| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 33.8 | Very low | 246 Ų | 246 | 148.8 Ų | 148.8 | 100% | 1.212 | 84% | 0.84 | S | S | * | * | 0 | 103.6 | 0 | -86.1 | 167.2 | 177.3 | 0 | 0 | 107.5 | |||||
| 2 | I | 33.8 | Very low | 33.8 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -123.9 | 126.6 | -178.8 | -63.4 | 168.6 | 0 | 0 | 0 | 104.5 | ||||
| 3 | P | 43 | Very low | 33.7 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 153.3 | -178.8 | 30.3 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 4 | P | 39.9 | Very low | 33.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74 | 146.6 | -179.1 | 30.6 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 5 | P | 36.4 | Very low | 33.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 139.8 | 172.2 | 29.1 | -28.6 | 0 | 0 | 0 | 110.8 | ||
| 6 | S | 31.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 142 | -179.8 | 40.8 | 0 | 0 | 0 | 0 | 113.9 | A8 | S6-A8 PolarHBondContact O-N 3.38Š|
| 7 | M | 31 | Very low | 33.8 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -59.9 | 105.1 | 166.2 | -72.9 | -167.6 | -84.1 | 0 | 0 | 109.8 | N9 | M7-N9 PolarHBondContact O-N 2.95Š| ||
| 8 | A | 30.8 | Very low | 34.1 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 114.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S6 Y10 | S6-A8 PolarHBondContact O-N 3.38Å; A8-Y10 PolarHBondContact O-N 3.14Å | ||
| 9 | N | 28.1 | Very low | 34.5 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -49.6 | 103.1 | 167 | -88.9 | -25.8 | 0 | 0 | 0 | 110.5 | M7 S11 | M7-N9 PolarHBondContact O-N 2.95Å; N9-S11 PolarHBondContact O-N 3.38Å | ||
| 10 | Y | 27.1 | Very low | 34.9 | Very low | 219 Ų | 219 | 138.3 Ų | 138.3 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -78.2 | 99.1 | 155.1 | -98.6 | -91.8 | 0 | 0 | 0 | 107.4 | A8 H12 | A8-Y10 PolarHBondContact O-N 3.14Å; Y10-H12 PolarHBondContact O-N 3.25Å | ||
| 11 | S | 29.8 | Very low | 35.3 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -55.5 | 98.1 | 170 | 30.8 | 0 | 0 | 0 | 0 | 110.8 | N9 A13 | N9-S11 PolarHBondContact O-N 3.38Å; S11-A13 PolarHBondContact O-N 3Å | ||
| 12 | H | 33.8 | Very low | 36.1 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -66.9 | 71.7 | 159.1 | -99.2 | -83.3 | 0 | 0 | 0 | 109.3 | Y10 D15 | Y10-H12 PolarHBondContact O-N 3.25Å; H12-D15 IonicContact CE1-OD2 3.11Å; H12-D15 PolarHBondContact CE1-OD2 2.82Å; H12-D15 IonicContact ND1-OD2 3.02Å; H12-D15 PolarHBondContact ND1-OD2 3.02Å | ||
| 13 | A | 32.4 | Very low | 37.9 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | -103.7 | 2.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S11 | S11-A13 PolarHBondContact O-N 3Š| ||
| 14 | G | 29.4 | Very low | 39.8 | Very low | 52 Ų | 52 | 127.9 Ų | 127.9 | 54% | 0.536 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -106.6 | -13.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 15 | D | 35.7 | Very low | 42 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -98 | -9.3 | -172.5 | -80.5 | -32.8 | 0 | 0 | 0 | 114.7 | H12 T17 | H12-D15 IonicContact CE1-OD2 3.11Å; H12-D15 PolarHBondContact CE1-OD2 2.82Å; H12-D15 IonicContact ND1-OD2 3.02Å; H12-D15 PolarHBondContact ND1-OD2 3.02Å; D15-T17 VanDerWaalsContact C-N 3.31Å; D15-T17 PolarHBondContact O-N 3.32Å |
| 16 | H | 35.2 | Very low | 44.3 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -10.9 | -178.9 | -84.2 | -67.3 | 0 | 0 | 0 | 114.4 | ||
| 17 | T | 35.1 | Very low | 47 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -5.9 | -175.4 | 42.5 | 0 | 0 | 0 | 0 | 114.9 | D15 | D15-T17 VanDerWaalsContact C-N 3.31Å; D15-T17 PolarHBondContact O-N 3.32Å |
| 18 | I | 39.8 | Very low | 49.9 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 72% | 0.723 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -99.8 | -12.1 | 178.1 | -60.2 | -169.7 | 0 | 0 | 0 | 112.7 | ||
| 19 | L | 42.6 | Very low | 52.8 | Low | 149 Ų | 149 | 117.2 Ų | 117.2 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -98.7 | 27.2 | -176.5 | -151.2 | 87.7 | 0 | 0 | 0 | 115 | ||
| 20 | Q | 41.4 | Very low | 55.8 | Low | 166 Ų | 166 | 111.4 Ų | 111.4 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -132.5 | 2.5 | 179 | -88.4 | -171.8 | -19.7 | 0 | 0 | 116.7 | ||
| 21 | N | 44.3 | Very low | 59 | Low | 163 Ų | 163 | 102.7 Ų | 102.7 | 87% | 0.872 | 58% | 0.58 | S | S | * | * | trans | -103 | 52.5 | 173.5 | -79.1 | -12.8 | 0 | 0 | 0 | 112.4 | S23 | N21-S23 PolarHBondContact O-N 3.44Š| ||
| 22 | V | 57.3 | Low | 62.1 | Low | 100 Ų | 100 | 100.7 Ų | 100.7 | 61% | 0.606 | 56% | 0.564 | S | S | * | * | trans | -72.9 | 108.5 | 151.4 | -178.6 | 0 | 0 | 0 | 0 | 105.1 | T27 | V22-T27 WeakPolarHBondContact CG1-OG1 3.41Š| ||
| 23 | S | 71.7 | Confident | 65 | Low | 60 Ų | 60 | 96 Ų | 96 | 42% | 0.42 | 55% | 0.547 | S | S | . | . | trans | -56.3 | 130.7 | -177.8 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | N21 L25 A26 T27 | N21-S23 PolarHBondContact O-N 3.44Å; S23-L25 PolarHBondContact O-N 3.31Å; S23-A26 WeakPolarHBondContact O-CB 3.19Å; S23-A26 PolarHBondContact O-N 3.48Å; S23-A26 VanDerWaalsContact OG-CB 3.32Å; S23-A26 WeakPolarHBondContact OG-CB 3.11Å; S23-A26 PolarHBondContact OG-N 3.46Å; S23-T27 PolarHBondContact O-N 3.22Å | ||
| 24 | P | 81.7 | Confident | 67.9 | Low | 114 Ų | 114 | 91.7 Ų | 91.7 | 74% | 0.74 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.5 | -28.1 | -179.9 | 20.7 | -32.5 | 0 | 0 | 0 | 111.5 | F28 | P24-F28 WeakPolarHBondContact O-CB 3.47Å; P24-F28 PolarHBondContact O-N 3.48Å |
| 25 | L | 86.1 | Confident | 71.1 | Confident | 111 Ų | 111 | 90.8 Ų | 90.8 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 170.4 | -176.8 | 62 | 0 | 0 | 0 | 113.2 | S23 F28 L29 | S23-L25 PolarHBondContact O-N 3.31Å; L25-F28 PolarHBondContact O-N 3.04Å; L25-L29 HydrophobicContact CD1-CD1 4.38Å; L25-L29 HydrophobicContact CD1-CG 4.37Å; L25-L29 HydrophobicContact CG-CD1 4.13Å; L25-L29 WeakPolarHBondContact O-CB 3.45Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.42Å |
| 26 | A | 85.3 | Confident | 74 | Confident | 35 Ų | 35 | 92.5 Ų | 92.5 | 29% | 0.289 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S23 L29 K30 | S23-A26 WeakPolarHBondContact O-CB 3.19Å; S23-A26 PolarHBondContact O-N 3.48Å; S23-A26 VanDerWaalsContact OG-CB 3.32Å; S23-A26 WeakPolarHBondContact OG-CB 3.11Å; S23-A26 PolarHBondContact OG-N 3.46Å; A26-L29 PolarHBondContact O-N 3.37Å; A26-K30 WeakPolarHBondContact O-CG 3.39Å; A26-K30 PolarHBondContact O-N 2.92Å |
| 27 | T | 88 | Confident | 76.9 | Confident | 41 Ų | 41 | 85.7 Ų | 85.7 | 25% | 0.252 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | V22 S23 L29 K30 L31 V88 | V22-T27 WeakPolarHBondContact CG1-OG1 3.41Å; S23-T27 PolarHBondContact O-N 3.22Å; T27-L29 PolarHBondContact O-N 3.39Å; T27-K30 PolarHBondContact O-N 3.02Å; T27-L31 HydrophobicContact CG2-CD1 4.21Å; T27-L31 WeakPolarHBondContact O-CG 3.19Å; T27-L31 PolarHBondContact O-N 2.86Å; T27-V88 HydrophobicContact CG2-CG1 4.12Å |
| 28 | F | 91.3 | Very high | 79.8 | Confident | 127 Ų | 127 | 81.4 Ų | 81.4 | 56% | 0.557 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.5 | -44.3 | 174.9 | 177.7 | -98.8 | 0 | 0 | 0 | 112.2 | P24 L25 L31 T32 | P24-F28 WeakPolarHBondContact O-CB 3.47Å; P24-F28 PolarHBondContact O-N 3.48Å; L25-F28 PolarHBondContact O-N 3.04Å; F28-L31 PolarHBondContact O-N 2.9Å; F28-T32 HydrophobicContact CD1-CG2 4.31Å; F28-T32 HydrophobicContact CD2-CG2 4.24Å; F28-T32 HydrophobicContact CE1-CG2 3.9Å; F28-T32 HydrophobicContact CE2-CG2 3.83Å; F28-T32 HydrophobicContact CG-CG2 4.47Å; F28-T32 HydrophobicContact CZ-CG2 3.65Å; F28-T32 WeakPolarHBondContact O-CB 3.33Å; F28-T32 WeakPolarHBondContact O-CG2 3.48Å; F28-T32 PolarHBondContact O-N 3.05Å; F28-T32 PolarHBondContact O-OG1 3.22Å |
| 29 | L | 91.9 | Very high | 82.5 | Confident | 97 Ų | 97 | 76.3 Ų | 76.3 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.3 | -71.4 | 172.7 | 0 | 0 | 0 | 112.2 | L25 A26 T27 T32 S33 | L25-L29 HydrophobicContact CD1-CD1 4.38Å; L25-L29 HydrophobicContact CD1-CG 4.37Å; L25-L29 HydrophobicContact CG-CD1 4.13Å; L25-L29 WeakPolarHBondContact O-CB 3.45Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.42Å; A26-L29 PolarHBondContact O-N 3.37Å; T27-L29 PolarHBondContact O-N 3.39Å; L29-T32 WeakPolarHBondContact CA-OG1 3.42Å; L29-T32 PolarHBondContact O-OG1 2.84Å; L29-T32 VanDerWaalsContact O-OG1 3.12Å; L29-S33 VanDerWaalsContact O-CB 3.27Å; L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.17Å |
| 30 | K | 91.5 | Very high | 85 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 17% | 0.165 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 174.8 | -74.7 | -175.9 | 176.7 | -168.3 | 0 | 111.6 | A26 T27 S33 L34 V88 D177 W333 | A26-K30 WeakPolarHBondContact O-CG 3.39Å; A26-K30 PolarHBondContact O-N 2.92Å; T27-K30 PolarHBondContact O-N 3.02Å; K30-S33 PolarHBondContact O-OG 3.04Å; K30-S33 VanDerWaalsContact O-OG 3.1Å; K30-L34 WeakPolarHBondContact O-CB 3.36Å; K30-L34 PolarHBondContact O-N 2.99Å; K30-V88 HydrophobicContact CB-CG1 3.83Å; K30-V88 HydrophobicContact CD-CG1 4.19Å; K30-D177 IonicContact NZ-OD2 2.69Å; K30-D177 PolarHBondContact NZ-OD2 3.2Å; K30-W333 HydrophobicContact CB-CZ2 3.83Å; K30-W333 HydrophobicContact CD-CZ2 4.25Å; K30-W333 HydrophobicContact CG-CZ2 3.83Å |
| 31 | L | 93.9 | Very high | 87.5 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | -178.9 | -70 | 173.8 | 0 | 0 | 0 | 112.4 | T27 F28 G35 F85 V88 K89 | T27-L31 HydrophobicContact CG2-CD1 4.21Å; T27-L31 WeakPolarHBondContact O-CG 3.19Å; T27-L31 PolarHBondContact O-N 2.86Å; F28-L31 PolarHBondContact O-N 2.9Å; L31-G35 PolarHBondContact O-N 3.15Å; L31-F85 HydrophobicContact CB-CE2 4.21Å; L31-F85 HydrophobicContact CD2-CD1 4.38Å; L31-F85 HydrophobicContact CD2-CD2 3.99Å; L31-F85 HydrophobicContact CD2-CE1 4.22Å; L31-F85 HydrophobicContact CD2-CE2 3.81Å; L31-F85 HydrophobicContact CD2-CG 4.26Å; L31-F85 HydrophobicContact CD2-CZ 3.93Å; L31-V88 HydrophobicContact CD2-CB 3.93Å; L31-V88 HydrophobicContact CD2-CG1 3.7Å; L31-V88 HydrophobicContact CG-CG1 3.86Å; L31-K89 HydrophobicContact CD2-CB 4.27Å |
| 32 | T | 94.8 | Very high | 90 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 179.5 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | F28 L29 G35 F36 | F28-T32 HydrophobicContact CD1-CG2 4.31Å; F28-T32 HydrophobicContact CD2-CG2 4.24Å; F28-T32 HydrophobicContact CE1-CG2 3.9Å; F28-T32 HydrophobicContact CE2-CG2 3.83Å; F28-T32 HydrophobicContact CG-CG2 4.47Å; F28-T32 HydrophobicContact CZ-CG2 3.65Å; F28-T32 WeakPolarHBondContact O-CB 3.33Å; F28-T32 WeakPolarHBondContact O-CG2 3.48Å; F28-T32 PolarHBondContact O-N 3.05Å; F28-T32 PolarHBondContact O-OG1 3.22Å; L29-T32 WeakPolarHBondContact CA-OG1 3.42Å; L29-T32 PolarHBondContact O-OG1 2.84Å; L29-T32 VanDerWaalsContact O-OG1 3.12Å; T32-G35 PolarHBondContact O-N 3.43Å; T32-F36 WeakPolarHBondContact O-CB 3.45Å; T32-F36 PolarHBondContact O-N 3.02Å |
| 33 | S | 94.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.5 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | L29 K30 F36 I37 | L29-S33 VanDerWaalsContact O-CB 3.27Å; L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.17Å; K30-S33 PolarHBondContact O-OG 3.04Å; K30-S33 VanDerWaalsContact O-OG 3.1Å; S33-F36 WeakPolarHBondContact O-CB 3.44Å; S33-F36 PolarHBondContact O-N 3.18Å; S33-I37 VanDerWaalsContact O-CG1 3.29Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 3.3Å |
| 34 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.5 | -176 | 59.3 | 0 | 0 | 0 | 112 | K30 F36 I37 I38 F81 V84 F85 W333 F336 | K30-L34 WeakPolarHBondContact O-CB 3.36Å; K30-L34 PolarHBondContact O-N 2.99Å; L34-F36 VanDerWaalsContact C-N 3.27Å; L34-F36 PolarHBondContact O-N 3.36Å; L34-I37 PolarHBondContact O-N 3.44Å; L34-I37 VanDerWaalsContact O-N 3.16Å; L34-I38 HydrophobicContact CD1-CD1 4.29Å; L34-I38 HydrophobicContact CD1-CG1 4.34Å; L34-I38 HydrophobicContact CG-CD1 3.97Å; L34-I38 HydrophobicContact CG-CG1 4.45Å; L34-I38 VanDerWaalsContact O-CG1 3.29Å; L34-I38 WeakPolarHBondContact O-CG1 3.11Å; L34-I38 PolarHBondContact O-N 2.97Å; L34-F81 HydrophobicContact CD1-CB 4.13Å; L34-F81 HydrophobicContact CD1-CG 4.26Å; L34-V84 HydrophobicContact CD2-CB 4.12Å; L34-V84 HydrophobicContact CD2-CG1 3.95Å; L34-F85 HydrophobicContact CB-CD2 4.45Å; L34-F85 HydrophobicContact CD2-CB 3.56Å; L34-F85 HydrophobicContact CD2-CD2 3.96Å; L34-F85 HydrophobicContact CD2-CG 4.24Å; L34-F85 HydrophobicContact CG-CB 4.44Å; L34-F85 HydrophobicContact CG-CD2 4.26Å; L34-W333 HydrophobicContact CB-CH2 3.55Å; L34-W333 HydrophobicContact CB-CZ3 3.54Å; L34-W333 HydrophobicContact CD1-CH2 3.95Å; L34-W333 HydrophobicContact CD1-CZ3 3.53Å; L34-W333 HydrophobicContact CD2-CH2 3.95Å; L34-W333 HydrophobicContact CD2-CZ3 4.37Å; L34-W333 HydrophobicContact CG-CH2 3.99Å; L34-W333 HydrophobicContact CG-CZ3 3.94Å; L34-F336 HydrophobicContact CD1-CD2 4.4Å |
| 35 | G | 96.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L31 T32 I38 G39 | L31-G35 PolarHBondContact O-N 3.15Å; T32-G35 PolarHBondContact O-N 3.43Å; G35-I38 PolarHBondContact O-N 3.2Å; G35-G39 PolarHBondContact O-N 3.49Å |
| 36 | F | 95.8 | Very high | 93.9 | Very high | 138 Ų | 138 | 47 Ų | 47 | 61% | 0.605 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 173.3 | -179.5 | -101.7 | 0 | 0 | 0 | 112.3 | T32 S33 L34 I38 G39 V40 | T32-F36 WeakPolarHBondContact O-CB 3.45Å; T32-F36 PolarHBondContact O-N 3.02Å; S33-F36 WeakPolarHBondContact O-CB 3.44Å; S33-F36 PolarHBondContact O-N 3.18Å; L34-F36 VanDerWaalsContact C-N 3.27Å; L34-F36 PolarHBondContact O-N 3.36Å; F36-I38 VanDerWaalsContact C-N 3.35Å; F36-I38 PolarHBondContact O-N 2.88Å; F36-G39 PolarHBondContact O-N 3.38Å; F36-V40 HydrophobicContact CD1-CG2 4.27Å; F36-V40 HydrophobicContact CD2-CG2 4.28Å; F36-V40 HydrophobicContact CE1-CG2 3.85Å; F36-V40 HydrophobicContact CE2-CG2 3.85Å; F36-V40 HydrophobicContact CG-CG2 4.48Å; F36-V40 HydrophobicContact CZ-CG2 3.62Å; F36-V40 WeakPolarHBondContact O-CG2 3.35Å; F36-V40 PolarHBondContact O-N 3.49Å |
| 37 | I | 95.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.8 | -69.7 | 165.4 | 0 | 0 | 0 | 111 | S33 L34 G41 F81 W333 F336 A337 | S33-I37 VanDerWaalsContact O-CG1 3.29Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 3.3Å; L34-I37 PolarHBondContact O-N 3.44Å; L34-I37 VanDerWaalsContact O-N 3.16Å; I37-G41 WeakPolarHBondContact O-CA 3.34Å; I37-G41 PolarHBondContact O-N 3.11Å; I37-F81 HydrophobicContact CG2-CD2 4.1Å; I37-F81 HydrophobicContact CG2-CE2 3.64Å; I37-F81 HydrophobicContact CG2-CZ 4.4Å; I37-W333 HydrophobicContact CD1-CE3 4.01Å; I37-W333 HydrophobicContact CD1-CZ3 4.36Å; I37-F336 HydrophobicContact CD1-CB 4.27Å; I37-F336 HydrophobicContact CG2-CB 4.43Å; I37-F336 WeakPolarHBondContact CG2-O 3.44Å; I37-A337 HydrophobicContact CD1-CB 4.35Å |
| 38 | I | 96.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 17% | 0.169 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 176.3 | -68.3 | 166.7 | 0 | 0 | 0 | 110.2 | L34 G35 F36 V40 G41 V42 F81 F85 | L34-I38 HydrophobicContact CD1-CD1 4.29Å; L34-I38 HydrophobicContact CD1-CG1 4.34Å; L34-I38 HydrophobicContact CG-CD1 3.97Å; L34-I38 HydrophobicContact CG-CG1 4.45Å; L34-I38 VanDerWaalsContact O-CG1 3.29Å; L34-I38 WeakPolarHBondContact O-CG1 3.11Å; L34-I38 PolarHBondContact O-N 2.97Å; G35-I38 PolarHBondContact O-N 3.2Å; F36-I38 VanDerWaalsContact C-N 3.35Å; F36-I38 PolarHBondContact O-N 2.88Å; I38-V40 PolarHBondContact O-N 3.17Å; I38-G41 PolarHBondContact O-N 3.37Å; I38-V42 HydrophobicContact CG2-CG2 4.33Å; I38-V42 WeakPolarHBondContact O-CB 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.27Å; I38-V42 PolarHBondContact O-N 3.19Å; I38-F81 HydrophobicContact CD1-CB 3.84Å; I38-F81 HydrophobicContact CG1-CB 3.53Å; I38-F81 HydrophobicContact CG1-CD2 3.99Å; I38-F81 HydrophobicContact CG1-CG 4.27Å; I38-F85 HydrophobicContact CD1-CB 4.42Å |
| 39 | G | 95.8 | Very high | 94.6 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.5 | -50.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | G35 F36 V43 | G35-G39 PolarHBondContact O-N 3.49Å; F36-G39 PolarHBondContact O-N 3.38Å; G39-V43 VanDerWaalsContact O-CB 3.22Å; G39-V43 WeakPolarHBondContact O-CB 3.32Å; G39-V43 WeakPolarHBondContact O-CG2 3.34Å; G39-V43 PolarHBondContact O-N 3.12Å |
| 40 | V | 94.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -65.8 | -42.9 | 177.7 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | F36 I38 G44 F344 | F36-V40 HydrophobicContact CD1-CG2 4.27Å; F36-V40 HydrophobicContact CD2-CG2 4.28Å; F36-V40 HydrophobicContact CE1-CG2 3.85Å; F36-V40 HydrophobicContact CE2-CG2 3.85Å; F36-V40 HydrophobicContact CG-CG2 4.48Å; F36-V40 HydrophobicContact CZ-CG2 3.62Å; F36-V40 WeakPolarHBondContact O-CG2 3.35Å; F36-V40 PolarHBondContact O-N 3.49Å; I38-V40 PolarHBondContact O-N 3.17Å; V40-G44 VanDerWaalsContact O-CA 3.22Å; V40-G44 WeakPolarHBondContact O-CA 3.46Å; V40-G44 PolarHBondContact O-N 3.25Å; V40-F344 HydrophobicContact CG1-CE2 3.62Å; V40-F344 HydrophobicContact CG1-CZ 3.88Å |
| 41 | G | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -63 | -41.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I37 I38 N45 | I37-G41 WeakPolarHBondContact O-CA 3.34Å; I37-G41 PolarHBondContact O-N 3.11Å; I38-G41 PolarHBondContact O-N 3.37Å; G41-N45 VanDerWaalsContact O-CB 3.27Å; G41-N45 WeakPolarHBondContact O-CB 3.3Å; G41-N45 PolarHBondContact O-ND2 2.87Å |
| 42 | V | 96.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -79.9 | -58.8 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | I38 G44 L46 A78 | I38-V42 HydrophobicContact CG2-CG2 4.33Å; I38-V42 WeakPolarHBondContact O-CB 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.27Å; I38-V42 PolarHBondContact O-N 3.19Å; V42-G44 PolarHBondContact O-N 3.46Å; V42-L46 HydrophobicContact CG1-CD1 3.66Å; V42-L46 HydrophobicContact CG1-CG 4.48Å; V42-L46 VanDerWaalsContact O-CB 3.25Å; V42-L46 WeakPolarHBondContact O-CB 3.42Å; V42-L46 WeakPolarHBondContact O-CD1 3.33Å; V42-L46 WeakPolarHBondContact O-CG 3.49Å; V42-L46 PolarHBondContact O-N 3.06Å; V42-A78 HydrophobicContact CG2-CB 4.02Å |
