 3.29Å; Y301-C304 PolarHBondContact O-N 2.96Å; S302-C304 VanDerWaalsContact C-N 3.28Å; S302-C304 PolarHBondContact O-N 2.88Å; C304-L308 VanDerWaalsContact O-CB 3.23Å; C304-L308 WeakPolarHBondContact O-CB 3.4Å; C304-L308 PolarHBondContact O-N 3.25Å; C304-L308 VanDerWaalsContact O-N 3.07Å |
| 305 | E | 98 | Very high | 97.3 | Very high | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69 | -43.9 | 175.5 | -173.9 | 169.2 | -156.3 | 0 | 0 | 111.5 | Y301 S302 L308 H309 | Y301-E305 PolarHBondContact O-N 2.94Å; S302-E305 PolarHBondContact O-N 3.44Å; S302-E305 VanDerWaalsContact O-N 3.11Å; E305-L308 PolarHBondContact O-N 3.4Å; E305-H309 PolarHBondContact O-N 2.88Å |
| 306 | D | 97.7 | Very high | 97.1 | Very high | 113 Ų | 113 | 101 Ų | 101 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 175.2 | -83.2 | -33.1 | 0 | 0 | 0 | 111.8 | S302 L308 H309 E310 | S302-D306 PolarHBondContact O-N 2.87Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.13Å; D306-H309 PolarHBondContact O-N 2.92Å; D306-E310 WeakPolarHBondContact O-CB 3.43Å; D306-E310 PolarHBondContact O-N 3Å |
| 307 | M | 97.6 | Very high | 96.8 | Very high | 108 Ų | 108 | 99.6 Ų | 99.6 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 173.5 | -77.2 | -167.3 | -66.2 | 0 | 0 | 112.3 | E303 E310 A311 | E303-M307 HydrophobicContact CG-CE 4.49Å; E303-M307 WeakPolarHBondContact O-CB 3.3Å; E303-M307 WeakPolarHBondContact O-CG 3.44Å; E303-M307 PolarHBondContact O-N 2.93Å; M307-E310 PolarHBondContact O-N 3.48Å; M307-A311 WeakPolarHBondContact O-CB 3.37Å; M307-A311 PolarHBondContact O-N 3.14Å |
| 308 | L | 97.7 | Very high | 96.5 | Very high | 92 Ų | 92 | 101 Ų | 101 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.4 | 174.9 | 146.3 | 0 | 0 | 0 | 111.5 | C304 E305 D306 Q312 | C304-L308 VanDerWaalsContact O-CB 3.23Å; C304-L308 WeakPolarHBondContact O-CB 3.4Å; C304-L308 PolarHBondContact O-N 3.25Å; C304-L308 VanDerWaalsContact O-N 3.07Å; E305-L308 PolarHBondContact O-N 3.4Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.13Å; L308-Q312 VanDerWaalsContact CD2-NE2 3.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.37Å; L308-Q312 VanDerWaalsContact O-CG 3.22Å; L308-Q312 WeakPolarHBondContact O-CG 3.33Å; L308-Q312 PolarHBondContact O-N 2.92Å |
| 309 | H | 97.5 | Very high | 96 | Very high | 93 Ų | 93 | 103 Ų | 103 | 43% | 0.431 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 173.3 | -80.1 | -33 | 0 | 0 | 0 | 112.8 | E305 D306 Q312 K313 | E305-H309 PolarHBondContact O-N 2.88Å; D306-H309 PolarHBondContact O-N 2.92Å; H309-Q312 PolarHBondContact ND1-OE1 3.35Å; H309-Q312 VanDerWaalsContact ND1-OE1 3.12Å; H309-Q312 PolarHBondContact O-N 3.27Å; H309-K313 WeakPolarHBondContact O-CB 3.19Å; H309-K313 PolarHBondContact O-N 3.31Å |
| 310 | E | 96.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -47.4 | 172.2 | -176.5 | 158.4 | -122.8 | 0 | 0 | 111.2 | D306 M307 Q312 K313 D314 | D306-E310 WeakPolarHBondContact O-CB 3.43Å; D306-E310 PolarHBondContact O-N 3Å; M307-E310 PolarHBondContact O-N 3.48Å; E310-Q312 VanDerWaalsContact C-N 3.35Å; E310-Q312 PolarHBondContact O-N 2.95Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 2.83Å; E310-K313 VanDerWaalsContact O-N 3.16Å; E310-D314 PolarHBondContact O-N 2.95Å |
| 311 | A | 97 | Very high | 94.5 | Very high | 54 Ų | 54 | 107.1 Ų | 107.1 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M307 D314 I315 | M307-A311 WeakPolarHBondContact O-CB 3.37Å; M307-A311 PolarHBondContact O-N 3.14Å; A311-D314 PolarHBondContact O-N 3.31Å; A311-I315 WeakPolarHBondContact O-CD1 3.33Å; A311-I315 VanDerWaalsContact O-CG1 3.27Å; A311-I315 WeakPolarHBondContact O-CG1 3.28Å; A311-I315 PolarHBondContact O-N 3.39Å |
| 312 | Q | 96.2 | Very high | 92.9 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.4 | -76.8 | 174.3 | -2.3 | 0 | 0 | 112.5 | L308 H309 E310 D314 I315 K316 | L308-Q312 VanDerWaalsContact CD2-NE2 3.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.37Å; L308-Q312 VanDerWaalsContact O-CG 3.22Å; L308-Q312 WeakPolarHBondContact O-CG 3.33Å; L308-Q312 PolarHBondContact O-N 2.92Å; H309-Q312 PolarHBondContact ND1-OE1 3.35Å; H309-Q312 VanDerWaalsContact ND1-OE1 3.12Å; H309-Q312 PolarHBondContact O-N 3.27Å; E310-Q312 VanDerWaalsContact C-N 3.35Å; E310-Q312 PolarHBondContact O-N 2.95Å; Q312-D314 VanDerWaalsContact C-N 3.32Å; Q312-I315 PolarHBondContact O-N 3.42Å; Q312-K316 WeakPolarHBondContact O-CB 3.17Å; Q312-K316 PolarHBondContact O-N 3.33Å |
| 313 | K | 95.8 | Very high | 91 | Very high | 127 Ų | 127 | 107.1 Ų | 107.1 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 176.7 | 178.4 | -171.6 | 177.4 | -168.7 | 0 | 110.7 | H309 E310 K316 N317 | H309-K313 WeakPolarHBondContact O-CB 3.19Å; H309-K313 PolarHBondContact O-N 3.31Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 2.83Å; E310-K313 VanDerWaalsContact O-N 3.16Å; K313-K316 CarbonylContact O-C 3.56Å; K313-K316 WeakPolarHBondContact O-CB 3.33Å; K313-K316 PolarHBondContact O-N 3.49Å; K313-N317 PolarHBondContact O-N 3.07Å; K313-N317 PolarHBondContact O-ND2 3.25Å |
| 314 | D | 95.3 | Very high | 88.7 | Confident | 81 Ų | 81 | 107.4 Ų | 107.4 | 43% | 0.433 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.4 | -35.2 | 177.3 | -90.8 | -4.7 | 0 | 0 | 0 | 114 | E310 A311 Q312 K316 N317 L318 | E310-D314 PolarHBondContact O-N 2.95Å; A311-D314 PolarHBondContact O-N 3.31Å; Q312-D314 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 2.84Å; D314-N317 PolarHBondContact O-N 2.94Å; D314-N317 PolarHBondContact OD1-ND2 3.11Å; D314-L318 WeakPolarHBondContact O-CB 3.21Å; D314-L318 VanDerWaalsContact O-CG 3.26Å; D314-L318 WeakPolarHBondContact O-CG 3.33Å; D314-L318 PolarHBondContact O-N 3.18Å |
| 315 | I | 93.5 | Very high | 86.2 | Confident | 87 Ų | 87 | 112.6 Ų | 112.6 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58 | -40.2 | 166.4 | -70.2 | 163.4 | 0 | 0 | 0 | 110.4 | A311 Q312 R319 | A311-I315 WeakPolarHBondContact O-CD1 3.33Å; A311-I315 VanDerWaalsContact O-CG1 3.27Å; A311-I315 WeakPolarHBondContact O-CG1 3.28Å; A311-I315 PolarHBondContact O-N 3.39Å; Q312-I315 PolarHBondContact O-N 3.42Å; I315-R319 WeakPolarHBondContact O-CB 3.4Å; I315-R319 VanDerWaalsContact O-CG 3.26Å; I315-R319 WeakPolarHBondContact O-CG 3.3Å; I315-R319 PolarHBondContact O-N 3.35Å |
| 316 | K | 93.9 | Very high | 83.6 | Confident | 139 Ų | 139 | 112.5 Ų | 112.5 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68 | -41.1 | 174.8 | -170.2 | -180 | -178.3 | 178.9 | 0 | 112.1 | Q312 K313 D314 R319 N320 | Q312-K316 WeakPolarHBondContact O-CB 3.17Å; Q312-K316 PolarHBondContact O-N 3.33Å; K313-K316 CarbonylContact O-C 3.56Å; K313-K316 WeakPolarHBondContact O-CB 3.33Å; K313-K316 PolarHBondContact O-N 3.49Å; D314-K316 PolarHBondContact O-N 2.84Å; K316-R319 PolarHBondContact O-N 3.43Å; K316-N320 WeakPolarHBondContact O-CB 3.38Å; K316-N320 PolarHBondContact O-N 3.33Å; K316-N320 PolarHBondContact O-ND2 2.86Å; K316-N320 PolarHBondContact O-OD1 2.97Å |
| 317 | N | 92.6 | Very high | 81.1 | Confident | 55 Ų | 55 | 113.5 Ų | 113.5 | 29% | 0.294 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -43.9 | 175.9 | -68.3 | -30.6 | 0 | 0 | 0 | 111.7 | K313 D314 N320 K321 | K313-N317 PolarHBondContact O-N 3.07Å; K313-N317 PolarHBondContact O-ND2 3.25Å; D314-N317 PolarHBondContact O-N 2.94Å; D314-N317 PolarHBondContact OD1-ND2 3.11Å; N317-N320 PolarHBondContact O-N 3.2Å; N317-K321 WeakPolarHBondContact O-CB 3.42Å; N317-K321 VanDerWaalsContact O-CG 3.24Å; N317-K321 WeakPolarHBondContact O-CG 3.36Å; N317-K321 PolarHBondContact O-N 2.86Å |
| 318 | L | 90.8 | Very high | 78.4 | Confident | 118 Ų | 118 | 115.1 Ų | 115.1 | 62% | 0.618 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.6 | -46.2 | 176.4 | -72.4 | 167.9 | 0 | 0 | 0 | 111 | D314 N320 K321 S322 | D314-L318 WeakPolarHBondContact O-CB 3.21Å; D314-L318 VanDerWaalsContact O-CG 3.26Å; D314-L318 WeakPolarHBondContact O-CG 3.33Å; D314-L318 PolarHBondContact O-N 3.18Å; L318-N320 PolarHBondContact O-N 3.39Å; L318-K321 PolarHBondContact O-N 3.37Å; L318-S322 WeakPolarHBondContact O-CB 3.4Å; L318-S322 PolarHBondContact O-N 2.83Å; L318-S322 PolarHBondContact O-OG 3.38Å |
| 319 | R | 87.1 | Confident | 76.1 | Confident | 169 Ų | 169 | 119.1 Ų | 119.1 | 64% | 0.638 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.1 | -50.4 | 173.4 | -75.7 | 171.5 | -179.1 | 176.3 | 2 | 111.4 | I315 K316 K321 S322 L323 | I315-R319 WeakPolarHBondContact O-CB 3.4Å; I315-R319 VanDerWaalsContact O-CG 3.26Å; I315-R319 WeakPolarHBondContact O-CG 3.3Å; I315-R319 PolarHBondContact O-N 3.35Å; K316-R319 PolarHBondContact O-N 3.43Å; R319-K321 VanDerWaalsContact C-N 3.29Å; R319-K321 PolarHBondContact O-N 3.02Å; R319-S322 WeakPolarHBondContact CA-OG 3.41Å; R319-S322 PolarHBondContact O-N 3.32Å; R319-S322 PolarHBondContact O-OG 3.13Å; R319-L323 VanDerWaalsContact O-CD1 3.3Å; R319-L323 WeakPolarHBondContact O-CD1 3.46Å; R319-L323 PolarHBondContact O-N 3.4Å |
| 320 | N | 83.1 | Confident | 73.5 | Confident | 110 Ų | 110 | 124.3 Ų | 124.3 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60 | -36.1 | 178 | -69.9 | -9.8 | 0 | 0 | 0 | 113 | K316 N317 L318 | K316-N320 WeakPolarHBondContact O-CB 3.38Å; K316-N320 PolarHBondContact O-N 3.33Å; K316-N320 PolarHBondContact O-ND2 2.86Å; K316-N320 PolarHBondContact O-OD1 2.97Å; N317-N320 PolarHBondContact O-N 3.2Å; L318-N320 PolarHBondContact O-N 3.39Å |
| 321 | K | 81.6 | Confident | 70.8 | Confident | 169 Ų | 169 | 128.5 Ų | 128.5 | 74% | 0.735 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.5 | -22.6 | 175.8 | -71.3 | 168.7 | -177.4 | 176.7 | 0 | 113.5 | N317 L318 R319 | N317-K321 WeakPolarHBondContact O-CB 3.42Å; N317-K321 VanDerWaalsContact O-CG 3.24Å; N317-K321 WeakPolarHBondContact O-CG 3.36Å; N317-K321 PolarHBondContact O-N 2.86Å; L318-K321 PolarHBondContact O-N 3.37Å; R319-K321 VanDerWaalsContact C-N 3.29Å; R319-K321 PolarHBondContact O-N 3.02Å |
| 322 | S | 65.9 | Low | 68.1 | Low | 86 Ų | 86 | 130.6 Ų | 130.6 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -85.9 | -11 | -178.6 | 68.3 | 0 | 0 | 0 | 0 | 115 | L318 R319 | L318-S322 WeakPolarHBondContact O-CB 3.4Å; L318-S322 PolarHBondContact O-N 2.83Å; L318-S322 PolarHBondContact O-OG 3.38Å; R319-S322 WeakPolarHBondContact CA-OG 3.41Å; R319-S322 PolarHBondContact O-N 3.32Å; R319-S322 PolarHBondContact O-OG 3.13Å |
| 323 | L | 57.3 | Low | 65.8 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -83.9 | 131.1 | 171.5 | -88.8 | 75.3 | 0 | 0 | 0 | 110.1 | R319 N325 | R319-L323 VanDerWaalsContact O-CD1 3.3Å; R319-L323 WeakPolarHBondContact O-CD1 3.46Å; R319-L323 PolarHBondContact O-N 3.4Å; L323-N325 PolarHBondContact O-N 3.07Å |
| 324 | P | 49.7 | Very low | 63.5 | Low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | trans | -70.4 | 128.6 | 175.4 | 29 | -33.5 | 0 | 0 | 0 | 110.4 | S326 | P324-S326 PolarHBondContact O-N 3.13Å; P324-S326 VanDerWaalsContact O-N 3.14Å | ||
| 325 | N | 45.1 | Very low | 61 | Low | 180 Ų | 180 | 132.1 Ų | 132.1 | 96% | 0.963 | 71% | 0.706 | S | S | * | * | trans | -72.3 | 106.2 | -178.9 | -135.3 | 2.2 | 0 | 0 | 0 | 110 | L323 | L323-N325 PolarHBondContact O-N 3.07Š| ||
| 326 | S | 43.4 | Very low | 58.8 | Low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -143.1 | 141.5 | 171.2 | -169 | 0 | 0 | 0 | 0 | 110.9 | P324 | P324-S326 PolarHBondContact O-N 3.13Å; P324-S326 VanDerWaalsContact O-N 3.14Å | ||
| 327 | T | 46.3 | Very low | 56.9 | Low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | trans | -81.1 | 131.9 | -174.1 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 328 | V | 39.4 | Very low | 54.6 | Low | 142 Ų | 142 | 135.9 Ų | 135.9 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 179.5 | 141.5 | 130.8 | 144.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 329 | Q | 49.6 | Very low | 52.6 | Low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -87.9 | 122 | 166.8 | -70.2 | 176.8 | -32.4 | 0 | 0 | 111.5 | ||||
| 330 | R | 44.4 | Very low | 51 | Low | 202 Ų | 202 | 134.6 Ų | 134.6 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | 167.5 | 138.5 | 122.8 | -95.4 | 171.6 | -72.9 | 180 | -4.1 | 112.5 | |||||
| 331 | Y | 39.5 | Very low | 49.7 | Very low | 206 Ų | 206 | 137.1 Ų | 137.1 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 62.9 | 141.7 | -177.1 | -40.1 | -68.1 | 0 | 0 | 0 | 111.2 | ||||
| 332 | T | 40.5 | Very low | 48.7 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | -166 | 126.4 | 51.4 | -70.3 | 0 | 0 | 0 | 0 | 106.1 | L334 | T332-L334 HydrophobicContact CG2-CB 3.72Å; T332-L334 HydrophobicContact CG2-CD1 3.72Å; T332-L334 HydrophobicContact CG2-CG 3.5Å; T332-L334 PolarHBondContact O-N 3.48Å | |||
| 333 | A | 47.2 | Very low | 48.2 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | 68 | 0.9 | 57.8 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 334 | L | 47.5 | Very low | 48.4 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | -140.6 | 63.7 | 177.1 | -67.6 | 174 | 0 | 0 | 0 | 111 | T332 | T332-L334 HydrophobicContact CG2-CB 3.72Å; T332-L334 HydrophobicContact CG2-CD1 3.72Å; T332-L334 HydrophobicContact CG2-CG 3.5Å; T332-L334 PolarHBondContact O-N 3.48Å | ||
| 335 | A | 42.2 | Very low | 49.1 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 88% | 0.884 | 73% | 0.73 | S | S | * | * | trans | -100.7 | 3.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 336 | S | 48 | Very low | 49.9 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | trans | -77.5 | 159.9 | 156.8 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 337 | V | 53.4 | Low | 50.7 | Low | 136 Ų | 136 | 124.3 Ų | 124.3 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | 71 | 58.4 | -173.3 | -159.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 338 | L | 45.7 | Very low | 51.4 | Low | 142 Ų | 142 | 122.7 Ų | 122.7 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -90.3 | 159.1 | 130.1 | -69.3 | 175.9 | 0 | 0 | 0 | 108.2 | M340 | L338-M340 PolarHBondContact O-N 2.69Š|
| 339 | P | 47.7 | Very low | 52.3 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 75% | 0.753 | 66% | 0.661 | S | S | * | * | trans | -60 | 119 | -173.5 | -25.7 | 35.8 | 0 | 0 | 0 | 113.1 | D341 | P339-D341 VanDerWaalsContact C-N 3.26Å; P339-D341 PolarHBondContact O-N 2.72Å | ||
| 340 | M | 54.3 | Low | 52.7 | Low | 145 Ų | 145 | 114 Ų | 114 | 71% | 0.714 | 65% | 0.65 | S | S | * | * | trans | -89.9 | 35.6 | -173.9 | -78.8 | -69.5 | -63 | 0 | 0 | 113.4 | L338 A345 | L338-M340 PolarHBondContact O-N 2.69Å; M340-A345 HydrophobicContact CE-CB 3.82Å; M340-A345 HydrophobicContact SD-CB 4.33Å | ||
| 341 | D | 55.2 | Low | 52.9 | Low | 162 Ų | 162 | 112 Ų | 112 | 87% | 0.866 | 65% | 0.647 | S | S | * | * | trans | -119.5 | 60.1 | 179.3 | -70 | -62.3 | 0 | 0 | 0 | 110.4 | P339 | P339-D341 VanDerWaalsContact C-N 3.26Å; P339-D341 PolarHBondContact O-N 2.72Å | ||
| 342 | S | 59.8 | Low | 53.7 | Low | 80 Ų | 80 | 110.8 Ų | 110.8 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -141.4 | 136.2 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | A344 A345 | S342-A344 PolarHBondContact O-N 3.46Å; S342-A345 WeakPolarHBondContact O-CB 3.43Å; S342-A345 PolarHBondContact O-N 2.94Å |
| 343 | L | 56.8 | Low | 54.3 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -51.6 | -30.5 | -171.9 | -168.7 | 70.7 | 0 | 0 | 0 | 113.9 | A345 E346 I347 | L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.34Å; L343-E346 PolarHBondContact O-N 3.3Å; L343-I347 HydrophobicContact CG-CD1 4.14Å; L343-I347 WeakPolarHBondContact O-CG1 3.44Å; L343-I347 PolarHBondContact O-N 2.91Å |
| 344 | A | 61 | Low | 54.5 | Low | 66 Ų | 66 | 113 Ų | 113 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61 | -34.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S342 I347 E348 | S342-A344 PolarHBondContact O-N 3.46Å; A344-I347 PolarHBondContact O-N 3.2Å; A344-E348 WeakPolarHBondContact O-CB 3.3Å; A344-E348 PolarHBondContact O-N 2.99Å |
| 345 | A | 64.2 | Low | 54.7 | Low | 34 Ų | 34 | 113.7 Ų | 113.7 | 28% | 0.281 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.7 | -31 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M340 S342 L343 G349 | M340-A345 HydrophobicContact CE-CB 3.82Å; M340-A345 HydrophobicContact SD-CB 4.33Å; S342-A345 WeakPolarHBondContact O-CB 3.43Å; S342-A345 PolarHBondContact O-N 2.94Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.34Å; A345-G349 PolarHBondContact O-N 3.29Å |
| 346 | E | 63 | Low | 54.8 | Low | 138 Ų | 138 | 116 Ų | 116 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.4 | -47.6 | 171.8 | -174.2 | 178.8 | -177.5 | 0 | 0 | 110.5 | L343 G349 T350 | L343-E346 PolarHBondContact O-N 3.3Å; E346-G349 PolarHBondContact O-N 3.47Å; E346-T350 PolarHBondContact O-N 2.97Å; E346-T350 PolarHBondContact O-OG1 3.02Å |
| 347 | I | 59 | Low | 54.3 | Low | 87 Ų | 87 | 116.9 Ų | 116.9 | 45% | 0.446 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -62.6 | -47.7 | 178.9 | -64.8 | 168.2 | 0 | 0 | 0 | 111 | L343 A344 G349 T350 F351 | L343-I347 HydrophobicContact CG-CD1 4.14Å; L343-I347 WeakPolarHBondContact O-CG1 3.44Å; L343-I347 PolarHBondContact O-N 2.91Å; A344-I347 PolarHBondContact O-N 3.2Å; I347-G349 VanDerWaalsContact C-N 3.3Å; I347-G349 PolarHBondContact O-N 2.84Å; I347-T350 WeakPolarHBondContact CA-OG1 3.25Å; I347-T350 PolarHBondContact O-N 2.88Å; I347-T350 PolarHBondContact O-OG1 3.24Å; I347-F351 HydrophobicContact CG2-CD2 4.25Å; I347-F351 HydrophobicContact CG2-CE2 3.99Å; I347-F351 VanDerWaalsContact O-CD2 3.3Å; I347-F351 WeakPolarHBondContact O-CD2 3.3Å; I347-F351 PolarHBondContact O-N 2.83Å |