| 43 | V | 95.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 38.4 Ų | 38.4 | 61% | 0.606 | 23% | 0.228 | S | C | * | . | I | π-helix | trans | -66.7 | -43.4 | -172.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | G39 L47 | G39-V43 VanDerWaalsContact O-CB 3.22Å; G39-V43 WeakPolarHBondContact O-CB 3.32Å; G39-V43 WeakPolarHBondContact O-CG2 3.34Å; G39-V43 PolarHBondContact O-N 3.12Å; V43-L47 VanDerWaalsContact O-CB 3.25Å; V43-L47 WeakPolarHBondContact O-CB 3.31Å; V43-L47 PolarHBondContact O-N 2.97Å |
| 44 | G | 93.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -65.3 | -48.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V40 V42 L47 I48 | V40-G44 VanDerWaalsContact O-CA 3.22Å; V40-G44 WeakPolarHBondContact O-CA 3.46Å; V40-G44 PolarHBondContact O-N 3.25Å; V42-G44 PolarHBondContact O-N 3.46Å; G44-L47 PolarHBondContact O-N 3.41Å; G44-I48 WeakPolarHBondContact O-CG1 3.49Å; G44-I48 PolarHBondContact O-N 3.23Å; G44-I48 VanDerWaalsContact O-N 3.11Å |
| 45 | N | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 179.2 | -71.6 | -64.7 | 0 | 0 | 0 | 111.9 | G41 L47 I48 S49 C70 I74 A339 | G41-N45 VanDerWaalsContact O-CB 3.27Å; G41-N45 WeakPolarHBondContact O-CB 3.3Å; G41-N45 PolarHBondContact O-ND2 2.87Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 3.44Å; N45-I48 PolarHBondContact O-N 2.83Å; N45-S49 WeakPolarHBondContact O-CB 3.4Å; N45-S49 PolarHBondContact O-N 2.98Å; N45-S49 PolarHBondContact O-OG 3.38Å; N45-C70 HydrophobicContact CB-CB 4.02Å; N45-C70 PolarHBondContact OD1-SG 3.41Å; N45-I74 HydrophobicContact CB-CD1 3.97Å; N45-I74 HydrophobicContact CB-CG1 3.6Å; N45-A339 PolarHBondContact ND2-O 3.15Å |
| 46 | L | 95 | Very high | 92.7 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.6 | -79.2 | 170.9 | 0 | 0 | 0 | 111.8 | V42 I48 S49 I50 I74 | V42-L46 HydrophobicContact CG1-CD1 3.66Å; V42-L46 HydrophobicContact CG1-CG 4.48Å; V42-L46 VanDerWaalsContact O-CB 3.25Å; V42-L46 WeakPolarHBondContact O-CB 3.42Å; V42-L46 WeakPolarHBondContact O-CD1 3.33Å; V42-L46 WeakPolarHBondContact O-CG 3.49Å; V42-L46 PolarHBondContact O-N 3.06Å; L46-I48 PolarHBondContact O-N 3.03Å; L46-S49 PolarHBondContact O-N 3.5Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 3.06Å; L46-I74 HydrophobicContact CB-CD1 4.5Å; L46-I74 HydrophobicContact CD2-CD1 3.72Å; L46-I74 HydrophobicContact CG-CD1 3.83Å; L46-I74 HydrophobicContact CG-CG1 4.28Å |
| 47 | L | 92.3 | Very high | 91.9 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 177 | 172 | 66.3 | 0 | 0 | 0 | 111.6 | V43 G44 N45 I50 L51 F357 | V43-L47 VanDerWaalsContact O-CB 3.25Å; V43-L47 WeakPolarHBondContact O-CB 3.31Å; V43-L47 PolarHBondContact O-N 2.97Å; G44-L47 PolarHBondContact O-N 3.41Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 3.44Å; L47-I50 PolarHBondContact O-N 2.93Å; L47-L51 HydrophobicContact CD1-CD1 4.44Å; L47-L51 HydrophobicContact CG-CD1 4.38Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 2.86Å; L47-F357 HydrophobicContact CD1-CD2 3.99Å; L47-F357 HydrophobicContact CD1-CE2 3.83Å; L47-F357 HydrophobicContact CD2-CD2 3.85Å; L47-F357 HydrophobicContact CD2-CE2 3.26Å; L47-F357 HydrophobicContact CD2-CZ 4.05Å; L47-F357 HydrophobicContact CG-CD2 4.21Å; L47-F357 HydrophobicContact CG-CE2 4Å |
| 48 | I | 92.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 175.8 | -65 | -59.4 | 0 | 0 | 0 | 110.5 | G44 N45 L46 I50 L51 L52 L66 P343 C346 I347 | G44-I48 WeakPolarHBondContact O-CG1 3.49Å; G44-I48 PolarHBondContact O-N 3.23Å; G44-I48 VanDerWaalsContact O-N 3.11Å; N45-I48 PolarHBondContact O-N 2.83Å; L46-I48 PolarHBondContact O-N 3.03Å; I48-I50 VanDerWaalsContact C-N 3.32Å; I48-I50 PolarHBondContact O-N 3.36Å; I48-L51 PolarHBondContact O-N 2.95Å; I48-L51 VanDerWaalsContact O-N 3.13Å; I48-L52 HydrophobicContact CG2-CD1 3.84Å; I48-L52 HydrophobicContact CG2-CG 4.15Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 2.96Å; I48-L66 HydrophobicContact CG2-CD2 4.39Å; I48-P343 HydrophobicContact CG1-CB 4Å; I48-P343 HydrophobicContact CG1-CG 4.34Å; I48-C346 HydrophobicContact CD1-CB 3.83Å; I48-C346 HydrophobicContact CG1-CB 4.47Å; I48-I347 HydrophobicContact CD1-CG1 4.47Å |
| 49 | S | 93.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 51 Ų | 51 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 177.7 | -64 | 0 | 0 | 0 | 0 | 112.4 | N45 L46 L51 L52 V53 C70 | N45-S49 WeakPolarHBondContact O-CB 3.4Å; N45-S49 PolarHBondContact O-N 2.98Å; N45-S49 PolarHBondContact O-OG 3.38Å; L46-S49 PolarHBondContact O-N 3.5Å; S49-L51 PolarHBondContact O-N 3.29Å; S49-L52 PolarHBondContact O-N 3.47Å; S49-V53 WeakPolarHBondContact O-CG2 3.4Å; S49-V53 PolarHBondContact O-N 3.15Å; S49-C70 WeakPolarHBondContact OG-CB 3.38Å |
| 50 | I | 91.2 | Very high | 90.3 | Very high | 89 Ų | 89 | 53.5 Ų | 53.5 | 46% | 0.456 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 177.2 | -69.4 | 164.3 | 0 | 0 | 0 | 111.3 | L46 L47 I48 V53 K54 | L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 3.06Å; L47-I50 PolarHBondContact O-N 2.93Å; I48-I50 VanDerWaalsContact C-N 3.32Å; I48-I50 PolarHBondContact O-N 3.36Å; I50-V53 PolarHBondContact O-N 2.99Å; I50-K54 HydrophobicContact CG2-CD 4.19Å; I50-K54 HydrophobicContact CG2-CG 4.46Å; I50-K54 WeakPolarHBondContact O-CB 3.32Å; I50-K54 PolarHBondContact O-N 3.41Å |
| 51 | L | 89.3 | Confident | 90 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.3 | -69.9 | 171.4 | 0 | 0 | 0 | 111.8 | L47 I48 S49 D55 C356 F357 T360 | L47-L51 HydrophobicContact CD1-CD1 4.44Å; L47-L51 HydrophobicContact CG-CD1 4.38Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 2.86Å; I48-L51 PolarHBondContact O-N 2.95Å; I48-L51 VanDerWaalsContact O-N 3.13Å; S49-L51 PolarHBondContact O-N 3.29Å; L51-D55 PolarHBondContact O-N 3.42Å; L51-D55 VanDerWaalsContact O-N 3.15Å; L51-C356 HydrophobicContact CD2-CB 4.39Å; L51-F357 HydrophobicContact CD1-CB 3.96Å; L51-F357 HydrophobicContact CD1-CD2 4.07Å; L51-F357 HydrophobicContact CD1-CG 4.48Å; L51-T360 HydrophobicContact CD2-CG2 4.4Å; L51-T360 WeakPolarHBondContact CD2-OG1 3.27Å |
| 52 | L | 90.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | -179.9 | -67.6 | 178.4 | 0 | 0 | 0 | 112.5 | I48 S49 L58 H59 Y63 L66 L67 L353 | I48-L52 HydrophobicContact CG2-CD1 3.84Å; I48-L52 HydrophobicContact CG2-CG 4.15Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 2.96Å; S49-L52 PolarHBondContact O-N 3.47Å; L52-L58 HydrophobicContact CD2-CB 4.39Å; L52-L58 HydrophobicContact CD2-CD1 4.14Å; L52-H59 PolarHBondContact O-CD2 3Å; L52-H59 PolarHBondContact O-NE2 3.28Å; L52-Y63 HydrophobicContact CD2-CD1 3.75Å; L52-Y63 HydrophobicContact CD2-CG 4.17Å; L52-L66 HydrophobicContact CD1-CB 4.23Å; L52-L66 HydrophobicContact CD1-CD2 3.89Å; L52-L66 HydrophobicContact CD1-CG 3.93Å; L52-L66 HydrophobicContact CD2-CD2 4.45Å; L52-L67 HydrophobicContact CB-CD1 4.44Å; L52-L67 HydrophobicContact CD1-CB 4.14Å; L52-L67 HydrophobicContact CD1-CD1 4.45Å; L52-L353 HydrophobicContact CD2-CD2 3.82Å |
| 53 | V | 91 | Very high | 89.5 | Confident | 89 Ų | 89 | 51.3 Ų | 51.3 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78.8 | -34.9 | 179.7 | 173 | 0 | 0 | 0 | 0 | 112.1 | S49 I50 L67 | S49-V53 WeakPolarHBondContact O-CG2 3.4Å; S49-V53 PolarHBondContact O-N 3.15Å; I50-V53 PolarHBondContact O-N 2.99Å; V53-L67 HydrophobicContact CG2-CD1 4.11Å; V53-L67 HydrophobicContact CG2-CD2 4.02Å |
| 54 | K | 87.5 | Confident | 89.4 | Confident | 157 Ų | 157 | 49 Ų | 49 | 68% | 0.683 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -74 | -37.7 | -179.5 | -83.9 | -167.4 | 166.2 | -178.8 | 0 | 113 | I50 K56 | I50-K54 HydrophobicContact CG2-CD 4.19Å; I50-K54 HydrophobicContact CG2-CG 4.46Å; I50-K54 WeakPolarHBondContact O-CB 3.32Å; I50-K54 PolarHBondContact O-N 3.41Å; K54-K56 PolarHBondContact O-N 3.05Å |
| 55 | D | 85 | Confident | 89.5 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | trans | -93.1 | 104.9 | -174 | -166.6 | -17.9 | 0 | 0 | 0 | 112.2 | L51 S57 L58 C356 | L51-D55 PolarHBondContact O-N 3.42Å; L51-D55 VanDerWaalsContact O-N 3.15Å; D55-S57 PolarHBondContact O-N 3.4Å; D55-S57 VanDerWaalsContact O-N 3.15Å; D55-S57 VanDerWaalsContact OD1-CB 3.24Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 3.15Å; D55-S57 PolarHBondContact OD1-OG 3.46Å; D55-S57 PolarHBondContact OD2-OG 3.29Å; D55-L58 HydrophobicContact CB-CD1 3.95Å; D55-L58 HydrophobicContact CB-CG 4.17Å; D55-L58 PolarHBondContact O-N 3.22Å; D55-C356 PolarHBondContact OD2-SG 3.48Å | ||
| 56 | K | 83.3 | Confident | 89.5 | Confident | 176 Ų | 176 | 48.5 Ų | 48.5 | 77% | 0.765 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -60.2 | -24.1 | 176.8 | -62 | -175.7 | -178.4 | -178.2 | 0 | 113.2 | K54 L58 H59 | K54-K56 PolarHBondContact O-N 3.05Å; K56-L58 PolarHBondContact O-N 3.02Å; K56-H59 WeakPolarHBondContact O-CB 3.31Å; K56-H59 PolarHBondContact O-N 3.01Å |
| 57 | S | 79.1 | Confident | 89.5 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -68.2 | -22.9 | 177.7 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | D55 | D55-S57 PolarHBondContact O-N 3.4Å; D55-S57 VanDerWaalsContact O-N 3.15Å; D55-S57 VanDerWaalsContact OD1-CB 3.24Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 3.15Å; D55-S57 PolarHBondContact OD1-OG 3.46Å; D55-S57 PolarHBondContact OD2-OG 3.29Å |
| 58 | L | 81.9 | Confident | 89.7 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -92.3 | 2.3 | 177.9 | -60.8 | 174.8 | 0 | 0 | 0 | 112.9 | L52 D55 K56 R60 Y63 E352 L353 | L52-L58 HydrophobicContact CD2-CB 4.39Å; L52-L58 HydrophobicContact CD2-CD1 4.14Å; D55-L58 HydrophobicContact CB-CD1 3.95Å; D55-L58 HydrophobicContact CB-CG 4.17Å; D55-L58 PolarHBondContact O-N 3.22Å; K56-L58 PolarHBondContact O-N 3.02Å; L58-R60 PolarHBondContact O-N 3.01Å; L58-Y63 HydrophobicContact CB-CD2 4.27Å; L58-Y63 HydrophobicContact CB-CE2 4.46Å; L58-Y63 HydrophobicContact CB-CG 4.49Å; L58-Y63 HydrophobicContact CD2-CD2 4.47Å; L58-Y63 HydrophobicContact CD2-CE1 4.27Å; L58-Y63 HydrophobicContact CD2-CE2 3.86Å; L58-Y63 WeakPolarHBondContact O-CB 3.48Å; L58-Y63 WeakPolarHBondContact O-CD2 3.37Å; L58-E352 HydrophobicContact CD2-CB 4.33Å; L58-L353 HydrophobicContact CD1-CD2 3.57Å |
| 59 | H | 85.4 | Confident | 89.9 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 38% | 0.384 | 23% | 0.226 | S | C | . | . | trans | -74.6 | 68.9 | 176.2 | -73.5 | -173.9 | 0 | 0 | 0 | 111.7 | L52 K56 | L52-H59 PolarHBondContact O-CD2 3Å; L52-H59 PolarHBondContact O-NE2 3.28Å; K56-H59 WeakPolarHBondContact O-CB 3.31Å; K56-H59 PolarHBondContact O-N 3.01Å | ||
| 60 | R | 87.1 | Confident | 90.1 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -122.1 | 152.5 | 173.1 | -50.2 | -174.1 | -174.6 | -176.1 | 1.9 | 109.2 | L58 P62 Y63 Y64 | L58-R60 PolarHBondContact O-N 3.01Å; R60-P62 VanDerWaalsContact C-CD 3.42Å; R60-P62 HydrophobicContact CB-CG 4.24Å; R60-P62 VanDerWaalsContact O-N 3.15Å; R60-Y63 HydrophobicContact CB-CD2 3.97Å; R60-Y63 HydrophobicContact CG-CD2 4.39Å; R60-Y63 WeakPolarHBondContact O-CB 3.44Å; R60-Y63 PolarHBondContact O-N 3.42Å; R60-Y64 PolarHBondContact O-N 3.33Å |
| 61 | A | 88.9 | Confident | 90.3 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -41.5 | -49 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y63 Y64 F65 L140 C145 | A61-Y63 PolarHBondContact O-N 2.92Å; A61-Y64 PolarHBondContact O-N 2.82Å; A61-F65 PolarHBondContact O-N 3.18Å; A61-L140 HydrophobicContact CB-CD2 3.16Å; A61-L140 HydrophobicContact CB-CG 3.58Å; A61-C145 WeakPolarHBondContact CB-SG 3.41Å |
| 62 | P | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -35.6 | 178.6 | 17 | -28.9 | 0 | 0 | 0 | 113.3 | R60 F65 L66 Y136 I290 F294 | R60-P62 VanDerWaalsContact C-CD 3.42Å; R60-P62 HydrophobicContact CB-CG 4.24Å; R60-P62 VanDerWaalsContact O-N 3.15Å; P62-F65 PolarHBondContact O-N 2.96Å; P62-L66 PolarHBondContact O-N 2.83Å; P62-L66 VanDerWaalsContact O-N 3.08Å; P62-Y136 WeakPolarHBondContact CD-OH 3.33Å; P62-I290 HydrophobicContact CB-CG2 3.8Å; P62-I290 HydrophobicContact CG-CD1 4.49Å; P62-I290 HydrophobicContact CG-CG2 3.98Å; P62-F294 HydrophobicContact CB-CE2 3.6Å; P62-F294 HydrophobicContact CB-CZ 4.07Å; P62-F294 VanDerWaalsContact O-CZ 3.23Å; P62-F294 WeakPolarHBondContact O-CZ 3.37Å |
| 63 | Y | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.4 | -24.7 | -177.9 | -65.1 | -64.2 | 0 | 0 | 0 | 112.4 | L52 L58 R60 A61 L66 L67 I290 N350 E352 L353 | L52-Y63 HydrophobicContact CD2-CD1 3.75Å; L52-Y63 HydrophobicContact CD2-CG 4.17Å; L58-Y63 HydrophobicContact CB-CD2 4.27Å; L58-Y63 HydrophobicContact CB-CE2 4.46Å; L58-Y63 HydrophobicContact CB-CG 4.49Å; L58-Y63 HydrophobicContact CD2-CD2 4.47Å; L58-Y63 HydrophobicContact CD2-CE1 4.27Å; L58-Y63 HydrophobicContact CD2-CE2 3.86Å; L58-Y63 WeakPolarHBondContact O-CB 3.48Å; L58-Y63 WeakPolarHBondContact O-CD2 3.37Å; R60-Y63 HydrophobicContact CB-CD2 3.97Å; R60-Y63 HydrophobicContact CG-CD2 4.39Å; R60-Y63 WeakPolarHBondContact O-CB 3.44Å; R60-Y63 PolarHBondContact O-N 3.42Å; A61-Y63 PolarHBondContact O-N 2.92Å; Y63-L66 HydrophobicContact CD1-CD2 4.21Å; Y63-L66 PolarHBondContact O-N 3.08Å; Y63-L67 WeakPolarHBondContact O-CB 3.46Å; Y63-L67 PolarHBondContact O-N 3.26Å; Y63-I290 HydrophobicContact CE2-CD1 4.14Å; Y63-N350 PolarHBondContact OH-ND2 3.36Å; Y63-E352 PolarHBondContact OH-OE2 3.1Å; Y63-L353 HydrophobicContact CE1-CD1 4.37Å |
| 64 | Y | 94.6 | Very high | 91.2 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 169.5 | -61.6 | -45.5 | 0 | 0 | 0 | 112 | R60 A61 L66 L67 D68 F142 C145 | R60-Y64 PolarHBondContact O-N 3.33Å; A61-Y64 PolarHBondContact O-N 2.82Å; Y64-L66 VanDerWaalsContact C-N 3.34Å; Y64-L67 WeakPolarHBondContact O-CB 3.44Å; Y64-L67 PolarHBondContact O-N 2.87Å; Y64-D68 PolarHBondContact O-N 3.37Å; Y64-D68 VanDerWaalsContact O-N 3.1Å; Y64-F142 HydrophobicContact CD2-CD2 4.38Å; Y64-F142 HydrophobicContact CE1-CD2 4.36Å; Y64-F142 HydrophobicContact CE1-CE2 4.48Å; Y64-F142 AromaticContact CE2-CD2 3.86Å; Y64-F142 HydrophobicContact CE2-CD2 3.86Å; Y64-F142 AromaticContact CZ-CD2 3.84Å; Y64-C145 HydrophobicContact CD2-CB 4.17Å |
| 65 | F | 95.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68 | -35.3 | 174 | -58 | -32.5 | 0 | 0 | 0 | 112.3 | A61 P62 D68 L69 M118 V122 T125 C145 V148 I149 | A61-F65 PolarHBondContact O-N 3.18Å; P62-F65 PolarHBondContact O-N 2.96Å; F65-D68 PolarHBondContact O-N 3.42Å; F65-L69 WeakPolarHBondContact O-CG 3.39Å; F65-L69 PolarHBondContact O-N 2.95Å; F65-M118 HydrophobicContact CB-CE 3.82Å; F65-M118 HydrophobicContact CD1-CE 3.64Å; F65-M118 HydrophobicContact CE1-CE 4.49Å; F65-M118 HydrophobicContact CG-CE 3.96Å; F65-V122 HydrophobicContact CB-CG2 3.61Å; F65-V122 HydrophobicContact CD2-CG2 3.86Å; F65-V122 HydrophobicContact CG-CG2 4.06Å; F65-T125 HydrophobicContact CE2-CG2 3.97Å; F65-T125 WeakPolarHBondContact CE2-OG1 3.33Å; F65-C145 HydrophobicContact CE1-CB 3.97Å; F65-C145 HydrophobicContact CZ-CB 4.29Å; F65-V148 HydrophobicContact CE1-CB 4.16Å; F65-V148 HydrophobicContact CE1-CG1 3.96Å; F65-V148 HydrophobicContact CZ-CB 4.3Å; F65-V148 HydrophobicContact CZ-CG1 4.04Å; F65-I149 HydrophobicContact CD1-CD1 4.19Å; F65-I149 HydrophobicContact CD1-CG1 4Å; F65-I149 HydrophobicContact CE1-CD1 4.49Å; F65-I149 HydrophobicContact CE1-CG1 4.18Å |
| 66 | L | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 172.3 | -179 | 62.2 | 0 | 0 | 0 | 112.1 | I48 L52 P62 Y63 Y64 D68 L69 C70 M293 F294 M297 | I48-L66 HydrophobicContact CG2-CD2 4.39Å; L52-L66 HydrophobicContact CD1-CB 4.23Å; L52-L66 HydrophobicContact CD1-CD2 3.89Å; L52-L66 HydrophobicContact CD1-CG 3.93Å; L52-L66 HydrophobicContact CD2-CD2 4.45Å; P62-L66 PolarHBondContact O-N 2.83Å; P62-L66 VanDerWaalsContact O-N 3.08Å; Y63-L66 HydrophobicContact CD1-CD2 4.21Å; Y63-L66 PolarHBondContact O-N 3.08Å; Y64-L66 VanDerWaalsContact C-N 3.34Å; L66-D68 VanDerWaalsContact C-N 3.32Å; L66-D68 PolarHBondContact O-N 3.35Å; L66-L69 PolarHBondContact O-N 3.27Å; L66-C70 PolarHBondContact O-N 3.42Å; L66-C70 PolarHBondContact O-SG 2.89Å; L66-M293 HydrophobicContact CD2-CE 4.06Å; L66-F294 HydrophobicContact CB-CE1 4.23Å; L66-F294 HydrophobicContact CB-CZ 4.04Å; L66-F294 HydrophobicContact CD1-CE1 4.47Å; L66-M297 HydrophobicContact CD1-CE 3.58Å; L66-M297 HydrophobicContact CD1-SD 4.04Å |
| 67 | L | 95.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 25% | 0.251 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 177 | -177.9 | 66.3 | 0 | 0 | 0 | 111.3 | L52 V53 Y63 Y64 C70 A71 | L52-L67 HydrophobicContact CB-CD1 4.44Å; L52-L67 HydrophobicContact CD1-CB 4.14Å; L52-L67 HydrophobicContact CD1-CD1 4.45Å; V53-L67 HydrophobicContact CG2-CD1 4.11Å; V53-L67 HydrophobicContact CG2-CD2 4.02Å; Y63-L67 WeakPolarHBondContact O-CB 3.46Å; Y63-L67 PolarHBondContact O-N 3.26Å; Y64-L67 WeakPolarHBondContact O-CB 3.44Å; Y64-L67 PolarHBondContact O-N 2.87Å; L67-C70 PolarHBondContact O-N 2.86Å; L67-A71 PolarHBondContact O-N 3.46Å |
| 68 | D | 96.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 23.6 Ų | 23.6 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 175.9 | 176.1 | 82.2 | 0 | 0 | 0 | 112.6 | Y64 F65 L66 C70 A71 S72 H114 M118 I149 W153 | Y64-D68 PolarHBondContact O-N 3.37Å; Y64-D68 VanDerWaalsContact O-N 3.1Å; F65-D68 PolarHBondContact O-N 3.42Å; L66-D68 VanDerWaalsContact C-N 3.32Å; L66-D68 PolarHBondContact O-N 3.35Å; D68-C70 VanDerWaalsContact C-N 3.35Å; D68-C70 PolarHBondContact O-N 3.32Å; D68-A71 WeakPolarHBondContact O-CB 3.5Å; D68-A71 PolarHBondContact O-N 3Å; D68-S72 PolarHBondContact O-N 3.46Å; D68-H114 IonicContact OD1-CE1 3.87Å; D68-H114 IonicContact OD1-NE2 3.69Å; D68-H114 IonicContact OD2-CD2 3.91Å; D68-H114 IonicContact OD2-CE1 3.23Å; D68-H114 PolarHBondContact OD2-CE1 3.32Å; D68-H114 VanDerWaalsContact OD2-CE1 3.23Å; D68-H114 IonicContact OD2-NE2 2.68Å; D68-H114 PolarHBondContact OD2-NE2 2.75Å; D68-M118 HydrophobicContact CB-CE 4.44Å; D68-M118 WeakPolarHBondContact OD2-CG 3.4Å; D68-I149 HydrophobicContact CB-CD1 4.13Å; D68-I149 HydrophobicContact CB-CG1 4.31Å; D68-I149 HydrophobicContact CB-CG2 4.47Å; D68-I149 WeakPolarHBondContact OD1-CG2 3.35Å; D68-W153 PolarHBondContact OD1-NE1 3.46Å |
| 69 | L | 95.9 | Very high | 94 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 171.1 | -76.2 | 169.5 | 0 | 0 | 0 | 111.6 | F65 L66 A71 S72 D73 T115 M118 L119 M297 | F65-L69 WeakPolarHBondContact O-CG 3.39Å; F65-L69 PolarHBondContact O-N 2.95Å; L66-L69 PolarHBondContact O-N 3.27Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.43Å; L69-S72 PolarHBondContact O-N 3.01Å; L69-D73 PolarHBondContact O-N 2.72Å; L69-T115 HydrophobicContact CD2-CG2 4.06Å; L69-M118 HydrophobicContact CD2-CB 3.86Å; L69-M118 HydrophobicContact CG-CB 4.4Å; L69-L119 HydrophobicContact CD1-CD2 4.25Å; L69-M297 HydrophobicContact CD1-CE 4.29Å |
| 70 | C | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 175.5 | -73.9 | 0 | 0 | 0 | 0 | 112 | N45 S49 L66 L67 D68 D73 I74 | N45-C70 HydrophobicContact CB-CB 4.02Å; N45-C70 PolarHBondContact OD1-SG 3.41Å; S49-C70 WeakPolarHBondContact OG-CB 3.38Å; L66-C70 PolarHBondContact O-N 3.42Å; L66-C70 PolarHBondContact O-SG 2.89Å; L67-C70 PolarHBondContact O-N 2.86Å; D68-C70 VanDerWaalsContact C-N 3.35Å; D68-C70 PolarHBondContact O-N 3.32Å; C70-D73 PolarHBondContact O-N 3.17Å; C70-I74 WeakPolarHBondContact O-CD1 3.41Å; C70-I74 WeakPolarHBondContact O-CG1 3.43Å; C70-I74 PolarHBondContact O-N 3.48Å |
| 71 | A | 96.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 19.3 Ų | 19.3 | 39% | 0.388 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L67 D68 L69 I74 L75 | L67-A71 PolarHBondContact O-N 3.46Å; D68-A71 WeakPolarHBondContact O-CB 3.5Å; D68-A71 PolarHBondContact O-N 3Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.43Å; A71-I74 PolarHBondContact O-N 3.48Å; A71-L75 WeakPolarHBondContact O-CB 3.49Å; A71-L75 PolarHBondContact O-N 3.05Å |
| 72 | S | 96.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.6 | -164.3 | 0 | 0 | 0 | 0 | 112.4 | D68 L69 L75 R76 H114 | D68-S72 PolarHBondContact O-N 3.46Å; L69-S72 PolarHBondContact O-N 3.01Å; S72-L75 WeakPolarHBondContact O-CB 3.45Å; S72-L75 PolarHBondContact O-N 3.29Å; S72-R76 PolarHBondContact O-N 3.44Å; S72-H114 PolarHBondContact OG-CD2 3.43Å |
| 73 | D | 96.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.5 | -34.3 | 175.8 | -81.9 | -42.5 | 0 | 0 | 0 | 113 | L69 C70 R76 S77 N342 | L69-D73 PolarHBondContact O-N 2.72Å; C70-D73 PolarHBondContact O-N 3.17Å; D73-R76 PolarHBondContact O-N 3.09Å; D73-R76 IonicContact OD1-CZ 3.69Å; D73-R76 IonicContact OD1-NE 3.7Å; D73-R76 IonicContact OD1-NH2 2.79Å; D73-R76 PolarHBondContact OD1-NH2 2.91Å; D73-S77 VanDerWaalsContact O-CB 3.24Å; D73-S77 WeakPolarHBondContact O-CB 3.49Å; D73-S77 PolarHBondContact O-N 3.32Å; D73-S77 PolarHBondContact O-OG 3.06Å; D73-N342 PolarHBondContact OD2-ND2 2.94Å |
| 74 | I | 96.8 | Very high | 95.2 | Very high | 31 Ų | 31 | 23.8 Ų | 23.8 | 16% | 0.159 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 170.8 | -68.5 | 159.1 | 0 | 0 | 0 | 109.8 | N45 L46 C70 A71 R76 S77 A78 | N45-I74 HydrophobicContact CB-CD1 3.97Å; N45-I74 HydrophobicContact CB-CG1 3.6Å; L46-I74 HydrophobicContact CB-CD1 4.5Å; L46-I74 HydrophobicContact CD2-CD1 3.72Å; L46-I74 HydrophobicContact CG-CD1 3.83Å; L46-I74 HydrophobicContact CG-CG1 4.28Å; C70-I74 WeakPolarHBondContact O-CD1 3.41Å; C70-I74 WeakPolarHBondContact O-CG1 3.43Å; C70-I74 PolarHBondContact O-N 3.48Å; A71-I74 PolarHBondContact O-N 3.48Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 2.81Å; I74-S77 PolarHBondContact O-N 2.92Å; I74-A78 HydrophobicContact CG2-CB 4.49Å; I74-A78 WeakPolarHBondContact O-CB 3.35Å; I74-A78 PolarHBondContact O-N 3.01Å |
| 75 | L | 95.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 24.5 Ų | 24.5 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.8 | -50.1 | 177 | 173.8 | 67.3 | 0 | 0 | 0 | 110.8 | A71 S72 I79 W153 | A71-L75 WeakPolarHBondContact O-CB 3.49Å; A71-L75 PolarHBondContact O-N 3.05Å; S72-L75 WeakPolarHBondContact O-CB 3.45Å; S72-L75 PolarHBondContact O-N 3.29Å; L75-I79 HydrophobicContact CD1-CD1 3.46Å; L75-I79 VanDerWaalsContact CD1-CD1 3.46Å; L75-I79 HydrophobicContact CD1-CG1 4.12Å; L75-I79 VanDerWaalsContact O-CB 3.25Å; L75-I79 WeakPolarHBondContact O-CB 3.33Å; L75-I79 WeakPolarHBondContact O-CG1 3.34Å; L75-I79 PolarHBondContact O-N 3.25Å; L75-W153 HydrophobicContact CD2-CH2 4.17Å |
| 76 | R | 95.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -65.1 | -43.1 | 178.4 | -173.9 | 170.8 | 57.8 | 111.5 | -1.8 | 112.7 | S72 D73 I74 C80 F81 S335 A339 | S72-R76 PolarHBondContact O-N 3.44Å; D73-R76 PolarHBondContact O-N 3.09Å; D73-R76 IonicContact OD1-CZ 3.69Å; D73-R76 IonicContact OD1-NE 3.7Å; D73-R76 IonicContact OD1-NH2 2.79Å; D73-R76 PolarHBondContact OD1-NH2 2.91Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 2.81Å; R76-C80 HydrophobicContact CG-CB 4.23Å; R76-C80 WeakPolarHBondContact O-CA 3.35Å; R76-C80 VanDerWaalsContact O-CB 3.3Å; R76-C80 WeakPolarHBondContact O-CB 3.39Å; R76-C80 PolarHBondContact O-N 2.94Å; R76-F81 HydrophobicContact CG-CD1 4.46Å; R76-F81 HydrophobicContact CG-CE1 3.95Å; R76-F81 HydrophobicContact CG-CZ 4.12Å; R76-F81 VanDerWaalsContact NH1-CZ 3.28Å; R76-F81 PolarHBondContact O-N 2.93Å; R76-F81 VanDerWaalsContact O-N 3.14Å; R76-S335 PolarHBondContact NH1-O 3.01Å; R76-S335 VanDerWaalsContact NH1-O 3.08Å; R76-A339 VanDerWaalsContact NH2-N 3.13Å |
| 77 | S | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -73.5 | -34.8 | -176.1 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | D73 I74 P82 A339 | D73-S77 VanDerWaalsContact O-CB 3.24Å; D73-S77 WeakPolarHBondContact O-CB 3.49Å; D73-S77 PolarHBondContact O-N 3.32Å; D73-S77 PolarHBondContact O-OG 3.06Å; I74-S77 PolarHBondContact O-N 2.92Å; S77-P82 WeakPolarHBondContact O-CD 3.45Å; S77-A339 WeakPolarHBondContact OG-CB 3.3Å |
| 78 | A | 95.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 24.3 Ų | 24.3 | 41% | 0.405 | 14% | 0.141 | S | C | . | . | I | π-helix | trans | -88.1 | -26.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V42 I74 P82 | V42-A78 HydrophobicContact CG2-CB 4.02Å; I74-A78 HydrophobicContact CG2-CB 4.49Å; I74-A78 WeakPolarHBondContact O-CB 3.35Å; I74-A78 PolarHBondContact O-N 3.01Å; A78-P82 WeakPolarHBondContact O-CG 3.43Å |
| 79 | I | 94.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 30.4 Ų | 30.4 | 35% | 0.354 | 17% | 0.166 | S | C | . | . | I | π-helix | trans | -107.4 | -56.6 | -178.2 | -51.8 | -167 | 0 | 0 | 0 | 111.6 | L75 P82 F83 I104 L107 | L75-I79 HydrophobicContact CD1-CD1 3.46Å; L75-I79 VanDerWaalsContact CD1-CD1 3.46Å; L75-I79 HydrophobicContact CD1-CG1 4.12Å; L75-I79 VanDerWaalsContact O-CB 3.25Å; L75-I79 WeakPolarHBondContact O-CB 3.33Å; L75-I79 WeakPolarHBondContact O-CG1 3.34Å; L75-I79 PolarHBondContact O-N 3.25Å; I79-P82 WeakPolarHBondContact O-CD 3.31Å; I79-F83 WeakPolarHBondContact O-CD2 3.46Å; I79-F83 WeakPolarHBondContact O-CE2 3.43Å; I79-I104 HydrophobicContact CG2-CD1 3.85Å; I79-L107 HydrophobicContact CG2-CD1 4.08Å |
| 80 | C | 93.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -74.9 | -46 | -170.3 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | R76 F83 V84 I104 | R76-C80 HydrophobicContact CG-CB 4.23Å; R76-C80 WeakPolarHBondContact O-CA 3.35Å; R76-C80 VanDerWaalsContact O-CB 3.3Å; R76-C80 WeakPolarHBondContact O-CB 3.39Å; R76-C80 PolarHBondContact O-N 2.94Å; C80-F83 PolarHBondContact O-N 3.38Å; C80-F83 VanDerWaalsContact O-N 3.16Å; C80-V84 PolarHBondContact O-N 3.15Å; C80-I104 HydrophobicContact CB-CG2 4.31Å |
| 81 | F | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -33.9 | -175.9 | -67.9 | -13.1 | 0 | 0 | 0 | 115.2 | L34 I37 I38 R76 F83 V84 F85 F336 A339 | L34-F81 HydrophobicContact CD1-CB 4.13Å; L34-F81 HydrophobicContact CD1-CG 4.26Å; I37-F81 HydrophobicContact CG2-CD2 4.1Å; I37-F81 HydrophobicContact CG2-CE2 3.64Å; I37-F81 HydrophobicContact CG2-CZ 4.4Å; I38-F81 HydrophobicContact CD1-CB 3.84Å; I38-F81 HydrophobicContact CG1-CB 3.53Å; I38-F81 HydrophobicContact CG1-CD2 3.99Å; I38-F81 HydrophobicContact CG1-CG 4.27Å; R76-F81 HydrophobicContact CG-CD1 4.46Å; R76-F81 HydrophobicContact CG-CE1 3.95Å; R76-F81 HydrophobicContact CG-CZ 4.12Å; R76-F81 VanDerWaalsContact NH1-CZ 3.28Å; R76-F81 PolarHBondContact O-N 2.93Å; R76-F81 VanDerWaalsContact O-N 3.14Å; F81-F83 VanDerWaalsContact C-N 3.26Å; F81-F83 PolarHBondContact O-N 3.18Å; F81-V84 WeakPolarHBondContact O-CB 3.42Å; F81-V84 PolarHBondContact O-N 3.32Å; F81-V84 VanDerWaalsContact O-N 3.15Å; F81-F85 PolarHBondContact O-N 3.47Å; F81-F336 HydrophobicContact CD1-CD1 4.35Å; F81-F336 HydrophobicContact CD1-CG 4.47Å; F81-F336 HydrophobicContact CE1-CB 4.02Å; F81-F336 AromaticContact CE1-CD1 3.51Å; F81-F336 HydrophobicContact CE1-CD1 3.51Å; F81-F336 HydrophobicContact CE1-CE1 4.1Å; F81-F336 AromaticContact CE1-CG 3.8Å; F81-F336 HydrophobicContact CE1-CG 3.8Å; F81-F336 HydrophobicContact CZ-CB 3.83Å; F81-F336 HydrophobicContact CZ-CD1 4.1Å; F81-F336 HydrophobicContact CZ-CG 4.14Å; F81-A339 HydrophobicContact CE2-CB 3.7Å; F81-A339 HydrophobicContact CZ-CB 4.07Å |
| 82 | P | 94.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.9 | -32.7 | 171.6 | -31 | 38.6 | 0 | 0 | 0 | 114.3 | S77 A78 I79 F85 T86 | S77-P82 WeakPolarHBondContact O-CD 3.45Å; A78-P82 WeakPolarHBondContact O-CG 3.43Å; I79-P82 WeakPolarHBondContact O-CD 3.31Å; P82-F85 WeakPolarHBondContact O-CB 3.27Å; P82-F85 PolarHBondContact O-N 3.33Å; P82-T86 PolarHBondContact O-N 3.31Å; P82-T86 PolarHBondContact O-OG1 3.39Å |
| 83 | F | 91.8 | Very high | 90.9 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 24% | 0.237 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.7 | -36.9 | 174.5 | -72.8 | -93 | 0 | 0 | 0 | 112 | I79 C80 F81 F85 T86 S87 Y96 T100 I104 | I79-F83 WeakPolarHBondContact O-CD2 3.46Å; I79-F83 WeakPolarHBondContact O-CE2 3.43Å; C80-F83 PolarHBondContact O-N 3.38Å; C80-F83 VanDerWaalsContact O-N 3.16Å; F81-F83 VanDerWaalsContact C-N 3.26Å; F81-F83 PolarHBondContact O-N 3.18Å; F83-F85 VanDerWaalsContact C-N 3.31Å; F83-T86 PolarHBondContact O-OG1 3.07Å; F83-T86 VanDerWaalsContact O-OG1 3.07Å; F83-S87 WeakPolarHBondContact O-CB 3.08Å; F83-S87 PolarHBondContact O-N 3.21Å; F83-Y96 HydrophobicContact CD1-CD1 4.27Å; F83-Y96 AromaticContact CD1-CD2 3.61Å; F83-Y96 HydrophobicContact CD1-CD2 3.61Å; F83-Y96 HydrophobicContact CD1-CE1 4.15Å; F83-Y96 AromaticContact CD1-CE2 3.47Å; F83-Y96 HydrophobicContact CD1-CE2 3.47Å; F83-Y96 VanDerWaalsContact CD1-CE2 3.47Å; F83-Y96 HydrophobicContact CD1-CG 4.01Å; F83-Y96 AromaticContact CD1-CZ 3.75Å; F83-Y96 AromaticContact CE1-CD1 3.88Å; F83-Y96 HydrophobicContact CE1-CD1 3.88Å; F83-Y96 HydrophobicContact CE1-CD2 4.07Å; F83-Y96 AromaticContact CE1-CE1 3.8Å; F83-Y96 HydrophobicContact CE1-CE1 3.8Å; F83-Y96 AromaticContact CE1-CE2 3.99Å; F83-Y96 HydrophobicContact CE1-CE2 3.99Å; F83-Y96 HydrophobicContact CE1-CG 4.01Å; F83-Y96 AromaticContact CE1-CZ 3.84Å; F83-Y96 HydrophobicContact CG-CE2 4.4Å; F83-T100 HydrophobicContact CD1-CG2 4.13Å; F83-T100 HydrophobicContact CE1-CG2 3.33Å; F83-T100 HydrophobicContact CZ-CG2 3.83Å; F83-I104 HydrophobicContact CB-CG2 4.32Å; F83-I104 HydrophobicContact CD1-CG1 4.11Å; F83-I104 HydrophobicContact CD2-CD1 3.39Å; F83-I104 HydrophobicContact CD2-CG1 3.71Å; F83-I104 HydrophobicContact CE1-CG1 4.28Å; F83-I104 HydrophobicContact CE2-CD1 3.34Å; F83-I104 HydrophobicContact CE2-CG1 3.89Å; F83-I104 HydrophobicContact CG-CD1 4.06Å; F83-I104 HydrophobicContact CG-CG1 3.84Å; F83-I104 HydrophobicContact CZ-CD1 3.98Å; F83-I104 HydrophobicContact CZ-CG1 4.17Å |
| 84 | V | 91.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 171.7 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | L34 C80 F81 T86 S87 V88 D177 Q178 F336 | L34-V84 HydrophobicContact CD2-CB 4.12Å; L34-V84 HydrophobicContact CD2-CG1 3.95Å; C80-V84 PolarHBondContact O-N 3.15Å; F81-V84 WeakPolarHBondContact O-CB 3.42Å; F81-V84 PolarHBondContact O-N 3.32Å; F81-V84 VanDerWaalsContact O-N 3.15Å; V84-T86 PolarHBondContact O-N 2.94Å; V84-S87 WeakPolarHBondContact O-CB 3.09Å; V84-S87 PolarHBondContact O-N 3.41Å; V84-V88 HydrophobicContact CG1-CG2 4.44Å; V84-V88 WeakPolarHBondContact O-CG2 3.47Å; V84-V88 PolarHBondContact O-N 2.88Å; V84-D177 HydrophobicContact CG1-CB 4.29Å; V84-Q178 HydrophobicContact CG2-CB 3.85Å; V84-F336 HydrophobicContact CG1-CE2 3.89Å; V84-F336 HydrophobicContact CG1-CZ 4.3Å; V84-F336 HydrophobicContact CG2-CZ 4.27Å |
| 85 | F | 92.6 | Very high | 88.7 | Confident | 68 Ų | 68 | 45.4 Ų | 45.4 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 179.7 | -174.1 | -83.7 | 0 | 0 | 0 | 112.2 | L31 L34 I38 F81 P82 F83 S87 V88 K89 | L31-F85 HydrophobicContact CB-CE2 4.21Å; L31-F85 HydrophobicContact CD2-CD1 4.38Å; L31-F85 HydrophobicContact CD2-CD2 3.99Å; L31-F85 HydrophobicContact CD2-CE1 4.22Å; L31-F85 HydrophobicContact CD2-CE2 3.81Å; L31-F85 HydrophobicContact CD2-CG 4.26Å; L31-F85 HydrophobicContact CD2-CZ 3.93Å; L34-F85 HydrophobicContact CB-CD2 4.45Å; L34-F85 HydrophobicContact CD2-CB 3.56Å; L34-F85 HydrophobicContact CD2-CD2 3.96Å; L34-F85 HydrophobicContact CD2-CG 4.24Å; L34-F85 HydrophobicContact CG-CB 4.44Å; L34-F85 HydrophobicContact CG-CD2 4.26Å; I38-F85 HydrophobicContact CD1-CB 4.42Å; F81-F85 PolarHBondContact O-N 3.47Å; P82-F85 WeakPolarHBondContact O-CB 3.27Å; P82-F85 PolarHBondContact O-N 3.33Å; F83-F85 VanDerWaalsContact C-N 3.31Å; F85-S87 VanDerWaalsContact C-N 3.34Å; F85-V88 PolarHBondContact O-N 3.38Å; F85-K89 WeakPolarHBondContact O-CB 3.5Å; F85-K89 PolarHBondContact O-N 3.47Å |
| 86 | T | 90.7 | Very high | 87.9 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.4 | -33.8 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 112 | P82 F83 V84 K89 N90 Y96 | P82-T86 PolarHBondContact O-N 3.31Å; P82-T86 PolarHBondContact O-OG1 3.39Å; F83-T86 PolarHBondContact O-OG1 3.07Å; F83-T86 VanDerWaalsContact O-OG1 3.07Å; V84-T86 PolarHBondContact O-N 2.94Å; T86-K89 PolarHBondContact O-N 2.91Å; T86-N90 WeakPolarHBondContact O-CB 3.42Å; T86-N90 PolarHBondContact O-N 2.98Å; T86-Y96 WeakPolarHBondContact CB-OH 3.32Å; T86-Y96 WeakPolarHBondContact CG2-OH 3.34Å; T86-Y96 VanDerWaalsContact OG1-CE2 3.23Å; T86-Y96 WeakPolarHBondContact OG1-CE2 3.35Å; T86-Y96 PolarHBondContact OG1-OH 3.43Å |
| 87 | S | 88.8 | Confident | 87.4 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 172.9 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | F83 V84 F85 K89 N90 G91 S92 F172 | F83-S87 WeakPolarHBondContact O-CB 3.08Å; F83-S87 PolarHBondContact O-N 3.21Å; V84-S87 WeakPolarHBondContact O-CB 3.09Å; V84-S87 PolarHBondContact O-N 3.41Å; F85-S87 VanDerWaalsContact C-N 3.34Å; S87-K89 VanDerWaalsContact C-N 3.32Å; S87-K89 PolarHBondContact O-N 3.39Å; S87-N90 PolarHBondContact O-N 2.92Å; S87-G91 PolarHBondContact O-N 3.38Å; S87-S92 WeakPolarHBondContact O-CA 3.38Å; S87-S92 PolarHBondContact O-N 2.84Å; S87-F172 WeakPolarHBondContact OG-CE2 3.27Å; S87-F172 WeakPolarHBondContact OG-CZ 3.45Å |
| 88 | V | 88.8 | Confident | 86.8 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | T27 K30 L31 V84 F85 N90 G91 D177 | T27-V88 HydrophobicContact CG2-CG1 4.12Å; K30-V88 HydrophobicContact CB-CG1 3.83Å; K30-V88 HydrophobicContact CD-CG1 4.19Å; L31-V88 HydrophobicContact CD2-CB 3.93Å; L31-V88 HydrophobicContact CD2-CG1 3.7Å; L31-V88 HydrophobicContact CG-CG1 3.86Å; V84-V88 HydrophobicContact CG1-CG2 4.44Å; V84-V88 WeakPolarHBondContact O-CG2 3.47Å; V84-V88 PolarHBondContact O-N 2.88Å; F85-V88 PolarHBondContact O-N 3.38Å; V88-N90 VanDerWaalsContact C-N 3.28Å; V88-N90 PolarHBondContact O-N 3.04Å; V88-G91 PolarHBondContact O-N 3.03Å; V88-D177 HydrophobicContact CG2-CB 3.64Å |
| 89 | K | 88.1 | Confident | 86.4 | Confident | 145 Ų | 145 | 59.5 Ų | 59.5 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | 179 | -174.9 | -176 | 175.7 | -174.5 | 0 | 112.3 | L31 F85 T86 S87 G91 | L31-K89 HydrophobicContact CD2-CB 4.27Å; F85-K89 WeakPolarHBondContact O-CB 3.5Å; F85-K89 PolarHBondContact O-N 3.47Å; T86-K89 PolarHBondContact O-N 2.91Å; S87-K89 VanDerWaalsContact C-N 3.32Å; S87-K89 PolarHBondContact O-N 3.39Å; K89-G91 VanDerWaalsContact C-N 3.31Å; K89-G91 PolarHBondContact O-N 3.36Å |
| 90 | N | 86.1 | Confident | 86.1 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 16.8 | -177 | -65.9 | -13.6 | 0 | 0 | 0 | 113.4 | T86 S87 V88 T95 | T86-N90 WeakPolarHBondContact O-CB 3.42Å; T86-N90 PolarHBondContact O-N 2.98Å; S87-N90 PolarHBondContact O-N 2.92Å; V88-N90 VanDerWaalsContact C-N 3.28Å; V88-N90 PolarHBondContact O-N 3.04Å; N90-T95 WeakPolarHBondContact ND2-CG2 3.46Å; N90-T95 PolarHBondContact ND2-OG1 2.93Å |
| 91 | G | 80.8 | Confident | 85.8 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S87 V88 K89 V93 | S87-G91 PolarHBondContact O-N 3.38Å; V88-G91 PolarHBondContact O-N 3.03Å; K89-G91 VanDerWaalsContact C-N 3.31Å; K89-G91 PolarHBondContact O-N 3.36Å; G91-V93 VanDerWaalsContact C-N 3.25Å; G91-V93 PolarHBondContact O-N 3.5Å |
| 92 | S | 79.8 | Confident | 85.5 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 62.6 | 31.2 | 175.8 | -43.8 | 0 | 0 | 0 | 0 | 113.1 | S87 F172 D177 | S87-S92 WeakPolarHBondContact O-CA 3.38Å; S87-S92 PolarHBondContact O-N 2.84Å; S92-F172 WeakPolarHBondContact O-CE1 3.45Å; S92-F172 WeakPolarHBondContact O-CZ 3.42Å; S92-D177 VanDerWaalsContact CB-OD1 3.26Å; S92-D177 WeakPolarHBondContact CB-OD1 3.42Å; S92-D177 PolarHBondContact OG-OD1 3.01Å |
| 93 | V | 76.5 | Confident | 85.4 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | trans | -99.6 | 141.1 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | G91 T95 | G91-V93 VanDerWaalsContact C-N 3.25Å; G91-V93 PolarHBondContact O-N 3.5Å; V93-T95 PolarHBondContact O-N 3.46Å; V93-T95 PolarHBondContact O-OG1 3.46Å | ||