| 348 | E | 60.5 | Low | 54.1 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 47% | 0.472 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.1 | -34.6 | 177.4 | -158.6 | -175.5 | 159.7 | 0 | 0 | 112 | A344 T350 F351 R352 | A344-E348 WeakPolarHBondContact O-CB 3.3Å; A344-E348 PolarHBondContact O-N 2.99Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 3.15Å; E348-F351 PolarHBondContact O-N 3.3Å; E348-R352 PolarHBondContact O-N 3.41Å; E348-R352 VanDerWaalsContact O-N 3.08Å; E348-R352 IonicContact OE1-CZ 3.14Å; E348-R352 IonicContact OE1-NE 2.76Å; E348-R352 PolarHBondContact OE1-NE 2.85Å; E348-R352 IonicContact OE1-NH2 2.69Å; E348-R352 PolarHBondContact OE1-NH2 3.48Å |
| 349 | G | 58.4 | Low | 54.2 | Low | 40 Ų | 40 | 114.3 Ų | 114.3 | 41% | 0.412 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.8 | -38.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A345 E346 I347 K353 | A345-G349 PolarHBondContact O-N 3.29Å; E346-G349 PolarHBondContact O-N 3.47Å; I347-G349 VanDerWaalsContact C-N 3.3Å; I347-G349 PolarHBondContact O-N 2.84Å; G349-K353 WeakPolarHBondContact O-CB 3.4Å; G349-K353 PolarHBondContact O-N 3.29Å |
| 350 | T | 57.7 | Low | 54.1 | Low | 95 Ų | 95 | 113.6 Ų | 113.6 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.4 | -40.9 | 174.4 | 27.5 | 0 | 0 | 0 | 0 | 113.4 | E346 I347 E348 | E346-T350 PolarHBondContact O-N 2.97Å; E346-T350 PolarHBondContact O-OG1 3.02Å; I347-T350 WeakPolarHBondContact CA-OG1 3.25Å; I347-T350 PolarHBondContact O-N 2.88Å; I347-T350 PolarHBondContact O-OG1 3.24Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 3.15Å |
| 351 | F | 50.3 | Low | 54.2 | Low | 160 Ų | 160 | 111.4 Ų | 111.4 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.4 | -41.2 | 179.9 | -76.5 | -73.2 | 0 | 0 | 0 | 112.9 | I347 E348 K353 G354 | I347-F351 HydrophobicContact CG2-CD2 4.25Å; I347-F351 HydrophobicContact CG2-CE2 3.99Å; I347-F351 VanDerWaalsContact O-CD2 3.3Å; I347-F351 WeakPolarHBondContact O-CD2 3.3Å; I347-F351 PolarHBondContact O-N 2.83Å; E348-F351 PolarHBondContact O-N 3.3Å; F351-K353 PolarHBondContact O-N 3.27Å; F351-G354 PolarHBondContact O-N 3.07Å |
| 352 | R | 56.4 | Low | 54.2 | Low | 182 Ų | 182 | 109.6 Ų | 109.6 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.3 | -18.8 | -179.7 | -66.3 | -173.8 | -176.6 | -76.9 | -2 | 113.7 | E348 G354 | E348-R352 PolarHBondContact O-N 3.41Å; E348-R352 VanDerWaalsContact O-N 3.08Å; E348-R352 IonicContact OE1-CZ 3.14Å; E348-R352 IonicContact OE1-NE 2.76Å; E348-R352 PolarHBondContact OE1-NE 2.85Å; E348-R352 IonicContact OE1-NH2 2.69Å; E348-R352 PolarHBondContact OE1-NH2 3.48Å; R352-G354 VanDerWaalsContact C-N 3.3Å |
| 353 | K | 52 | Low | 53.9 | Low | 184 Ų | 184 | 115.6 Ų | 115.6 | 80% | 0.8 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -3.7 | 174.8 | -155.4 | 170.4 | -175.4 | 177.1 | 0 | 113.9 | G349 F351 | G349-K353 WeakPolarHBondContact O-CB 3.4Å; G349-K353 PolarHBondContact O-N 3.29Å; F351-K353 PolarHBondContact O-N 3.27Å |
| 354 | G | 51.1 | Low | 53.8 | Low | 61 Ų | 61 | 118.7 Ų | 118.7 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | F351 R352 | F351-G354 PolarHBondContact O-N 3.07Å; R352-G354 VanDerWaalsContact C-N 3.3Å |
| 355 | L | 52.9 | Low | 53.7 | Low | 151 Ų | 151 | 119.6 Ų | 119.6 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -109.3 | -33.4 | -171 | -69.6 | 172.2 | 0 | 0 | 0 | 114.9 | ||
| 356 | D | 43.3 | Very low | 53.7 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -106.1 | 53.3 | -174.3 | -69.7 | -56.6 | 0 | 0 | 0 | 113.7 | ||
| 357 | S | 37.4 | Very low | 53.7 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -157.2 | 138.5 | 161.5 | -118.8 | 0 | 0 | 0 | 0 | 112.5 | A359 | S357-A359 PolarHBondContact O-N 3.28Š|
| 358 | P | 49.6 | Very low | 54 | Low | 129 Ų | 129 | 124.5 Ų | 124.5 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | trans | -70.2 | 106.5 | -174.1 | 27.6 | -34.2 | 0 | 0 | 0 | 112.4 | S360 | P358-S360 PolarHBondContact O-N 3.16Š| ||
| 359 | A | 47.5 | Very low | 54.6 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | 31.2 | 80.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | S357 S361 | S357-A359 PolarHBondContact O-N 3.28Å; A359-S361 PolarHBondContact O-N 3.33Å | ||
| 360 | S | 44.7 | Very low | 55.1 | Low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -55.4 | 134.7 | 160.8 | -179 | 0 | 0 | 0 | 0 | 110.3 | P358 E362 | P358-S360 PolarHBondContact O-N 3.16Å; S360-E362 PolarHBondContact O-N 3.04Å; S360-E362 VanDerWaalsContact O-N 3.09Å | ||
| 361 | S | 57 | Low | 55.8 | Low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -73.1 | -2.3 | -166.9 | 54 | 0 | 0 | 0 | 0 | 115.1 | A359 | A359-S361 PolarHBondContact O-N 3.33Š|
| 362 | E | 55.8 | Low | 56.7 | Low | 124 Ų | 124 | 129.7 Ų | 129.7 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -75.6 | -29.5 | -169 | -166.9 | 142.3 | -149.2 | 0 | 0 | 114.2 | S360 K364 N365 R369 | S360-E362 PolarHBondContact O-N 3.04Å; S360-E362 VanDerWaalsContact O-N 3.09Å; E362-K364 PolarHBondContact O-N 2.84Å; E362-N365 PolarHBondContact O-N 3.43Å; E362-N365 VanDerWaalsContact O-N 3.08Å; E362-R369 IonicContact OE1-NH1 3.97Å |
| 363 | Y | 53.2 | Low | 57.5 | Low | 207 Ų | 207 | 125.6 Ų | 125.6 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -67.4 | -19.8 | -177.3 | -138.5 | -93.4 | 0 | 0 | 0 | 113.9 | N365 | Y363-N365 VanDerWaalsContact C-N 3.3Å; Y363-N365 PolarHBondContact O-N 3.44Å |
| 364 | K | 55.4 | Low | 58.4 | Low | 183 Ų | 183 | 120.4 Ų | 120.4 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -71.5 | -20.8 | 173.7 | -95.4 | -175.9 | 177.2 | 177.6 | 0 | 113.8 | E362 | E362-K364 PolarHBondContact O-N 2.84Š|
| 365 | N | 58.9 | Low | 59.5 | Low | 85 Ų | 85 | 124.3 Ų | 124.3 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -12.9 | -173.8 | -64.4 | -46.9 | 0 | 0 | 0 | 113.7 | E362 Y363 Y368 R369 | E362-N365 PolarHBondContact O-N 3.43Å; E362-N365 VanDerWaalsContact O-N 3.08Å; Y363-N365 VanDerWaalsContact C-N 3.3Å; Y363-N365 PolarHBondContact O-N 3.44Å; N365-Y368 PolarHBondContact O-N 2.93Å; N365-R369 PolarHBondContact O-N 2.86Å |
| 366 | H | 64.2 | Low | 60.4 | Low | 120 Ų | 120 | 122 Ų | 122 | 56% | 0.556 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57.5 | -51.9 | 178.9 | -169.8 | 73.5 | 0 | 0 | 0 | 113.8 | Y368 R369 V370 | H366-Y368 VanDerWaalsContact C-N 3.26Å; H366-Y368 PolarHBondContact O-N 3.25Å; H366-R369 PolarHBondContact O-N 3.19Å; H366-V370 WeakPolarHBondContact O-CG2 3.29Å; H366-V370 PolarHBondContact O-N 3.37Å |
| 367 | P | 61.9 | Low | 61.5 | Low | 73 Ų | 73 | 117.3 Ų | 117.3 | 47% | 0.474 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.2 | -32.7 | 176.9 | 24.2 | -34.4 | 0 | 0 | 0 | 112.7 | V370 F371 | P367-V370 PolarHBondContact O-N 2.89Å; P367-F371 WeakPolarHBondContact O-CD2 3.29Å; P367-F371 PolarHBondContact O-N 2.91Å |
| 368 | Y | 66.3 | Low | 62.8 | Low | 170 Ų | 170 | 118.2 Ų | 118.2 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.8 | -46 | 176.5 | -119.7 | -89.5 | 0 | 0 | 0 | 111.9 | N365 H366 V370 F371 E372 | N365-Y368 PolarHBondContact O-N 2.93Å; H366-Y368 VanDerWaalsContact C-N 3.26Å; H366-Y368 PolarHBondContact O-N 3.25Å; Y368-V370 VanDerWaalsContact C-N 3.34Å; Y368-V370 PolarHBondContact O-N 3.46Å; Y368-F371 PolarHBondContact O-N 2.98Å; Y368-E372 PolarHBondContact O-N 3.12Å |
| 369 | R | 71.8 | Confident | 63.6 | Low | 157 Ų | 157 | 119.7 Ų | 119.7 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61 | -38.9 | 174.1 | -83.9 | -175.8 | 172.1 | 152.4 | 0.6 | 112.6 | E362 N365 H366 E372 T373 | E362-R369 IonicContact OE1-NH1 3.97Å; N365-R369 PolarHBondContact O-N 2.86Å; H366-R369 PolarHBondContact O-N 3.19Å; R369-E372 PolarHBondContact O-N 2.83Å; R369-T373 WeakPolarHBondContact O-CB 3.35Å; R369-T373 PolarHBondContact O-N 3.01Å; R369-T373 PolarHBondContact O-OG1 2.98Å |
| 370 | V | 70.2 | Confident | 64 | Low | 67 Ų | 67 | 118.3 Ų | 118.3 | 41% | 0.406 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.1 | -46.5 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | H366 P367 Y368 E372 T373 V374 | H366-V370 WeakPolarHBondContact O-CG2 3.29Å; H366-V370 PolarHBondContact O-N 3.37Å; P367-V370 PolarHBondContact O-N 2.89Å; Y368-V370 VanDerWaalsContact C-N 3.34Å; Y368-V370 PolarHBondContact O-N 3.46Å; V370-E372 PolarHBondContact O-N 3.31Å; V370-T373 PolarHBondContact O-N 3.47Å; V370-V374 WeakPolarHBondContact O-CG2 3.5Å; V370-V374 PolarHBondContact O-N 3.49Å |
| 371 | F | 72.5 | Confident | 64.5 | Low | 162 Ų | 162 | 116.3 Ų | 116.3 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.3 | -37.8 | 176.4 | -95.9 | -91.6 | 0 | 0 | 0 | 113.2 | P367 Y368 K375 | P367-F371 WeakPolarHBondContact O-CD2 3.29Å; P367-F371 PolarHBondContact O-N 2.91Å; Y368-F371 PolarHBondContact O-N 2.98Å; F371-K375 WeakPolarHBondContact O-CB 3.25Å; F371-K375 PolarHBondContact O-N 2.56Å |
| 372 | E | 69.4 | Low | 64.5 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.4 | -44.8 | 172.4 | -74.1 | -159.1 | 118.7 | 0 | 0 | 112.2 | Y368 R369 V370 V374 K375 V376 | Y368-E372 PolarHBondContact O-N 3.12Å; R369-E372 PolarHBondContact O-N 2.83Å; V370-E372 PolarHBondContact O-N 3.31Å; E372-V374 PolarHBondContact O-N 3.43Å; E372-K375 CarbonylContact O-C 3.57Å; E372-K375 WeakPolarHBondContact O-CB 3.29Å; E372-K375 PolarHBondContact O-N 2.99Å; E372-K375 VanDerWaalsContact O-N 3.13Å; E372-V376 WeakPolarHBondContact O-CG2 3.14Å; E372-V376 PolarHBondContact O-N 2.99Å |
| 373 | T | 72.3 | Confident | 64.4 | Low | 96 Ų | 96 | 121.7 Ų | 121.7 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.7 | -45.1 | 179.3 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | R369 V370 K375 V376 A377 | R369-T373 WeakPolarHBondContact O-CB 3.35Å; R369-T373 PolarHBondContact O-N 3.01Å; R369-T373 PolarHBondContact O-OG1 2.98Å; V370-T373 PolarHBondContact O-N 3.47Å; T373-K375 VanDerWaalsContact C-N 3.31Å; T373-K375 PolarHBondContact O-N 3.43Å; T373-V376 PolarHBondContact O-N 3.42Å; T373-A377 WeakPolarHBondContact O-CB 3.3Å; T373-A377 PolarHBondContact O-N 2.86Å |
| 374 | V | 71.6 | Confident | 64.3 | Low | 76 Ų | 76 | 122.9 Ų | 122.9 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65 | -33.7 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | V370 E372 N378 | V370-V374 WeakPolarHBondContact O-CG2 3.5Å; V370-V374 PolarHBondContact O-N 3.49Å; E372-V374 PolarHBondContact O-N 3.43Å; V374-N378 WeakPolarHBondContact O-CB 3.38Å; V374-N378 PolarHBondContact O-N 2.83Å; V374-N378 PolarHBondContact O-ND2 2.94Å |
| 375 | K | 73.4 | Confident | 64 | Low | 142 Ų | 142 | 119.4 Ų | 119.4 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.1 | -27 | 177 | -174.5 | -179.3 | -175.6 | -177.2 | 0 | 112.9 | F371 E372 T373 K379 | F371-K375 WeakPolarHBondContact O-CB 3.25Å; F371-K375 PolarHBondContact O-N 2.56Å; E372-K375 CarbonylContact O-C 3.57Å; E372-K375 WeakPolarHBondContact O-CB 3.29Å; E372-K375 PolarHBondContact O-N 2.99Å; E372-K375 VanDerWaalsContact O-N 3.13Å; T373-K375 VanDerWaalsContact C-N 3.31Å; T373-K375 PolarHBondContact O-N 3.43Å; K375-K379 WeakPolarHBondContact O-CG 3.45Å |
| 376 | V | 72.3 | Confident | 63 | Low | 102 Ų | 102 | 124 Ų | 124 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.4 | -45.4 | 169.3 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | E372 T373 N378 K379 A380 | E372-V376 WeakPolarHBondContact O-CG2 3.14Å; E372-V376 PolarHBondContact O-N 2.99Å; T373-V376 PolarHBondContact O-N 3.42Å; V376-N378 PolarHBondContact O-N 3.3Å; V376-K379 WeakPolarHBondContact O-CB 3.37Å; V376-K379 PolarHBondContact O-N 2.94Å; V376-A380 PolarHBondContact O-N 3.35Å |
| 377 | A | 65.6 | Low | 61.4 | Low | 58 Ų | 58 | 123.2 Ų | 123.2 | 48% | 0.479 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -58.9 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T373 K379 A380 G381 | T373-A377 WeakPolarHBondContact O-CB 3.3Å; T373-A377 PolarHBondContact O-N 2.86Å; A377-K379 VanDerWaalsContact C-N 3.27Å; A377-K379 PolarHBondContact O-N 3.5Å; A377-A380 PolarHBondContact O-N 2.95Å; A377-A380 VanDerWaalsContact O-N 3.17Å; A377-G381 PolarHBondContact O-N 2.88Å |
| 378 | N | 65.8 | Low | 60 | Low | 120 Ų | 120 | 128.6 Ų | 128.6 | 64% | 0.642 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.9 | -25.2 | 175.4 | -86.9 | -75.6 | 0 | 0 | 0 | 113.8 | V374 V376 | V374-N378 WeakPolarHBondContact O-CB 3.38Å; V374-N378 PolarHBondContact O-N 2.83Å; V374-N378 PolarHBondContact O-ND2 2.94Å; V376-N378 PolarHBondContact O-N 3.3Å |
| 379 | K | 65.3 | Low | 58.3 | Low | 159 Ų | 159 | 126.3 Ų | 126.3 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.4 | -41 | 170.5 | -78.7 | -179.3 | 172.6 | -171.1 | 0 | 111.7 | K375 V376 A377 | K375-K379 WeakPolarHBondContact O-CG 3.45Å; V376-K379 WeakPolarHBondContact O-CB 3.37Å; V376-K379 PolarHBondContact O-N 2.94Å; A377-K379 VanDerWaalsContact C-N 3.27Å; A377-K379 PolarHBondContact O-N 3.5Å |
| 380 | A | 57 | Low | 57.1 | Low | 67 Ų | 67 | 125.2 Ų | 125.2 | 55% | 0.554 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.4 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V376 A377 K382 M383 | V376-A380 PolarHBondContact O-N 3.35Å; A377-A380 PolarHBondContact O-N 2.95Å; A377-A380 VanDerWaalsContact O-N 3.17Å; A380-K382 PolarHBondContact O-N 3.48Å; A380-M383 PolarHBondContact O-N 3.31Å |
| 381 | G | 55.7 | Low | 55.2 | Low | 57 Ų | 57 | 125.9 Ų | 125.9 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -59.7 | -27.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A377 M383 | A377-G381 PolarHBondContact O-N 2.88Å; G381-M383 PolarHBondContact O-N 3.35Å |
| 382 | K | 56.8 | Low | 53.2 | Low | 169 Ų | 169 | 126.2 Ų | 126.2 | 74% | 0.735 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 0.8 | -178 | -158.6 | 165.9 | -177.5 | 176.1 | 0 | 114.5 | A380 | A380-K382 PolarHBondContact O-N 3.48Š|
| 383 | M | 52.7 | Low | 52 | Low | 167 Ų | 167 | 126.5 Ų | 126.5 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 14.4 | -178.4 | -64.6 | -82.9 | 85.2 | 0 | 0 | 114.1 | A380 G381 | A380-M383 PolarHBondContact O-N 3.31Å; G381-M383 PolarHBondContact O-N 3.35Å |
| 384 | R | 50.9 | Low | 49.9 | Very low | 232 Ų | 232 | 125.4 Ų | 125.4 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | trans | -119.6 | 18.5 | -176.5 | -139 | -178.7 | -162.2 | -139.3 | 1.9 | 116.1 | Q386 | R384-Q386 PolarHBondContact O-N 3.24Š| ||
| 385 | S | 48.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -93 | 61.5 | 178.1 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 386 | Q | 39.1 | Very low | 46 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -152.3 | 124.9 | 170.4 | -111.5 | 169.2 | 14.6 | 0 | 0 | 112.8 | R384 | R384-Q386 PolarHBondContact O-N 3.24Š| ||
| 387 | C | 30.6 | Very low | 44.8 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 70 | 106.2 | 156.4 | -57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 388 | H | 32.4 | Very low | 43.1 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | 57.8 | 134.6 | 124.6 | -60.1 | 109 | 0 | 0 | 0 | 123.3 | |||||
| 389 | S | 29.7 | Very low | 41.4 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -128.5 | 142.4 | 166.7 | -55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 390 | P | 46.7 | Very low | 39.7 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -114.6 | 157.9 | 170 | 38.6 | -29.9 | 0 | 0 | 0 | 113.6 | ||||
| 391 | G | 31.2 | Very low | 38.4 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 129.5 | 108 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 392 | L | 30.7 | Very low | 37.2 | Very low | 169 Ų | 169 | 132 Ų | 132 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -94.4 | 177.5 | 161.3 | -86.3 | 167.5 | 0 | 0 | 0 | 109.2 | ||||
| 393 | P | 43.4 | Very low | 36 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | cis | -152.6 | 172.2 | 28.7 | 43.8 | -22.6 | 0 | 0 | 0 | 121 | ||||
| 394 | G | 28.6 | Very low | 35.1 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 89.9 | 144.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 395 | S | 29.9 | Very low | 34.6 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | cis | -154.8 | 169.1 | -4.6 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 396 | S | 33.1 | Very low | 34 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -70.9 | -178.7 | -173.8 | -125.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 397 | P | 47.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | cis | -137.4 | 174.1 | -2.6 | 33.9 | -12.6 | 0 | 0 | 0 | 117.3 | ||||
| 398 | V | 28.8 | Very low | 33.3 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 157.4 | 118.3 | 128.3 | 161.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 399 | S | 31 | Very low | 33.1 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 66.4 | 142.9 | 152.2 | 76.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 400 | S | 29.7 | Very low | 33.2 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 97.2 | 101.6 | 141.7 | -58.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 401 | C | 30.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | 82 | 108.9 | 132.2 | -58 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 402 | T | 30.6 | Very low | 32.1 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 64 | 106.1 | 134.6 | 52.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 403 | S | 31.1 | Very low | 32.1 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 165.8 | 145.6 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 404 | T | 33 | Very low | 31.4 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -158.8 | 164.2 | 40.4 | 36.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 405 | P | 40.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -98 | 143.1 | -178.3 | 37.2 | -33.7 | 0 | 0 | 0 | 115.7 | ||||
| 406 | R | 35.5 | Very low | 31.4 | Very low | 236 Ų | 236 | 131.8 Ų | 131.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -177.8 | 153.5 | 168.7 | -109.7 | -169 | 177.6 | 179.4 | -1.2 | 109.7 | ||||