| 94 | L | 75.3 | Confident | 85.4 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | trans | -61.5 | 102.9 | 172.6 | 179 | 62.6 | 0 | 0 | 0 | 109.6 | Y96 C101 F172 | L94-Y96 WeakPolarHBondContact CG-O 3.33Å; L94-C101 HydrophobicContact CD1-CB 4.13Å; L94-F172 HydrophobicContact CB-CB 4.47Å; L94-F172 HydrophobicContact CB-CD1 4.1Å; L94-F172 HydrophobicContact CB-CG 4.23Å; L94-F172 HydrophobicContact CD1-CB 4.1Å; L94-F172 HydrophobicContact CD1-CD2 4.44Å; L94-F172 HydrophobicContact CD1-CG 4.23Å | ||
| 95 | T | 71.6 | Confident | 85.3 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | trans | -88.1 | -23.1 | -178.3 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | N90 V93 | N90-T95 WeakPolarHBondContact ND2-CG2 3.46Å; N90-T95 PolarHBondContact ND2-OG1 2.93Å; V93-T95 PolarHBondContact O-N 3.46Å; V93-T95 PolarHBondContact O-OG1 3.46Å | ||
| 96 | Y | 79.2 | Confident | 85.2 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 37% | 0.365 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -106.2 | 166.1 | -173.3 | -60.8 | -84.5 | 0 | 0 | 0 | 112.7 | F83 T86 L94 T100 | F83-Y96 HydrophobicContact CD1-CD1 4.27Å; F83-Y96 AromaticContact CD1-CD2 3.61Å; F83-Y96 HydrophobicContact CD1-CD2 3.61Å; F83-Y96 HydrophobicContact CD1-CE1 4.15Å; F83-Y96 AromaticContact CD1-CE2 3.47Å; F83-Y96 HydrophobicContact CD1-CE2 3.47Å; F83-Y96 VanDerWaalsContact CD1-CE2 3.47Å; F83-Y96 HydrophobicContact CD1-CG 4.01Å; F83-Y96 AromaticContact CD1-CZ 3.75Å; F83-Y96 AromaticContact CE1-CD1 3.88Å; F83-Y96 HydrophobicContact CE1-CD1 3.88Å; F83-Y96 HydrophobicContact CE1-CD2 4.07Å; F83-Y96 AromaticContact CE1-CE1 3.8Å; F83-Y96 HydrophobicContact CE1-CE1 3.8Å; F83-Y96 AromaticContact CE1-CE2 3.99Å; F83-Y96 HydrophobicContact CE1-CE2 3.99Å; F83-Y96 HydrophobicContact CE1-CG 4.01Å; F83-Y96 AromaticContact CE1-CZ 3.84Å; F83-Y96 HydrophobicContact CG-CE2 4.4Å; T86-Y96 WeakPolarHBondContact CB-OH 3.32Å; T86-Y96 WeakPolarHBondContact CG2-OH 3.34Å; T86-Y96 VanDerWaalsContact OG1-CE2 3.23Å; T86-Y96 WeakPolarHBondContact OG1-CE2 3.35Å; T86-Y96 PolarHBondContact OG1-OH 3.43Å; L94-Y96 WeakPolarHBondContact CG-O 3.33Å; Y96-T100 HydrophobicContact CG-CG2 4.47Å |
| 97 | S | 85.2 | Confident | 85.4 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 54% | 0.538 | 33% | 0.329 | S | S | . | . | trans | -56.4 | 148.3 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | L99 T100 C101 | S97-L99 PolarHBondContact O-N 3.48Å; S97-L99 PolarHBondContact OG-N 3.15Å; S97-T100 WeakPolarHBondContact O-CB 3.25Å; S97-T100 PolarHBondContact O-N 3.27Å; S97-C101 PolarHBondContact O-N 3.48Å; S97-C101 VanDerWaalsContact O-N 3.1Å | ||
| 98 | I | 83.8 | Confident | 85.5 | Confident | 115 Ų | 115 | 60.2 Ų | 60.2 | 59% | 0.59 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.2 | -37.4 | 174.9 | -65 | 161.4 | 0 | 0 | 0 | 110.9 | C101 K102 | I98-C101 WeakPolarHBondContact O-CB 3.39Å; I98-C101 PolarHBondContact O-N 2.91Å; I98-K102 WeakPolarHBondContact O-CG 3.46Å; I98-K102 PolarHBondContact O-N 3.2Å |
| 99 | L | 86.3 | Confident | 85.6 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 63% | 0.628 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.6 | -46.2 | 177.5 | 179.6 | 62.6 | 0 | 0 | 0 | 111.5 | S97 C101 K102 V103 | S97-L99 PolarHBondContact O-N 3.48Å; S97-L99 PolarHBondContact OG-N 3.15Å; L99-C101 VanDerWaalsContact C-N 3.31Å; L99-C101 PolarHBondContact O-N 3Å; L99-K102 PolarHBondContact O-N 3.02Å; L99-V103 WeakPolarHBondContact O-CG2 3.49Å; L99-V103 PolarHBondContact O-N 2.89Å |
| 100 | T | 88.3 | Confident | 85.9 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.2 | -49.9 | 0 | 0 | 0 | 0 | 111 | F83 Y96 S97 K102 V103 I104 | F83-T100 HydrophobicContact CD1-CG2 4.13Å; F83-T100 HydrophobicContact CE1-CG2 3.33Å; F83-T100 HydrophobicContact CZ-CG2 3.83Å; Y96-T100 HydrophobicContact CG-CG2 4.47Å; S97-T100 WeakPolarHBondContact O-CB 3.25Å; S97-T100 PolarHBondContact O-N 3.27Å; T100-K102 PolarHBondContact O-N 3.34Å; T100-V103 PolarHBondContact O-N 3.44Å; T100-I104 HydrophobicContact CG2-CG1 4.45Å; T100-I104 VanDerWaalsContact O-CG1 3.3Å; T100-I104 WeakPolarHBondContact O-CG1 3.44Å; T100-I104 PolarHBondContact O-N 3.4Å |
| 101 | C | 88.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | L94 S97 I98 L99 I104 A105 C179 | L94-C101 HydrophobicContact CD1-CB 4.13Å; S97-C101 PolarHBondContact O-N 3.48Å; S97-C101 VanDerWaalsContact O-N 3.1Å; I98-C101 WeakPolarHBondContact O-CB 3.39Å; I98-C101 PolarHBondContact O-N 2.91Å; L99-C101 VanDerWaalsContact C-N 3.31Å; L99-C101 PolarHBondContact O-N 3Å; C101-I104 PolarHBondContact O-N 3Å; C101-A105 WeakPolarHBondContact O-CB 3.45Å; C101-A105 PolarHBondContact O-N 2.95Å; C101-C179 WeakPolarHBondContact CA-SG 3.41Å; C101-C179 HydrophobicContact CB-CB 4.09Å; C101-C179 WeakPolarHBondContact CB-SG 3.3Å; C101-C179 VanDerWaalsContact O-CB 3.29Å; C101-C179 WeakPolarHBondContact O-CB 3.38Å; C101-C179 WeakPolarHBondContact SG-CB 3.48Å; C101-C179 CovalentContact SG-SG 2.03Å; C101-C179 PolarHBondContact SG-SG 3.43Å |
| 102 | K | 88.1 | Confident | 86.8 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 176.1 | -71.9 | -177.3 | 176.5 | -171.8 | 0 | 112.5 | I98 L99 T100 A105 F106 | I98-K102 WeakPolarHBondContact O-CG 3.46Å; I98-K102 PolarHBondContact O-N 3.2Å; L99-K102 PolarHBondContact O-N 3.02Å; T100-K102 PolarHBondContact O-N 3.34Å; K102-A105 PolarHBondContact O-N 3.48Å; K102-F106 WeakPolarHBondContact O-CB 3.47Å; K102-F106 PolarHBondContact O-N 3.06Å |
| 103 | V | 90.5 | Very high | 87.5 | Confident | 71 Ų | 71 | 48 Ų | 48 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L99 T100 F106 L107 | L99-V103 WeakPolarHBondContact O-CG2 3.49Å; L99-V103 PolarHBondContact O-N 2.89Å; T100-V103 PolarHBondContact O-N 3.44Å; V103-F106 PolarHBondContact O-N 3.08Å; V103-L107 HydrophobicContact CG1-CD1 4.11Å; V103-L107 HydrophobicContact CG1-CG 4.46Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 2.66Å |
| 104 | I | 92 | Very high | 88.4 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 178.8 | -64.7 | -61.7 | 0 | 0 | 0 | 111.6 | I79 C80 F83 T100 C101 L107 G108 | I79-I104 HydrophobicContact CG2-CD1 3.85Å; C80-I104 HydrophobicContact CB-CG2 4.31Å; F83-I104 HydrophobicContact CB-CG2 4.32Å; F83-I104 HydrophobicContact CD1-CG1 4.11Å; F83-I104 HydrophobicContact CD2-CD1 3.39Å; F83-I104 HydrophobicContact CD2-CG1 3.71Å; F83-I104 HydrophobicContact CE1-CG1 4.28Å; F83-I104 HydrophobicContact CE2-CD1 3.34Å; F83-I104 HydrophobicContact CE2-CG1 3.89Å; F83-I104 HydrophobicContact CG-CD1 4.06Å; F83-I104 HydrophobicContact CG-CG1 3.84Å; F83-I104 HydrophobicContact CZ-CD1 3.98Å; F83-I104 HydrophobicContact CZ-CG1 4.17Å; T100-I104 HydrophobicContact CG2-CG1 4.45Å; T100-I104 VanDerWaalsContact O-CG1 3.3Å; T100-I104 WeakPolarHBondContact O-CG1 3.44Å; T100-I104 PolarHBondContact O-N 3.4Å; C101-I104 PolarHBondContact O-N 3Å; I104-L107 HydrophobicContact CD1-CD1 4.47Å; I104-L107 PolarHBondContact O-N 3.04Å; I104-G108 PolarHBondContact O-N 2.87Å |
| 105 | A | 90.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C101 K102 G108 V109 Y170 C179 | C101-A105 WeakPolarHBondContact O-CB 3.45Å; C101-A105 PolarHBondContact O-N 2.95Å; K102-A105 PolarHBondContact O-N 3.48Å; A105-G108 PolarHBondContact O-N 3.1Å; A105-V109 WeakPolarHBondContact O-CG2 3.35Å; A105-V109 PolarHBondContact O-N 2.93Å; A105-Y170 HydrophobicContact CB-CD1 3.42Å; A105-Y170 VanDerWaalsContact CB-CD1 3.42Å; A105-Y170 HydrophobicContact CB-CE1 4.03Å; A105-Y170 HydrophobicContact CB-CG 3.75Å; A105-C179 WeakPolarHBondContact CA-O 3.27Å; A105-C179 HydrophobicContact CB-CB 4.06Å; A105-C179 WeakPolarHBondContact CB-O 3.43Å |
| 106 | F | 91.8 | Very high | 90.4 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 20% | 0.197 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 175.2 | 171.3 | -96.6 | 0 | 0 | 0 | 111.9 | K102 V103 G108 V109 L110 A160 V164 Y170 | K102-F106 WeakPolarHBondContact O-CB 3.47Å; K102-F106 PolarHBondContact O-N 3.06Å; V103-F106 PolarHBondContact O-N 3.08Å; F106-G108 VanDerWaalsContact C-N 3.34Å; F106-G108 PolarHBondContact O-N 3.5Å; F106-V109 PolarHBondContact O-N 3.01Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.28Å; F106-L110 WeakPolarHBondContact O-CB 3.26Å; F106-L110 PolarHBondContact O-N 3.43Å; F106-A160 HydrophobicContact CD2-CB 3.84Å; F106-A160 WeakPolarHBondContact CD2-O 3.28Å; F106-A160 HydrophobicContact CE2-CB 3.58Å; F106-A160 HydrophobicContact CZ-CB 4.36Å; F106-V164 HydrophobicContact CB-CG2 4.4Å; F106-V164 HydrophobicContact CD2-CG2 3.55Å; F106-V164 HydrophobicContact CE2-CG2 4.22Å; F106-V164 HydrophobicContact CG-CG2 4.28Å; F106-Y170 HydrophobicContact CB-CE2 4.36Å |
| 107 | L | 93.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178 | -72.6 | 174.7 | 0 | 0 | 0 | 112 | I79 V103 I104 L110 S111 | I79-L107 HydrophobicContact CG2-CD1 4.08Å; V103-L107 HydrophobicContact CG1-CD1 4.11Å; V103-L107 HydrophobicContact CG1-CG 4.46Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 2.66Å; I104-L107 HydrophobicContact CD1-CD1 4.47Å; I104-L107 PolarHBondContact O-N 3.04Å; L107-L110 HydrophobicContact CD2-CD2 4.4Å; L107-L110 PolarHBondContact O-N 3.04Å; L107-S111 WeakPolarHBondContact O-CB 3.36Å; L107-S111 PolarHBondContact O-N 3.19Å; L107-S111 PolarHBondContact O-OG 2.83Å |
| 108 | G | 92.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I104 A105 F106 C112 | I104-G108 PolarHBondContact O-N 2.87Å; A105-G108 PolarHBondContact O-N 3.1Å; F106-G108 VanDerWaalsContact C-N 3.34Å; F106-G108 PolarHBondContact O-N 3.5Å; G108-C112 PolarHBondContact O-N 2.92Å; G108-C112 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 90.3 | Very high | 92.4 | Very high | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.145 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | A105 F106 S111 C112 F113 A160 Y170 | A105-V109 WeakPolarHBondContact O-CG2 3.35Å; A105-V109 PolarHBondContact O-N 2.93Å; F106-V109 PolarHBondContact O-N 3.01Å; V109-S111 PolarHBondContact O-N 3.35Å; V109-C112 WeakPolarHBondContact O-CB 3.48Å; V109-C112 PolarHBondContact O-N 3.02Å; V109-C112 VanDerWaalsContact O-N 3.17Å; V109-F113 HydrophobicContact CG1-CD2 3.62Å; V109-F113 HydrophobicContact CG1-CE2 3.59Å; V109-F113 WeakPolarHBondContact O-CD2 3.35Å; V109-F113 PolarHBondContact O-N 3.05Å; V109-A160 HydrophobicContact CG1-CB 4.12Å; V109-Y170 HydrophobicContact CG2-CE1 3.9Å |
| 110 | L | 93.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.7 | -51.2 | 175.1 | 176 | 66.3 | 0 | 0 | 0 | 111.3 | F106 L107 C112 F113 H114 W153 S156 V157 A160 | F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.28Å; F106-L110 WeakPolarHBondContact O-CB 3.26Å; F106-L110 PolarHBondContact O-N 3.43Å; L107-L110 HydrophobicContact CD2-CD2 4.4Å; L107-L110 PolarHBondContact O-N 3.04Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 3.11Å; L110-F113 PolarHBondContact O-N 3.37Å; L110-H114 WeakPolarHBondContact O-CB 3.45Å; L110-H114 PolarHBondContact O-N 3.38Å; L110-W153 HydrophobicContact CD2-CZ3 4.01Å; L110-W153 HydrophobicContact CG-CZ3 4.26Å; L110-S156 VanDerWaalsContact CD1-C 3.43Å; L110-V157 HydrophobicContact CD1-CB 4.32Å; L110-V157 HydrophobicContact CD1-CG2 3.63Å; L110-A160 HydrophobicContact CB-CB 4.04Å; L110-A160 HydrophobicContact CD1-CB 4.39Å |
| 111 | S | 94.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 177.5 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | L107 V109 T115 | L107-S111 WeakPolarHBondContact O-CB 3.36Å; L107-S111 PolarHBondContact O-N 3.19Å; L107-S111 PolarHBondContact O-OG 2.83Å; V109-S111 PolarHBondContact O-N 3.35Å; S111-T115 WeakPolarHBondContact O-CB 3.44Å; S111-T115 WeakPolarHBondContact O-CG2 3.24Å; S111-T115 PolarHBondContact O-N 2.92Å; S111-T115 PolarHBondContact O-OG1 3.48Å |
| 112 | C | 92.3 | Very high | 93.6 | Very high | 11 Ų | 11 | 21 Ų | 21 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.7 | -49 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | G108 V109 L110 H114 T115 A116 W305 | G108-C112 PolarHBondContact O-N 2.92Å; G108-C112 VanDerWaalsContact O-N 3.08Å; V109-C112 WeakPolarHBondContact O-CB 3.48Å; V109-C112 PolarHBondContact O-N 3.02Å; V109-C112 VanDerWaalsContact O-N 3.17Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 3.11Å; C112-H114 VanDerWaalsContact C-N 3.35Å; C112-T115 PolarHBondContact O-OG1 3.47Å; C112-A116 PolarHBondContact O-N 2.65Å; C112-A116 VanDerWaalsContact O-N 3.09Å; C112-W305 HydrophobicContact CB-CH2 3.81Å; C112-W305 HydrophobicContact CB-CZ2 4.32Å; C112-W305 HydrophobicContact CB-CZ3 4.32Å; C112-W305 WeakPolarHBondContact SG-CH2 3.4Å; C112-W305 WeakPolarHBondContact SG-CZ3 3.15Å |
| 113 | F | 93 | Very high | 93.9 | Very high | 11 Ų | 11 | 17.8 Ų | 17.8 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.8 | -81.3 | -71 | 0 | 0 | 0 | 111.6 | V109 L110 T115 A116 F117 M159 F194 L198 | V109-F113 HydrophobicContact CG1-CD2 3.62Å; V109-F113 HydrophobicContact CG1-CE2 3.59Å; V109-F113 WeakPolarHBondContact O-CD2 3.35Å; V109-F113 PolarHBondContact O-N 3.05Å; L110-F113 PolarHBondContact O-N 3.37Å; F113-T115 PolarHBondContact O-N 2.81Å; F113-A116 PolarHBondContact O-N 2.88Å; F113-F117 HydrophobicContact CB-CD2 4.3Å; F113-F117 HydrophobicContact CB-CE2 4.22Å; F113-F117 HydrophobicContact CD1-CE2 4.27Å; F113-F117 WeakPolarHBondContact O-CD2 3.47Å; F113-F117 PolarHBondContact O-N 3.16Å; F113-M159 HydrophobicContact CD1-CB 4.2Å; F113-M159 HydrophobicContact CD2-CB 4.07Å; F113-M159 HydrophobicContact CE1-CB 4.42Å; F113-M159 HydrophobicContact CE2-CB 4.28Å; F113-M159 HydrophobicContact CG-CB 4.03Å; F113-M159 HydrophobicContact CZ-CB 4.46Å; F113-F194 HydrophobicContact CZ-CB 4.44Å; F113-F194 HydrophobicContact CZ-CD1 4.32Å; F113-L198 HydrophobicContact CD1-CD1 4.28Å; F113-L198 HydrophobicContact CE1-CB 3.95Å; F113-L198 HydrophobicContact CE1-CD1 4.21Å; F113-L198 HydrophobicContact CZ-CB 4.4Å |
| 114 | H | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.6 | -51.3 | 176.1 | -177.9 | 78.9 | 0 | 0 | 0 | 111.9 | D68 S72 L110 C112 A116 F117 M118 W153 S156 | D68-H114 IonicContact OD1-CE1 3.87Å; D68-H114 IonicContact OD1-NE2 3.69Å; D68-H114 IonicContact OD2-CD2 3.91Å; D68-H114 IonicContact OD2-CE1 3.23Å; D68-H114 PolarHBondContact OD2-CE1 3.32Å; D68-H114 VanDerWaalsContact OD2-CE1 3.23Å; D68-H114 IonicContact OD2-NE2 2.68Å; D68-H114 PolarHBondContact OD2-NE2 2.75Å; S72-H114 PolarHBondContact OG-CD2 3.43Å; L110-H114 WeakPolarHBondContact O-CB 3.45Å; L110-H114 PolarHBondContact O-N 3.38Å; C112-H114 VanDerWaalsContact C-N 3.35Å; H114-A116 VanDerWaalsContact C-N 3.35Å; H114-A116 PolarHBondContact O-N 3.06Å; H114-F117 PolarHBondContact O-N 2.75Å; H114-M118 WeakPolarHBondContact NE2-CG 3.5Å; H114-M118 VanDerWaalsContact O-CB 3.28Å; H114-M118 WeakPolarHBondContact O-CB 3.19Å; H114-M118 VanDerWaalsContact O-CG 3.3Å; H114-M118 WeakPolarHBondContact O-CG 3.44Å; H114-M118 PolarHBondContact O-N 2.91Å; H114-W153 AromaticContact CE1-CD1 3.52Å; H114-W153 AromaticContact CE1-CD2 3.73Å; H114-W153 AromaticContact CE1-CE2 3.36Å; H114-W153 AromaticContact CE1-CG 3.84Å; H114-W153 AromaticContact CE1-CZ2 3.91Å; H114-W153 AromaticContact CE1-NE1 3.2Å; H114-W153 PolarHBondContact CE1-NE1 3.07Å; H114-W153 AromaticContact ND1-CD2 3.64Å; H114-W153 AromaticContact ND1-CE2 3.7Å; H114-W153 AromaticContact ND1-CG 3.88Å; H114-W153 AromaticContact ND1-NE1 3.9Å; H114-W153 AromaticContact NE2-CE2 3.9Å; H114-W153 AromaticContact NE2-NE1 3.85Å; H114-S156 WeakPolarHBondContact CA-OG 3.21Å; H114-S156 PolarHBondContact N-OG 2.89Å |
| 115 | T | 95.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 6% | 0.061 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.6 | 45.6 | 0 | 0 | 0 | 0 | 112 | L69 S111 C112 F113 M118 L119 | L69-T115 HydrophobicContact CD2-CG2 4.06Å; S111-T115 WeakPolarHBondContact O-CB 3.44Å; S111-T115 WeakPolarHBondContact O-CG2 3.24Å; S111-T115 PolarHBondContact O-N 2.92Å; S111-T115 PolarHBondContact O-OG1 3.48Å; C112-T115 PolarHBondContact O-OG1 3.47Å; F113-T115 PolarHBondContact O-N 2.81Å; T115-M118 PolarHBondContact O-N 3.07Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 WeakPolarHBondContact O-CG 3.45Å; T115-L119 PolarHBondContact O-N 3.42Å |
| 116 | A | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C112 F113 H114 L119 F120 L198 I201 L202 | C112-A116 PolarHBondContact O-N 2.65Å; C112-A116 VanDerWaalsContact O-N 3.09Å; F113-A116 PolarHBondContact O-N 2.88Å; H114-A116 VanDerWaalsContact C-N 3.35Å; H114-A116 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.33Å; A116-F120 PolarHBondContact O-N 2.92Å; A116-L198 HydrophobicContact CB-CD1 3.73Å; A116-I201 HydrophobicContact CB-CG2 4.28Å; A116-L202 HydrophobicContact CB-CD2 4.29Å |
| 117 | F | 96.3 | Very high | 94.5 | Very high | 22 Ų | 22 | 16.2 Ų | 16.2 | 10% | 0.096 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 177.1 | -75.4 | -54.6 | 0 | 0 | 0 | 112.2 | F113 H114 L119 F120 C121 V152 L155 M159 I201 | F113-F117 HydrophobicContact CB-CD2 4.3Å; F113-F117 HydrophobicContact CB-CE2 4.22Å; F113-F117 HydrophobicContact CD1-CE2 4.27Å; F113-F117 WeakPolarHBondContact O-CD2 3.47Å; F113-F117 PolarHBondContact O-N 3.16Å; H114-F117 PolarHBondContact O-N 2.75Å; F117-L119 PolarHBondContact O-N 2.92Å; F117-F120 WeakPolarHBondContact O-CB 3.23Å; F117-F120 PolarHBondContact O-N 3.42Å; F117-C121 PolarHBondContact O-N 3.05Å; F117-C121 PolarHBondContact O-SG 2.8Å; F117-V152 HydrophobicContact CB-CB 4.43Å; F117-V152 HydrophobicContact CB-CG1 3.48Å; F117-V152 VanDerWaalsContact CB-CG1 3.48Å; F117-V152 HydrophobicContact CB-CG2 4.24Å; F117-L155 HydrophobicContact CD2-CB 4.22Å; F117-L155 HydrophobicContact CE2-CB 4.03Å; F117-L155 HydrophobicContact CZ-CB 4.39Å; F117-M159 HydrophobicContact CE2-CG 4.06Å; F117-M159 HydrophobicContact CZ-CG 4.19Å; F117-I201 HydrophobicContact CD1-CD1 3.87Å; F117-I201 HydrophobicContact CD1-CG1 4.41Å; F117-I201 HydrophobicContact CD1-CG2 4.34Å; F117-I201 HydrophobicContact CE1-CD1 3.19Å; F117-I201 HydrophobicContact CE1-CG1 3.93Å; F117-I201 HydrophobicContact CE2-CD1 4.39Å; F117-I201 HydrophobicContact CZ-CD1 3.49Å; F117-I201 VanDerWaalsContact CZ-CD1 3.49Å |
| 118 | M | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 176 | -78.2 | -51.7 | -66.9 | 0 | 0 | 111.6 | F65 D68 L69 H114 T115 F120 C121 V122 I149 V152 | F65-M118 HydrophobicContact CB-CE 3.82Å; F65-M118 HydrophobicContact CD1-CE 3.64Å; F65-M118 HydrophobicContact CE1-CE 4.49Å; F65-M118 HydrophobicContact CG-CE 3.96Å; D68-M118 HydrophobicContact CB-CE 4.44Å; D68-M118 WeakPolarHBondContact OD2-CG 3.4Å; L69-M118 HydrophobicContact CD2-CB 3.86Å; L69-M118 HydrophobicContact CG-CB 4.4Å; H114-M118 WeakPolarHBondContact NE2-CG 3.5Å; H114-M118 VanDerWaalsContact O-CB 3.28Å; H114-M118 WeakPolarHBondContact O-CB 3.19Å; H114-M118 VanDerWaalsContact O-CG 3.3Å; H114-M118 WeakPolarHBondContact O-CG 3.44Å; H114-M118 PolarHBondContact O-N 2.91Å; T115-M118 PolarHBondContact O-N 3.07Å; M118-F120 VanDerWaalsContact C-N 3.3Å; M118-F120 PolarHBondContact O-N 3.46Å; M118-C121 PolarHBondContact O-N 3.22Å; M118-V122 WeakPolarHBondContact O-CB 3.5Å; M118-V122 WeakPolarHBondContact O-CG2 3.17Å; M118-V122 PolarHBondContact O-N 3.46Å; M118-I149 HydrophobicContact CE-CG1 4.07Å; M118-V152 HydrophobicContact CB-CG1 4.48Å; M118-V152 HydrophobicContact CG-CB 4.3Å; M118-V152 HydrophobicContact CG-CG1 3.59Å; M118-V152 HydrophobicContact SD-CB 3.59Å; M118-V152 VanDerWaalsContact SD-CB 3.59Å; M118-V152 HydrophobicContact SD-CG1 3.59Å; M118-V152 VanDerWaalsContact SD-CG1 3.59Å; M118-V152 HydrophobicContact SD-CG2 3.64Å |
| 119 | L | 95.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 175.8 | -71.1 | 174.6 | 0 | 0 | 0 | 112 | L69 T115 A116 F117 V122 S123 F301 | L69-L119 HydrophobicContact CD1-CD2 4.25Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 WeakPolarHBondContact O-CG 3.45Å; T115-L119 PolarHBondContact O-N 3.42Å; A116-L119 PolarHBondContact O-N 3.33Å; F117-L119 PolarHBondContact O-N 2.92Å; L119-V122 PolarHBondContact O-N 3.1Å; L119-S123 WeakPolarHBondContact O-CB 3Å; L119-S123 PolarHBondContact O-N 3.44Å; L119-F301 HydrophobicContact CD1-CB 3.68Å; L119-F301 HydrophobicContact CD1-CD1 3.96Å; L119-F301 HydrophobicContact CD1-CD2 3.68Å; L119-F301 HydrophobicContact CD1-CE2 4.31Å; L119-F301 HydrophobicContact CD1-CG 3.47Å; L119-F301 VanDerWaalsContact CD1-CG 3.47Å |
| 120 | F | 96.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 15.4 Ų | 15.4 | 31% | 0.307 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -62 | -52.4 | 172 | 177.8 | -105.9 | 0 | 0 | 0 | 111.7 | A116 F117 M118 V122 S123 V124 I201 A204 T205 V208 | A116-F120 PolarHBondContact O-N 2.92Å; F117-F120 WeakPolarHBondContact O-CB 3.23Å; F117-F120 PolarHBondContact O-N 3.42Å; M118-F120 VanDerWaalsContact C-N 3.3Å; M118-F120 PolarHBondContact O-N 3.46Å; F120-V122 VanDerWaalsContact C-N 3.29Å; F120-V122 PolarHBondContact O-N 3.27Å; F120-S123 WeakPolarHBondContact O-CB 2.93Å; F120-S123 PolarHBondContact O-N 3.29Å; F120-S123 PolarHBondContact O-OG 3.05Å; F120-V124 HydrophobicContact CE1-CG2 4.18Å; F120-V124 HydrophobicContact CE2-CG2 4.23Å; F120-V124 HydrophobicContact CZ-CG2 3.97Å; F120-V124 PolarHBondContact O-N 2.92Å; F120-I201 HydrophobicContact CB-CG2 4.27Å; F120-A204 HydrophobicContact CD2-CB 4.37Å; F120-A204 HydrophobicContact CE2-CB 4.05Å; F120-T205 WeakPolarHBondContact CA-OG1 3.44Å; F120-T205 WeakPolarHBondContact CB-OG1 3.49Å; F120-V208 HydrophobicContact CE2-CG2 4.15Å |
| 121 | C | 96.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 15.9 Ų | 15.9 | 12% | 0.122 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | 178 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | F117 M118 V124 T125 V148 | F117-C121 PolarHBondContact O-N 3.05Å; F117-C121 PolarHBondContact O-SG 2.8Å; M118-C121 PolarHBondContact O-N 3.22Å; C121-V124 PolarHBondContact O-N 3.49Å; C121-T125 WeakPolarHBondContact O-CB 3.43Å; C121-T125 PolarHBondContact O-N 3.41Å; C121-T125 PolarHBondContact O-OG1 3.34Å; C121-V148 HydrophobicContact CB-CG1 3.95Å |
| 122 | V | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 173.1 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | F65 M118 L119 F120 V124 T125 R126 F294 | F65-V122 HydrophobicContact CB-CG2 3.61Å; F65-V122 HydrophobicContact CD2-CG2 3.86Å; F65-V122 HydrophobicContact CG-CG2 4.06Å; M118-V122 WeakPolarHBondContact O-CB 3.5Å; M118-V122 WeakPolarHBondContact O-CG2 3.17Å; M118-V122 PolarHBondContact O-N 3.46Å; L119-V122 PolarHBondContact O-N 3.1Å; F120-V122 VanDerWaalsContact C-N 3.29Å; F120-V122 PolarHBondContact O-N 3.27Å; V122-V124 PolarHBondContact O-N 2.82Å; V122-T125 WeakPolarHBondContact O-CB 3.25Å; V122-T125 PolarHBondContact O-N 2.91Å; V122-T125 VanDerWaalsContact O-N 3.16Å; V122-R126 HydrophobicContact CG1-CG 4.24Å; V122-R126 VanDerWaalsContact O-CG 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.24Å; V122-R126 PolarHBondContact O-N 3.48Å; V122-F294 HydrophobicContact CG1-CB 3.78Å; V122-F294 HydrophobicContact CG1-CD1 3.41Å; V122-F294 VanDerWaalsContact CG1-CD1 3.41Å; V122-F294 HydrophobicContact CG1-CD2 4.24Å; V122-F294 HydrophobicContact CG1-CE1 3.99Å; V122-F294 HydrophobicContact CG1-CG 3.53Å; V122-F294 HydrophobicContact CG2-CE1 4.49Å |
| 123 | S | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 179.5 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | L119 F120 R126 Y127 V208 | L119-S123 WeakPolarHBondContact O-CB 3Å; L119-S123 PolarHBondContact O-N 3.44Å; F120-S123 WeakPolarHBondContact O-CB 2.93Å; F120-S123 PolarHBondContact O-N 3.29Å; F120-S123 PolarHBondContact O-OG 3.05Å; S123-R126 PolarHBondContact O-N 3.23Å; S123-Y127 PolarHBondContact O-N 3.39Å; S123-V208 WeakPolarHBondContact OG-CG1 3.43Å |
| 124 | V | 95.2 | Very high | 93.3 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 30% | 0.297 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | F120 C121 V122 R126 Y127 L128 V208 | F120-V124 HydrophobicContact CE1-CG2 4.18Å; F120-V124 HydrophobicContact CE2-CG2 4.23Å; F120-V124 HydrophobicContact CZ-CG2 3.97Å; F120-V124 PolarHBondContact O-N 2.92Å; C121-V124 PolarHBondContact O-N 3.49Å; V122-V124 PolarHBondContact O-N 2.82Å; V124-R126 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 2.96Å; V124-Y127 WeakPolarHBondContact O-CB 3.28Å; V124-Y127 PolarHBondContact O-N 2.9Å; V124-L128 HydrophobicContact CG1-CD1 4.14Å; V124-L128 HydrophobicContact CG1-CG 4.42Å; V124-L128 WeakPolarHBondContact O-CG 3.47Å; V124-L128 PolarHBondContact O-N 3.37Å; V124-V208 HydrophobicContact CG2-CG1 4.41Å; V124-V208 HydrophobicContact CG2-CG2 4.44Å |
| 125 | T | 94.1 | Very high | 93 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | F65 C121 V122 L128 A129 Y136 L140 | F65-T125 HydrophobicContact CE2-CG2 3.97Å; F65-T125 WeakPolarHBondContact CE2-OG1 3.33Å; C121-T125 WeakPolarHBondContact O-CB 3.43Å; C121-T125 PolarHBondContact O-N 3.41Å; C121-T125 PolarHBondContact O-OG1 3.34Å; V122-T125 WeakPolarHBondContact O-CB 3.25Å; V122-T125 PolarHBondContact O-N 2.91Å; V122-T125 VanDerWaalsContact O-N 3.16Å; T125-L128 PolarHBondContact O-N 3.06Å; T125-A129 WeakPolarHBondContact O-CB 3.49Å; T125-A129 PolarHBondContact O-N 3.11Å; T125-Y136 HydrophobicContact CG2-CD2 4.44Å; T125-Y136 HydrophobicContact CG2-CE2 3.86Å; T125-L140 HydrophobicContact CG2-CD1 4.49Å; T125-L140 HydrophobicContact CG2-CD2 3.46Å; T125-L140 VanDerWaalsContact CG2-CD2 3.46Å |
| 126 | R | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 177.3 | -65.9 | -55.5 | 84.5 | -157.3 | -1.5 | 111.5 | V122 S123 V124 A129 I130 Y136 L212 E287 F294 | V122-R126 HydrophobicContact CG1-CG 4.24Å; V122-R126 VanDerWaalsContact O-CG 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.24Å; V122-R126 PolarHBondContact O-N 3.48Å; S123-R126 PolarHBondContact O-N 3.23Å; V124-R126 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 2.96Å; R126-A129 PolarHBondContact O-N 3.44Å; R126-I130 PolarHBondContact O-N 2.88Å; R126-Y136 PolarHBondContact NH2-OH 3.39Å; R126-L212 HydrophobicContact CB-CD2 4.4Å; R126-E287 IonicContact CZ-OE2 3.65Å; R126-E287 IonicContact NH1-OE2 2.66Å; R126-E287 PolarHBondContact NH1-OE2 3.23Å; R126-E287 IonicContact NH2-OE2 3.87Å; R126-F294 HydrophobicContact CG-CB 4.4Å; R126-F294 HydrophobicContact CG-CD2 4.43Å |
| 127 | Y | 93 | Very high | 92.3 | Very high | 36 Ų | 36 | 41 Ų | 41 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 172 | 175.1 | -95.5 | 0 | 0 | 0 | 111.6 | S123 V124 A129 I130 A131 K211 L212 | S123-Y127 PolarHBondContact O-N 3.39Å; V124-Y127 WeakPolarHBondContact O-CB 3.28Å; V124-Y127 PolarHBondContact O-N 2.9Å; Y127-A129 VanDerWaalsContact C-N 3.34Å; Y127-A129 PolarHBondContact O-N 2.99Å; Y127-I130 PolarHBondContact O-N 3.43Å; Y127-A131 HydrophobicContact CD2-CB 4.32Å; Y127-A131 HydrophobicContact CE1-CB 4.1Å; Y127-A131 HydrophobicContact CE2-CB 3.92Å; Y127-A131 VanDerWaalsContact O-CB 3.27Å; Y127-A131 WeakPolarHBondContact O-CB 3.34Å; Y127-A131 PolarHBondContact O-N 3.34Å; Y127-K211 HydrophobicContact CE2-CD 3.88Å; Y127-K211 HydrophobicContact CE2-CG 4.03Å; Y127-K211 VanDerWaalsContact OH-CE 3.29Å; Y127-K211 WeakPolarHBondContact OH-CE 3.36Å; Y127-K211 PolarHBondContact OH-NZ 2.76Å; Y127-L212 HydrophobicContact CD2-CB 4.24Å |
| 128 | L | 92.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 177.8 | -68.1 | 174.4 | 0 | 0 | 0 | 112.4 | V124 T125 I130 H132 H133 F135 | V124-L128 HydrophobicContact CG1-CD1 4.14Å; V124-L128 HydrophobicContact CG1-CG 4.42Å; V124-L128 WeakPolarHBondContact O-CG 3.47Å; V124-L128 PolarHBondContact O-N 3.37Å; T125-L128 PolarHBondContact O-N 3.06Å; L128-I130 VanDerWaalsContact C-N 3.3Å; L128-I130 PolarHBondContact O-N 3.24Å; L128-H132 CarbonylContact O-C 3.01Å; L128-H132 WeakPolarHBondContact O-CA 3.31Å; L128-H132 PolarHBondContact O-N 3.25Å; L128-H133 PolarHBondContact O-N 3.32Å; L128-F135 HydrophobicContact CD1-CE1 4.49Å |
| 129 | A | 91.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T125 R126 Y127 H133 Y136 | T125-A129 WeakPolarHBondContact O-CB 3.49Å; T125-A129 PolarHBondContact O-N 3.11Å; R126-A129 PolarHBondContact O-N 3.44Å; Y127-A129 VanDerWaalsContact C-N 3.34Å; Y127-A129 PolarHBondContact O-N 2.99Å; A129-H133 WeakPolarHBondContact O-CB 3.43Å; A129-Y136 HydrophobicContact CB-CD1 4.31Å; A129-Y136 HydrophobicContact CB-CD2 3.63Å; A129-Y136 HydrophobicContact CB-CE1 4.29Å; A129-Y136 HydrophobicContact CB-CE2 3.57Å; A129-Y136 HydrophobicContact CB-CG 4.01Å |
| 130 | I | 89.9 | Confident | 91.4 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -90.4 | -45.9 | -176.2 | -67.1 | 172.2 | 0 | 0 | 0 | 111.9 | R126 Y127 L128 L212 F215 V216 F284 S291 | R126-I130 PolarHBondContact O-N 2.88Å; Y127-I130 PolarHBondContact O-N 3.43Å; L128-I130 VanDerWaalsContact C-N 3.3Å; L128-I130 PolarHBondContact O-N 3.24Å; I130-L212 HydrophobicContact CB-CD1 3.87Å; I130-L212 HydrophobicContact CD1-CD1 3.68Å; I130-L212 HydrophobicContact CD1-CD2 4.29Å; I130-L212 HydrophobicContact CD1-CG 4.49Å; I130-L212 HydrophobicContact CG1-CD1 4.32Å; I130-L212 HydrophobicContact CG2-CD1 3.97Å; I130-F215 HydrophobicContact CG2-CD1 4.21Å; I130-F215 HydrophobicContact CG2-CE1 4.21Å; I130-V216 HydrophobicContact CG2-CG2 3.8Å; I130-F284 HydrophobicContact CG2-CE2 4.2Å; I130-F284 HydrophobicContact CG2-CZ 4.33Å; I130-S291 VanDerWaalsContact CD1-OG 3.29Å; I130-S291 WeakPolarHBondContact CD1-OG 3.25Å |
| 131 | A | 88.9 | Confident | 91.2 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -81.8 | -34.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y127 F215 | Y127-A131 HydrophobicContact CD2-CB 4.32Å; Y127-A131 HydrophobicContact CE1-CB 4.1Å; Y127-A131 HydrophobicContact CE2-CB 3.92Å; Y127-A131 VanDerWaalsContact O-CB 3.27Å; Y127-A131 WeakPolarHBondContact O-CB 3.34Å; Y127-A131 PolarHBondContact O-N 3.34Å; A131-F215 HydrophobicContact CB-CD1 4.18Å; A131-F215 HydrophobicContact CB-CE1 3.83Å; A131-F215 HydrophobicContact CB-CE2 4.17Å; A131-F215 HydrophobicContact CB-CZ 3.81Å |
| 132 | H | 88.7 | Confident | 91 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | trans | -132.1 | 52.7 | -174.9 | -62.3 | -71 | 0 | 0 | 0 | 111.6 | L128 R134 F135 Y136 | L128-H132 CarbonylContact O-C 3.01Å; L128-H132 WeakPolarHBondContact O-CA 3.31Å; L128-H132 PolarHBondContact O-N 3.25Å; H132-R134 PolarHBondContact O-N 2.95Å; H132-R134 VanDerWaalsContact O-N 3.08Å; H132-F135 HydrophobicContact CB-CB 4.18Å; H132-F135 WeakPolarHBondContact O-CB 3.21Å; H132-F135 PolarHBondContact O-N 2.64Å; H132-Y136 PolarHBondContact O-N 3.47Å | ||
| 133 | H | 86.6 | Confident | 90.9 | Very high | 57 Ų | 57 | 70 Ų | 70 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -50.8 | -37.9 | -174.7 | -178.4 | 70.7 | 0 | 0 | 0 | 114.4 | L128 A129 F135 Y136 T137 E283 | L128-H133 PolarHBondContact O-N 3.32Å; A129-H133 WeakPolarHBondContact O-CB 3.43Å; H133-F135 PolarHBondContact O-N 3.14Å; H133-Y136 PolarHBondContact O-N 2.87Å; H133-T137 WeakPolarHBondContact O-CG2 3.3Å; H133-T137 PolarHBondContact O-N 3.44Å; H133-T137 PolarHBondContact O-OG1 2.99Å; H133-E283 IonicContact CE1-OE1 3.37Å; H133-E283 PolarHBondContact CE1-OE1 3.37Å; H133-E283 IonicContact NE2-OE1 3.83Å |
| 134 | R | 86.3 | Confident | 90.8 | Very high | 199 Ų | 199 | 72.3 Ų | 72.3 | 75% | 0.751 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.4 | -35 | 177.9 | -165 | -179 | -148.7 | -176.1 | 6.4 | 113.3 | H132 T137 K138 | H132-R134 PolarHBondContact O-N 2.95Å; H132-R134 VanDerWaalsContact O-N 3.08Å; R134-T137 PolarHBondContact O-OG1 3.04Å; R134-K138 WeakPolarHBondContact O-CG 3.15Å |
| 135 | F | 89.2 | Confident | 90.8 | Very high | 112 Ų | 112 | 70 Ų | 70 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.2 | -45.1 | 175.7 | 179.5 | -91.6 | 0 | 0 | 0 | 109.9 | L128 H132 H133 T137 K138 R139 | L128-F135 HydrophobicContact CD1-CE1 4.49Å; H132-F135 HydrophobicContact CB-CB 4.18Å; H132-F135 WeakPolarHBondContact O-CB 3.21Å; H132-F135 PolarHBondContact O-N 2.64Å; H133-F135 PolarHBondContact O-N 3.14Å; F135-T137 PolarHBondContact O-N 2.83Å; F135-K138 PolarHBondContact O-N 3.15Å; F135-R139 HydrophobicContact CD1-CB 4.4Å; F135-R139 HydrophobicContact CD1-CG 4.33Å; F135-R139 HydrophobicContact CD2-CG 3.98Å; F135-R139 HydrophobicContact CE1-CB 4.11Å; F135-R139 HydrophobicContact CE1-CG 4.05Å; F135-R139 HydrophobicContact CE2-CG 3.69Å; F135-R139 HydrophobicContact CG-CG 4.3Å; F135-R139 HydrophobicContact CZ-CB 4.22Å; F135-R139 HydrophobicContact CZ-CG 3.73Å; F135-R139 WeakPolarHBondContact O-CB 3.35Å; F135-R139 PolarHBondContact O-N 2.99Å |
| 136 | Y | 89.6 | Confident | 90.9 | Very high | 20 Ų | 20 | 72.9 Ų | 72.9 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.7 | -53 | 176.9 | 172.9 | -91.4 | 0 | 0 | 0 | 112.3 | P62 T125 R126 A129 H132 H133 K138 R139 L140 | P62-Y136 WeakPolarHBondContact CD-OH 3.33Å; T125-Y136 HydrophobicContact CG2-CD2 4.44Å; T125-Y136 HydrophobicContact CG2-CE2 3.86Å; R126-Y136 PolarHBondContact NH2-OH 3.39Å; A129-Y136 HydrophobicContact CB-CD1 4.31Å; A129-Y136 HydrophobicContact CB-CD2 3.63Å; A129-Y136 HydrophobicContact CB-CE1 4.29Å; A129-Y136 HydrophobicContact CB-CE2 3.57Å; A129-Y136 HydrophobicContact CB-CG 4.01Å; H132-Y136 PolarHBondContact O-N 3.47Å; H133-Y136 PolarHBondContact O-N 2.87Å; Y136-K138 VanDerWaalsContact C-N 3.28Å; Y136-K138 PolarHBondContact O-N 3.15Å; Y136-R139 PolarHBondContact O-N 3.28Å; Y136-L140 HydrophobicContact CD2-CB 4.25Å; Y136-L140 HydrophobicContact CD2-CD2 3.52Å; Y136-L140 HydrophobicContact CE2-CB 4.4Å; Y136-L140 HydrophobicContact CE2-CD2 3.02Å; Y136-L140 HydrophobicContact CE2-CG 4.33Å; Y136-L140 HydrophobicContact CG-CD2 4.5Å; Y136-L140 WeakPolarHBondContact O-CB 3.23Å; Y136-L140 PolarHBondContact O-N 3.18Å |
| 137 | T | 86 | Confident | 91 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -28.6 | -177.5 | 48 | 0 | 0 | 0 | 0 | 113.7 | H133 R134 F135 | H133-T137 WeakPolarHBondContact O-CG2 3.3Å; H133-T137 PolarHBondContact O-N 3.44Å; H133-T137 PolarHBondContact O-OG1 2.99Å; R134-T137 PolarHBondContact O-OG1 3.04Å; F135-T137 PolarHBondContact O-N 2.83Å |
| 138 | K | 89.3 | Confident | 91.2 | Very high | 151 Ų | 151 | 75.8 Ų | 75.8 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -84.9 | -35.5 | 178.5 | -73.2 | -170 | 174.5 | -165.6 | 0 | 113.9 | R134 F135 Y136 | R134-K138 WeakPolarHBondContact O-CG 3.15Å; F135-K138 PolarHBondContact O-N 3.15Å; Y136-K138 VanDerWaalsContact C-N 3.28Å; Y136-K138 PolarHBondContact O-N 3.15Å |
| 139 | R | 90.4 | Very high | 91.5 | Very high | 167 Ų | 167 | 74.6 Ų | 74.6 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -99.8 | -30.7 | -170.5 | -68.7 | -68.4 | -166.9 | 173.7 | 1.7 | 113.3 | F135 Y136 T141 T144 | F135-R139 HydrophobicContact CD1-CB 4.4Å; F135-R139 HydrophobicContact CD1-CG 4.33Å; F135-R139 HydrophobicContact CD2-CG 3.98Å; F135-R139 HydrophobicContact CE1-CB 4.11Å; F135-R139 HydrophobicContact CE1-CG 4.05Å; F135-R139 HydrophobicContact CE2-CG 3.69Å; F135-R139 HydrophobicContact CG-CG 4.3Å; F135-R139 HydrophobicContact CZ-CB 4.22Å; F135-R139 HydrophobicContact CZ-CG 3.73Å; F135-R139 WeakPolarHBondContact O-CB 3.35Å; F135-R139 PolarHBondContact O-N 2.99Å; Y136-R139 PolarHBondContact O-N 3.28Å; R139-T141 VanDerWaalsContact C-N 3.31Å; R139-T141 PolarHBondContact O-N 3.35Å; R139-T144 WeakPolarHBondContact O-CG2 3.47Å; R139-T144 PolarHBondContact O-OG1 2.92Å |