| 407 | T | 30.1 | Very low | 31.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | cis | -158.5 | 158 | -14.4 | -16.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 408 | S | 26.6 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -145.3 | 151.4 | 148.1 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 409 | Y | 27.9 | Very low | 30.5 | Very low | 208 Ų | 208 | 138.6 Ų | 138.6 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -149 | 110 | -168.5 | -172.1 | -85.9 | 0 | 0 | 0 | 113 | ||||
| 410 | Y | 32.2 | Very low | 30.4 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -175.8 | 134.1 | 152 | -114.8 | -79.7 | 0 | 0 | 0 | 106.1 | ||||
| 411 | G | 26.8 | Very low | 30.4 | Very low | 53 Ų | 53 | 143.3 Ų | 143.3 | 55% | 0.546 | 79% | 0.792 | S | S | . | * | cis | 157.9 | 87.5 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 412 | S | 27.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -165.4 | 145.6 | 168.2 | -79.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 413 | D | 29.3 | Very low | 31.4 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -99.5 | 148.6 | -162.3 | -54.1 | -83.8 | 0 | 0 | 0 | 114.8 | ||||
| 414 | N | 28.7 | Very low | 31.2 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -137.7 | 77.8 | 159.6 | -81.8 | 121.5 | 0 | 0 | 0 | 111 | ||||
| 415 | A | 29.9 | Very low | 30.9 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -69.6 | 163.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 416 | S | 28.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -131.1 | 155.3 | -168.7 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 417 | F | 27.7 | Very low | 29.8 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | 63.4 | 122.7 | 171 | -97.6 | -96.5 | 0 | 0 | 0 | 118.2 | ||||
| 418 | I | 30.2 | Very low | 29.8 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | -173.9 | 123.8 | 125.5 | -97 | -67.5 | 0 | 0 | 0 | 109.5 | |||||
| 419 | L | 32.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | 51 | 135 | 143.7 | -158 | 62.2 | 0 | 0 | 0 | 124 | ||||
| 420 | E | 30.1 | Very low | 30 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 59.9 | 159.7 | 154.6 | -76.6 | 174.4 | 148.1 | 0 | 0 | 120.8 | ||||
| 421 | D | 28.7 | Very low | 29.9 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | cis | -151.3 | 128 | -34.9 | -170.8 | 47.9 | 0 | 0 | 0 | 112.2 | ||||
| 422 | K | 35.1 | Very low | 30.1 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 47.3 | -162.2 | 150.7 | -124 | -176.3 | -179.6 | 171.3 | 0 | 118.9 | ||||
| 423 | P | 47.5 | Very low | 30.5 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -134.3 | 178 | -133.1 | 45.4 | -25.8 | 0 | 0 | 0 | 117.5 | ||||
| 424 | G | 26.6 | Very low | 30.6 | Very low | 62 Ų | 62 | 139.1 Ų | 139.1 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | 153.1 | 146.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 425 | S | 27.4 | Very low | 30.9 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 60.5 | 135.3 | 166.5 | 57.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 426 | S | 26.6 | Very low | 31.2 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | 98.7 | 141 | 9.9 | 84.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 427 | S | 25.3 | Very low | 31.5 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 80.4 | 142.6 | 177 | -145.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 428 | A | 29.9 | Very low | 31.6 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -134.5 | 142.9 | -3.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 429 | Q | 28.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | 37.1 | 115.8 | 86 | -103.3 | -162.9 | -43.6 | 0 | 0 | 116.4 | E431 | Q429-E431 PolarHBondContact NE2-OE2 3.05Š| |||
| 430 | R | 31.3 | Very low | 32.4 | Very low | 248 Ų | 248 | 132.1 Ų | 132.1 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | -150.6 | 160.5 | 94.7 | -79.4 | -152.3 | 178.7 | -160.2 | -1.2 | 111 | |||||
| 431 | E | 29.7 | Very low | 32.7 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -111.8 | 158.6 | -177.2 | -63.6 | 145.5 | 93.1 | 0 | 0 | 110.3 | Q429 | Q429-E431 PolarHBondContact NE2-OE2 3.05Š| ||
| 432 | D | 30.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -155.2 | 107.6 | 141.8 | -123.8 | -32.6 | 0 | 0 | 0 | 114.9 | ||||
| 433 | S | 35.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | 52.1 | 80.3 | 129.8 | -51.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 434 | N | 33 | Very low | 33.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | 28.2 | 125.8 | 128.4 | -64.5 | -37 | 0 | 0 | 0 | 121.9 | |||||
| 435 | H | 33.3 | Very low | 33.8 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | -149.5 | 158.5 | 113.5 | -132.8 | -92 | 0 | 0 | 0 | 112 | |||||
| 436 | S | 36.2 | Very low | 34.6 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -133.6 | 148.7 | -160.2 | -179.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 437 | V | 35.3 | Very low | 35.8 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | 176.9 | 135.6 | 141.3 | 145.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 438 | G | 30.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 171.3 | -9.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 439 | G | 33.4 | Very low | 38.4 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 86.5 | -177.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 440 | P | 46.3 | Very low | 40.3 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -127.5 | 155.5 | -148.3 | 40.4 | -27.8 | 0 | 0 | 0 | 117.5 | ||||
| 441 | K | 36.3 | Very low | 42.3 | Very low | 216 Ų | 216 | 125.8 Ų | 125.8 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -171 | 172.8 | 130.2 | -103.9 | 154.1 | -168.5 | 174.1 | 0 | 113.8 | ||||
| 442 | R | 44.6 | Very low | 44.4 | Very low | 218 Ų | 218 | 124.6 Ų | 124.6 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | -134.2 | 126.1 | -163.2 | -176.4 | -174.6 | -165.8 | -98.7 | 8.5 | 111.1 | ||||
| 443 | L | 41.8 | Very low | 46.6 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 28.8 | 115.2 | 153.6 | -57.9 | 169.4 | 0 | 0 | 0 | 119.9 | ||||
| 444 | G | 36.8 | Very low | 48.5 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | 89.4 | 126.4 | 106.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 445 | Q | 37 | Very low | 50.6 | Low | 170 Ų | 170 | 118.1 Ų | 118.1 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -151.2 | 157.5 | 145.2 | -106.9 | -174.5 | -40.4 | 0 | 0 | 108.5 | ||||
| 446 | P | 44.7 | Very low | 52.5 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 85% | 0.851 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 137.3 | -179.5 | 30.4 | -33.7 | 0 | 0 | 0 | 111 | ||
| 447 | G | 52.6 | Low | 54.5 | Low | 80 Ų | 80 | 108.8 Ų | 108.8 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.6 | -3.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 448 | T | 56.1 | Low | 56.5 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 69% | 0.693 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -129.3 | 129.9 | 171.2 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | G450 | T448-G450 PolarHBondContact O-N 2.87Š|
| 449 | P | 52 | Low | 58.8 | Low | 100 Ų | 100 | 109.5 Ų | 109.5 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | trans | -56.4 | 127.9 | 170.9 | -27.5 | 36.8 | 0 | 0 | 0 | 111.1 | D453 | P449-D453 HydrophobicContact CB-CB 4.08Å; P449-D453 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 450 | G | 69.4 | Low | 60.8 | Low | 43 Ų | 43 | 111.3 Ų | 111.3 | 44% | 0.443 | 64% | 0.639 | S | S | . | * | trans | -72.3 | 166.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T448 Q452 D453 L454 | T448-G450 PolarHBondContact O-N 2.87Å; G450-Q452 PolarHBondContact O-N 2.85Å; G450-Q452 VanDerWaalsContact O-N 3.13Å; G450-D453 WeakPolarHBondContact O-CA 3.39Å; G450-D453 WeakPolarHBondContact O-CB 3.36Å; G450-D453 PolarHBondContact O-N 3.4Å; G450-L454 PolarHBondContact O-N 2.85Å | ||
| 451 | G | 73.6 | Confident | 61.9 | Low | 64 Ų | 64 | 110.5 Ų | 110.5 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -56 | -31.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E455 | G451-E455 PolarHBondContact O-N 3.33Å |
| 452 | Q | 73.3 | Confident | 63.9 | Low | 123 Ų | 123 | 103.5 Ų | 103.5 | 58% | 0.575 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.2 | -35.2 | 173.6 | -168.6 | 60.9 | 77 | 0 | 0 | 113.2 | G450 E455 T456 | G450-Q452 PolarHBondContact O-N 2.85Å; G450-Q452 VanDerWaalsContact O-N 3.13Å; Q452-E455 PolarHBondContact NE2-OE2 3.01Å; Q452-E455 WeakPolarHBondContact O-CB 3.49Å; Q452-E455 PolarHBondContact O-N 3.39Å; Q452-T456 PolarHBondContact O-N 3.44Å; Q452-T456 PolarHBondContact O-OG1 3.44Å; Q452-T456 VanDerWaalsContact O-OG1 3.1Å |
| 453 | D | 76.3 | Confident | 65 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 47% | 0.465 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -77.6 | -36.7 | -178.5 | -163.5 | 23.4 | 0 | 0 | 0 | 110.6 | P449 G450 E455 T456 A457 | P449-D453 HydrophobicContact CB-CB 4.08Å; P449-D453 WeakPolarHBondContact CB-OD2 3.35Å; G450-D453 WeakPolarHBondContact O-CA 3.39Å; G450-D453 WeakPolarHBondContact O-CB 3.36Å; G450-D453 PolarHBondContact O-N 3.4Å; D453-E455 VanDerWaalsContact C-N 3.29Å; D453-E455 PolarHBondContact O-N 3.13Å; D453-T456 WeakPolarHBondContact CA-OG1 3.4Å; D453-T456 PolarHBondContact O-N 2.86Å; D453-T456 PolarHBondContact O-OG1 3.34Å; D453-T456 VanDerWaalsContact O-OG1 3.12Å; D453-A457 VanDerWaalsContact O-CB 3.29Å; D453-A457 WeakPolarHBondContact O-CB 3.27Å; D453-A457 PolarHBondContact O-N 2.96Å |
| 454 | L | 75.4 | Confident | 66.3 | Low | 101 Ų | 101 | 95.5 Ų | 95.5 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.1 | -37.8 | 164.1 | 178.2 | 62.2 | 0 | 0 | 0 | 111.7 | G450 A457 L458 | G450-L454 PolarHBondContact O-N 2.85Å; L454-A457 PolarHBondContact O-N 3Å; L454-L458 HydrophobicContact CD1-CD1 4.21Å; L454-L458 HydrophobicContact CD1-CG 4.24Å; L454-L458 HydrophobicContact CG-CD1 4.11Å; L454-L458 WeakPolarHBondContact O-CB 3.49Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 3.45Å |
| 455 | E | 77.8 | Confident | 67.7 | Low | 82 Ų | 82 | 98.5 Ų | 98.5 | 38% | 0.383 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.8 | -44.6 | 176.1 | -153.9 | -154.8 | 151.1 | 0 | 0 | 111.8 | G451 Q452 D453 L458 R459 | G451-E455 PolarHBondContact O-N 3.33Å; Q452-E455 PolarHBondContact NE2-OE2 3.01Å; Q452-E455 WeakPolarHBondContact O-CB 3.49Å; Q452-E455 PolarHBondContact O-N 3.39Å; D453-E455 VanDerWaalsContact C-N 3.29Å; D453-E455 PolarHBondContact O-N 3.13Å; E455-L458 PolarHBondContact O-N 2.81Å; E455-R459 WeakPolarHBondContact O-CG 3.24Å; E455-R459 PolarHBondContact O-N 3.12Å; E455-R459 IonicContact OE1-CZ 3.38Å; E455-R459 VanDerWaalsContact OE1-CZ 3.31Å; E455-R459 IonicContact OE1-NE 2.66Å; E455-R459 PolarHBondContact OE1-NE 3.09Å; E455-R459 VanDerWaalsContact OE1-NE 3.15Å; E455-R459 IonicContact OE1-NH2 2.68Å; E455-R459 PolarHBondContact OE1-NH2 3.14Å; E455-R459 IonicContact OE2-NH2 3.81Å; E455-R459 PolarHBondContact OE2-NH2 3.39Å |
| 456 | T | 73.6 | Confident | 69 | Low | 54 Ų | 54 | 97.3 Ų | 97.3 | 33% | 0.331 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.6 | -36.5 | 172.3 | 29.6 | 0 | 0 | 0 | 0 | 112.5 | Q452 D453 L458 R459 N460 | Q452-T456 PolarHBondContact O-N 3.44Å; Q452-T456 PolarHBondContact O-OG1 3.44Å; Q452-T456 VanDerWaalsContact O-OG1 3.1Å; D453-T456 WeakPolarHBondContact CA-OG1 3.4Å; D453-T456 PolarHBondContact O-N 2.86Å; D453-T456 PolarHBondContact O-OG1 3.34Å; D453-T456 VanDerWaalsContact O-OG1 3.12Å; T456-L458 VanDerWaalsContact C-N 3.34Å; T456-L458 PolarHBondContact O-N 3.3Å; T456-R459 PolarHBondContact O-N 3.09Å; T456-N460 VanDerWaalsContact O-CB 3.26Å; T456-N460 WeakPolarHBondContact O-CB 3.48Å; T456-N460 PolarHBondContact O-N 2.93Å; T456-N460 PolarHBondContact O-ND2 2.97Å |
| 457 | A | 77.9 | Confident | 69.2 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D453 L454 N460 L461 | D453-A457 VanDerWaalsContact O-CB 3.29Å; D453-A457 WeakPolarHBondContact O-CB 3.27Å; D453-A457 PolarHBondContact O-N 2.96Å; L454-A457 PolarHBondContact O-N 3Å; A457-N460 PolarHBondContact O-N 2.88Å; A457-L461 WeakPolarHBondContact O-CB 3.32Å; A457-L461 PolarHBondContact O-N 3.5Å |
| 458 | L | 77.1 | Confident | 69.2 | Low | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71 | -36.6 | 176 | -74.3 | 170.8 | 0 | 0 | 0 | 112.9 | L454 E455 T456 L461 S462 | L454-L458 HydrophobicContact CD1-CD1 4.21Å; L454-L458 HydrophobicContact CD1-CG 4.24Å; L454-L458 HydrophobicContact CG-CD1 4.11Å; L454-L458 WeakPolarHBondContact O-CB 3.49Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 3.45Å; E455-L458 PolarHBondContact O-N 2.81Å; T456-L458 VanDerWaalsContact C-N 3.34Å; T456-L458 PolarHBondContact O-N 3.3Å; L458-L461 PolarHBondContact O-N 3.22Å; L458-S462 WeakPolarHBondContact O-CB 3.5Å; L458-S462 PolarHBondContact O-N 3.23Å |
| 459 | R | 79.8 | Confident | 69 | Low | 140 Ų | 140 | 93.6 Ų | 93.6 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 171.2 | -68.9 | -170.4 | -148.3 | 153 | 2 | 111.6 | E455 T456 S462 A463 | E455-R459 WeakPolarHBondContact O-CG 3.24Å; E455-R459 PolarHBondContact O-N 3.12Å; E455-R459 IonicContact OE1-CZ 3.38Å; E455-R459 VanDerWaalsContact OE1-CZ 3.31Å; E455-R459 IonicContact OE1-NE 2.66Å; E455-R459 PolarHBondContact OE1-NE 3.09Å; E455-R459 VanDerWaalsContact OE1-NE 3.15Å; E455-R459 IonicContact OE1-NH2 2.68Å; E455-R459 PolarHBondContact OE1-NH2 3.14Å; E455-R459 IonicContact OE2-NH2 3.81Å; E455-R459 PolarHBondContact OE2-NH2 3.39Å; T456-R459 PolarHBondContact O-N 3.09Å; R459-S462 PolarHBondContact O-N 3.43Å; R459-A463 WeakPolarHBondContact O-CB 3.33Å; R459-A463 PolarHBondContact O-N 2.93Å |
| 460 | N | 74.6 | Confident | 68.9 | Low | 114 Ų | 114 | 93.1 Ų | 93.1 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -36.9 | 176.4 | -70.8 | -14.4 | 0 | 0 | 0 | 111.8 | T456 A457 R464 | T456-N460 VanDerWaalsContact O-CB 3.26Å; T456-N460 WeakPolarHBondContact O-CB 3.48Å; T456-N460 PolarHBondContact O-N 2.93Å; T456-N460 PolarHBondContact O-ND2 2.97Å; A457-N460 PolarHBondContact O-N 2.88Å; N460-R464 VanDerWaalsContact O-CB 3.25Å; N460-R464 WeakPolarHBondContact O-CB 3.49Å; N460-R464 PolarHBondContact O-N 3.28Å |
| 461 | L | 70.5 | Confident | 67.8 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 173.1 | -165.2 | 76.9 | 0 | 0 | 0 | 110.9 | A457 L458 R464 Q465 | A457-L461 WeakPolarHBondContact O-CB 3.32Å; A457-L461 PolarHBondContact O-N 3.5Å; L458-L461 PolarHBondContact O-N 3.22Å; L461-R464 PolarHBondContact O-N 3.06Å; L461-Q465 WeakPolarHBondContact O-CB 3.21Å; L461-Q465 PolarHBondContact O-N 3.13Å |
| 462 | S | 76.8 | Confident | 67 | Low | 68 Ų | 68 | 98.1 Ų | 98.1 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | L458 R459 Q465 Q466 | L458-S462 WeakPolarHBondContact O-CB 3.5Å; L458-S462 PolarHBondContact O-N 3.23Å; R459-S462 PolarHBondContact O-N 3.43Å; S462-Q465 PolarHBondContact O-N 2.98Å; S462-Q466 WeakPolarHBondContact O-CB 3.12Å; S462-Q466 PolarHBondContact O-N 3.21Å |
| 463 | A | 68.6 | Low | 66.2 | Low | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R459 Q465 Q466 S467 | R459-A463 WeakPolarHBondContact O-CB 3.33Å; R459-A463 PolarHBondContact O-N 2.93Å; A463-Q465 VanDerWaalsContact C-N 3.34Å; A463-Q465 PolarHBondContact O-N 3.23Å; A463-Q466 CarbonylContact O-C 3.59Å; A463-Q466 WeakPolarHBondContact O-CB 3.5Å; A463-Q466 PolarHBondContact O-N 2.96Å; A463-S467 PolarHBondContact O-N 3.17Å; A463-S467 PolarHBondContact O-OG 3.07Å; A463-S467 VanDerWaalsContact O-OG 3.09Å |
| 464 | R | 68.3 | Low | 64.9 | Low | 158 Ų | 158 | 98.9 Ų | 98.9 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -35.1 | 175.9 | -176.9 | 177.4 | 175.9 | -178.9 | 2.8 | 113 | N460 L461 Q466 S467 H468 | N460-R464 VanDerWaalsContact O-CB 3.25Å; N460-R464 WeakPolarHBondContact O-CB 3.49Å; N460-R464 PolarHBondContact O-N 3.28Å; L461-R464 PolarHBondContact O-N 3.06Å; R464-Q466 VanDerWaalsContact C-N 3.32Å; R464-S467 WeakPolarHBondContact O-CB 3.23Å; R464-S467 PolarHBondContact O-N 2.89Å; R464-H468 PolarHBondContact NE-NE2 3.25Å; R464-H468 WeakPolarHBondContact O-CB 3.27Å; R464-H468 PolarHBondContact O-CD2 3.39Å; R464-H468 PolarHBondContact O-N 3.07Å |
| 465 | Q | 66.8 | Low | 63.8 | Low | 140 Ų | 140 | 101.8 Ų | 101.8 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.4 | -30.6 | 175.5 | -169.9 | 172.5 | 19.9 | 0 | 0 | 111.3 | L461 S462 A463 A469 | L461-Q465 WeakPolarHBondContact O-CB 3.21Å; L461-Q465 PolarHBondContact O-N 3.13Å; S462-Q465 PolarHBondContact O-N 2.98Å; A463-Q465 VanDerWaalsContact C-N 3.34Å; A463-Q465 PolarHBondContact O-N 3.23Å; Q465-A469 PolarHBondContact O-N 3.48Å; Q465-A469 VanDerWaalsContact O-N 3.11Å |
| 466 | Q | 63.5 | Low | 63.1 | Low | 144 Ų | 144 | 100 Ų | 100 | 67% | 0.673 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72 | -39.3 | 169.9 | -162.7 | 170.4 | 18.6 | 0 | 0 | 111.3 | S462 A463 R464 A469 S470 | S462-Q466 WeakPolarHBondContact O-CB 3.12Å; S462-Q466 PolarHBondContact O-N 3.21Å; A463-Q466 CarbonylContact O-C 3.59Å; A463-Q466 WeakPolarHBondContact O-CB 3.5Å; A463-Q466 PolarHBondContact O-N 2.96Å; R464-Q466 VanDerWaalsContact C-N 3.32Å; Q466-A469 WeakPolarHBondContact O-CB 3.35Å; Q466-A469 PolarHBondContact O-N 3.44Å; Q466-A469 VanDerWaalsContact O-N 3.13Å; Q466-S470 PolarHBondContact O-N 2.97Å; Q466-S470 PolarHBondContact O-OG 3.3Å |
| 467 | S | 50.5 | Low | 62.9 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 169.6 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | A463 R464 A469 S470 D471 | A463-S467 PolarHBondContact O-N 3.17Å; A463-S467 PolarHBondContact O-OG 3.07Å; A463-S467 VanDerWaalsContact O-OG 3.09Å; R464-S467 WeakPolarHBondContact O-CB 3.23Å; R464-S467 PolarHBondContact O-N 2.89Å; S467-A469 PolarHBondContact O-N 2.75Å; S467-S470 WeakPolarHBondContact CA-OG 3.47Å; S467-S470 CarbonylContact O-C 3.59Å; S467-S470 WeakPolarHBondContact O-CA 3.36Å; S467-S470 PolarHBondContact O-N 3.21Å; S467-S470 PolarHBondContact O-OG 3.4Å; S467-D471 PolarHBondContact O-N 2.78Å |