| 140 | L | 90.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | trans | -86.8 | 74.4 | -173.3 | -157.2 | 72.7 | 0 | 0 | 0 | 111.5 | A61 T125 Y136 T144 | A61-L140 HydrophobicContact CB-CD2 3.16Å; A61-L140 HydrophobicContact CB-CG 3.58Å; T125-L140 HydrophobicContact CG2-CD1 4.49Å; T125-L140 HydrophobicContact CG2-CD2 3.46Å; T125-L140 VanDerWaalsContact CG2-CD2 3.46Å; Y136-L140 HydrophobicContact CD2-CB 4.25Å; Y136-L140 HydrophobicContact CD2-CD2 3.52Å; Y136-L140 HydrophobicContact CE2-CB 4.4Å; Y136-L140 HydrophobicContact CE2-CD2 3.02Å; Y136-L140 HydrophobicContact CE2-CG 4.33Å; Y136-L140 HydrophobicContact CG-CD2 4.5Å; Y136-L140 WeakPolarHBondContact O-CB 3.23Å; Y136-L140 PolarHBondContact O-N 3.18Å; L140-T144 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 141 | T | 92.7 | Very high | 92.1 | Very high | 65 Ų | 65 | 81.2 Ų | 81.2 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | trans | -89.5 | 170 | 174.9 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | R139 W143 T144 C145 | R139-T141 VanDerWaalsContact C-N 3.31Å; R139-T141 PolarHBondContact O-N 3.35Å; T141-W143 VanDerWaalsContact C-N 3.31Å; T141-W143 PolarHBondContact O-N 3.01Å; T141-T144 PolarHBondContact N-OG1 3.49Å; T141-T144 PolarHBondContact O-N 3.5Å; T141-T144 PolarHBondContact O-OG1 3.2Å; T141-T144 PolarHBondContact OG1-N 2.92Å; T141-C145 PolarHBondContact O-N 2.95Å; T141-C145 PolarHBondContact O-SG 3.1Å | ||
| 142 | F | 91.3 | Very high | 92.5 | Very high | 107 Ų | 107 | 80.3 Ų | 80.3 | 47% | 0.469 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -52.1 | -47.7 | 173.7 | 175.1 | -100.8 | 0 | 0 | 0 | 112.6 | Y64 T144 C145 L146 | Y64-F142 HydrophobicContact CD2-CD2 4.38Å; Y64-F142 HydrophobicContact CE1-CD2 4.36Å; Y64-F142 HydrophobicContact CE1-CE2 4.48Å; Y64-F142 AromaticContact CE2-CD2 3.86Å; Y64-F142 HydrophobicContact CE2-CD2 3.86Å; Y64-F142 AromaticContact CZ-CD2 3.84Å; F142-T144 VanDerWaalsContact C-N 3.32Å; F142-T144 PolarHBondContact O-N 3.46Å; F142-C145 WeakPolarHBondContact O-CB 3.47Å; F142-C145 PolarHBondContact O-N 2.97Å; F142-C145 VanDerWaalsContact O-N 3.08Å; F142-L146 PolarHBondContact O-N 2.86Å |
| 143 | W | 94.2 | Very high | 92.9 | Very high | 191 Ų | 191 | 79 Ų | 79 | 72% | 0.723 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.8 | -38 | 179.4 | -64.5 | 110.2 | 0 | 0 | 0 | 113 | T141 L146 A147 | T141-W143 VanDerWaalsContact C-N 3.31Å; T141-W143 PolarHBondContact O-N 3.01Å; W143-L146 HydrophobicContact CE3-CD2 4.09Å; W143-L146 HydrophobicContact CZ3-CD2 4.12Å; W143-L146 PolarHBondContact O-N 3.45Å; W143-A147 WeakPolarHBondContact O-CB 3.41Å; W143-A147 PolarHBondContact O-N 3.45Å |
| 144 | T | 94.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 80.7 Ų | 80.7 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | R139 L140 T141 F142 A147 V148 | R139-T144 WeakPolarHBondContact O-CG2 3.47Å; R139-T144 PolarHBondContact O-OG1 2.92Å; L140-T144 WeakPolarHBondContact CA-OG1 3.3Å; T141-T144 PolarHBondContact N-OG1 3.49Å; T141-T144 PolarHBondContact O-N 3.5Å; T141-T144 PolarHBondContact O-OG1 3.2Å; T141-T144 PolarHBondContact OG1-N 2.92Å; F142-T144 VanDerWaalsContact C-N 3.32Å; F142-T144 PolarHBondContact O-N 3.46Å; T144-A147 PolarHBondContact O-N 2.97Å; T144-V148 VanDerWaalsContact O-CG2 3.28Å; T144-V148 WeakPolarHBondContact O-CG2 3.29Å; T144-V148 PolarHBondContact O-N 3.43Å |
| 145 | C | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.014 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | A61 Y64 F65 T141 F142 V148 I149 | A61-C145 WeakPolarHBondContact CB-SG 3.41Å; Y64-C145 HydrophobicContact CD2-CB 4.17Å; F65-C145 HydrophobicContact CE1-CB 3.97Å; F65-C145 HydrophobicContact CZ-CB 4.29Å; T141-C145 PolarHBondContact O-N 2.95Å; T141-C145 PolarHBondContact O-SG 3.1Å; F142-C145 WeakPolarHBondContact O-CB 3.47Å; F142-C145 PolarHBondContact O-N 2.97Å; F142-C145 VanDerWaalsContact O-N 3.08Å; C145-V148 PolarHBondContact O-N 3.18Å; C145-I149 WeakPolarHBondContact O-CG1 3.48Å; C145-I149 PolarHBondContact O-N 2.99Å |
| 146 | L | 95.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 69 Ų | 69 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.3 | -177.8 | 63.1 | 0 | 0 | 0 | 111.4 | F142 W143 V148 I149 C150 | F142-L146 PolarHBondContact O-N 2.86Å; W143-L146 HydrophobicContact CE3-CD2 4.09Å; W143-L146 HydrophobicContact CZ3-CD2 4.12Å; W143-L146 PolarHBondContact O-N 3.45Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.78Å; L146-I149 PolarHBondContact O-N 3.46Å; L146-C150 PolarHBondContact O-N 2.82Å; L146-C150 PolarHBondContact O-SG 3.37Å |
| 147 | A | 96.8 | Very high | 94.2 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | W143 T144 M151 | W143-A147 WeakPolarHBondContact O-CB 3.41Å; W143-A147 PolarHBondContact O-N 3.45Å; T144-A147 PolarHBondContact O-N 2.97Å; A147-M151 VanDerWaalsContact O-CB 3.29Å; A147-M151 WeakPolarHBondContact O-CB 3.48Å; A147-M151 PolarHBondContact O-N 3.15Å |
| 148 | V | 96.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 111 | F65 C121 T144 C145 L146 M151 V152 | F65-V148 HydrophobicContact CE1-CB 4.16Å; F65-V148 HydrophobicContact CE1-CG1 3.96Å; F65-V148 HydrophobicContact CZ-CB 4.3Å; F65-V148 HydrophobicContact CZ-CG1 4.04Å; C121-V148 HydrophobicContact CB-CG1 3.95Å; T144-V148 VanDerWaalsContact O-CG2 3.28Å; T144-V148 WeakPolarHBondContact O-CG2 3.29Å; T144-V148 PolarHBondContact O-N 3.43Å; C145-V148 PolarHBondContact O-N 3.18Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.78Å; V148-M151 PolarHBondContact O-N 3.33Å; V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.93Å |
| 149 | I | 97.4 | Very high | 94.3 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 177.6 | -69.9 | 164.2 | 0 | 0 | 0 | 110.4 | F65 D68 M118 C145 L146 M151 V152 W153 | F65-I149 HydrophobicContact CD1-CD1 4.19Å; F65-I149 HydrophobicContact CD1-CG1 4Å; F65-I149 HydrophobicContact CE1-CD1 4.49Å; F65-I149 HydrophobicContact CE1-CG1 4.18Å; D68-I149 HydrophobicContact CB-CD1 4.13Å; D68-I149 HydrophobicContact CB-CG1 4.31Å; D68-I149 HydrophobicContact CB-CG2 4.47Å; D68-I149 WeakPolarHBondContact OD1-CG2 3.35Å; M118-I149 HydrophobicContact CE-CG1 4.07Å; C145-I149 WeakPolarHBondContact O-CG1 3.48Å; C145-I149 PolarHBondContact O-N 2.99Å; L146-I149 PolarHBondContact O-N 3.46Å; I149-M151 VanDerWaalsContact C-N 3.32Å; I149-M151 PolarHBondContact O-N 3.44Å; I149-V152 PolarHBondContact O-N 3.36Å; I149-V152 VanDerWaalsContact O-N 3.15Å; I149-W153 VanDerWaalsContact O-CD1 3.27Å; I149-W153 PolarHBondContact O-N 3.45Å |
| 150 | C | 97.4 | Very high | 94.2 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 46% | 0.459 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 177.1 | -67.6 | 0 | 0 | 0 | 0 | 112 | L146 V152 W153 T154 | L146-C150 PolarHBondContact O-N 2.82Å; L146-C150 PolarHBondContact O-SG 3.37Å; C150-V152 VanDerWaalsContact C-N 3.32Å; C150-V152 PolarHBondContact O-N 3.22Å; C150-W153 PolarHBondContact O-N 3.02Å; C150-T154 WeakPolarHBondContact O-CG2 3.47Å; C150-T154 PolarHBondContact O-N 3.35Å; C150-T154 PolarHBondContact O-OG1 3.04Å |
| 151 | M | 97.2 | Very high | 93.9 | Very high | 88 Ų | 88 | 60 Ų | 60 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 176.1 | 172.9 | -94.1 | -90.4 | 0 | 0 | 112.1 | A147 V148 I149 T154 L155 | A147-M151 VanDerWaalsContact O-CB 3.29Å; A147-M151 WeakPolarHBondContact O-CB 3.48Å; A147-M151 PolarHBondContact O-N 3.15Å; V148-M151 PolarHBondContact O-N 3.33Å; I149-M151 VanDerWaalsContact C-N 3.32Å; I149-M151 PolarHBondContact O-N 3.44Å; M151-T154 WeakPolarHBondContact CA-OG1 3.28Å; M151-T154 PolarHBondContact O-N 2.85Å; M151-T154 PolarHBondContact O-OG1 3.36Å; M151-L155 HydrophobicContact CG-CD1 3.91Å; M151-L155 WeakPolarHBondContact O-CB 3.43Å; M151-L155 WeakPolarHBondContact O-CD1 3.39Å; M151-L155 WeakPolarHBondContact O-CG 3.18Å; M151-L155 PolarHBondContact O-N 2.92Å; M151-L155 HydrophobicContact SD-CD1 3.25Å; M151-L155 WeakPolarHBondContact SD-CD1 3.49Å; M151-L155 HydrophobicContact SD-CG 4.49Å |
| 152 | V | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | F117 M118 V148 I149 C150 T154 L155 S156 | F117-V152 HydrophobicContact CB-CB 4.43Å; F117-V152 HydrophobicContact CB-CG1 3.48Å; F117-V152 VanDerWaalsContact CB-CG1 3.48Å; F117-V152 HydrophobicContact CB-CG2 4.24Å; M118-V152 HydrophobicContact CB-CG1 4.48Å; M118-V152 HydrophobicContact CG-CB 4.3Å; M118-V152 HydrophobicContact CG-CG1 3.59Å; M118-V152 HydrophobicContact SD-CB 3.59Å; M118-V152 VanDerWaalsContact SD-CB 3.59Å; M118-V152 HydrophobicContact SD-CG1 3.59Å; M118-V152 VanDerWaalsContact SD-CG1 3.59Å; M118-V152 HydrophobicContact SD-CG2 3.64Å; V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.93Å; I149-V152 PolarHBondContact O-N 3.36Å; I149-V152 VanDerWaalsContact O-N 3.15Å; C150-V152 VanDerWaalsContact C-N 3.32Å; C150-V152 PolarHBondContact O-N 3.22Å; V152-T154 PolarHBondContact O-N 3.48Å; V152-L155 PolarHBondContact O-N 3.39Å; V152-S156 WeakPolarHBondContact O-CB 3.46Å; V152-S156 PolarHBondContact O-N 2.96Å; V152-S156 PolarHBondContact O-OG 3.42Å |
| 153 | W | 97.2 | Very high | 92.3 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 28% | 0.284 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 173.7 | -83.9 | 103 | 0 | 0 | 0 | 111.9 | D68 L75 L110 H114 I149 C150 S156 V157 | D68-W153 PolarHBondContact OD1-NE1 3.46Å; L75-W153 HydrophobicContact CD2-CH2 4.17Å; L110-W153 HydrophobicContact CD2-CZ3 4.01Å; L110-W153 HydrophobicContact CG-CZ3 4.26Å; H114-W153 AromaticContact CE1-CD1 3.52Å; H114-W153 AromaticContact CE1-CD2 3.73Å; H114-W153 AromaticContact CE1-CE2 3.36Å; H114-W153 AromaticContact CE1-CG 3.84Å; H114-W153 AromaticContact CE1-CZ2 3.91Å; H114-W153 AromaticContact CE1-NE1 3.2Å; H114-W153 PolarHBondContact CE1-NE1 3.07Å; H114-W153 AromaticContact ND1-CD2 3.64Å; H114-W153 AromaticContact ND1-CE2 3.7Å; H114-W153 AromaticContact ND1-CG 3.88Å; H114-W153 AromaticContact ND1-NE1 3.9Å; H114-W153 AromaticContact NE2-CE2 3.9Å; H114-W153 AromaticContact NE2-NE1 3.85Å; I149-W153 VanDerWaalsContact O-CD1 3.27Å; I149-W153 PolarHBondContact O-N 3.45Å; C150-W153 PolarHBondContact O-N 3.02Å; W153-S156 PolarHBondContact O-N 3.48Å; W153-V157 WeakPolarHBondContact O-CG2 3.41Å; W153-V157 PolarHBondContact O-N 3.39Å |
| 154 | T | 96.3 | Very high | 91.2 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 179.5 | 56 | 0 | 0 | 0 | 0 | 112.3 | C150 M151 V152 S156 V157 A158 | C150-T154 WeakPolarHBondContact O-CG2 3.47Å; C150-T154 PolarHBondContact O-N 3.35Å; C150-T154 PolarHBondContact O-OG1 3.04Å; M151-T154 WeakPolarHBondContact CA-OG1 3.28Å; M151-T154 PolarHBondContact O-N 2.85Å; M151-T154 PolarHBondContact O-OG1 3.36Å; V152-T154 PolarHBondContact O-N 3.48Å; T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 3.46Å; T154-V157 PolarHBondContact O-N 2.92Å; T154-A158 WeakPolarHBondContact O-CB 3.42Å; T154-A158 PolarHBondContact O-N 3.26Å |
| 155 | L | 94.6 | Very high | 90 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 173.2 | -80.2 | 159.3 | 0 | 0 | 0 | 111.8 | F117 M151 V152 A158 M159 | F117-L155 HydrophobicContact CD2-CB 4.22Å; F117-L155 HydrophobicContact CE2-CB 4.03Å; F117-L155 HydrophobicContact CZ-CB 4.39Å; M151-L155 HydrophobicContact CG-CD1 3.91Å; M151-L155 WeakPolarHBondContact O-CB 3.43Å; M151-L155 WeakPolarHBondContact O-CD1 3.39Å; M151-L155 WeakPolarHBondContact O-CG 3.18Å; M151-L155 PolarHBondContact O-N 2.92Å; M151-L155 HydrophobicContact SD-CD1 3.25Å; M151-L155 WeakPolarHBondContact SD-CD1 3.49Å; M151-L155 HydrophobicContact SD-CG 4.49Å; V152-L155 PolarHBondContact O-N 3.39Å; L155-A158 PolarHBondContact O-N 3.43Å; L155-M159 VanDerWaalsContact O-CG 3.3Å; L155-M159 WeakPolarHBondContact O-CG 3.19Å; L155-M159 PolarHBondContact O-N 3.06Å |
| 156 | S | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.2 | -41 | -179.2 | -54 | 0 | 0 | 0 | 0 | 111.7 | L110 H114 V152 W153 T154 M159 A160 | L110-S156 VanDerWaalsContact CD1-C 3.43Å; H114-S156 WeakPolarHBondContact CA-OG 3.21Å; H114-S156 PolarHBondContact N-OG 2.89Å; V152-S156 WeakPolarHBondContact O-CB 3.46Å; V152-S156 PolarHBondContact O-N 2.96Å; V152-S156 PolarHBondContact O-OG 3.42Å; W153-S156 PolarHBondContact O-N 3.48Å; T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 3.46Å; S156-M159 PolarHBondContact O-N 3.47Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 3.29Å |
| 157 | V | 93.1 | Very high | 86.7 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L110 W153 T154 M159 A160 F161 | L110-V157 HydrophobicContact CD1-CB 4.32Å; L110-V157 HydrophobicContact CD1-CG2 3.63Å; W153-V157 WeakPolarHBondContact O-CG2 3.41Å; W153-V157 PolarHBondContact O-N 3.39Å; T154-V157 PolarHBondContact O-N 2.92Å; V157-M159 PolarHBondContact O-N 2.91Å; V157-A160 PolarHBondContact O-N 3.22Å; V157-A160 VanDerWaalsContact O-N 3.13Å; V157-F161 WeakPolarHBondContact O-CB 3.41Å; V157-F161 PolarHBondContact O-N 3.43Å |
| 158 | A | 90.7 | Very high | 84.9 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.6 | -32.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T154 L155 P162 | T154-A158 WeakPolarHBondContact O-CB 3.42Å; T154-A158 PolarHBondContact O-N 3.26Å; L155-A158 PolarHBondContact O-N 3.43Å; A158-P162 WeakPolarHBondContact O-CD 3.41Å |
| 159 | M | 86.9 | Confident | 83.7 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -82.3 | -32.8 | 175.5 | -65.6 | -58.9 | 164.5 | 0 | 0 | 113.6 | F113 F117 L155 S156 V157 F194 L197 | F113-M159 HydrophobicContact CD1-CB 4.2Å; F113-M159 HydrophobicContact CD2-CB 4.07Å; F113-M159 HydrophobicContact CE1-CB 4.42Å; F113-M159 HydrophobicContact CE2-CB 4.28Å; F113-M159 HydrophobicContact CG-CB 4.03Å; F113-M159 HydrophobicContact CZ-CB 4.46Å; F117-M159 HydrophobicContact CE2-CG 4.06Å; F117-M159 HydrophobicContact CZ-CG 4.19Å; L155-M159 VanDerWaalsContact O-CG 3.3Å; L155-M159 WeakPolarHBondContact O-CG 3.19Å; L155-M159 PolarHBondContact O-N 3.06Å; S156-M159 PolarHBondContact O-N 3.47Å; V157-M159 PolarHBondContact O-N 2.91Å; M159-F194 WeakPolarHBondContact O-CE1 3.34Å; M159-L197 HydrophobicContact CE-CD2 3.4Å; M159-L197 HydrophobicContact CG-CD2 4.15Å; M159-L197 HydrophobicContact SD-CD2 3.27Å; M159-L197 WeakPolarHBondContact SD-CD2 3.27Å |
| 160 | A | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -82.1 | -19.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F106 V109 L110 S156 V157 Y170 | F106-A160 HydrophobicContact CD2-CB 3.84Å; F106-A160 WeakPolarHBondContact CD2-O 3.28Å; F106-A160 HydrophobicContact CE2-CB 3.58Å; F106-A160 HydrophobicContact CZ-CB 4.36Å; V109-A160 HydrophobicContact CG1-CB 4.12Å; L110-A160 HydrophobicContact CB-CB 4.04Å; L110-A160 HydrophobicContact CD1-CB 4.39Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 3.29Å; V157-A160 PolarHBondContact O-N 3.22Å; V157-A160 VanDerWaalsContact O-N 3.13Å; A160-Y170 PolarHBondContact O-OH 3.06Å |
| 161 | F | 84.3 | Confident | 82.4 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -76.3 | -40 | -172.6 | -167.8 | -105.2 | 0 | 0 | 0 | 116 | V157 V164 L165 | V157-F161 WeakPolarHBondContact O-CB 3.41Å; V157-F161 PolarHBondContact O-N 3.43Å; F161-V164 WeakPolarHBondContact O-CA 3.34Å; F161-V164 WeakPolarHBondContact O-CB 3.3Å; F161-V164 PolarHBondContact O-N 3.48Å; F161-L165 HydrophobicContact CD1-CD1 4Å; F161-L165 HydrophobicContact CD1-CG 4.1Å; F161-L165 HydrophobicContact CE1-CD1 3.66Å; F161-L165 HydrophobicContact CE1-CD2 3.68Å; F161-L165 HydrophobicContact CE1-CG 3.72Å; F161-L165 HydrophobicContact CZ-CD2 3.81Å; F161-L165 HydrophobicContact CZ-CG 4.28Å |
| 162 | P | 78.8 | Confident | 81.9 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.8 | -41.3 | -175 | -22.9 | 31.7 | 0 | 0 | 0 | 114 | A158 V164 L165 D166 F194 | A158-P162 WeakPolarHBondContact O-CD 3.41Å; P162-V164 PolarHBondContact O-N 3.2Å; P162-V164 VanDerWaalsContact O-N 3.15Å; P162-L165 PolarHBondContact O-N 2.7Å; P162-L165 VanDerWaalsContact O-N 3.08Å; P162-D166 PolarHBondContact O-N 2.9Å; P162-F194 HydrophobicContact CB-CZ 3.78Å; P162-F194 HydrophobicContact CG-CE1 4.27Å; P162-F194 HydrophobicContact CG-CZ 3.82Å |
| 163 | P | 72.1 | Confident | 81.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -19.6 | 174 | -21.4 | 33.1 | 0 | 0 | 0 | 114.4 | T169 Y170 F181 F194 | P163-T169 WeakPolarHBondContact CA-OG1 3.37Å; P163-T169 VanDerWaalsContact CB-OG1 3.3Å; P163-T169 WeakPolarHBondContact CB-OG1 3.37Å; P163-T169 PolarHBondContact O-OG1 3Å; P163-Y170 HydrophobicContact CB-CD2 4.18Å; P163-Y170 HydrophobicContact CB-CE1 4.2Å; P163-Y170 HydrophobicContact CB-CE2 3.61Å; P163-F181 HydrophobicContact CB-CD2 3.81Å; P163-F181 HydrophobicContact CB-CE2 3.92Å; P163-F181 HydrophobicContact CG-CD2 4Å; P163-F181 HydrophobicContact CG-CE2 4.01Å; P163-F194 HydrophobicContact CG-CE2 4.22Å; P163-F194 HydrophobicContact CG-CZ 4.31Å |
| 164 | V | 70.6 | Confident | 80.5 | Confident | 62 Ų | 62 | 53 Ų | 53 | 38% | 0.376 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70 | -35 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | F106 F161 P162 Y170 | F106-V164 HydrophobicContact CB-CG2 4.4Å; F106-V164 HydrophobicContact CD2-CG2 3.55Å; F106-V164 HydrophobicContact CE2-CG2 4.22Å; F106-V164 HydrophobicContact CG-CG2 4.28Å; F161-V164 WeakPolarHBondContact O-CA 3.34Å; F161-V164 WeakPolarHBondContact O-CB 3.3Å; F161-V164 PolarHBondContact O-N 3.48Å; P162-V164 PolarHBondContact O-N 3.2Å; P162-V164 VanDerWaalsContact O-N 3.15Å; V164-Y170 HydrophobicContact CG2-CD2 4.25Å; V164-Y170 HydrophobicContact CG2-CE2 3.67Å |
| 165 | L | 68.7 | Low | 79.8 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 60% | 0.602 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76.4 | -33.1 | -177.7 | -61.6 | 179.9 | 0 | 0 | 0 | 112.3 | F161 P162 V167 | F161-L165 HydrophobicContact CD1-CD1 4Å; F161-L165 HydrophobicContact CD1-CG 4.1Å; F161-L165 HydrophobicContact CE1-CD1 3.66Å; F161-L165 HydrophobicContact CE1-CD2 3.68Å; F161-L165 HydrophobicContact CE1-CG 3.72Å; F161-L165 HydrophobicContact CZ-CD2 3.81Å; F161-L165 HydrophobicContact CZ-CG 4.28Å; P162-L165 PolarHBondContact O-N 2.7Å; P162-L165 VanDerWaalsContact O-N 3.08Å; L165-V167 PolarHBondContact O-N 3Å |
| 166 | D | 65.6 | Low | 79.1 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -78.3 | 110.4 | 175.4 | -75.7 | -44.6 | 0 | 0 | 0 | 111 | P162 G168 T169 | P162-D166 PolarHBondContact O-N 2.9Å; D166-G168 PolarHBondContact O-N 3.15Å; D166-T169 HydrophobicContact CB-CG2 3.66Å; D166-T169 PolarHBondContact O-N 2.95Å |
| 167 | V | 57.3 | Low | 78.6 | Confident | 141 Ų | 141 | 50.5 Ų | 50.5 | 86% | 0.855 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 101.3 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | L165 | L165-V167 PolarHBondContact O-N 3Š|