| 468 | H | 51.8 | Low | 62.5 | Low | 107 Ų | 107 | 100.5 Ų | 100.5 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71 | -7.2 | 176.2 | -66 | -30 | 0 | 0 | 0 | 114 | R464 D471 | R464-H468 PolarHBondContact NE-NE2 3.25Å; R464-H468 WeakPolarHBondContact O-CB 3.27Å; R464-H468 PolarHBondContact O-CD2 3.39Å; R464-H468 PolarHBondContact O-N 3.07Å; H468-D471 IonicContact CE1-OD2 2.66Å; H468-D471 IonicContact CG-OD2 2.71Å; H468-D471 IonicContact ND1-OD2 3.04Å; H468-D471 PolarHBondContact ND1-OD2 3.49Å |
| 469 | A | 52.7 | Low | 62.2 | Low | 83 Ų | 83 | 102.5 Ų | 102.5 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -88.4 | -20.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q465 Q466 S467 | Q465-A469 PolarHBondContact O-N 3.48Å; Q465-A469 VanDerWaalsContact O-N 3.11Å; Q466-A469 WeakPolarHBondContact O-CB 3.35Å; Q466-A469 PolarHBondContact O-N 3.44Å; Q466-A469 VanDerWaalsContact O-N 3.13Å; S467-A469 PolarHBondContact O-N 2.75Å |
| 470 | S | 49.6 | Very low | 61.9 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -92.7 | -22.3 | 170.1 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | Q466 S467 R472 | Q466-S470 PolarHBondContact O-N 2.97Å; Q466-S470 PolarHBondContact O-OG 3.3Å; S467-S470 WeakPolarHBondContact CA-OG 3.47Å; S467-S470 CarbonylContact O-C 3.59Å; S467-S470 WeakPolarHBondContact O-CA 3.36Å; S467-S470 PolarHBondContact O-N 3.21Å; S467-S470 PolarHBondContact O-OG 3.4Å; S470-R472 PolarHBondContact O-N 2.92Å |
| 471 | D | 46 | Very low | 61.9 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | trans | -71.6 | 59.3 | 175.4 | -64.7 | -30.1 | 0 | 0 | 0 | 111.8 | S467 H468 | S467-D471 PolarHBondContact O-N 2.78Å; H468-D471 IonicContact CE1-OD2 2.66Å; H468-D471 IonicContact CG-OD2 2.71Å; H468-D471 IonicContact ND1-OD2 3.04Å; H468-D471 PolarHBondContact ND1-OD2 3.49Å | ||
| 472 | R | 56.3 | Low | 62 | Low | 116 Ų | 116 | 101.8 Ų | 101.8 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | trans | -63.3 | 129.3 | 162.6 | -76.3 | -180 | 171.4 | -136.9 | 16.5 | 108.1 | S470 D476 V477 E480 | S470-R472 PolarHBondContact O-N 2.92Å; R472-D476 HydrophobicContact CB-CB 4.26Å; R472-V477 HydrophobicContact CB-CG2 3.65Å; R472-E480 IonicContact CZ-OE1 3.44Å; R472-E480 IonicContact CZ-OE2 2.69Å; R472-E480 IonicContact NH1-OE1 2.75Å; R472-E480 PolarHBondContact NH1-OE1 2.94Å; R472-E480 IonicContact NH1-OE2 2.72Å; R472-E480 IonicContact NH2-OE1 2.71Å; R472-E480 PolarHBondContact NH2-OE1 2.83Å; R472-E480 IonicContact NH2-OE2 2.56Å | ||
| 473 | P | 56.4 | Low | 61.5 | Low | 74 Ų | 74 | 103.1 Ų | 103.1 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | trans | -59.4 | 149 | 173.9 | 26.6 | -34 | 0 | 0 | 0 | 109.7 | F475 D476 V477 | P473-F475 PolarHBondContact O-N 3.11Å; P473-D476 WeakPolarHBondContact CD-OD2 3.49Å; P473-D476 HydrophobicContact CG-CB 4.01Å; P473-D476 WeakPolarHBondContact CG-OD2 3.47Å; P473-D476 PolarHBondContact O-N 3.29Å; P473-V477 PolarHBondContact O-N 2.88Å | ||
| 474 | F | 48.8 | Very low | 61.7 | Low | 151 Ų | 151 | 108.8 Ų | 108.8 | 66% | 0.662 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -45.9 | -39.3 | -178.1 | 176.8 | -102.3 | 0 | 0 | 0 | 113.1 | V477 E478 | F474-V477 PolarHBondContact O-N 3.14Å; F474-E478 WeakPolarHBondContact O-CB 3.3Å; F474-E478 PolarHBondContact O-N 3.01Å |
| 475 | F | 53 | Low | 61.8 | Low | 162 Ų | 162 | 103.6 Ų | 103.6 | 71% | 0.711 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -31.1 | 176.8 | -58.9 | -73.4 | 0 | 0 | 0 | 114.9 | P473 R479 | P473-F475 PolarHBondContact O-N 3.11Å; F475-R479 WeakPolarHBondContact O-CB 3.16Å; F475-R479 PolarHBondContact O-N 3.37Å |
| 476 | D | 63.4 | Low | 61.7 | Low | 46 Ų | 46 | 102.3 Ų | 102.3 | 25% | 0.246 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -75.7 | -34.1 | 172.6 | -86.2 | -45.6 | 0 | 0 | 0 | 112 | R472 P473 R479 E480 | R472-D476 HydrophobicContact CB-CB 4.26Å; P473-D476 WeakPolarHBondContact CD-OD2 3.49Å; P473-D476 HydrophobicContact CG-CB 4.01Å; P473-D476 WeakPolarHBondContact CG-OD2 3.47Å; P473-D476 PolarHBondContact O-N 3.29Å; D476-R479 IonicContact OD1-CZ 3.52Å; D476-R479 IonicContact OD1-NH1 2.63Å; D476-R479 PolarHBondContact OD1-NH1 2.78Å; D476-R479 IonicContact OD1-NH2 2.65Å; D476-R479 PolarHBondContact OD1-NH2 3.15Å; D476-E480 WeakPolarHBondContact O-CB 3.49Å; D476-E480 PolarHBondContact O-N 3.32Å |
| 477 | V | 68.6 | Low | 61.7 | Low | 71 Ų | 71 | 98.1 Ų | 98.1 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | R472 P473 F474 E480 R481 | R472-V477 HydrophobicContact CB-CG2 3.65Å; P473-V477 PolarHBondContact O-N 2.88Å; F474-V477 PolarHBondContact O-N 3.14Å; V477-E480 PolarHBondContact O-N 2.94Å; V477-R481 WeakPolarHBondContact O-CB 3.33Å; V477-R481 PolarHBondContact O-N 3.29Å |
| 478 | E | 68.9 | Low | 62.1 | Low | 44 Ų | 44 | 98.7 Ų | 98.7 | 21% | 0.206 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -71.9 | -33.9 | 178.4 | -169.9 | 55.8 | -149.3 | 0 | 0 | 112.1 | F474 R481 K482 | F474-E478 WeakPolarHBondContact O-CB 3.3Å; F474-E478 PolarHBondContact O-N 3.01Å; E478-R481 WeakPolarHBondContact OE2-CD 3.48Å; E478-R481 IonicContact OE2-CZ 3.85Å; E478-R481 IonicContact OE2-NE 3.67Å; E478-R481 IonicContact OE2-NH1 3.47Å; E478-R481 PolarHBondContact OE2-NH1 3.41Å; E478-K482 WeakPolarHBondContact O-CB 3.26Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 2.99Å; E478-K482 WeakPolarHBondContact OE1-CE 3.45Å; E478-K482 IonicContact OE1-NZ 2.73Å |
| 479 | R | 70.9 | Confident | 62.2 | Low | 141 Ų | 141 | 99.9 Ų | 99.9 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 170.1 | -168.2 | -176.2 | 73.8 | -114.5 | -11.2 | 111.4 | F475 D476 K482 L483 | F475-R479 WeakPolarHBondContact O-CB 3.16Å; F475-R479 PolarHBondContact O-N 3.37Å; D476-R479 IonicContact OD1-CZ 3.52Å; D476-R479 IonicContact OD1-NH1 2.63Å; D476-R479 PolarHBondContact OD1-NH1 2.78Å; D476-R479 IonicContact OD1-NH2 2.65Å; D476-R479 PolarHBondContact OD1-NH2 3.15Å; R479-K482 PolarHBondContact O-N 2.91Å; R479-L483 HydrophobicContact CG-CD1 4.1Å; R479-L483 WeakPolarHBondContact O-CB 3.46Å; R479-L483 WeakPolarHBondContact O-CG 3.49Å; R479-L483 PolarHBondContact O-N 2.86Å |
| 480 | E | 73.3 | Confident | 62.2 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 26% | 0.257 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.6 | -35.2 | 176.8 | -165.5 | 173.5 | -82.3 | 0 | 0 | 112.2 | R472 D476 V477 K482 L483 R484 | R472-E480 IonicContact CZ-OE1 3.44Å; R472-E480 IonicContact CZ-OE2 2.69Å; R472-E480 IonicContact NH1-OE1 2.75Å; R472-E480 PolarHBondContact NH1-OE1 2.94Å; R472-E480 IonicContact NH1-OE2 2.72Å; R472-E480 IonicContact NH2-OE1 2.71Å; R472-E480 PolarHBondContact NH2-OE1 2.83Å; R472-E480 IonicContact NH2-OE2 2.56Å; D476-E480 WeakPolarHBondContact O-CB 3.49Å; D476-E480 PolarHBondContact O-N 3.32Å; V477-E480 PolarHBondContact O-N 2.94Å; E480-K482 VanDerWaalsContact C-N 3.33Å; E480-K482 PolarHBondContact O-N 2.99Å; E480-L483 PolarHBondContact O-N 3.09Å; E480-R484 HydrophobicContact CG-CG 4.4Å; E480-R484 WeakPolarHBondContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.14Å; E480-R484 IonicContact OE2-CZ 3.45Å; E480-R484 IonicContact OE2-NE 3.17Å; E480-R484 IonicContact OE2-NH2 2.78Å; E480-R484 PolarHBondContact OE2-NH2 3.13Å |
| 481 | R | 74.9 | Confident | 62.1 | Low | 160 Ų | 160 | 104.6 Ų | 104.6 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.4 | -47.5 | 168.3 | 177.6 | -174.1 | -86.3 | 155.8 | -14.4 | 110.6 | V477 E478 R484 A485 | V477-R481 WeakPolarHBondContact O-CB 3.33Å; V477-R481 PolarHBondContact O-N 3.29Å; E478-R481 WeakPolarHBondContact OE2-CD 3.48Å; E478-R481 IonicContact OE2-CZ 3.85Å; E478-R481 IonicContact OE2-NE 3.67Å; E478-R481 IonicContact OE2-NH1 3.47Å; E478-R481 PolarHBondContact OE2-NH1 3.41Å; R481-R484 PolarHBondContact O-N 3.36Å; R481-A485 WeakPolarHBondContact O-CB 3.39Å; R481-A485 PolarHBondContact O-N 3.39Å |
| 482 | K | 72.9 | Confident | 61.7 | Low | 125 Ų | 125 | 109 Ų | 109 | 54% | 0.543 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.5 | -73.8 | 173 | -179.7 | 173.9 | 0 | 112.8 | E478 R479 E480 A485 L486 | E478-K482 WeakPolarHBondContact O-CB 3.26Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 2.99Å; E478-K482 WeakPolarHBondContact OE1-CE 3.45Å; E478-K482 IonicContact OE1-NZ 2.73Å; R479-K482 PolarHBondContact O-N 2.91Å; E480-K482 VanDerWaalsContact C-N 3.33Å; E480-K482 PolarHBondContact O-N 2.99Å; K482-A485 PolarHBondContact O-N 3.1Å; K482-L486 WeakPolarHBondContact O-CG 3.49Å; K482-L486 PolarHBondContact O-N 2.98Å |
| 483 | L | 65.9 | Low | 60.9 | Low | 97 Ų | 97 | 106.9 Ų | 106.9 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -38.5 | 173.9 | -76.3 | 165.6 | 0 | 0 | 0 | 112.3 | R479 E480 L486 A487 | R479-L483 HydrophobicContact CG-CD1 4.1Å; R479-L483 WeakPolarHBondContact O-CB 3.46Å; R479-L483 WeakPolarHBondContact O-CG 3.49Å; R479-L483 PolarHBondContact O-N 2.86Å; E480-L483 PolarHBondContact O-N 3.09Å; L483-L486 PolarHBondContact O-N 2.59Å; L483-A487 WeakPolarHBondContact O-CB 3.47Å; L483-A487 PolarHBondContact O-N 3.44Å |
| 484 | R | 73.8 | Confident | 59.8 | Low | 167 Ų | 167 | 111.7 Ų | 111.7 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.6 | -35.2 | 173.5 | -69.8 | -171.5 | -148.4 | 177.5 | 6.9 | 112.5 | E480 R481 A487 A488 | E480-R484 HydrophobicContact CG-CG 4.4Å; E480-R484 WeakPolarHBondContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.14Å; E480-R484 IonicContact OE2-CZ 3.45Å; E480-R484 IonicContact OE2-NE 3.17Å; E480-R484 IonicContact OE2-NH2 2.78Å; E480-R484 PolarHBondContact OE2-NH2 3.13Å; R481-R484 PolarHBondContact O-N 3.36Å; R484-A487 PolarHBondContact O-N 2.85Å; R484-A488 VanDerWaalsContact O-CB 3.29Å; R484-A488 WeakPolarHBondContact O-CB 3.22Å; R484-A488 PolarHBondContact O-N 3.42Å |
| 485 | A | 70.3 | Confident | 58.9 | Low | 50 Ų | 50 | 107.9 Ų | 107.9 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -43.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R481 K482 A488 N489 | R481-A485 WeakPolarHBondContact O-CB 3.39Å; R481-A485 PolarHBondContact O-N 3.39Å; K482-A485 PolarHBondContact O-N 3.1Å; A485-A488 PolarHBondContact O-N 3.16Å; A485-N489 PolarHBondContact O-N 3.34Å; A485-N489 VanDerWaalsContact O-N 3.12Å; A485-N489 PolarHBondContact O-ND2 2.92Å; A485-N489 PolarHBondContact O-OD1 3.36Å |
| 486 | L | 65.1 | Low | 57.8 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.6 | -38.9 | 174.1 | -70.1 | 169.3 | 0 | 0 | 0 | 112.4 | K482 L483 N489 C490 | K482-L486 WeakPolarHBondContact O-CG 3.49Å; K482-L486 PolarHBondContact O-N 2.98Å; L483-L486 PolarHBondContact O-N 2.59Å; L486-N489 PolarHBondContact O-N 2.72Å; L486-C490 PolarHBondContact O-SG 3.47Å |
| 487 | A | 62.3 | Low | 56.4 | Low | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.5 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L483 R484 N489 C490 | L483-A487 WeakPolarHBondContact O-CB 3.47Å; L483-A487 PolarHBondContact O-N 3.44Å; R484-A487 PolarHBondContact O-N 2.85Å; A487-N489 PolarHBondContact O-N 3.24Å; A487-C490 WeakPolarHBondContact O-CB 3.39Å; A487-C490 PolarHBondContact O-N 3.01Å |
| 488 | A | 60.1 | Low | 54.6 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 56% | 0.562 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.3 | -35.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R484 A485 C490 | R484-A488 VanDerWaalsContact O-CB 3.29Å; R484-A488 WeakPolarHBondContact O-CB 3.22Å; R484-A488 PolarHBondContact O-N 3.42Å; A485-A488 PolarHBondContact O-N 3.16Å; A488-C490 PolarHBondContact O-N 2.84Å; A488-C490 VanDerWaalsContact O-N 3.15Å |
| 489 | N | 53.3 | Low | 52.7 | Low | 133 Ų | 133 | 115.3 Ų | 115.3 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 8.3 | 172.6 | -62.2 | -6.6 | 0 | 0 | 0 | 114 | A485 L486 A487 | A485-N489 PolarHBondContact O-N 3.34Å; A485-N489 VanDerWaalsContact O-N 3.12Å; A485-N489 PolarHBondContact O-ND2 2.92Å; A485-N489 PolarHBondContact O-OD1 3.36Å; L486-N489 PolarHBondContact O-N 2.72Å; A487-N489 PolarHBondContact O-N 3.24Å |
| 490 | C | 52.2 | Low | 50.8 | Low | 97 Ų | 97 | 116 Ų | 116 | 66% | 0.655 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -10.5 | 177.7 | -68.3 | 0 | 0 | 0 | 0 | 114.9 | L486 A487 A488 | L486-C490 PolarHBondContact O-SG 3.47Å; A487-C490 WeakPolarHBondContact O-CB 3.39Å; A487-C490 PolarHBondContact O-N 3.01Å; A488-C490 PolarHBondContact O-N 2.84Å; A488-C490 VanDerWaalsContact O-N 3.15Å |
| 491 | E | 46.8 | Very low | 49.1 | Very low | 174 Ų | 174 | 117.3 Ų | 117.3 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -98.2 | 2.4 | -178.9 | -74.2 | -73 | 138.7 | 0 | 0 | 114 | ||
| 492 | E | 38.6 | Very low | 47.2 | Very low | 190 Ų | 190 | 116.1 Ų | 116.1 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -109.5 | 78.5 | 162.2 | -73.3 | -164.8 | 147.3 | 0 | 0 | 110.1 | ||
| 493 | G | 39.6 | Very low | 45.2 | Very low | 70 Ų | 70 | 117.3 Ų | 117.3 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -89 | 114 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 494 | D | 32.4 | Very low | 43.6 | Very low | 175 Ų | 175 | 119.1 Ų | 119.1 | 94% | 0.936 | 72% | 0.717 | S | S | * | * | -149 | 142 | 122.1 | -131.5 | -23.1 | 0 | 0 | 0 | 111.7 | |||||
| 495 | G | 30.2 | Very low | 41.6 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | trans | -97.1 | 157.7 | -146.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 496 | S | 30.4 | Very low | 39.7 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -151.8 | 145.5 | 131.6 | -151.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 497 | S | 34.3 | Very low | 38.1 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -50.9 | 141.4 | -174.4 | 51.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 498 | G | 29.9 | Very low | 36.5 | Very low | 83 Ų | 83 | 123 Ų | 123 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -176.8 | 25.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 499 | F | 29.3 | Very low | 35 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | trans | -80.7 | 135.4 | -179.4 | -178 | -99 | 0 | 0 | 0 | 112.9 | T501 | F499-T501 HydrophobicContact CE2-CG2 3.87Å; F499-T501 HydrophobicContact CZ-CG2 4.09Å; F499-T501 VanDerWaalsContact CZ-OG1 3.28Å; F499-T501 WeakPolarHBondContact CZ-OG1 3.27Å | ||
| 500 | L | 31.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -168.2 | 112.5 | 132.8 | -105.1 | 169.2 | 0 | 0 | 0 | 111.4 | ||||
| 501 | T | 36.9 | Very low | 32.6 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 52% | 0.515 | 78% | 0.782 | S | S | . | * | trans | -79.1 | 160.6 | 165.8 | 52 | 0 | 0 | 0 | 0 | 111 | F499 | F499-T501 HydrophobicContact CE2-CG2 3.87Å; F499-T501 HydrophobicContact CZ-CG2 4.09Å; F499-T501 VanDerWaalsContact CZ-OG1 3.28Å; F499-T501 WeakPolarHBondContact CZ-OG1 3.27Å | ||
| 502 | P | 34.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -57.4 | 141.8 | 168.7 | -19.9 | 32.4 | 0 | 0 | 0 | 110.7 | ||||
| 503 | N | 32.1 | Very low | 31.4 | Very low | 150 Ų | 150 | 116.6 Ų | 116.6 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -131.8 | 132.3 | 176.6 | -175.7 | 56.8 | 0 | 0 | 0 | 109.7 | ||||
| 504 | D | 32 | Very low | 31 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -94.9 | 129.7 | -179.5 | -135.1 | -39.9 | 0 | 0 | 0 | 111.1 | ||||
| 505 | S | 32.2 | Very low | 30.8 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 43.1 | 96.1 | 154.7 | -58.5 | 0 | 0 | 0 | 0 | 120.5 | ||
| 506 | L | 30.2 | Very low | 30.8 | Very low | 169 Ų | 169 | 118 Ų | 118 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 65.2 | 119.3 | 136.4 | -59 | 175.7 | 0 | 0 | 0 | 121.8 | ||||
| 507 | A | 30.1 | Very low | 30.8 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 109.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 508 | S | 29.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 43.6 | 136.4 | 122.3 | -59.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 509 | S | 28.5 | Very low | 30.7 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -174.1 | 148.2 | -3.5 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 510 | S | 26.9 | Very low | 30.8 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 51.1 | 114 | 139.4 | -57.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 511 | A | 29.2 | Very low | 30.6 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | 96.3 | 163 | 123.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 512 | A | 30.4 | Very low | 30.5 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 73.5 | 119.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 513 | S | 29.4 | Very low | 30.5 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -73.9 | 178.7 | 170 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 514 | T | 30.4 | Very low | 30.6 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | 90.8 | 142.4 | 159.3 | -32 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 515 | G | 29.7 | Very low | 30.5 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 142 | 76.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 516 | T | 29.1 | Very low | 30.5 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -68 | 136.2 | 168.6 | 48.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 517 | N | 29.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 69.5 | 157.1 | 143.2 | -59.7 | -20.6 | 0 | 0 | 0 | 121.6 | ||||
| 518 | Y | 28.2 | Very low | 30.5 | Very low | 226 Ų | 226 | 125.6 Ų | 125.6 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | 101 | 131.7 | 155.8 | -68.7 | -70 | 0 | 0 | 0 | 120.6 | ||||