| 168 | G | 57.6 | Low | 78.3 | Confident | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115.2 | 12.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | D166 | D166-G168 PolarHBondContact O-N 3.15Š|
| 169 | T | 73.3 | Confident | 78 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -86.8 | -35.3 | 176.4 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | P163 D166 F181 Q182 | P163-T169 WeakPolarHBondContact CA-OG1 3.37Å; P163-T169 VanDerWaalsContact CB-OG1 3.3Å; P163-T169 WeakPolarHBondContact CB-OG1 3.37Å; P163-T169 PolarHBondContact O-OG1 3Å; D166-T169 HydrophobicContact CB-CG2 3.66Å; D166-T169 PolarHBondContact O-N 2.95Å; T169-F181 HydrophobicContact CG2-CE2 4.13Å; T169-Q182 PolarHBondContact O-N 2.87Å |
| 170 | Y | 83.7 | Confident | 77.9 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 110.2 | 171 | -72.2 | -50.6 | 0 | 0 | 0 | 110.6 | A105 F106 V109 A160 P163 V164 F181 | A105-Y170 HydrophobicContact CB-CD1 3.42Å; A105-Y170 VanDerWaalsContact CB-CD1 3.42Å; A105-Y170 HydrophobicContact CB-CE1 4.03Å; A105-Y170 HydrophobicContact CB-CG 3.75Å; F106-Y170 HydrophobicContact CB-CE2 4.36Å; V109-Y170 HydrophobicContact CG2-CE1 3.9Å; A160-Y170 PolarHBondContact O-OH 3.06Å; P163-Y170 HydrophobicContact CB-CD2 4.18Å; P163-Y170 HydrophobicContact CB-CE1 4.2Å; P163-Y170 HydrophobicContact CB-CE2 3.61Å; V164-Y170 HydrophobicContact CG2-CD2 4.25Å; V164-Y170 HydrophobicContact CG2-CE2 3.67Å; Y170-F181 HydrophobicContact CD1-CB 4.23Å; Y170-F181 HydrophobicContact CE1-CB 4.04Å; Y170-F181 HydrophobicContact CE1-CD2 4.44Å |
| 171 | T | 83.6 | Confident | 77.4 | Confident | 41 Ų | 41 | 47 Ų | 47 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.9 | -177.1 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | T180 | T171-T180 PolarHBondContact N-O 3.43Å; T171-T180 VanDerWaalsContact N-O 3.12Å; T171-T180 PolarHBondContact O-N 3.1Å; T171-T180 VanDerWaalsContact O-N 3.11Å |
| 172 | F | 85.5 | Confident | 76.9 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.6 | 169 | 179.4 | -102.6 | 0 | 0 | 0 | 109.9 | S87 S92 L94 P174 | S87-F172 WeakPolarHBondContact OG-CE2 3.27Å; S87-F172 WeakPolarHBondContact OG-CZ 3.45Å; S92-F172 WeakPolarHBondContact O-CE1 3.45Å; S92-F172 WeakPolarHBondContact O-CZ 3.42Å; L94-F172 HydrophobicContact CB-CB 4.47Å; L94-F172 HydrophobicContact CB-CD1 4.1Å; L94-F172 HydrophobicContact CB-CG 4.23Å; L94-F172 HydrophobicContact CD1-CB 4.1Å; L94-F172 HydrophobicContact CD1-CD2 4.44Å; L94-F172 HydrophobicContact CD1-CG 4.23Å; F172-P174 HydrophobicContact CD1-CG 4.21Å; F172-P174 HydrophobicContact CE1-CB 4.2Å; F172-P174 HydrophobicContact CE1-CG 3.98Å |
| 173 | I | 84.2 | Confident | 76.4 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 105.8 | 178.4 | -58 | -171.3 | 0 | 0 | 0 | 108.2 | E175 E176 D177 Q178 T180 | I173-E175 HydrophobicContact CG2-CB 4.37Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.18Å; I173-E175 PolarHBondContact O-N 2.94Å; I173-E176 HydrophobicContact CB-CB 4.37Å; I173-E176 HydrophobicContact CB-CG 4.48Å; I173-E176 HydrophobicContact CG2-CB 4.22Å; I173-E176 HydrophobicContact CG2-CG 3.92Å; I173-E176 PolarHBondContact O-N 3.47Å; I173-E176 VanDerWaalsContact O-N 3.08Å; I173-D177 PolarHBondContact O-N 3.06Å; I173-Q178 PolarHBondContact N-O 3.09Å; I173-T180 HydrophobicContact CB-CG2 4.46Å; I173-T180 HydrophobicContact CD1-CG2 3.4Å; I173-T180 HydrophobicContact CG1-CG2 3.93Å |
| 174 | P | 81.4 | Confident | 75.8 | Confident | 66 Ų | 66 | 54 Ų | 54 | 43% | 0.429 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -59 | -31.5 | -177.2 | -23.8 | 33.5 | 0 | 0 | 0 | 113.5 | F172 E176 D177 | F172-P174 HydrophobicContact CD1-CG 4.21Å; F172-P174 HydrophobicContact CE1-CB 4.2Å; F172-P174 HydrophobicContact CE1-CG 3.98Å; P174-E176 VanDerWaalsContact C-N 3.26Å; P174-E176 PolarHBondContact O-N 2.84Å; P174-D177 PolarHBondContact O-N 3.07Å |
| 175 | E | 81.6 | Confident | 75 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -71.5 | -20.1 | -179.9 | -58 | 78.5 | -171.7 | 0 | 0 | 113.6 | I173 L328 | I173-E175 HydrophobicContact CG2-CB 4.37Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.18Å; I173-E175 PolarHBondContact O-N 2.94Å; E175-L328 HydrophobicContact CB-CD2 3.69Å |
| 176 | E | 81.3 | Confident | 74.1 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -108 | -1.6 | 179.3 | -59.9 | -175.9 | -149.1 | 0 | 0 | 112.4 | I173 P174 Q178 Y308 R315 L328 V332 | I173-E176 HydrophobicContact CB-CB 4.37Å; I173-E176 HydrophobicContact CB-CG 4.48Å; I173-E176 HydrophobicContact CG2-CB 4.22Å; I173-E176 HydrophobicContact CG2-CG 3.92Å; I173-E176 PolarHBondContact O-N 3.47Å; I173-E176 VanDerWaalsContact O-N 3.08Å; P174-E176 VanDerWaalsContact C-N 3.26Å; P174-E176 PolarHBondContact O-N 2.84Å; E176-Q178 HydrophobicContact CB-CG 3.76Å; E176-Q178 PolarHBondContact O-N 3.25Å; E176-Q178 PolarHBondContact OE2-NE2 3.35Å; E176-Y308 WeakPolarHBondContact OE2-CE2 3.36Å; E176-Y308 PolarHBondContact OE2-OH 3.21Å; E176-R315 IonicContact OE1-CZ 3.61Å; E176-R315 IonicContact OE1-NH1 2.69Å; E176-R315 PolarHBondContact OE1-NH1 2.69Å; E176-R315 IonicContact OE1-NH2 3.88Å; E176-L328 HydrophobicContact CG-CD1 4.2Å; E176-L328 HydrophobicContact CG-CD2 3.92Å; E176-L328 HydrophobicContact CG-CG 4.18Å; E176-V332 HydrophobicContact CB-CG2 4.11Å; E176-V332 HydrophobicContact CG-CG2 3.9Å |
| 177 | D | 82.8 | Confident | 73.3 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 20 | -176.7 | -57.5 | -61.1 | 0 | 0 | 0 | 113.9 | K30 V84 V88 S92 I173 P174 | K30-D177 IonicContact NZ-OD2 2.69Å; K30-D177 PolarHBondContact NZ-OD2 3.2Å; V84-D177 HydrophobicContact CG1-CB 4.29Å; V88-D177 HydrophobicContact CG2-CB 3.64Å; S92-D177 VanDerWaalsContact CB-OD1 3.26Å; S92-D177 WeakPolarHBondContact CB-OD1 3.42Å; S92-D177 PolarHBondContact OG-OD1 3.01Å; I173-D177 PolarHBondContact O-N 3.06Å; P174-D177 PolarHBondContact O-N 3.07Å |
| 178 | Q | 87.3 | Confident | 73.1 | Confident | 28 Ų | 28 | 56 Ų | 56 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.4 | -172 | 70 | -178.9 | -27.8 | 0 | 0 | 113.3 | V84 I173 E176 T180 F336 | V84-Q178 HydrophobicContact CG2-CB 3.85Å; I173-Q178 PolarHBondContact N-O 3.09Å; E176-Q178 HydrophobicContact CB-CG 3.76Å; E176-Q178 PolarHBondContact O-N 3.25Å; E176-Q178 PolarHBondContact OE2-NE2 3.35Å; Q178-T180 HydrophobicContact CG-CG2 4.29Å; Q178-F336 VanDerWaalsContact OE1-CE1 3.26Å; Q178-F336 VanDerWaalsContact OE1-CZ 3.25Å |
| 179 | C | 85.5 | Confident | 73.1 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 14% | 0.142 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.5 | 167.4 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | C101 A105 | C101-C179 WeakPolarHBondContact CA-SG 3.41Å; C101-C179 HydrophobicContact CB-CB 4.09Å; C101-C179 WeakPolarHBondContact CB-SG 3.3Å; C101-C179 VanDerWaalsContact O-CB 3.29Å; C101-C179 WeakPolarHBondContact O-CB 3.38Å; C101-C179 WeakPolarHBondContact SG-CB 3.48Å; C101-C179 CovalentContact SG-SG 2.03Å; C101-C179 PolarHBondContact SG-SG 3.43Å; A105-C179 WeakPolarHBondContact CA-O 3.27Å; A105-C179 HydrophobicContact CB-CB 4.06Å; A105-C179 WeakPolarHBondContact CB-O 3.43Å |
| 180 | T | 83.4 | Confident | 72.5 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 176.8 | -178.4 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | T171 I173 Q178 Q182 | T171-T180 PolarHBondContact N-O 3.43Å; T171-T180 VanDerWaalsContact N-O 3.12Å; T171-T180 PolarHBondContact O-N 3.1Å; T171-T180 VanDerWaalsContact O-N 3.11Å; I173-T180 HydrophobicContact CB-CG2 4.46Å; I173-T180 HydrophobicContact CD1-CG2 3.4Å; I173-T180 HydrophobicContact CG1-CG2 3.93Å; Q178-T180 HydrophobicContact CG-CG2 4.29Å; T180-Q182 PolarHBondContact O-N 3.19Å |
| 181 | F | 77.1 | Confident | 71.6 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.6 | 175.5 | -178.6 | -94.7 | 0 | 0 | 0 | 110.5 | P163 T169 Y170 H183 S191 | P163-F181 HydrophobicContact CB-CD2 3.81Å; P163-F181 HydrophobicContact CB-CE2 3.92Å; P163-F181 HydrophobicContact CG-CD2 4Å; P163-F181 HydrophobicContact CG-CE2 4.01Å; T169-F181 HydrophobicContact CG2-CE2 4.13Å; Y170-F181 HydrophobicContact CD1-CB 4.23Å; Y170-F181 HydrophobicContact CE1-CB 4.04Å; Y170-F181 HydrophobicContact CE1-CD2 4.44Å; F181-H183 PolarHBondContact O-CE1 3.14Å; F181-H183 PolarHBondContact O-N 3.36Å; F181-H183 PolarHBondContact O-ND1 3.44Å; F181-S191 VanDerWaalsContact CE1-CB 3.47Å |
| 182 | Q | 73.9 | Confident | 71 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | trans | -71.1 | 113 | 175.8 | -165.9 | 178.2 | 13.2 | 0 | 0 | 109.9 | T169 T180 R184 | T169-Q182 PolarHBondContact O-N 2.87Å; T180-Q182 PolarHBondContact O-N 3.19Å; Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 3.46Å | ||
| 183 | H | 68 | Low | 70.4 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 12% | 0.12 | 32% | 0.323 | C | S | . | . | trans | -72 | 79.9 | 175.7 | -59.5 | 88.2 | 0 | 0 | 0 | 110.1 | F181 C312 R315 V316 | F181-H183 PolarHBondContact O-CE1 3.14Å; F181-H183 PolarHBondContact O-N 3.36Å; F181-H183 PolarHBondContact O-ND1 3.44Å; H183-C312 PolarHBondContact CE1-SG 3.13Å; H183-C312 PolarHBondContact NE2-SG 2.92Å; H183-R315 HydrophobicContact CB-CB 4.37Å; H183-V316 HydrophobicContact CB-CG2 4.45Å | ||
| 184 | R | 60.3 | Low | 70 | Confident | 183 Ų | 183 | 65.6 Ų | 65.6 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | trans | -74.7 | 138.8 | 178.4 | -157.1 | 169.3 | -170.9 | 167.6 | 1.9 | 110.2 | Q182 | Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 3.46Å | ||
| 185 | S | 52.4 | Low | 69.9 | Low | 53 Ų | 53 | 63.3 Ų | 63.3 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | trans | -58.5 | 144.7 | 180 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | R187 | S185-R187 PolarHBondContact O-N 3.19Š| ||
| 186 | F | 50.6 | Low | 70 | Confident | 103 Ų | 103 | 63 Ų | 63 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -11.1 | -18.1 | 179 | -169.4 | -101.8 | 0 | 0 | 0 | 122 | A188 L192 | F186-A188 VanDerWaalsContact C-N 3.35Å; F186-A188 PolarHBondContact O-N 2.97Å; F186-L192 HydrophobicContact CD2-CD1 4.32Å; F186-L192 HydrophobicContact CE2-CD1 4.4Å |
| 187 | R | 48.8 | Very low | 70.3 | Confident | 247 Ų | 247 | 65.1 Ų | 65.1 | 93% | 0.932 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -81.6 | -2.9 | -170.7 | -153.3 | 171.8 | -177.8 | 165.6 | 0.6 | 115.1 | S185 | S185-R187 PolarHBondContact O-N 3.19Š|
| 188 | A | 53.6 | Low | 70.5 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -121.9 | 117.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | F186 D190 | F186-A188 VanDerWaalsContact C-N 3.35Å; F186-A188 PolarHBondContact O-N 2.97Å; A188-D190 PolarHBondContact O-N 3.45Å |
| 189 | N | 56.1 | Low | 70.7 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.4 | -171.5 | -83.7 | -10 | 0 | 0 | 0 | 114.3 | ||
| 190 | D | 61.8 | Low | 71 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -82.9 | -33.7 | -165.1 | -50.5 | -45.3 | 0 | 0 | 0 | 113.6 | A188 F194 | A188-D190 PolarHBondContact O-N 3.45Å; D190-F194 WeakPolarHBondContact O-CD2 3.4Å; D190-F194 WeakPolarHBondContact O-CE2 3.35Å |
| 191 | S | 65.2 | Low | 71.5 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.9 | -34.9 | -178.8 | 59 | 0 | 0 | 0 | 0 | 113.8 | F181 G193 M195 | F181-S191 VanDerWaalsContact CE1-CB 3.47Å; S191-G193 VanDerWaalsContact C-N 3.35Å; S191-M195 PolarHBondContact O-N 3.08Å |
| 192 | L | 69.9 | Low | 72.2 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70 | -34.5 | -179.5 | -177.3 | 146.5 | 0 | 0 | 0 | 111.1 | F186 M195 L196 V316 F317 | F186-L192 HydrophobicContact CD2-CD1 4.32Å; F186-L192 HydrophobicContact CE2-CD1 4.4Å; L192-M195 PolarHBondContact O-N 3.4Å; L192-L196 HydrophobicContact CD2-CD1 3.33Å; L192-L196 HydrophobicContact CD2-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 4.28Å; L192-L196 HydrophobicContact CG-CG 4.36Å; L192-L196 VanDerWaalsContact O-CB 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.4Å; L192-V316 HydrophobicContact CD1-CG1 4.46Å; L192-F317 HydrophobicContact CD1-CE1 4.21Å; L192-F317 HydrophobicContact CD1-CZ 3.95Å |
| 193 | G | 74.3 | Confident | 73.2 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | S191 M195 L196 L197 | S191-G193 VanDerWaalsContact C-N 3.35Å; G193-M195 PolarHBondContact O-N 3.41Å; G193-L196 PolarHBondContact O-N 3.24Å; G193-L197 VanDerWaalsContact O-CB 3.3Å; G193-L197 WeakPolarHBondContact O-CB 3.3Å; G193-L197 PolarHBondContact O-N 2.91Å |
| 194 | F | 75.8 | Confident | 74.5 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 18% | 0.18 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.6 | -70.1 | -70.1 | 0 | 0 | 0 | 112.6 | F113 M159 P162 P163 D190 L197 L198 | F113-F194 HydrophobicContact CZ-CB 4.44Å; F113-F194 HydrophobicContact CZ-CD1 4.32Å; M159-F194 WeakPolarHBondContact O-CE1 3.34Å; P162-F194 HydrophobicContact CB-CZ 3.78Å; P162-F194 HydrophobicContact CG-CE1 4.27Å; P162-F194 HydrophobicContact CG-CZ 3.82Å; P163-F194 HydrophobicContact CG-CE2 4.22Å; P163-F194 HydrophobicContact CG-CZ 4.31Å; D190-F194 WeakPolarHBondContact O-CD2 3.4Å; D190-F194 WeakPolarHBondContact O-CE2 3.35Å; F194-L197 PolarHBondContact O-N 2.89Å; F194-L198 PolarHBondContact O-N 3.33Å |
| 195 | M | 79 | Confident | 76.1 | Confident | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 179.7 | -66.3 | -60.3 | -58.6 | 0 | 0 | 111.7 | S191 L192 G193 L198 A199 L309 C312 Y313 | S191-M195 PolarHBondContact O-N 3.08Å; L192-M195 PolarHBondContact O-N 3.4Å; G193-M195 PolarHBondContact O-N 3.41Å; M195-L198 PolarHBondContact O-N 3.17Å; M195-A199 WeakPolarHBondContact O-CB 3.41Å; M195-A199 PolarHBondContact O-N 2.93Å; M195-L309 HydrophobicContact CE-CD2 3.87Å; M195-C312 HydrophobicContact CE-CB 3.23Å; M195-C312 HydrophobicContact SD-CB 4.14Å; M195-Y313 HydrophobicContact CB-CE1 4.05Å; M195-Y313 HydrophobicContact CB-CE2 4.47Å; M195-Y313 HydrophobicContact CE-CD2 4.37Å; M195-Y313 HydrophobicContact CE-CE2 4.26Å; M195-Y313 PolarHBondContact O-OH 2.91Å |
| 196 | L | 83.8 | Confident | 78.1 | Confident | 88 Ų | 88 | 60 Ų | 60 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.4 | -79.5 | -174.3 | 0 | 0 | 0 | 111.7 | L192 G193 A199 L200 Y313 | L192-L196 HydrophobicContact CD2-CD1 3.33Å; L192-L196 HydrophobicContact CD2-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 4.28Å; L192-L196 HydrophobicContact CG-CG 4.36Å; L192-L196 VanDerWaalsContact O-CB 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.4Å; G193-L196 PolarHBondContact O-N 3.24Å; L196-A199 PolarHBondContact O-N 3.27Å; L196-L200 VanDerWaalsContact O-CB 3.3Å; L196-L200 WeakPolarHBondContact O-CB 3.41Å; L196-L200 PolarHBondContact O-N 3.35Å; L196-Y313 VanDerWaalsContact CA-OH 3.23Å; L196-Y313 WeakPolarHBondContact CA-OH 3.38Å; L196-Y313 HydrophobicContact CD2-CE1 4.28Å; L196-Y313 PolarHBondContact N-OH 3.46Å |
| 197 | L | 86.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 178.2 | 179.2 | 64.6 | 0 | 0 | 0 | 111.2 | M159 G193 F194 A199 L200 I201 | M159-L197 HydrophobicContact CE-CD2 3.4Å; M159-L197 HydrophobicContact CG-CD2 4.15Å; M159-L197 HydrophobicContact SD-CD2 3.27Å; M159-L197 WeakPolarHBondContact SD-CD2 3.27Å; G193-L197 VanDerWaalsContact O-CB 3.3Å; G193-L197 WeakPolarHBondContact O-CB 3.3Å; G193-L197 PolarHBondContact O-N 2.91Å; F194-L197 PolarHBondContact O-N 2.89Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.29Å; L197-L200 WeakPolarHBondContact O-CB 3.25Å; L197-L200 PolarHBondContact O-N 3.38Å; L197-I201 HydrophobicContact CD1-CD1 4.05Å; L197-I201 HydrophobicContact CD1-CG1 4.32Å; L197-I201 HydrophobicContact CG-CD1 3.83Å; L197-I201 WeakPolarHBondContact O-CD1 3.38Å; L197-I201 VanDerWaalsContact O-CG1 3.29Å; L197-I201 WeakPolarHBondContact O-CG1 3.3Å; L197-I201 PolarHBondContact O-N 3.09Å |
| 198 | L | 88 | Confident | 82.4 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 176.5 | -177.1 | 57 | 0 | 0 | 0 | 111.1 | F113 A116 F194 M195 L200 I201 L202 L309 | F113-L198 HydrophobicContact CD1-CD1 4.28Å; F113-L198 HydrophobicContact CE1-CB 3.95Å; F113-L198 HydrophobicContact CE1-CD1 4.21Å; F113-L198 HydrophobicContact CZ-CB 4.4Å; A116-L198 HydrophobicContact CB-CD1 3.73Å; F194-L198 PolarHBondContact O-N 3.33Å; M195-L198 PolarHBondContact O-N 3.17Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-L200 PolarHBondContact O-N 3.13Å; L198-I201 PolarHBondContact O-N 3.03Å; L198-L202 HydrophobicContact CG-CD1 4.44Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.18Å; L198-L202 PolarHBondContact O-N 2.7Å; L198-L309 HydrophobicContact CD2-CD2 3.59Å; L198-L309 HydrophobicContact CG-CD2 4.25Å |
| 199 | A | 90.4 | Very high | 84.3 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M195 L196 L197 L202 L203 Y313 | M195-A199 WeakPolarHBondContact O-CB 3.41Å; M195-A199 PolarHBondContact O-N 2.93Å; L196-A199 PolarHBondContact O-N 3.27Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.29Å; A199-L202 PolarHBondContact O-N 3.09Å; A199-L203 WeakPolarHBondContact O-CB 3.36Å; A199-L203 PolarHBondContact O-N 3.24Å; A199-Y313 HydrophobicContact CB-CE2 4.25Å; A199-Y313 WeakPolarHBondContact CB-OH 3.44Å |
| 200 | L | 92.4 | Very high | 86 | Confident | 106 Ų | 106 | 44.7 Ų | 44.7 | 56% | 0.555 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 177.2 | -179 | 70 | 0 | 0 | 0 | 111.5 | L196 L197 L198 L202 L203 A204 | L196-L200 VanDerWaalsContact O-CB 3.3Å; L196-L200 WeakPolarHBondContact O-CB 3.41Å; L196-L200 PolarHBondContact O-N 3.35Å; L197-L200 WeakPolarHBondContact O-CB 3.25Å; L197-L200 PolarHBondContact O-N 3.38Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-L200 PolarHBondContact O-N 3.13Å; L200-L202 VanDerWaalsContact C-N 3.35Å; L200-L203 PolarHBondContact O-N 3.2Å; L200-A204 VanDerWaalsContact O-CB 3.25Å; L200-A204 WeakPolarHBondContact O-CB 3.39Å; L200-A204 PolarHBondContact O-N 3.01Å |