| 519 | S | 35.7 | Very low | 30.5 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -96.6 | 147.5 | -173.2 | -38.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 520 | N | 30.3 | Very low | 31 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -165.9 | 152.3 | 136.4 | -94.7 | -21.3 | 0 | 0 | 0 | 106.1 | ||||
| 521 | G | 28.1 | Very low | 31.2 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | cis | 92.9 | 135.8 | 31.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 522 | S | 34.3 | Very low | 31.2 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | cis | -172.2 | 137.9 | -6.5 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 523 | S | 34 | Very low | 31.3 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -170.3 | 124 | 157.6 | 46.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 524 | R | 35 | Very low | 31.6 | Very low | 231 Ų | 231 | 131.5 Ų | 131.5 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | cis | 80.7 | 91.4 | 42.2 | -75.5 | -168.4 | 126.9 | -159.6 | 0 | 115.8 | ||||
| 525 | H | 29.8 | Very low | 31.6 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | 178.1 | 165.9 | 129.7 | 54.9 | -81.5 | 0 | 0 | 0 | 109.4 | |||||
| 526 | S | 32.8 | Very low | 32 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | cis | -168.4 | 132.7 | -46.6 | -88.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 527 | C | 30.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | 51.4 | 160.4 | 170.3 | 60.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 528 | G | 28.9 | Very low | 33.3 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | 171.2 | 156.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 529 | S | 29.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | 66.4 | 97.1 | 167 | -61 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 530 | S | 39.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 92% | 0.923 | 80% | 0.804 | S | S | * | * | trans | 23.2 | 127.9 | 132.6 | -159.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 531 | G | 30.9 | Very low | 34.7 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 138.4 | 113.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 532 | G | 29.6 | Very low | 35.4 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 121.8 | 131.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 533 | S | 32.4 | Very low | 36.1 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -98.2 | 140.4 | -174.3 | -42.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 534 | R | 34.1 | Very low | 36.6 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | 179.4 | 167.2 | 124.7 | -96.4 | 157.8 | -170.9 | -79.8 | 0.1 | 113.7 | |||||
| 535 | S | 31.6 | Very low | 37.3 | Very low | 75 Ų | 75 | 138.8 Ų | 138.8 | 52% | 0.524 | 79% | 0.79 | S | S | . | * | trans | -64.8 | 169 | 178.2 | 48.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 536 | Y | 37.3 | Very low | 38.4 | Very low | 210 Ų | 210 | 136 Ų | 136 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | cis | -154.3 | 167.1 | 45.4 | -76.4 | -89.1 | 0 | 0 | 0 | 115 | ||||
| 537 | L | 46.3 | Very low | 38.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 157.5 | 162.6 | -76.2 | 81.5 | 0 | 0 | 0 | 111 | ||
| 538 | P | 39.6 | Very low | 40.1 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.3 | 170.5 | 30.1 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 539 | D | 41.2 | Very low | 41.6 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 171.5 | -178.7 | 168.8 | 45.6 | 0 | 0 | 0 | 111.8 | ||
| 540 | R | 41.7 | Very low | 42.9 | Very low | 220 Ų | 220 | 135.4 Ų | 135.4 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | 90.4 | 118.8 | -175.7 | -52 | 146.4 | -166.2 | -123.7 | 0.6 | 112.2 | ||||
| 541 | L | 41.8 | Very low | 44 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | cis | -122.4 | 95.8 | 11.8 | -70.9 | 167.7 | 0 | 0 | 0 | 112.5 | I543 | L541-I543 PolarHBondContact O-N 3.24Š| ||
| 542 | Q | 43.6 | Very low | 45.7 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -89.5 | 94.4 | 166.1 | -171.6 | 175.8 | 25.3 | 0 | 0 | 109.6 | V544 | Q542-V544 VanDerWaalsContact C-N 3.29Å; Q542-V544 PolarHBondContact O-N 2.83Å | ||
| 543 | I | 49 | Very low | 47.4 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -84.2 | 76.2 | 176.2 | -52.3 | -176.4 | 0 | 0 | 0 | 110.1 | L541 | L541-I543 PolarHBondContact O-N 3.24Š| ||
| 544 | V | 42.6 | Very low | 48.8 | Very low | 117 Ų | 117 | 136 Ų | 136 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | trans | -123.1 | 99.7 | 153.1 | 179.5 | 0 | 0 | 0 | 0 | 106.7 | Q542 | Q542-V544 VanDerWaalsContact C-N 3.29Å; Q542-V544 PolarHBondContact O-N 2.83Å | ||
| 545 | K | 50.4 | Low | 50.2 | Low | 162 Ų | 162 | 129.8 Ų | 129.8 | 70% | 0.704 | 68% | 0.684 | S | S | * | * | trans | -88.6 | 123.6 | 163.8 | -78.6 | -168.2 | 174 | -175.6 | 0 | 108.6 | L547 | K545-L547 HydrophobicContact CB-CD2 4.26Å; K545-L547 HydrophobicContact CB-CG 3.91Å; K545-L547 HydrophobicContact CD-CD2 4.01Å; K545-L547 HydrophobicContact CD-CG 4.34Å; K545-L547 PolarHBondContact O-N 3.27Å | ||
| 546 | P | 52.4 | Low | 51.5 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | trans | -64.6 | 115.7 | 153 | 28.8 | -30.2 | 0 | 0 | 0 | 107.3 | ||||
| 547 | L | 43.1 | Very low | 53.1 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 60% | 0.602 | 68% | 0.676 | S | S | * | * | trans | -111.9 | 72.9 | 174.6 | -74.7 | -177.8 | 0 | 0 | 0 | 110.6 | K545 G549 | K545-L547 HydrophobicContact CB-CD2 4.26Å; K545-L547 HydrophobicContact CB-CG 3.91Å; K545-L547 HydrophobicContact CD-CD2 4.01Å; K545-L547 HydrophobicContact CD-CG 4.34Å; K545-L547 PolarHBondContact O-N 3.27Å; L547-G549 PolarHBondContact O-N 2.87Å | ||
| 548 | E | 57.3 | Low | 53.8 | Low | 193 Ų | 193 | 127.8 Ų | 127.8 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.4 | 129.6 | 149.2 | -175.1 | 174.1 | -156.3 | 0 | 0 | 109.4 | ||
| 549 | G | 58.8 | Low | 54.9 | Low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.5 | 20.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | L547 V551 | L547-G549 PolarHBondContact O-N 2.87Å; G549-V551 PolarHBondContact O-N 3.4Å; G549-V551 VanDerWaalsContact O-N 3.12Å |
| 550 | S | 57.8 | Low | 55.5 | Low | 43 Ų | 43 | 125.2 Ų | 125.2 | 30% | 0.301 | 65% | 0.652 | S | S | . | * | trans | -70.9 | 109.8 | 169.6 | 85 | 0 | 0 | 0 | 0 | 111.3 | T552 L553 H554 | S550-T552 PolarHBondContact O-N 3.2Å; S550-L553 PolarHBondContact O-N 3.18Å; S550-L553 VanDerWaalsContact O-N 3.07Å; S550-L553 WeakPolarHBondContact OG-CB 3.43Å; S550-H554 PolarHBondContact O-N 2.91Å; S550-H554 VanDerWaalsContact O-N 3.11Å | ||
| 551 | V | 63.2 | Low | 56.1 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -55.2 | -35.8 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | G549 H554 H555 | G549-V551 PolarHBondContact O-N 3.4Å; G549-V551 VanDerWaalsContact O-N 3.12Å; V551-H554 PolarHBondContact O-N 3.18Å; V551-H555 WeakPolarHBondContact O-CB 3.46Å; V551-H555 PolarHBondContact O-N 2.78Å |
| 552 | T | 65.8 | Low | 56.3 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 58% | 0.577 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.9 | -48.9 | 175.8 | -43.5 | 0 | 0 | 0 | 0 | 112.1 | S550 H554 H555 W556 | S550-T552 PolarHBondContact O-N 3.2Å; T552-H554 VanDerWaalsContact C-N 3.35Å; T552-H555 WeakPolarHBondContact O-CB 3.28Å; T552-H555 PolarHBondContact O-N 3.34Å; T552-W556 PolarHBondContact O-N 2.86Å |
| 553 | L | 65.1 | Low | 56.5 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.5 | -39 | 178.2 | -170.7 | 152 | 0 | 0 | 0 | 110.9 | S550 H555 W556 Q557 | S550-L553 PolarHBondContact O-N 3.18Å; S550-L553 VanDerWaalsContact O-N 3.07Å; S550-L553 WeakPolarHBondContact OG-CB 3.43Å; L553-H555 VanDerWaalsContact C-N 3.31Å; L553-H555 PolarHBondContact O-N 2.9Å; L553-W556 PolarHBondContact O-N 3.09Å; L553-Q557 VanDerWaalsContact O-CB 3.24Å; L553-Q557 WeakPolarHBondContact O-CB 3.3Å; L553-Q557 PolarHBondContact O-N 2.93Å |
| 554 | H | 63.1 | Low | 56.6 | Low | 104 Ų | 104 | 117.8 Ų | 117.8 | 48% | 0.481 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.6 | -36.8 | 174.7 | -168.4 | 55.7 | 0 | 0 | 0 | 112.3 | S550 V551 T552 Q557 Q558 | S550-H554 PolarHBondContact O-N 2.91Å; S550-H554 VanDerWaalsContact O-N 3.11Å; V551-H554 PolarHBondContact O-N 3.18Å; T552-H554 VanDerWaalsContact C-N 3.35Å; H554-Q557 PolarHBondContact O-N 3.1Å; H554-Q558 PolarHBondContact CD2-NE2 3.17Å; H554-Q558 VanDerWaalsContact CD2-NE2 3.32Å; H554-Q558 PolarHBondContact NE2-NE2 3.46Å; H554-Q558 WeakPolarHBondContact O-CG 3.12Å; H554-Q558 PolarHBondContact O-N 2.84Å |
| 555 | H | 62.2 | Low | 57.1 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 47% | 0.468 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66 | -47.7 | 174.5 | -176.7 | 57.8 | 0 | 0 | 0 | 111.9 | V551 T552 L553 Q557 Q558 L559 | V551-H555 WeakPolarHBondContact O-CB 3.46Å; V551-H555 PolarHBondContact O-N 2.78Å; T552-H555 WeakPolarHBondContact O-CB 3.28Å; T552-H555 PolarHBondContact O-N 3.34Å; L553-H555 VanDerWaalsContact C-N 3.31Å; L553-H555 PolarHBondContact O-N 2.9Å; H555-Q557 VanDerWaalsContact C-N 3.29Å; H555-Q557 PolarHBondContact O-N 2.8Å; H555-Q558 PolarHBondContact O-N 2.99Å; H555-L559 WeakPolarHBondContact O-CG 3.36Å; H555-L559 PolarHBondContact O-N 3.26Å |
| 556 | W | 58.5 | Low | 56.8 | Low | 177 Ų | 177 | 110.4 Ų | 110.4 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61 | -36.9 | 172.6 | -73.4 | 109.7 | 0 | 0 | 0 | 112.2 | T552 L553 L559 A560 | T552-W556 PolarHBondContact O-N 2.86Å; L553-W556 PolarHBondContact O-N 3.09Å; W556-L559 HydrophobicContact CE3-CD1 4.48Å; W556-L559 PolarHBondContact O-N 3.16Å; W556-A560 WeakPolarHBondContact O-CB 3.49Å; W556-A560 PolarHBondContact O-N 2.76Å |
| 557 | Q | 70.9 | Confident | 56.9 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.2 | -29.9 | 176.5 | -166.4 | -178.4 | 28.6 | 0 | 0 | 112.9 | L553 H554 H555 K561 | L553-Q557 VanDerWaalsContact O-CB 3.24Å; L553-Q557 WeakPolarHBondContact O-CB 3.3Å; L553-Q557 PolarHBondContact O-N 2.93Å; H554-Q557 PolarHBondContact O-N 3.1Å; H555-Q557 VanDerWaalsContact C-N 3.29Å; H555-Q557 PolarHBondContact O-N 2.8Å; Q557-K561 PolarHBondContact O-N 2.85Å |
| 558 | Q | 62.2 | Low | 57 | Low | 115 Ų | 115 | 112.2 Ų | 112.2 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.4 | -41.4 | 169.2 | -75.3 | -179.1 | 13 | 0 | 0 | 111.5 | H554 H555 A560 K561 | H554-Q558 PolarHBondContact CD2-NE2 3.17Å; H554-Q558 VanDerWaalsContact CD2-NE2 3.32Å; H554-Q558 PolarHBondContact NE2-NE2 3.46Å; H554-Q558 WeakPolarHBondContact O-CG 3.12Å; H554-Q558 PolarHBondContact O-N 2.84Å; H555-Q558 PolarHBondContact O-N 2.99Å; Q558-A560 VanDerWaalsContact C-N 3.33Å; Q558-K561 PolarHBondContact O-N 3Å |
| 559 | L | 63.2 | Low | 56.5 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 59% | 0.586 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.4 | -30 | 176.2 | -68.4 | 170.7 | 0 | 0 | 0 | 113 | H555 W556 | H555-L559 WeakPolarHBondContact O-CG 3.36Å; H555-L559 PolarHBondContact O-N 3.26Å; W556-L559 HydrophobicContact CE3-CD1 4.48Å; W556-L559 PolarHBondContact O-N 3.16Å |
| 560 | A | 52.8 | Low | 55.7 | Low | 80 Ų | 80 | 113.3 Ų | 113.3 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -1.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | W556 Q558 P562 | W556-A560 WeakPolarHBondContact O-CB 3.49Å; W556-A560 PolarHBondContact O-N 2.76Å; Q558-A560 VanDerWaalsContact C-N 3.33Å; A560-P562 WeakPolarHBondContact O-CD 3.4Å |
| 561 | K | 53.6 | Low | 55.3 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -84.2 | 117.4 | 169.9 | -81.8 | -173.8 | 175.3 | -165.4 | 0 | 109.5 | Q557 Q558 N563 | Q557-K561 PolarHBondContact O-N 2.85Å; Q558-K561 PolarHBondContact O-N 3Å; K561-N563 PolarHBondContact O-N 2.77Å |
| 562 | P | 46.3 | Very low | 54.3 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | trans | -69.9 | 94.4 | -178.9 | 28.3 | -34.5 | 0 | 0 | 0 | 111.2 | A560 L564 | A560-P562 WeakPolarHBondContact O-CD 3.4Å; P562-L564 PolarHBondContact O-N 3.12Å | ||
| 563 | N | 48.4 | Very low | 53.7 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | trans | -86.3 | 82.8 | 177.6 | 54.7 | -6.3 | 0 | 0 | 0 | 111 | K561 G565 G566 | K561-N563 PolarHBondContact O-N 2.77Å; N563-G565 PolarHBondContact O-N 3.37Å; N563-G566 PolarHBondContact O-N 3.44Å | ||
| 564 | L | 51.3 | Low | 52.7 | Low | 135 Ų | 135 | 122.7 Ų | 122.7 | 71% | 0.707 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -49.8 | -19.6 | -179.2 | -66.2 | 171.1 | 0 | 0 | 0 | 115.3 | P562 G566 I567 | P562-L564 PolarHBondContact O-N 3.12Å; L564-G566 PolarHBondContact O-N 2.9Å; L564-G566 VanDerWaalsContact O-N 3.07Å; L564-I567 PolarHBondContact O-N 2.99Å; L564-I567 VanDerWaalsContact O-N 3.13Å |
| 565 | G | 53.1 | Low | 52.1 | Low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -58.4 | -13.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N563 I567 | N563-G565 PolarHBondContact O-N 3.37Å; G565-I567 VanDerWaalsContact C-N 3.25Å; G565-I567 PolarHBondContact O-N 2.93Å |
| 566 | G | 44.7 | Very low | 51.5 | Low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -68.2 | -17.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N563 L564 | N563-G566 PolarHBondContact O-N 3.44Å; L564-G566 PolarHBondContact O-N 2.9Å; L564-G566 VanDerWaalsContact O-N 3.07Å |
| 567 | I | 52.6 | Low | 50.9 | Low | 132 Ų | 132 | 126 Ų | 126 | 68% | 0.677 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -82.8 | -21.7 | -178.1 | -73.4 | 169.2 | 0 | 0 | 0 | 112.7 | L564 G565 | L564-I567 PolarHBondContact O-N 2.99Å; L564-I567 VanDerWaalsContact O-N 3.13Å; G565-I567 VanDerWaalsContact C-N 3.25Å; G565-I567 PolarHBondContact O-N 2.93Å |
| 568 | L | 45.6 | Very low | 49.7 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115 | 5.2 | -168.1 | -62.8 | 178.2 | 0 | 0 | 0 | 115.2 | ||
| 569 | H | 47.2 | Very low | 48.6 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 73% | 0.731 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -140.5 | 113 | 176.8 | -96.1 | 41.2 | 0 | 0 | 0 | 111.4 | ||
| 570 | P | 42.2 | Very low | 47.8 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.9 | -179.3 | 28.1 | -34 | 0 | 0 | 0 | 111.9 | ||
| 571 | R | 49.4 | Very low | 47.1 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -101 | 130.6 | 169.1 | -82.1 | -171.3 | 169.3 | -161.8 | -1.8 | 110.5 | G573 | R571-G573 PolarHBondContact O-N 2.9Š|
| 572 | P | 41.4 | Very low | 46.4 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 130 | 175.5 | -24.9 | 34.3 | 0 | 0 | 0 | 112.3 | ||
| 573 | G | 53.7 | Low | 46.2 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 88% | 0.876 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.8 | 1.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | R571 | R571-G573 PolarHBondContact O-N 2.9Š|
| 574 | V | 45 | Very low | 45.7 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -119.9 | 107.7 | 171.6 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 575 | L | 49.6 | Very low | 45.1 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -96.3 | 115.8 | 171.9 | -68.7 | 173.4 | 0 | 0 | 0 | 109.2 | ||||
| 576 | T | 49.1 | Very low | 44.4 | Very low | 98 Ų | 98 | 144 Ų | 144 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 133.3 | 160.8 | 36.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 577 | K | 47.1 | Very low | 44.4 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 143.9 | 174.5 | -158.3 | -170.6 | 166.5 | -170.1 | 0 | 109.1 | F579 | K577-F579 PolarHBondContact O-N 3.49Š|
| 578 | D | 44.6 | Very low | 43.6 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | 15 | 172.1 | -44.1 | -44.5 | 0 | 0 | 0 | 117.2 | K580 | D578-K580 PolarHBondContact O-N 3.02Š|
| 579 | F | 40.1 | Very low | 43.4 | Very low | 167 Ų | 167 | 148 Ų | 148 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -77 | 110.7 | 171.1 | -136.8 | -91.3 | 0 | 0 | 0 | 112 | K577 | K577-F579 PolarHBondContact O-N 3.49Š| ||
| 580 | K | 46.2 | Very low | 42.9 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -104.7 | 128.6 | 158.3 | -95 | -169.8 | 175 | -176 | 0 | 108.7 | D578 | D578-K580 PolarHBondContact O-N 3.02Š| ||
| 581 | E | 37.8 | Very low | 42.9 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -73.5 | 130 | 173.6 | -168.5 | 159.8 | -151 | 0 | 0 | 109.7 | ||||
| 582 | L | 39.9 | Very low | 42.6 | Very low | 139 Ų | 139 | 146 Ų | 146 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | -108.9 | 114.8 | 173 | -116.7 | 74.9 | 0 | 0 | 0 | 107.9 | V584 | L582-V584 HydrophobicContact CB-CG2 4.47Å; L582-V584 HydrophobicContact CD2-CG2 4.35Å; L582-V584 PolarHBondContact O-N 3.41Å; L582-V584 VanDerWaalsContact O-N 3.13Å | ||
| 583 | E | 41.8 | Very low | 42.6 | Very low | 192 Ų | 192 | 146 Ų | 146 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -75.5 | 97.4 | 170.1 | -70.1 | -171.1 | 127.8 | 0 | 0 | 109.7 | ||||
| 584 | V | 38 | Very low | 42.6 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | trans | -146.7 | 121.5 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 106.5 | L582 | L582-V584 HydrophobicContact CB-CG2 4.47Å; L582-V584 HydrophobicContact CD2-CG2 4.35Å; L582-V584 PolarHBondContact O-N 3.41Å; L582-V584 VanDerWaalsContact O-N 3.13Å | ||
| 585 | D | 37.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -150.2 | 156.6 | 3.2 | -131.8 | -26.8 | 0 | 0 | 0 | 110.1 | ||||
| 586 | V | 38.8 | Very low | 42.6 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -115.2 | 81.4 | 159.4 | -174 | 0 | 0 | 0 | 0 | 109.8 | ||
| 587 | Q | 44.9 | Very low | 42.2 | Very low | 143 Ų | 143 | 155.1 Ų | 155.1 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | trans | 62.4 | 75.9 | 142.5 | -167.7 | 71.9 | 63.3 | 0 | 0 | 116.6 | ||||
| 588 | H | 35.6 | Very low | 42.1 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -133.8 | 127.3 | 144.8 | -83.2 | 93.8 | 0 | 0 | 0 | 111.4 | Y590 | H588-Y590 HydrophobicContact CB-CE2 4.05Š| ||
| 589 | V | 41.6 | Very low | 42 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -100.1 | 113.5 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 590 | Y | 37.8 | Very low | 41.8 | Very low | 185 Ų | 185 | 153 Ų | 153 | 73% | 0.725 | 78% | 0.781 | S | S | * | * | trans | -92.8 | 139 | 169.6 | -70.7 | -82.7 | 0 | 0 | 0 | 110.3 | H588 D594 | H588-Y590 HydrophobicContact CB-CE2 4.05Å; Y590-D594 WeakPolarHBondContact CD1-OD2 3.18Å | ||
| 591 | S | 42 | Very low | 41.1 | Very low | 97 Ų | 97 | 151.3 Ų | 151.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -107.2 | 162.8 | -179.6 | -169.4 | 0 | 0 | 0 | 0 | 110 | N593 | S591-N593 PolarHBondContact O-N 2.98Š| ||
| 592 | L | 41.4 | Very low | 41.3 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 49.3 | -177.8 | -71 | 167.3 | 0 | 0 | 0 | 113.1 | ||
| 593 | N | 43.3 | Very low | 40.9 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.8 | 2.4 | -175.4 | -135.7 | 119.3 | 0 | 0 | 0 | 114.4 | S591 | S591-N593 PolarHBondContact O-N 2.98Š|
| 594 | D | 52 | Low | 40.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | trans | -67.8 | 142.7 | 162 | -79.9 | -36.4 | 0 | 0 | 0 | 109.9 | Y590 | Y590-D594 WeakPolarHBondContact CD1-OD2 3.18Š| ||
| 595 | L | 45.6 | Very low | 39.8 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -108.9 | 147.8 | 177.2 | -74.1 | 168.3 | 0 | 0 | 0 | 110 | ||||
| 596 | E | 49.2 | Very low | 39.4 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 121.7 | 171.9 | -179.3 | 175.2 | -144.8 | 0 | 0 | 110.3 | ||||
| 597 | E | 41.9 | Very low | 39 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 150.9 | 165.8 | -95.7 | -171.7 | 153.8 | 0 | 0 | 109.6 | ||||
| 598 | D | 44.3 | Very low | 38.2 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -85.2 | 173.4 | -161.3 | -59.2 | -74.7 | 0 | 0 | 0 | 116.3 | ||||
| 599 | E | 42.4 | Very low | 38 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 68 | 118.3 | 162.9 | -62.5 | -63.9 | 88.6 | 0 | 0 | 119.9 | ||||
| 600 | P | 37.1 | Very low | 37.3 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 103 | 170.4 | 34.9 | -30.1 | 0 | 0 | 0 | 113.1 | ||||
| 601 | D | 31.4 | Very low | 36.8 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -92 | 120.1 | 169.4 | -168.7 | 32.1 | 0 | 0 | 0 | 111.4 | S603 | D601-S603 PolarHBondContact O-N 2.85Š| ||
| 602 | P | 40.2 | Very low | 36.2 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | trans | -95.3 | 102.3 | -163.6 | 34.5 | -34.8 | 0 | 0 | 0 | 114.6 | ||||
| 603 | S | 31.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -170.1 | 96.1 | 151.3 | 45 | 0 | 0 | 0 | 0 | 115.9 | D601 | D601-S603 PolarHBondContact O-N 2.85Š| ||
| 604 | Q | 30.6 | Very low | 35 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -139.2 | 116.1 | 154.6 | -80.2 | -152.1 | 33.2 | 0 | 0 | 114.1 | ||||
| 605 | F | 26.4 | Very low | 34 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 58.4 | 109.7 | 157.2 | -62.2 | -69.8 | 0 | 0 | 0 | 121.6 | ||||
| 606 | S | 29.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 146 Ų | 146 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -101.9 | 130.5 | 154.2 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 607 | A | 29.8 | Very low | 32.3 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -160.5 | 139.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 608 | A | 29.2 | Very low | 32 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 60% | 0.603 | 79% | 0.789 | S | S | * | * | cis | -147.9 | 161.7 | 9.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 609 | H | 30.6 | Very low | 31.4 | Very low | 199 Ų | 199 | 140 Ų | 140 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | 67.1 | 132.1 | 171.1 | -53.2 | -71 | 0 | 0 | 0 | 117.4 | ||||
| 610 | G | 27.2 | Very low | 30.9 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | 174.5 | 161 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 611 | F | 27.4 | Very low | 30.5 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 100% | 1.009 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 131.2 | -173.3 | -62.8 | -90.7 | 0 | 0 | 0 | 115.7 | ||||
| 612 | G | 28 | Very low | 30.6 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -178.6 | -43.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 613 | K | 30.3 | Very low | 30.2 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 55.6 | 108.4 | 176.6 | -75.2 | -172 | 175.1 | -175.2 | 0 | 119.4 | ||||
| 614 | T | 30.2 | Very low | 30.1 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 61% | 0.613 | 77% | 0.768 | S | S | * | * | 56.9 | 144.9 | 128.2 | 61.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 615 | Y | 30.3 | Very low | 30.2 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | -145.6 | 176.9 | 26.1 | -83.1 | -73.8 | 0 | 0 | 0 | 113.9 | ||||
| 616 | D | 30.4 | Very low | 30.4 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -81.1 | 163.9 | -168.3 | -34.7 | -97.7 | 0 | 0 | 0 | 117 | ||||
| 617 | Y | 29.8 | Very low | 30.5 | Very low | 216 Ų | 216 | 132.7 Ų | 132.7 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | -168.5 | 103.7 | 112.3 | -125.1 | -97.7 | 0 | 0 | 0 | 118.4 | |||||
| 618 | V | 35.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | trans | 31.7 | 127.7 | 136.8 | -161.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 619 | G | 31.6 | Very low | 30.6 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 125.6 | 153 | 131.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 620 | F | 30.9 | Very low | 30.6 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | cis | -168.6 | 169.2 | -14.9 | -168.5 | -104 | 0 | 0 | 0 | 111.6 | I622 | F620-I622 HydrophobicContact CE1-CD1 4.13Å; F620-I622 HydrophobicContact CE2-CD1 4.4Å; F620-I622 HydrophobicContact CZ-CD1 3.79Å | ||
| 621 | N | 29.9 | Very low | 30.7 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 84.9 | 136.4 | -179.4 | -51 | -69.1 | 0 | 0 | 0 | 116.2 | ||||
| 622 | I | 32.9 | Very low | 30.9 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 67% | 0.672 | 74% | 0.738 | S | S | * | * | cis | 83.3 | 125.1 | 12.3 | -50.7 | 174.1 | 0 | 0 | 0 | 115 | F620 | F620-I622 HydrophobicContact CE1-CD1 4.13Å; F620-I622 HydrophobicContact CE2-CD1 4.4Å; F620-I622 HydrophobicContact CZ-CD1 3.79Å | ||
| 623 | C | 31.1 | Very low | 31 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | -167.8 | -162.4 | -17.6 | -97.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 624 | V | 30.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | cis | -164.6 | 154.1 | 12.1 | -132.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 625 | S | 33.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 69.2 | 156.1 | 150.2 | -55.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 626 | S | 29.6 | Very low | 32.4 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -161.1 | 138.2 | 3.6 | -136.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 627 | L | 31.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 49.3 | 134 | 139 | -96.6 | 60.4 | 0 | 0 | 0 | 126.8 | ||||
| 628 | N | 31.4 | Very low | 32.6 | Very low | 119 Ų | 119 | 122 Ų | 122 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 73.7 | 157.3 | 140 | -77 | -35.6 | 0 | 0 | 0 | 121 | ||||
| 629 | R | 31.5 | Very low | 33.5 | Very low | 200 Ų | 200 | 121.2 Ų | 121.2 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | cis | -176.7 | 127.1 | -18 | 166.5 | 172.7 | -70.6 | -111 | 0.8 | 114.7 | ||||
| 630 | T | 30.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | 37.2 | 115.9 | 153 | 65.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 631 | A | 29.8 | Very low | 33.3 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | 45.5 | 141 | 117.4 | 0 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 632 | S | 30 | Very low | 33.3 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | 151.3 | 130.1 | 115 | -66.7 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 633 | S | 30.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 59.8 | 162.5 | 146.1 | 128.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 634 | S | 33.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -173.7 | 163.8 | -23.4 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 635 | G | 30.1 | Very low | 34.4 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 168.4 | 152.4 | 168 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 636 | P | 57.8 | Low | 35 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -141.6 | -177.7 | -151.5 | 36.7 | -13.7 | 0 | 0 | 0 | 120.2 | ||||
| 637 | T | 30.9 | Very low | 34.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | 106.2 | 167.2 | 155.9 | 68.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 638 | L | 32.6 | Very low | 34.7 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -121.3 | -169.5 | -150.6 | -107 | 73.6 | 0 | 0 | 0 | 112.9 | ||||
| 639 | P | 55.4 | Low | 34.5 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -139.9 | -178.1 | -42.2 | 38.2 | -19.3 | 0 | 0 | 0 | 115.5 | ||||
| 640 | Q | 29.3 | Very low | 34.3 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 155.7 | 135.8 | 130 | -84.4 | -160.5 | -11.6 | 0 | 0 | 119.9 | ||||
| 641 | T | 27.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | trans | 51.6 | 106.1 | 142 | 63.1 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 642 | F | 30 | Very low | 34.2 | Very low | 204 Ų | 204 | 135 Ų | 135 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | 61.8 | 159.6 | 112.4 | -68.5 | -48.6 | 0 | 0 | 0 | 126 | |||||
| 643 | P | 60.7 | Low | 34.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -135.6 | -174.4 | -144.5 | 45.8 | -28.2 | 0 | 0 | 0 | 118.3 | ||||
| 644 | T | 26.5 | Very low | 33.9 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -154.4 | 154.5 | 164.4 | -42.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 645 | H | 30.8 | Very low | 34.7 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -95.1 | -158.6 | 174 | -58.9 | -84.9 | 0 | 0 | 0 | 111.2 | ||||
| 646 | P | 45.9 | Very low | 35 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -150.1 | -170.3 | -1.3 | 47.7 | -27.3 | 0 | 0 | 0 | 119.5 | ||||
| 647 | K | 27.5 | Very low | 33.8 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 84 | 105.1 | 145.7 | -80.4 | 172.7 | -178.5 | 177.1 | 0 | 124.4 | ||||
| 648 | T | 27.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 59.3 | 128.8 | 115.4 | -33.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 649 | T | 26 | Very low | 34.3 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 159.2 | 144.3 | 114.6 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 650 | C | 28.1 | Very low | 32.9 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -113.3 | 152 | 178.2 | -41.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 651 | K | 30.6 | Very low | 32.7 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 174.8 | 126.1 | 145 | -95.6 | 153.2 | -174.1 | -179.1 | 0 | 109.7 | ||||
| 652 | V | 27.7 | Very low | 32.7 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | 81.1 | 104 | 67.7 | 170.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 653 | L | 26.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -178.6 | 172 | 130.8 | -98.9 | 168.7 | 0 | 0 | 0 | 111.5 | ||||
| 654 | S | 27.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -117.6 | -160 | -157.9 | -35.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 655 | P | 50 | Low | 30.7 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -99.7 | -175.2 | -139.1 | 47.2 | -40.4 | 0 | 0 | 0 | 114.8 | ||||
| 656 | P | 35.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -146.9 | 178.9 | 86.1 | 40.3 | -22.6 | 0 | 0 | 0 | 116.2 | |||||
| 657 | S | 32.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -92.7 | -166.8 | 166.5 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 658 | P | 45.7 | Very low | 29.5 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | cis | -139 | -150.5 | 2 | 31.3 | -4.2 | 0 | 0 | 0 | 114.2 | ||||
| 659 | I | 29.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 107.3 | 99.1 | 155.9 | -65.3 | 162.4 | 0 | 0 | 0 | 118.6 | ||||
| 660 | D | 24.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 73.1 | 139.9 | 127.8 | -65.3 | -1 | 0 | 0 | 0 | 127.7 | |||||
| 661 | V | 25.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 93.9 | 119.2 | 135.2 | 155.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 662 | L | 27.6 | Very low | 30.4 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -0.5 | 133.3 | 150.9 | -61.6 | 148 | 0 | 0 | 0 | 119.5 | ||||
| 663 | V | 26.1 | Very low | 31.4 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | -143.9 | 125.3 | 115.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 664 | C | 23.3 | Very low | 31.5 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -107.3 | 129.7 | 152.1 | -66.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 665 | S | 25.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -97.5 | 168.4 | -178.8 | -160.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 666 | L | 27.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -123.4 | 129.5 | -154.2 | -78 | 163.1 | 0 | 0 | 0 | 114.9 | ||||
| 667 | R | 27.4 | Very low | 30.2 | Very low | 214 Ų | 214 | 134 Ų | 134 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 67.7 | 172.6 | 148.3 | -55.3 | 171.6 | 178.3 | 174.5 | -0.7 | 114.6 | ||||
| 668 | S | 24.7 | Very low | 30.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | cis | -147.3 | 159.4 | 17.3 | -53.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 669 | F | 25.4 | Very low | 29.4 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -41.9 | 160.4 | 169.7 | -69.2 | -101.1 | 0 | 0 | 0 | 119.3 | ||||
| 670 | S | 24 | Very low | 29.4 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -158.8 | 134.7 | 141.5 | -78.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 671 | L | 29.2 | Very low | 29.7 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -169.5 | 172.7 | 177.9 | -84.8 | -177.2 | 0 | 0 | 0 | 108.1 | ||||
| 672 | P | 54.2 | Low | 29.7 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -117.6 | -146.9 | -38.8 | 35.1 | -14.2 | 0 | 0 | 0 | 108.9 | ||||
| 673 | P | 47.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | -156.4 | 162.1 | 62.6 | 42.3 | -20.9 | 0 | 0 | 0 | 119.8 | |||||
| 674 | H | 27.9 | Very low | 29.8 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | trans | 59.5 | 154.8 | 148.3 | -90.7 | -58.2 | 0 | 0 | 0 | 120.6 | D676 | H674-D676 IonicContact CE1-OD1 3.31Å; H674-D676 PolarHBondContact CE1-OD1 3.29Å; H674-D676 IonicContact CE1-OD2 2.64Å; H674-D676 IonicContact ND1-OD1 3.63Å; H674-D676 PolarHBondContact ND1-OD1 3.47Å; H674-D676 IonicContact ND1-OD2 3.64Å; H674-D676 PolarHBondContact ND1-OD2 3.03Å | ||
| 675 | R | 29.6 | Very low | 30 | Very low | 214 Ų | 214 | 133.5 Ų | 133.5 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -140.5 | 178.8 | 5.6 | -66.2 | -162.3 | 74.7 | -154.9 | -9.8 | 110.5 | ||||
| 676 | D | 26.7 | Very low | 30.2 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 51% | 0.513 | 76% | 0.759 | S | S | . | * | cis | -171.7 | 147.1 | -42.5 | -82.2 | -11.3 | 0 | 0 | 0 | 108.1 | H674 | H674-D676 IonicContact CE1-OD1 3.31Å; H674-D676 PolarHBondContact CE1-OD1 3.29Å; H674-D676 IonicContact CE1-OD2 2.64Å; H674-D676 IonicContact ND1-OD1 3.63Å; H674-D676 PolarHBondContact ND1-OD1 3.47Å; H674-D676 IonicContact ND1-OD2 3.64Å; H674-D676 PolarHBondContact ND1-OD2 3.03Å | ||
| 677 | G | 30.3 | Very low | 30.2 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 95 | 148.6 | 162 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 678 | E | 30.1 | Very low | 30.3 | Very low | 168 Ų | 168 | 129 Ų | 129 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | cis | -151.7 | 149 | 0.2 | -79.1 | -166.2 | 152.4 | 0 | 0 | 112.6 | ||||
| 679 | H | 30.6 | Very low | 30.4 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 40.6 | 147.4 | 149 | -54.5 | -54.3 | 0 | 0 | 0 | 122.6 | ||||
| 680 | V | 30.3 | Very low | 30.4 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | cis | -141.9 | 158 | 20.2 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 681 | S | 30.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -67.7 | -176 | 172.2 | -44.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 682 | A | 26.2 | Very low | 30.2 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | cis | -155.6 | 147.2 | 19.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 683 | S | 27.8 | Very low | 28.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 61.7 | 136 | 99.5 | -44.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 684 | S | 27.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | cis | -151.3 | 150.2 | 32 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 685 | S | 27.2 | Very low | 27.7 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 55.4 | 138.8 | 90.2 | -138.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 686 | S | 29.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -167.9 | 171.7 | 20.4 | 83.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 687 | V | 27.9 | Very low | 27.7 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | cis | -165.7 | 165.6 | -6.3 | 104.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 688 | L | 28.4 | Very low | 27.5 | Very low | 141 Ų | 141 | 136 Ų | 136 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 0.5 | 140.2 | 164 | -60.2 | 164.5 | 0 | 0 | 0 | 122.7 | ||||
| 689 | Q | 27.6 | Very low | 27.4 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | -163 | 150.2 | 99.7 | -104.2 | -178.7 | 20.6 | 0 | 0 | 114.2 | |||||
| 690 | H | 24.8 | Very low | 27.5 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -108.9 | 150 | 173.1 | -94.7 | -83.9 | 0 | 0 | 0 | 110.2 | ||||
| 691 | F | 22.9 | Very low | 27.5 | Very low | 203 Ų | 203 | 126.2 Ų | 126.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -155.8 | -174.1 | 137 | -113.1 | -71.2 | 0 | 0 | 0 | 111.3 | ||||
| 692 | H | 26.4 | Very low | 27.7 | Very low | 152 Ų | 152 | 126 Ų | 126 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | trans | -112.3 | 157.4 | -148.3 | -97.9 | -117.9 | 0 | 0 | 0 | 117.2 | ||||
| 693 | Q | 27.4 | Very low | 28.3 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 99 | 138.8 | 133.9 | -105.3 | 171.5 | -32.6 | 0 | 0 | 123.6 | ||||
| 694 | S | 25.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 85.7 | 88.1 | 143.7 | -59.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 695 | S | 25.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 28.6 | 115.4 | 123.6 | 172.8 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 696 | L | 26.7 | Very low | 31 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | -162.5 | 168.6 | 100.4 | -158.3 | 57.3 | 0 | 0 | 0 | 110.2 | |||||
| 697 | A | 28.9 | Very low | 32.6 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 147.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 698 | S | 26.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -154.9 | 164.1 | 159.1 | -163.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 699 | A | 28.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -53 | 137.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 700 | A | 31.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -120 | 152.4 | 136 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 701 | G | 29.7 | Very low | 38 | Very low | 65 Ų | 65 | 117.8 Ų | 117.8 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | cis | -169.9 | 146.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 702 | A | 35 | Very low | 39.6 | Very low | 107 Ų | 107 | 112.1 Ų | 112.1 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | trans | -75.2 | 129.9 | -158.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 703 | T | 38.4 | Very low | 41.1 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -137.7 | 18.5 | 168.4 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 704 | A | 41.2 | Very low | 42.6 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -92.2 | 9.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 705 | S | 45.9 | Very low | 44.2 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -80.1 | -24.5 | -169.4 | 48.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 706 | L | 53.8 | Low | 45.1 | Very low | 135 Ų | 135 | 111.3 Ų | 111.3 | 71% | 0.707 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.3 | -41.2 | -172 | -68.3 | 172 | 0 | 0 | 0 | 113.8 | L708 L709 Q710 | L706-L708 VanDerWaalsContact C-N 3.33Å; L706-L708 PolarHBondContact O-N 3.23Å; L706-L709 WeakPolarHBondContact O-CB 3.49Å; L706-L709 PolarHBondContact O-N 3.01Å; L706-Q710 PolarHBondContact O-N 3.19Å |
| 707 | G | 62.8 | Low | 45.8 | Very low | 50 Ų | 50 | 109.3 Ų | 109.3 | 52% | 0.515 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -64.8 | -34.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q710 L711 | G707-Q710 PolarHBondContact O-N 2.67Å; G707-L711 PolarHBondContact O-N 2.95Å |
| 708 | L | 53.5 | Low | 46.2 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 62% | 0.618 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.4 | -33.8 | 179.2 | -161.6 | 149.1 | 0 | 0 | 0 | 111.7 | L706 L711 L712 | L706-L708 VanDerWaalsContact C-N 3.33Å; L706-L708 PolarHBondContact O-N 3.23Å; L708-L711 PolarHBondContact O-N 2.74Å; L708-L712 HydrophobicContact CD2-CD1 3.8Å; L708-L712 HydrophobicContact CD2-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 3.47Å; L708-L712 PolarHBondContact O-N 2.84Å |
| 709 | L | 50.9 | Low | 46.4 | Very low | 118 Ų | 118 | 108.6 Ų | 108.6 | 62% | 0.618 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.5 | -40.8 | 176.1 | -138.8 | 164.1 | 0 | 0 | 0 | 111.3 | L706 L712 Q713 | L706-L709 WeakPolarHBondContact O-CB 3.49Å; L706-L709 PolarHBondContact O-N 3.01Å; L709-L712 PolarHBondContact O-N 2.84Å; L709-Q713 PolarHBondContact O-N 3.34Å |
| 710 | Q | 57.7 | Low | 46.5 | Very low | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -66.1 | -38.7 | 176.7 | -167.7 | 126.9 | 7.3 | 0 | 0 | 112.8 | L706 G707 Q713 Q714 | L706-Q710 PolarHBondContact O-N 3.19Å; G707-Q710 PolarHBondContact O-N 2.67Å; Q710-Q713 PolarHBondContact O-N 2.8Å; Q710-Q714 PolarHBondContact O-N 3.34Å |
| 711 | L | 59.1 | Low | 46.5 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -64.6 | -43.1 | 176.2 | -98.8 | 163.6 | 0 | 0 | 0 | 112.7 | G707 L708 Q713 Q714 H715 | G707-L711 PolarHBondContact O-N 2.95Å; L708-L711 PolarHBondContact O-N 2.74Å; L711-Q713 VanDerWaalsContact C-N 3.28Å; L711-Q713 PolarHBondContact O-N 2.83Å; L711-Q714 PolarHBondContact O-N 2.94Å; L711-H715 PolarHBondContact O-CD2 3.44Å; L711-H715 PolarHBondContact O-N 2.73Å |
| 712 | L | 56.6 | Low | 46.5 | Very low | 85 Ų | 85 | 114.1 Ų | 114.1 | 45% | 0.445 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -61.4 | -36.6 | 178.3 | -73.2 | 170.4 | 0 | 0 | 0 | 112.3 | L708 L709 H715 | L708-L712 HydrophobicContact CD2-CD1 3.8Å; L708-L712 HydrophobicContact CD2-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 3.47Å; L708-L712 PolarHBondContact O-N 2.84Å; L709-L712 PolarHBondContact O-N 2.84Å; L712-H715 PolarHBondContact O-N 3.29Å |
| 713 | Q | 57.8 | Low | 46.5 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.5 | -36.3 | 177.4 | -164.9 | 172.7 | 16.5 | 0 | 0 | 112.5 | L709 Q710 L711 H715 G716 | L709-Q713 PolarHBondContact O-N 3.34Å; Q710-Q713 PolarHBondContact O-N 2.8Å; L711-Q713 VanDerWaalsContact C-N 3.28Å; L711-Q713 PolarHBondContact O-N 2.83Å; Q713-H715 VanDerWaalsContact C-N 3.29Å; Q713-H715 PolarHBondContact O-N 2.88Å; Q713-G716 PolarHBondContact O-N 2.8Å |
| 714 | Q | 60.2 | Low | 46.1 | Very low | 153 Ų | 153 | 118.2 Ų | 118.2 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.8 | -25.9 | 175.1 | -75.1 | -171.8 | -22.8 | 0 | 0 | 113.5 | Q710 L711 | Q710-Q714 PolarHBondContact O-N 3.34Å; L711-Q714 PolarHBondContact O-N 2.94Å |
| 715 | H | 59.1 | Low | 45.6 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 68% | 0.681 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 8 | 177.9 | -77.4 | -70.4 | 0 | 0 | 0 | 114.8 | L711 L712 Q713 I717 | L711-H715 PolarHBondContact O-CD2 3.44Å; L711-H715 PolarHBondContact O-N 2.73Å; L712-H715 PolarHBondContact O-N 3.29Å; Q713-H715 VanDerWaalsContact C-N 3.29Å; Q713-H715 PolarHBondContact O-N 2.88Å; H715-I717 PolarHBondContact O-N 2.65Å |
| 716 | G | 43.2 | Very low | 44.7 | Very low | 59 Ų | 59 | 122.4 Ų | 122.4 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.3 | 18.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q713 S718 | Q713-G716 PolarHBondContact O-N 2.8Å; G716-S718 PolarHBondContact O-N 2.77Å |
| 717 | I | 42.2 | Very low | 43.6 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 64% | 0.641 | 70% | 0.7 | S | S | * | * | trans | -90 | 87.3 | 176.3 | -54.8 | 179.5 | 0 | 0 | 0 | 109.3 | H715 A719 | H715-I717 PolarHBondContact O-N 2.65Å; I717-A719 PolarHBondContact O-N 2.93Å | ||
| 718 | S | 37 | Very low | 42 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -79.9 | 110 | 178 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | G716 | G716-S718 PolarHBondContact O-N 2.77Š| ||
| 719 | A | 30.8 | Very low | 40.7 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -84.3 | 110.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I717 | I717-A719 PolarHBondContact O-N 2.93Š| ||
| 720 | S | 29.3 | Very low | 39.7 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -80.2 | 124.8 | 178.9 | -161.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 721 | T | 32.7 | Very low | 38.4 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -100.4 | 77.6 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 722 | D | 28.8 | Very low | 36.9 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -129 | 98.1 | 171.2 | -88.7 | -48.8 | 0 | 0 | 0 | 110.2 | ||||
| 723 | P | 34.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -86.7 | 126 | 176.9 | 32.9 | -31.6 | 0 | 0 | 0 | 111.9 | ||||
| 724 | Y | 30.4 | Very low | 34.5 | Very low | 218 Ų | 218 | 135 Ų | 135 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | 71.5 | 95.9 | 169 | -55.1 | -73.4 | 0 | 0 | 0 | 118.6 | ||||
| 725 | S | 30.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -137.9 | 78.1 | 143.3 | -80.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 726 | N | 28.7 | Very low | 32.1 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -153.3 | 119.5 | 162.2 | -107.6 | -49.5 | 0 | 0 | 0 | 113.8 | ||||
| 727 | L | 29.7 | Very low | 31.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | 5.4 | 138.8 | 157.2 | -65.1 | 162.6 | 0 | 0 | 0 | 121.2 | ||||
| 728 | Q | 28.4 | Very low | 31.4 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 148.7 | 173.9 | -59.2 | 159.1 | -34.6 | 0 | 0 | 113.1 | ||||
| 729 | Y | 27.8 | Very low | 31.2 | Very low | 241 Ų | 241 | 137.7 Ų | 137.7 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -139.1 | 133.6 | 141.1 | -106.8 | -85 | 0 | 0 | 0 | 109.3 | ||||
| 730 | A | 28.2 | Very low | 31 | Very low | 84 Ų | 84 | 145 Ų | 145 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | trans | -116.2 | 148.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 731 | P | 31.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 144.7 | 179.1 | 31.4 | -34.7 | 0 | 0 | 0 | 112.7 | ||||
| 732 | T | 27.6 | Very low | 30.6 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -81.7 | 145.2 | -173.8 | -43.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 733 | A | 30 | Very low | 30.5 | Very low | 84 Ų | 84 | 145 Ų | 145 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | -129 | 153.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 734 | P | 34.1 | Very low | 30.2 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -79.3 | 166.6 | -174.1 | 31.5 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 735 | P | 40.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | -116.2 | 158.2 | -150.5 | 40.9 | -34 | 0 | 0 | 0 | 117.6 | ||||
| 736 | Q | 28.2 | Very low | 30.2 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | 166.4 | 169.3 | 144.2 | -98.3 | -173.7 | 47 | 0 | 0 | 110.4 | ||||
| 737 | P | 34.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 68% | 0.682 | 83% | 0.827 | S | S | * | * | cis | -125.9 | 174.6 | -43.3 | 37.8 | -22.2 | 0 | 0 | 0 | 112.3 | ||||
| 738 | P | 36.9 | Very low | 30.2 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | trans | -102.1 | 148.1 | -165.2 | 37 | -35.1 | 0 | 0 | 0 | 117.4 | ||||
| 739 | P | 31.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | trans | -103.7 | 109.5 | 167.3 | 35.3 | -28.1 | 0 | 0 | 0 | 114.6 | ||||
| 740 | R | 26.8 | Very low | 30.4 | Very low | 249 Ų | 249 | 143 Ų | 143 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | 18.6 | 141 | 144.2 | -56.3 | -178.2 | -178.3 | -160.7 | -2.3 | 121.9 | ||||
| 741 | T | 27.5 | Very low | 30.6 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -97.2 | 147.5 | 173.5 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 742 | S | 27 | Very low | 30.5 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -167.6 | 97.8 | 158.8 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 743 | T | 26.9 | Very low | 31.1 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | 56.9 | 106.4 | 91.4 | 63.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 744 | A | 28 | Very low | 31.2 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | -178.1 | 126.3 | 121.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 745 | K | 29.9 | Very low | 31.2 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | 15.5 | 126.7 | 148.2 | -60.3 | -177.1 | 176.6 | -177.8 | 0 | 122.9 | ||||
| 746 | Q | 31.5 | Very low | 31 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | 4.6 | 133.7 | 133.1 | -63.9 | 172.2 | -33.4 | 0 | 0 | 120.4 | ||||
| 747 | T | 27.5 | Very low | 31.4 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -149.1 | 146.4 | 130.4 | -24.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 748 | E | 30.7 | Very low | 31.8 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -85.8 | 143.6 | 168.3 | -62.3 | 179.9 | 128.3 | 0 | 0 | 110.5 | ||||
| 749 | G | 28 | Very low | 32.3 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -166.6 | 65.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 750 | R | 32.6 | Very low | 33.5 | Very low | 236 Ų | 236 | 144.4 Ų | 144.4 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -11.2 | 119.9 | 165.2 | -149.5 | -172.7 | -175.7 | -168.6 | -0 | 118.7 | ||||
| 751 | S | 32.3 | Very low | 35.1 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 51.4 | 109.7 | 145.8 | 65.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 752 | S | 29.1 | Very low | 37.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -158.5 | 168.5 | 134.2 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 753 | S | 39.6 | Very low | 39.9 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -55.2 | 136.5 | -174.6 | 46.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 754 | S | 31.7 | Very low | 42.6 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -117.2 | 114.8 | 154.6 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | Q756 | S754-Q756 PolarHBondContact O-N 3.01Š| ||
| 755 | D | 34.4 | Very low | 45.2 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -61.1 | 124 | 163.8 | -83.6 | -57.9 | 0 | 0 | 0 | 108.8 | S757 | D755-S757 PolarHBondContact O-N 2.91Š| ||
| 756 | Q | 36.1 | Very low | 47.9 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | trans | -76.4 | 102.8 | 166.7 | -70.1 | -174.7 | 6.4 | 0 | 0 | 108 | S754 R758 | S754-Q756 PolarHBondContact O-N 3.01Å; Q756-R758 HydrophobicContact CB-CG 4.44Å; Q756-R758 PolarHBondContact O-N 3.25Å | ||
| 757 | S | 37.4 | Very low | 50.6 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -64.7 | 78.8 | 158.6 | 46.6 | 0 | 0 | 0 | 0 | 109 | D755 G759 | D755-S757 PolarHBondContact O-N 2.91Å; S757-G759 PolarHBondContact O-N 2.81Å | ||
| 758 | R | 42.3 | Very low | 53.4 | Low | 215 Ų | 215 | 110.8 Ų | 110.8 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | trans | -57.4 | 105.9 | 167.7 | -68.2 | 173.9 | 81.1 | -178 | 6.4 | 106.6 | Q756 S760 | Q756-R758 HydrophobicContact CB-CG 4.44Å; Q756-R758 PolarHBondContact O-N 3.25Å; R758-S760 PolarHBondContact O-N 3.28Å | ||
| 759 | G | 48.6 | Very low | 56 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | trans | -55.1 | 111.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S757 S761 | S757-G759 PolarHBondContact O-N 2.81Å; G759-S761 PolarHBondContact O-N 3.41Å | ||
| 760 | S | 55.7 | Low | 58.8 | Low | 85 Ų | 85 | 109 Ų | 109 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | trans | -71.9 | 96 | -174.6 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | R758 L762 G786 | R758-S760 PolarHBondContact O-N 3.28Å; S760-L762 PolarHBondContact O-N 3.12Å; S760-L762 VanDerWaalsContact O-N 3.16Å; S760-G786 WeakPolarHBondContact O-CA 3.49Å | ||
| 761 | S | 60.9 | Low | 61.3 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 31% | 0.308 | 57% | 0.57 | S | S | . | * | trans | -45.4 | 120.2 | 160.8 | -178.3 | 0 | 0 | 0 | 0 | 108 | G759 F763 G783 | G759-S761 PolarHBondContact O-N 3.41Å; S761-F763 WeakPolarHBondContact CB-O 3.29Å; S761-F763 PolarHBondContact O-N 3.46Å; S761-F763 PolarHBondContact OG-O 3.19Å; S761-G783 CarbonylContact C-O 3.56Å; S761-G783 PolarHBondContact OG-O 3.33Å | ||
| 762 | L | 71.4 | Confident | 63.9 | Low | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -67.4 | -30.8 | -179 | -64.7 | 171.5 | 0 | 0 | 0 | 110.1 | S760 G783 | S760-L762 PolarHBondContact O-N 3.12Å; S760-L762 VanDerWaalsContact O-N 3.16Å; L762-G783 PolarHBondContact N-O 2.84Å |
| 763 | F | 82.9 | Confident | 66.5 | Low | 40 Ų | 40 | 96.9 Ų | 96.9 | 18% | 0.175 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -93.7 | 144.2 | 172.3 | -61.7 | -10.3 | 0 | 0 | 0 | 111.5 | L216 S761 L767 V768 L771 V779 G783 | L216-F763 HydrophobicContact CD1-CZ 4.19Å; L216-F763 HydrophobicContact CD2-CE1 4.46Å; L216-F763 HydrophobicContact CD2-CZ 3.87Å; S761-F763 WeakPolarHBondContact CB-O 3.29Å; S761-F763 PolarHBondContact O-N 3.46Å; S761-F763 PolarHBondContact OG-O 3.19Å; F763-L767 HydrophobicContact CB-CB 4.31Å; F763-L767 HydrophobicContact CB-CD2 3.88Å; F763-L767 HydrophobicContact CB-CG 4.16Å; F763-L767 HydrophobicContact CD1-CD2 3.79Å; F763-L767 HydrophobicContact CD2-CD2 4.22Å; F763-L767 HydrophobicContact CD2-CG 4.32Å; F763-L767 HydrophobicContact CE1-CD2 4.45Å; F763-L767 HydrophobicContact CG-CD2 3.68Å; F763-L767 HydrophobicContact CG-CG 4.16Å; F763-V768 HydrophobicContact CB-CG2 3.74Å; F763-V768 HydrophobicContact CD2-CG2 4.48Å; F763-L771 HydrophobicContact CD2-CD1 3.51Å; F763-L771 HydrophobicContact CE2-CD1 3.5Å; F763-V779 HydrophobicContact CE2-CG1 4.21Å; F763-V779 WeakPolarHBondContact CE2-O 3.29Å; F763-G783 PolarHBondContact N-O 3.23Å |
| 764 | S | 84.3 | Confident | 68.5 | Low | 74 Ų | 74 | 97 Ų | 97 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | trans | -66.1 | 151.4 | 166.9 | 71.6 | 0 | 0 | 0 | 0 | 110.3 | N766 L767 V768 | S764-N766 PolarHBondContact O-N 3.34Å; S764-L767 WeakPolarHBondContact O-CB 3.5Å; S764-L767 PolarHBondContact O-N 3.04Å; S764-L767 WeakPolarHBondContact OG-CB 3.43Å; S764-L767 PolarHBondContact OG-N 3.11Å; S764-V768 WeakPolarHBondContact O-CG2 3.5Å; S764-V768 PolarHBondContact O-N 2.89Å | ||
| 765 | L | 83.3 | Confident | 70.8 | Confident | 130 Ų | 130 | 93.4 Ų | 93.4 | 68% | 0.681 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59 | -31.6 | -179.7 | -65.8 | 174.9 | 0 | 0 | 0 | 112.5 | V768 E769 | L765-V768 PolarHBondContact O-N 3.08Å; L765-E769 VanDerWaalsContact O-CB 3.27Å; L765-E769 WeakPolarHBondContact O-CB 3.46Å; L765-E769 PolarHBondContact O-N 3.34Å |
| 766 | N | 86.7 | Confident | 73.2 | Confident | 81 Ų | 81 | 86.6 Ų | 86.6 | 43% | 0.433 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71 | -31.8 | 175.3 | -168.1 | -104.1 | 0 | 0 | 0 | 112.9 | S764 K770 | S764-N766 PolarHBondContact O-N 3.34Å; N766-K770 WeakPolarHBondContact O-CB 3.44Å; N766-K770 VanDerWaalsContact O-CG 3.29Å; N766-K770 WeakPolarHBondContact O-CG 3.43Å; N766-K770 PolarHBondContact O-N 3.36Å; N766-K770 VanDerWaalsContact OD1-CE 3.29Å; N766-K770 WeakPolarHBondContact OD1-CE 3.42Å; N766-K770 PolarHBondContact OD1-NZ 3.29Å |
| 767 | L | 87.2 | Confident | 75.5 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 171.9 | 176.8 | 58.7 | 0 | 0 | 0 | 110.7 | F763 S764 E769 K770 L771 | F763-L767 HydrophobicContact CB-CB 4.31Å; F763-L767 HydrophobicContact CB-CD2 3.88Å; F763-L767 HydrophobicContact CB-CG 4.16Å; F763-L767 HydrophobicContact CD1-CD2 3.79Å; F763-L767 HydrophobicContact CD2-CD2 4.22Å; F763-L767 HydrophobicContact CD2-CG 4.32Å; F763-L767 HydrophobicContact CE1-CD2 4.45Å; F763-L767 HydrophobicContact CG-CD2 3.68Å; F763-L767 HydrophobicContact CG-CG 4.16Å; S764-L767 WeakPolarHBondContact O-CB 3.5Å; S764-L767 PolarHBondContact O-N 3.04Å; S764-L767 WeakPolarHBondContact OG-CB 3.43Å; S764-L767 PolarHBondContact OG-N 3.11Å; L767-E769 PolarHBondContact O-N 3.32Å; L767-K770 PolarHBondContact O-N 3.21Å; L767-L771 HydrophobicContact CD1-CD1 4.13Å; L767-L771 HydrophobicContact CD1-CG 4.12Å; L767-L771 HydrophobicContact CG-CD1 4Å; L767-L771 HydrophobicContact CG-CG 4.46Å; L767-L771 WeakPolarHBondContact O-CB 3.31Å; L767-L771 VanDerWaalsContact O-CG 3.25Å; L767-L771 WeakPolarHBondContact O-CG 3.3Å; L767-L771 PolarHBondContact O-N 2.7Å |
| 768 | V | 85.9 | Confident | 77.8 | Confident | 7 Ų | 7 | 83 Ų | 83 | 4% | 0.042 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | F763 S764 L765 L771 Q772 A780 M784 | F763-V768 HydrophobicContact CB-CG2 3.74Å; F763-V768 HydrophobicContact CD2-CG2 4.48Å; S764-V768 WeakPolarHBondContact O-CG2 3.5Å; S764-V768 PolarHBondContact O-N 2.89Å; L765-V768 PolarHBondContact O-N 3.08Å; V768-L771 PolarHBondContact O-N 3.41Å; V768-Q772 VanDerWaalsContact O-CG 3.3Å; V768-Q772 WeakPolarHBondContact O-CG 3.3Å; V768-Q772 PolarHBondContact O-N 2.62Å; V768-A780 HydrophobicContact CG1-CB 4.22Å; V768-M784 HydrophobicContact CG1-CG 4.01Å; V768-M784 HydrophobicContact CG1-SD 3.55Å; V768-M784 VanDerWaalsContact CG1-SD 3.55Å; V768-M784 HydrophobicContact CG2-CG 3.75Å; V768-M784 HydrophobicContact CG2-SD 4.41Å |
| 769 | E | 85.8 | Confident | 79.8 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 177.6 | -176.5 | 176.5 | -151.8 | 0 | 0 | 112 | L765 L767 Q772 S773 | L765-E769 VanDerWaalsContact O-CB 3.27Å; L765-E769 WeakPolarHBondContact O-CB 3.46Å; L765-E769 PolarHBondContact O-N 3.34Å; L767-E769 PolarHBondContact O-N 3.32Å; E769-Q772 PolarHBondContact O-N 3.05Å; E769-S773 PolarHBondContact O-N 2.8Å |
| 770 | K | 87 | Confident | 81.5 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.1 | -79.1 | 169 | 174.2 | 161.3 | 0 | 113 | N766 L767 Q772 S773 L774 | N766-K770 WeakPolarHBondContact O-CB 3.44Å; N766-K770 VanDerWaalsContact O-CG 3.29Å; N766-K770 WeakPolarHBondContact O-CG 3.43Å; N766-K770 PolarHBondContact O-N 3.36Å; N766-K770 VanDerWaalsContact OD1-CE 3.29Å; N766-K770 WeakPolarHBondContact OD1-CE 3.42Å; N766-K770 PolarHBondContact OD1-NZ 3.29Å; L767-K770 PolarHBondContact O-N 3.21Å; K770-Q772 VanDerWaalsContact C-N 3.33Å; K770-Q772 PolarHBondContact O-N 3.18Å; K770-S773 WeakPolarHBondContact CA-OG 3.15Å; K770-S773 PolarHBondContact O-N 2.92Å; K770-S773 PolarHBondContact O-OG 3.37Å; K770-L774 VanDerWaalsContact O-CG 3.3Å; K770-L774 WeakPolarHBondContact O-CG 3.48Å; K770-L774 PolarHBondContact O-N 2.88Å |
| 771 | L | 85.3 | Confident | 82.9 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.1 | -72.3 | 167.2 | 0 | 0 | 0 | 110.5 | F763 L767 V768 L774 G775 L776 V779 A780 | F763-L771 HydrophobicContact CD2-CD1 3.51Å; F763-L771 HydrophobicContact CE2-CD1 3.5Å; L767-L771 HydrophobicContact CD1-CD1 4.13Å; L767-L771 HydrophobicContact CD1-CG 4.12Å; L767-L771 HydrophobicContact CG-CD1 4Å; L767-L771 HydrophobicContact CG-CG 4.46Å; L767-L771 WeakPolarHBondContact O-CB 3.31Å; L767-L771 VanDerWaalsContact O-CG 3.25Å; L767-L771 WeakPolarHBondContact O-CG 3.3Å; L767-L771 PolarHBondContact O-N 2.7Å; V768-L771 PolarHBondContact O-N 3.41Å; L771-L774 CarbonylContact O-C 3.57Å; L771-L774 PolarHBondContact O-N 2.99Å; L771-L774 VanDerWaalsContact O-N 3.16Å; L771-G775 PolarHBondContact O-N 3.4Å; L771-L776 HydrophobicContact CB-CB 4.27Å; L771-L776 HydrophobicContact CD2-CB 4.21Å; L771-L776 HydrophobicContact CD2-CD1 3.79Å; L771-L776 WeakPolarHBondContact O-CA 3.39Å; L771-L776 WeakPolarHBondContact O-CB 3.48Å; L771-L776 PolarHBondContact O-N 3.39Å; L771-V779 HydrophobicContact CD1-CG1 4.02Å; L771-V779 HydrophobicContact CD2-CG1 4.04Å; L771-A780 HydrophobicContact CB-CB 3.89Å |
| 772 | Q | 85.9 | Confident | 83.9 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 174.5 | -68.7 | 175.3 | 8.5 | 0 | 0 | 112.6 | V768 E769 K770 L774 G775 H777 A780 | V768-Q772 VanDerWaalsContact O-CG 3.3Å; V768-Q772 WeakPolarHBondContact O-CG 3.3Å; V768-Q772 PolarHBondContact O-N 2.62Å; E769-Q772 PolarHBondContact O-N 3.05Å; K770-Q772 VanDerWaalsContact C-N 3.33Å; K770-Q772 PolarHBondContact O-N 3.18Å; Q772-L774 PolarHBondContact O-N 3.31Å; Q772-G775 PolarHBondContact O-N 3.12Å; Q772-H777 PolarHBondContact O-CE1 3.43Å; Q772-H777 VanDerWaalsContact O-CE1 3.28Å; Q772-A780 HydrophobicContact CG-CB 3.64Å |
| 773 | S | 83.8 | Confident | 84.2 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 67% | 0.671 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.6 | -19.8 | 174.7 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | E769 K770 | E769-S773 PolarHBondContact O-N 2.8Å; K770-S773 WeakPolarHBondContact CA-OG 3.15Å; K770-S773 PolarHBondContact O-N 2.92Å; K770-S773 PolarHBondContact O-OG 3.37Å |
| 774 | L | 81.1 | Confident | 84.1 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 62% | 0.618 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5.6 | 172.4 | -66.1 | 169.3 | 0 | 0 | 0 | 112.8 | K770 L771 Q772 L776 | K770-L774 VanDerWaalsContact O-CG 3.3Å; K770-L774 WeakPolarHBondContact O-CG 3.48Å; K770-L774 PolarHBondContact O-N 2.88Å; L771-L774 CarbonylContact O-C 3.57Å; L771-L774 PolarHBondContact O-N 2.99Å; L771-L774 VanDerWaalsContact O-N 3.16Å; Q772-L774 PolarHBondContact O-N 3.31Å; L774-L776 VanDerWaalsContact C-N 3.27Å; L774-L776 HydrophobicContact CB-CD1 4.37Å; L774-L776 HydrophobicContact CB-CG 4.25Å; L774-L776 PolarHBondContact O-N 2.98Å |
| 775 | G | 80 | Confident | 83.6 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 4.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L771 Q772 H777 | L771-G775 PolarHBondContact O-N 3.4Å; Q772-G775 PolarHBondContact O-N 3.12Å; G775-H777 PolarHBondContact O-CD2 2.85Å; G775-H777 VanDerWaalsContact O-CD2 3.24Å; G775-H777 PolarHBondContact O-N 2.87Å |
| 776 | L | 85.1 | Confident | 82.5 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | trans | -85.9 | 61 | -177 | -55.1 | 179 | 0 | 0 | 0 | 110.9 | E223 L224 L771 L774 V779 A780 | E223-L776 HydrophobicContact CB-CD2 3.73Å; E223-L776 VanDerWaalsContact OE2-CA 3.23Å; E223-L776 WeakPolarHBondContact OE2-CA 3.4Å; L224-L776 HydrophobicContact CD2-CD2 3.92Å; L224-L776 HydrophobicContact CG-CD2 3.91Å; L771-L776 HydrophobicContact CB-CB 4.27Å; L771-L776 HydrophobicContact CD2-CB 4.21Å; L771-L776 HydrophobicContact CD2-CD1 3.79Å; L771-L776 WeakPolarHBondContact O-CA 3.39Å; L771-L776 WeakPolarHBondContact O-CB 3.48Å; L771-L776 PolarHBondContact O-N 3.39Å; L774-L776 VanDerWaalsContact C-N 3.27Å; L774-L776 HydrophobicContact CB-CD1 4.37Å; L774-L776 HydrophobicContact CB-CG 4.25Å; L774-L776 PolarHBondContact O-N 2.98Å; L776-V779 HydrophobicContact CB-CB 4.01Å; L776-V779 HydrophobicContact CB-CG2 4.06Å; L776-A780 VanDerWaalsContact O-CB 3.3Å; L776-A780 WeakPolarHBondContact O-CB 3.07Å; L776-A780 PolarHBondContact O-N 2.86Å | ||
| 777 | H | 86.1 | Confident | 81 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.9 | -35.4 | -171.1 | -63.1 | -73 | 0 | 0 | 0 | 113.6 | E223 Q772 G775 A781 | E223-H777 PolarHBondContact OE1-N 3.41Å; E223-H777 PolarHBondContact OE2-N 2.8Å; E223-H777 VanDerWaalsContact OE2-N 3.15Å; Q772-H777 PolarHBondContact O-CE1 3.43Å; Q772-H777 VanDerWaalsContact O-CE1 3.28Å; G775-H777 PolarHBondContact O-CD2 2.85Å; G775-H777 VanDerWaalsContact O-CD2 3.24Å; G775-H777 PolarHBondContact O-N 2.87Å; H777-A781 VanDerWaalsContact O-CB 3.3Å; H777-A781 WeakPolarHBondContact O-CB 3.24Å; H777-A781 PolarHBondContact O-N 3.5Å |
| 778 | R | 84.1 | Confident | 78.9 | Confident | 106 Ų | 106 | 74.8 Ų | 74.8 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 172.8 | -62.7 | 161.8 | 62.4 | -145.2 | 7.2 | 110.8 | V219 E222 E223 A781 W782 | V219-R778 HydrophobicContact CG1-CB 3.64Å; E222-R778 IonicContact OE2-CZ 3.27Å; E222-R778 IonicContact OE2-NH1 3.64Å; E222-R778 PolarHBondContact OE2-NH1 3.45Å; E222-R778 IonicContact OE2-NH2 2.72Å; E222-R778 PolarHBondContact OE2-NH2 2.87Å; E223-R778 VanDerWaalsContact CD-CB 3.42Å; E223-R778 HydrophobicContact CG-CB 4.18Å; E223-R778 HydrophobicContact CG-CG 4.35Å; E223-R778 WeakPolarHBondContact OE1-CB 3.47Å; E223-R778 WeakPolarHBondContact OE1-CD 3.23Å; E223-R778 WeakPolarHBondContact OE1-CG 3.37Å; E223-R778 PolarHBondContact OE1-N 3.13Å; E223-R778 WeakPolarHBondContact OE2-CA 3.49Å; E223-R778 WeakPolarHBondContact OE2-CB 3.23Å; E223-R778 PolarHBondContact OE2-N 3.12Å; R778-A781 PolarHBondContact O-N 2.88Å; R778-W782 WeakPolarHBondContact O-CB 3.48Å; R778-W782 PolarHBondContact O-N 3.3Å |
| 779 | V | 84.2 | Confident | 76.8 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.018 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | L216 V219 C220 E223 F763 L771 L776 A781 W782 G783 | L216-V779 HydrophobicContact CD1-CG1 3.91Å; V219-V779 HydrophobicContact CG1-CG2 3.89Å; C220-V779 HydrophobicContact CB-CG2 4.14Å; C220-V779 VanDerWaalsContact SG-CG1 3.59Å; C220-V779 WeakPolarHBondContact SG-CG2 3.34Å; E223-V779 WeakPolarHBondContact OE2-CG2 3.28Å; E223-V779 PolarHBondContact OE2-N 3Å; F763-V779 HydrophobicContact CE2-CG1 4.21Å; F763-V779 WeakPolarHBondContact CE2-O 3.29Å; L771-V779 HydrophobicContact CD1-CG1 4.02Å; L771-V779 HydrophobicContact CD2-CG1 4.04Å; L776-V779 HydrophobicContact CB-CB 4.01Å; L776-V779 HydrophobicContact CB-CG2 4.06Å; V779-A781 PolarHBondContact O-N 3.34Å; V779-W782 WeakPolarHBondContact O-CB 3.44Å; V779-W782 PolarHBondContact O-N 2.89Å; V779-G783 PolarHBondContact O-N 3.22Å; V779-G783 VanDerWaalsContact O-N 3.13Å |
| 780 | A | 85.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V768 L771 Q772 L776 G783 M784 | V768-A780 HydrophobicContact CG1-CB 4.22Å; L771-A780 HydrophobicContact CB-CB 3.89Å; Q772-A780 HydrophobicContact CG-CB 3.64Å; L776-A780 VanDerWaalsContact O-CB 3.3Å; L776-A780 WeakPolarHBondContact O-CB 3.07Å; L776-A780 PolarHBondContact O-N 2.86Å; A780-G783 PolarHBondContact O-N 3.43Å; A780-M784 WeakPolarHBondContact O-CG 3.48Å; A780-M784 PolarHBondContact O-N 3.37Å |
| 781 | A | 83.8 | Confident | 72.4 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H777 R778 V779 M784 M785 | H777-A781 VanDerWaalsContact O-CB 3.3Å; H777-A781 WeakPolarHBondContact O-CB 3.24Å; H777-A781 PolarHBondContact O-N 3.5Å; R778-A781 PolarHBondContact O-N 2.88Å; V779-A781 PolarHBondContact O-N 3.34Å; A781-M784 PolarHBondContact O-N 3.24Å; A781-M785 WeakPolarHBondContact O-CG 3.12Å; A781-M785 PolarHBondContact O-N 3.27Å |
| 782 | W | 82.4 | Confident | 70.3 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.9 | -53.4 | 174.6 | -106 | 81.9 | 0 | 0 | 0 | 111.7 | E215 L216 R778 V779 M784 M785 | E215-W782 HydrophobicContact CB-CH2 4.35Å; E215-W782 VanDerWaalsContact CD-CZ2 3.47Å; E215-W782 HydrophobicContact CG-CH2 3.85Å; E215-W782 HydrophobicContact CG-CZ2 3.89Å; E215-W782 WeakPolarHBondContact OE1-CZ2 3.33Å; E215-W782 WeakPolarHBondContact OE2-CH2 3.41Å; L216-W782 HydrophobicContact CD1-CB 4Å; L216-W782 HydrophobicContact CD1-CG 4.47Å; R778-W782 WeakPolarHBondContact O-CB 3.48Å; R778-W782 PolarHBondContact O-N 3.3Å; V779-W782 WeakPolarHBondContact O-CB 3.44Å; V779-W782 PolarHBondContact O-N 2.89Å; W782-M784 PolarHBondContact O-N 3.2Å; W782-M785 PolarHBondContact O-N 3.06Å |
| 783 | G | 78.5 | Confident | 67.8 | Low | 2 Ų | 2 | 87.6 Ų | 87.6 | 2% | 0.021 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.3 | -22.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S761 L762 F763 V779 A780 | S761-G783 CarbonylContact C-O 3.56Å; S761-G783 PolarHBondContact OG-O 3.33Å; L762-G783 PolarHBondContact N-O 2.84Å; F763-G783 PolarHBondContact N-O 3.23Å; V779-G783 PolarHBondContact O-N 3.22Å; V779-G783 VanDerWaalsContact O-N 3.13Å; A780-G783 PolarHBondContact O-N 3.43Å |
| 784 | M | 80.9 | Confident | 65.5 | Low | 94 Ų | 94 | 90.6 Ų | 90.6 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -78.4 | -25.6 | 170.5 | -69.5 | -178.3 | 78.8 | 0 | 0 | 113.3 | V768 A780 A781 W782 G786 | V768-M784 HydrophobicContact CG1-CG 4.01Å; V768-M784 HydrophobicContact CG1-SD 3.55Å; V768-M784 VanDerWaalsContact CG1-SD 3.55Å; V768-M784 HydrophobicContact CG2-CG 3.75Å; V768-M784 HydrophobicContact CG2-SD 4.41Å; A780-M784 WeakPolarHBondContact O-CG 3.48Å; A780-M784 PolarHBondContact O-N 3.37Å; A781-M784 PolarHBondContact O-N 3.24Å; W782-M784 PolarHBondContact O-N 3.2Å; M784-G786 PolarHBondContact O-N 3.41Å |
| 785 | M | 73.1 | Confident | 63 | Low | 144 Ų | 144 | 96 Ų | 96 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -81.2 | 59.4 | 175.5 | -67.9 | -167.4 | -163.1 | 0 | 0 | 111.8 | A781 W782 R787 | A781-M785 WeakPolarHBondContact O-CG 3.12Å; A781-M785 PolarHBondContact O-N 3.27Å; W782-M785 PolarHBondContact O-N 3.06Å; M785-R787 PolarHBondContact O-N 2.99Å |
| 786 | G | 60 | Low | 61.3 | Low | 22 Ų | 22 | 100.6 Ų | 100.6 | 23% | 0.227 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 130.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | S760 M784 R788 | S760-G786 WeakPolarHBondContact O-CA 3.49Å; M784-G786 PolarHBondContact O-N 3.41Å; G786-R788 PolarHBondContact O-N 2.79Å; G786-R788 VanDerWaalsContact O-N 3.1Å |
| 787 | R | 54.9 | Low | 59.1 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 45% | 0.445 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -0.1 | 85.4 | -173.2 | -80.6 | -167.5 | 176.8 | -93.1 | 21.4 | 114.8 | E205 Y209 M785 G789 | E205-R787 IonicContact OE1-NH2 2.69Å; Y209-R787 PolarHBondContact OH-NH2 3.47Å; M785-R787 PolarHBondContact O-N 2.99Å; R787-G789 PolarHBondContact O-N 2.86Å |
| 788 | R | 44.9 | Very low | 56.6 | Low | 229 Ų | 229 | 114.7 Ų | 114.7 | 86% | 0.864 | 59% | 0.588 | S | S | * | * | trans | -72.4 | 84.6 | 161 | -177.7 | -177 | -76.2 | -109.8 | 1.8 | 108.5 | G786 T790 | G786-R788 PolarHBondContact O-N 2.79Å; G786-R788 VanDerWaalsContact O-N 3.1Å; R788-T790 PolarHBondContact O-N 3.47Å | ||
| 789 | G | 41.3 | Very low | 55.2 | Low | 61 Ų | 61 | 115.1 Ų | 115.1 | 63% | 0.629 | 60% | 0.597 | S | S | * | * | trans | -51.8 | 126.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R787 D791 | R787-G789 PolarHBondContact O-N 2.86Å; G789-D791 PolarHBondContact O-N 3.26Å; G789-D791 VanDerWaalsContact O-N 3.09Å | ||
| 790 | T | 39.1 | Very low | 53.7 | Low | 136 Ų | 136 | 121 Ų | 121 | 83% | 0.834 | 63% | 0.627 | S | S | * | * | trans | -84.8 | 45.9 | -179.6 | 43.6 | 0 | 0 | 0 | 0 | 112.3 | R788 G792 | R788-T790 PolarHBondContact O-N 3.47Å; T790-G792 PolarHBondContact O-N 3.28Å | ||
| 791 | D | 41.2 | Very low | 52 | Low | 172 Ų | 172 | 127.7 Ų | 127.7 | 92% | 0.92 | 66% | 0.662 | S | S | * | * | trans | -68 | 78.4 | 169 | -86.1 | -37 | 0 | 0 | 0 | 110 | G789 | G789-D791 PolarHBondContact O-N 3.26Å; G789-D791 VanDerWaalsContact O-N 3.09Å | ||
| 792 | G | 40.2 | Very low | 50.1 | Low | 61 Ų | 61 | 133 Ų | 133 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | trans | -164.9 | 11.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T790 N794 | T790-G792 PolarHBondContact O-N 3.28Å; G792-N794 PolarHBondContact O-N 3.23Å | ||
| 793 | H | 34.2 | Very low | 48.1 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 88% | 0.88 | 70% | 0.703 | S | S | * | * | trans | -94.2 | 93 | 174.4 | -102 | 34.1 | 0 | 0 | 0 | 112.4 | R795 | H793-R795 PolarHBondContact O-N 3.24Š| ||
| 794 | N | 35.5 | Very low | 46 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -53.6 | 116.2 | 165.7 | -81.7 | -44.1 | 0 | 0 | 0 | 110.5 | G792 P796 | G792-N794 PolarHBondContact O-N 3.23Å; N794-P796 WeakPolarHBondContact O-CD 3.36Å | ||
| 795 | R | 29.3 | Very low | 43.6 | Very low | 232 Ų | 232 | 147.9 Ų | 147.9 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -67.7 | 123.6 | 160.9 | -73.4 | -173.6 | 176 | -164.6 | -0.3 | 108.8 | H793 T797 | H793-R795 PolarHBondContact O-N 3.24Å; R795-T797 PolarHBondContact O-N 2.88Å | ||
| 796 | P | 43.4 | Very low | 41.3 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 109.2 | 167.6 | 29.5 | -31.6 | 0 | 0 | 0 | 108.8 | N794 | N794-P796 WeakPolarHBondContact O-CD 3.36Š| ||
| 797 | T | 38.1 | Very low | 39.7 | Very low | 143 Ų | 143 | 158.7 Ų | 158.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -70.4 | 142.7 | 166.6 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | R795 | R795-T797 PolarHBondContact O-N 2.88Š| ||
| 798 | K | 34.6 | Very low | 38.3 | Very low | 276 Ų | 276 | 162.4 Ų | 162.4 | 100% | 1.2 | 85% | 0.853 | S | S | * | * | trans | -140.3 | 0 | 172.9 | -165.6 | -178.2 | -175.9 | -177.1 | 0 | 108.9 |
Retrieved 798 of 798 residues in 673.1 ms
(Link to these results)