| 201 | I | 94.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.4 | -67 | 157.4 | 0 | 0 | 0 | 110.4 | A116 F117 F120 L197 L198 A204 T205 | A116-I201 HydrophobicContact CB-CG2 4.28Å; F117-I201 HydrophobicContact CD1-CD1 3.87Å; F117-I201 HydrophobicContact CD1-CG1 4.41Å; F117-I201 HydrophobicContact CD1-CG2 4.34Å; F117-I201 HydrophobicContact CE1-CD1 3.19Å; F117-I201 HydrophobicContact CE1-CG1 3.93Å; F117-I201 HydrophobicContact CE2-CD1 4.39Å; F117-I201 HydrophobicContact CZ-CD1 3.49Å; F117-I201 VanDerWaalsContact CZ-CD1 3.49Å; F120-I201 HydrophobicContact CB-CG2 4.27Å; L197-I201 HydrophobicContact CD1-CD1 4.05Å; L197-I201 HydrophobicContact CD1-CG1 4.32Å; L197-I201 HydrophobicContact CG-CD1 3.83Å; L197-I201 WeakPolarHBondContact O-CD1 3.38Å; L197-I201 VanDerWaalsContact O-CG1 3.29Å; L197-I201 WeakPolarHBondContact O-CG1 3.3Å; L197-I201 PolarHBondContact O-N 3.09Å; L198-I201 PolarHBondContact O-N 3.03Å; I201-A204 PolarHBondContact O-N 2.77Å; I201-T205 WeakPolarHBondContact O-CB 3.43Å; I201-T205 PolarHBondContact O-N 3.49Å; I201-T205 PolarHBondContact O-OG1 3.11Å |
| 202 | L | 92.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.3 | -64.9 | 177.6 | 0 | 0 | 0 | 111.5 | A116 L198 A199 L200 T205 Q206 F301 L309 | A116-L202 HydrophobicContact CB-CD2 4.29Å; L198-L202 HydrophobicContact CG-CD1 4.44Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.18Å; L198-L202 PolarHBondContact O-N 2.7Å; A199-L202 PolarHBondContact O-N 3.09Å; L200-L202 VanDerWaalsContact C-N 3.35Å; L202-T205 WeakPolarHBondContact O-CB 3.42Å; L202-T205 PolarHBondContact O-N 3.44Å; L202-Q206 WeakPolarHBondContact O-CG 3.3Å; L202-Q206 PolarHBondContact O-N 2.94Å; L202-F301 HydrophobicContact CD1-CE1 4.23Å; L202-F301 HydrophobicContact CD2-CD1 3.83Å; L202-F301 HydrophobicContact CD2-CE1 3.44Å; L202-F301 VanDerWaalsContact CD2-CE1 3.44Å; L202-F301 HydrophobicContact CG-CE1 4.47Å; L202-L309 HydrophobicContact CD1-CD1 3.44Å; L202-L309 VanDerWaalsContact CD1-CD1 3.44Å |
| 203 | L | 93.3 | Very high | 89.8 | Confident | 101 Ų | 101 | 47.1 Ų | 47.1 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 174.6 | -179.2 | 65.1 | 0 | 0 | 0 | 111.3 | A199 L200 T205 Q206 L207 | A199-L203 WeakPolarHBondContact O-CB 3.36Å; A199-L203 PolarHBondContact O-N 3.24Å; L200-L203 PolarHBondContact O-N 3.2Å; L203-T205 VanDerWaalsContact C-N 3.26Å; L203-T205 PolarHBondContact O-N 3.3Å; L203-Q206 WeakPolarHBondContact O-CB 3.29Å; L203-Q206 PolarHBondContact O-N 2.92Å; L203-L207 HydrophobicContact CG-CD1 4.33Å; L203-L207 WeakPolarHBondContact O-CG 3.39Å; L203-L207 PolarHBondContact O-N 2.9Å |
| 204 | A | 95.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F120 L200 I201 Q206 L207 V208 | F120-A204 HydrophobicContact CD2-CB 4.37Å; F120-A204 HydrophobicContact CE2-CB 4.05Å; L200-A204 VanDerWaalsContact O-CB 3.25Å; L200-A204 WeakPolarHBondContact O-CB 3.39Å; L200-A204 PolarHBondContact O-N 3.01Å; I201-A204 PolarHBondContact O-N 2.77Å; A204-Q206 PolarHBondContact O-N 3.43Å; A204-L207 PolarHBondContact O-N 3.25Å; A204-V208 WeakPolarHBondContact O-CG2 3.43Å; A204-V208 PolarHBondContact O-N 3.35Å |
| 205 | T | 95.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | F120 I201 L202 L203 V208 Y209 T298 | F120-T205 WeakPolarHBondContact CA-OG1 3.44Å; F120-T205 WeakPolarHBondContact CB-OG1 3.49Å; I201-T205 WeakPolarHBondContact O-CB 3.43Å; I201-T205 PolarHBondContact O-N 3.49Å; I201-T205 PolarHBondContact O-OG1 3.11Å; L202-T205 WeakPolarHBondContact O-CB 3.42Å; L202-T205 PolarHBondContact O-N 3.44Å; L203-T205 VanDerWaalsContact C-N 3.26Å; L203-T205 PolarHBondContact O-N 3.3Å; T205-V208 PolarHBondContact O-N 3.15Å; T205-Y209 HydrophobicContact CG2-CD2 4.09Å; T205-Y209 HydrophobicContact CG2-CE2 3.98Å; T205-Y209 WeakPolarHBondContact O-CD2 3.44Å; T205-Y209 PolarHBondContact O-N 3.32Å; T205-Y209 VanDerWaalsContact O-N 3.15Å; T205-T298 HydrophobicContact CG2-CG2 3.61Å |
| 206 | Q | 92.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 15% | 0.15 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 176 | -62.1 | -52 | -35.5 | 0 | 0 | 112 | L202 L203 A204 V208 Y209 L210 L302 | L202-Q206 WeakPolarHBondContact O-CG 3.3Å; L202-Q206 PolarHBondContact O-N 2.94Å; L203-Q206 WeakPolarHBondContact O-CB 3.29Å; L203-Q206 PolarHBondContact O-N 2.92Å; A204-Q206 PolarHBondContact O-N 3.43Å; Q206-V208 VanDerWaalsContact C-N 3.32Å; Q206-V208 PolarHBondContact O-N 3.47Å; Q206-Y209 PolarHBondContact O-N 3.34Å; Q206-L210 WeakPolarHBondContact O-CB 3.34Å; Q206-L210 VanDerWaalsContact O-CG 3.31Å; Q206-L210 WeakPolarHBondContact O-CG 3.33Å; Q206-L210 PolarHBondContact O-N 3.49Å; Q206-L302 HydrophobicContact CG-CD2 4.13Å |
| 207 | L | 94.9 | Very high | 91.9 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 177.4 | -66.8 | 177 | 0 | 0 | 0 | 112.1 | L203 A204 L210 K211 | L203-L207 HydrophobicContact CG-CD1 4.33Å; L203-L207 WeakPolarHBondContact O-CG 3.39Å; L203-L207 PolarHBondContact O-N 2.9Å; A204-L207 PolarHBondContact O-N 3.25Å; L207-L210 HydrophobicContact CD2-CD1 4.41Å; L207-L210 PolarHBondContact O-N 3.13Å; L207-K211 WeakPolarHBondContact O-CB 3.2Å; L207-K211 PolarHBondContact O-N 3.35Å |
| 208 | V | 95.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | F120 S123 V124 A204 T205 Q206 K211 L212 | F120-V208 HydrophobicContact CE2-CG2 4.15Å; S123-V208 WeakPolarHBondContact OG-CG1 3.43Å; V124-V208 HydrophobicContact CG2-CG1 4.41Å; V124-V208 HydrophobicContact CG2-CG2 4.44Å; A204-V208 WeakPolarHBondContact O-CG2 3.43Å; A204-V208 PolarHBondContact O-N 3.35Å; T205-V208 PolarHBondContact O-N 3.15Å; Q206-V208 VanDerWaalsContact C-N 3.32Å; Q206-V208 PolarHBondContact O-N 3.47Å; V208-K211 PolarHBondContact O-N 3.3Å; V208-L212 PolarHBondContact O-N 2.97Å |
| 209 | Y | 92.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 176.3 | -84.3 | -63.2 | 0 | 0 | 0 | 113.1 | T205 Q206 K211 L212 I213 Y295 T298 | T205-Y209 HydrophobicContact CG2-CD2 4.09Å; T205-Y209 HydrophobicContact CG2-CE2 3.98Å; T205-Y209 WeakPolarHBondContact O-CD2 3.44Å; T205-Y209 PolarHBondContact O-N 3.32Å; T205-Y209 VanDerWaalsContact O-N 3.15Å; Q206-Y209 PolarHBondContact O-N 3.34Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-L212 HydrophobicContact CD1-CD2 4.18Å; Y209-L212 HydrophobicContact CE1-CD2 4.47Å; Y209-L212 WeakPolarHBondContact O-CB 3.33Å; Y209-L212 PolarHBondContact O-N 2.85Å; Y209-I213 VanDerWaalsContact O-CG1 3.32Å; Y209-I213 WeakPolarHBondContact O-CG1 3.46Å; Y209-I213 PolarHBondContact O-N 2.96Å; Y209-Y295 AromaticContact CD1-CD2 3.71Å; Y209-Y295 HydrophobicContact CD1-CD2 3.71Å; Y209-Y295 HydrophobicContact CD1-CG 4.38Å; Y209-Y295 HydrophobicContact CD2-CD2 4.33Å; Y209-Y295 HydrophobicContact CE1-CD2 4.29Å; Y209-Y295 AromaticContact CG-CD2 3.74Å; Y209-Y295 HydrophobicContact CG-CD2 3.74Å; Y209-Y295 HydrophobicContact CG-CE2 4.41Å; Y209-T298 HydrophobicContact CD2-CG2 4.17Å; Y209-T298 HydrophobicContact CE2-CG2 3.81Å; Y209-T298 WeakPolarHBondContact CE2-OG1 3.46Å; Y209-T298 PolarHBondContact OH-OG1 2.97Å |
| 210 | L | 92.9 | Very high | 90.9 | Very high | 81 Ų | 81 | 67.4 Ų | 67.4 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 173.9 | -72.4 | 172.4 | 0 | 0 | 0 | 110.4 | Q206 L207 L212 I213 F214 | Q206-L210 WeakPolarHBondContact O-CB 3.34Å; Q206-L210 VanDerWaalsContact O-CG 3.31Å; Q206-L210 WeakPolarHBondContact O-CG 3.33Å; Q206-L210 PolarHBondContact O-N 3.49Å; L207-L210 HydrophobicContact CD2-CD1 4.41Å; L207-L210 PolarHBondContact O-N 3.13Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 2.96Å; L210-I213 PolarHBondContact O-N 3.31Å; L210-I213 VanDerWaalsContact O-N 3.1Å; L210-F214 HydrophobicContact CB-CE2 4.46Å; L210-F214 WeakPolarHBondContact O-CD2 3.49Å; L210-F214 PolarHBondContact O-N 3.47Å |
| 211 | K | 94.2 | Very high | 89.7 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 53% | 0.53 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.8 | -43.5 | 174 | -172.6 | -173.8 | -178.1 | -178.7 | 0 | 111.8 | Y127 L207 V208 Y209 F215 | Y127-K211 HydrophobicContact CE2-CD 3.88Å; Y127-K211 HydrophobicContact CE2-CG 4.03Å; Y127-K211 VanDerWaalsContact OH-CE 3.29Å; Y127-K211 WeakPolarHBondContact OH-CE 3.36Å; Y127-K211 PolarHBondContact OH-NZ 2.76Å; L207-K211 WeakPolarHBondContact O-CB 3.2Å; L207-K211 PolarHBondContact O-N 3.35Å; V208-K211 PolarHBondContact O-N 3.3Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; K211-F215 WeakPolarHBondContact O-CB 3.49Å; K211-F215 PolarHBondContact O-N 3.43Å |
| 212 | L | 91.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.6 | 172.1 | 63.6 | 0 | 0 | 0 | 112 | R126 Y127 I130 V208 Y209 L210 F215 V216 | R126-L212 HydrophobicContact CB-CD2 4.4Å; Y127-L212 HydrophobicContact CD2-CB 4.24Å; I130-L212 HydrophobicContact CB-CD1 3.87Å; I130-L212 HydrophobicContact CD1-CD1 3.68Å; I130-L212 HydrophobicContact CD1-CD2 4.29Å; I130-L212 HydrophobicContact CD1-CG 4.49Å; I130-L212 HydrophobicContact CG1-CD1 4.32Å; I130-L212 HydrophobicContact CG2-CD1 3.97Å; V208-L212 PolarHBondContact O-N 2.97Å; Y209-L212 HydrophobicContact CD1-CD2 4.18Å; Y209-L212 HydrophobicContact CE1-CD2 4.47Å; Y209-L212 WeakPolarHBondContact O-CB 3.33Å; Y209-L212 PolarHBondContact O-N 2.85Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 2.96Å; L212-F215 PolarHBondContact O-N 2.9Å; L212-V216 HydrophobicContact CD1-CG2 4.03Å; L212-V216 VanDerWaalsContact O-CG2 3.32Å; L212-V216 WeakPolarHBondContact O-CG2 3.39Å; L212-V216 PolarHBondContact O-N 3.34Å |
| 213 | I | 90.6 | Very high | 86.3 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 180 | -69.2 | 165.6 | 0 | 0 | 0 | 110.6 | Y209 L210 V216 H217 Y295 | Y209-I213 VanDerWaalsContact O-CG1 3.32Å; Y209-I213 WeakPolarHBondContact O-CG1 3.46Å; Y209-I213 PolarHBondContact O-N 2.96Å; L210-I213 PolarHBondContact O-N 3.31Å; L210-I213 VanDerWaalsContact O-N 3.1Å; I213-V216 PolarHBondContact O-N 3.32Å; I213-H217 WeakPolarHBondContact O-CB 3.47Å; I213-H217 PolarHBondContact O-N 3.23Å; I213-Y295 HydrophobicContact CD1-CE2 3.96Å |
| 214 | F | 91.3 | Very high | 84.7 | Confident | 147 Ų | 147 | 82.6 Ų | 82.6 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 175.9 | -76.3 | -62.9 | 0 | 0 | 0 | 111.6 | L210 V216 H217 D218 | L210-F214 HydrophobicContact CB-CE2 4.46Å; L210-F214 WeakPolarHBondContact O-CD2 3.49Å; L210-F214 PolarHBondContact O-N 3.47Å; F214-V216 VanDerWaalsContact C-N 3.34Å; F214-V216 PolarHBondContact O-N 2.86Å; F214-H217 PolarHBondContact O-N 3.49Å; F214-H217 VanDerWaalsContact O-N 3.15Å; F214-D218 WeakPolarHBondContact O-CB 3.41Å; F214-D218 PolarHBondContact O-N 3.07Å |
| 215 | F | 90.3 | Very high | 82.6 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.1 | -178.9 | -93.1 | 0 | 0 | 0 | 112.3 | I130 A131 K211 L212 R219 | I130-F215 HydrophobicContact CG2-CD1 4.21Å; I130-F215 HydrophobicContact CG2-CE1 4.21Å; A131-F215 HydrophobicContact CB-CD1 4.18Å; A131-F215 HydrophobicContact CB-CE1 3.83Å; A131-F215 HydrophobicContact CB-CE2 4.17Å; A131-F215 HydrophobicContact CB-CZ 3.81Å; K211-F215 WeakPolarHBondContact O-CB 3.49Å; K211-F215 PolarHBondContact O-N 3.43Å; L212-F215 PolarHBondContact O-N 2.9Å; F215-R219 HydrophobicContact CD1-CG 4.34Å; F215-R219 HydrophobicContact CE1-CG 4.03Å; F215-R219 HydrophobicContact CZ-CG 4.15Å; F215-R219 WeakPolarHBondContact O-CB 3.37Å; F215-R219 WeakPolarHBondContact O-CG 3.19Å; F215-R219 PolarHBondContact O-N 3.42Å; F215-R219 VanDerWaalsContact O-N 3.12Å |
| 216 | V | 87.8 | Confident | 80 | Confident | 18 Ų | 18 | 94.9 Ų | 94.9 | 11% | 0.109 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.6 | -33.4 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | I130 L212 I213 F214 R220 | I130-V216 HydrophobicContact CG2-CG2 3.8Å; L212-V216 HydrophobicContact CD1-CG2 4.03Å; L212-V216 VanDerWaalsContact O-CG2 3.32Å; L212-V216 WeakPolarHBondContact O-CG2 3.39Å; L212-V216 PolarHBondContact O-N 3.34Å; I213-V216 PolarHBondContact O-N 3.32Å; F214-V216 VanDerWaalsContact C-N 3.34Å; F214-V216 PolarHBondContact O-N 2.86Å; V216-R220 WeakPolarHBondContact O-CG 3.4Å; V216-R220 PolarHBondContact O-N 3.32Å |
| 217 | H | 87.3 | Confident | 77.9 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 44% | 0.44 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.4 | -45.4 | 176.6 | -175.2 | 86.8 | 0 | 0 | 0 | 111.3 | I213 F214 R219 R220 K221 | I213-H217 WeakPolarHBondContact O-CB 3.47Å; I213-H217 PolarHBondContact O-N 3.23Å; F214-H217 PolarHBondContact O-N 3.49Å; F214-H217 VanDerWaalsContact O-N 3.15Å; H217-R219 PolarHBondContact O-N 3.46Å; H217-R220 WeakPolarHBondContact O-CB 3.4Å; H217-R220 PolarHBondContact O-N 2.92Å; H217-R220 VanDerWaalsContact O-N 3.17Å; H217-K221 VanDerWaalsContact NE2-CE 3.33Å; H217-K221 WeakPolarHBondContact NE2-CE 3.45Å |
| 218 | D | 85.5 | Confident | 75.4 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.1 | -170.2 | 55.1 | 0 | 0 | 0 | 111.7 | F214 R220 K221 | F214-D218 WeakPolarHBondContact O-CB 3.41Å; F214-D218 PolarHBondContact O-N 3.07Å; D218-R220 VanDerWaalsContact C-N 3.26Å; D218-R220 PolarHBondContact O-N 3.15Å; D218-K221 WeakPolarHBondContact O-CB 3.32Å; D218-K221 PolarHBondContact O-N 3.41Å; D218-K221 VanDerWaalsContact O-N 3.11Å |
| 219 | R | 80.5 | Confident | 73.1 | Confident | 139 Ų | 139 | 103 Ų | 103 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -22 | 176.1 | -66.1 | -92.5 | 179.2 | -145.9 | 0.3 | 114.1 | F215 H217 K221 M222 | F215-R219 HydrophobicContact CD1-CG 4.34Å; F215-R219 HydrophobicContact CE1-CG 4.03Å; F215-R219 HydrophobicContact CZ-CG 4.15Å; F215-R219 WeakPolarHBondContact O-CB 3.37Å; F215-R219 WeakPolarHBondContact O-CG 3.19Å; F215-R219 PolarHBondContact O-N 3.42Å; F215-R219 VanDerWaalsContact O-N 3.12Å; H217-R219 PolarHBondContact O-N 3.46Å; R219-K221 VanDerWaalsContact C-N 3.27Å; R219-K221 PolarHBondContact O-N 3.3Å; R219-M222 HydrophobicContact CG-CE 4.07Å; R219-M222 VanDerWaalsContact NH1-CE 3.32Å; R219-M222 PolarHBondContact NH1-SD 3.16Å; R219-M222 VanDerWaalsContact NH1-SD 3.37Å; R219-M222 PolarHBondContact O-N 3.45Å |
| 220 | R | 76.7 | Confident | 70.8 | Confident | 156 Ų | 156 | 107.6 Ų | 107.6 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.7 | -23.8 | 174.2 | -90.6 | -172.3 | -92.2 | -146.9 | 3.2 | 112.9 | V216 H217 D218 M222 | V216-R220 WeakPolarHBondContact O-CG 3.4Å; V216-R220 PolarHBondContact O-N 3.32Å; H217-R220 WeakPolarHBondContact O-CB 3.4Å; H217-R220 PolarHBondContact O-N 2.92Å; H217-R220 VanDerWaalsContact O-N 3.17Å; D218-R220 VanDerWaalsContact C-N 3.26Å; D218-R220 PolarHBondContact O-N 3.15Å; R220-M222 VanDerWaalsContact C-N 3.27Å |
| 221 | K | 67.1 | Low | 68.6 | Low | 149 Ų | 149 | 108.3 Ų | 108.3 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.8 | 176.9 | -61.8 | -177.8 | 179.3 | 179.4 | 0 | 112.6 | H217 D218 R219 K223 | H217-K221 VanDerWaalsContact NE2-CE 3.33Å; H217-K221 WeakPolarHBondContact NE2-CE 3.45Å; D218-K221 WeakPolarHBondContact O-CB 3.32Å; D218-K221 PolarHBondContact O-N 3.41Å; D218-K221 VanDerWaalsContact O-N 3.11Å; R219-K221 VanDerWaalsContact C-N 3.27Å; R219-K221 PolarHBondContact O-N 3.3Å; K221-K223 PolarHBondContact O-N 3.19Å |
| 222 | M | 62.2 | Low | 66.3 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -74.5 | 119.8 | 177.2 | -58.3 | -175.7 | -166.8 | 0 | 0 | 109.7 | R219 R220 | R219-M222 HydrophobicContact CG-CE 4.07Å; R219-M222 VanDerWaalsContact NH1-CE 3.32Å; R219-M222 PolarHBondContact NH1-SD 3.16Å; R219-M222 VanDerWaalsContact NH1-SD 3.37Å; R219-M222 PolarHBondContact O-N 3.45Å; R220-M222 VanDerWaalsContact C-N 3.27Å |
| 223 | K | 54.1 | Low | 64.1 | Low | 194 Ų | 194 | 113.3 Ų | 113.3 | 84% | 0.843 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139.8 | 169.8 | -66.3 | -177.3 | -179.8 | -178.5 | 0 | 108.5 | K221 V225 | K221-K223 PolarHBondContact O-N 3.19Å; K223-V225 PolarHBondContact O-N 3.47Å |
| 224 | P | 58.8 | Low | 62 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 78% | 0.779 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.2 | 175.9 | 22.9 | -31.8 | 0 | 0 | 0 | 109 | Q226 | P224-Q226 PolarHBondContact O-N 3.22Š|
| 225 | V | 52.2 | Low | 60.1 | Low | 112 Ų | 112 | 116 Ų | 116 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | trans | -55.9 | 106.6 | -179.9 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | K223 F227 | K223-V225 PolarHBondContact O-N 3.47Å; V225-F227 HydrophobicContact CB-CE2 4.45Å; V225-F227 HydrophobicContact CG1-CD1 4.42Å; V225-F227 HydrophobicContact CG1-CD2 4.29Å; V225-F227 HydrophobicContact CG1-CE1 4.23Å; V225-F227 HydrophobicContact CG1-CE2 4.1Å; V225-F227 HydrophobicContact CG1-CG 4.46Å; V225-F227 HydrophobicContact CG1-CZ 4.07Å; V225-F227 PolarHBondContact O-N 2.92Å; V225-F227 VanDerWaalsContact O-N 3.15Å | ||
| 226 | Q | 41.3 | Very low | 58 | Low | 179 Ų | 179 | 118.9 Ų | 118.9 | 84% | 0.836 | 61% | 0.607 | S | S | * | * | trans | -75.9 | 100.1 | 171.9 | -127.5 | 167.7 | -16.8 | 0 | 0 | 105.6 | P224 V228 | P224-Q226 PolarHBondContact O-N 3.22Å; Q226-V228 VanDerWaalsContact C-N 3.28Å; Q226-V228 PolarHBondContact O-N 3.45Å | ||
| 227 | F | 47.6 | Very low | 55.9 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | trans | -67.4 | 95.4 | 170.7 | -70.6 | -82.4 | 0 | 0 | 0 | 107.1 | V225 P229 | V225-F227 HydrophobicContact CB-CE2 4.45Å; V225-F227 HydrophobicContact CG1-CD1 4.42Å; V225-F227 HydrophobicContact CG1-CD2 4.29Å; V225-F227 HydrophobicContact CG1-CE1 4.23Å; V225-F227 HydrophobicContact CG1-CE2 4.1Å; V225-F227 HydrophobicContact CG1-CG 4.46Å; V225-F227 HydrophobicContact CG1-CZ 4.07Å; V225-F227 PolarHBondContact O-N 2.92Å; V225-F227 VanDerWaalsContact O-N 3.15Å; F227-P229 WeakPolarHBondContact O-CD 3.38Å | ||
| 228 | V | 43 | Very low | 53.6 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | trans | -62.9 | 119.4 | 165.9 | -171.2 | 0 | 0 | 0 | 0 | 105.3 | Q226 A230 | Q226-V228 VanDerWaalsContact C-N 3.28Å; Q226-V228 PolarHBondContact O-N 3.45Å; V228-A230 PolarHBondContact O-N 3.15Å | ||
| 229 | P | 46.2 | Very low | 51.9 | Low | 62 Ų | 62 | 125.5 Ų | 125.5 | 40% | 0.403 | 64% | 0.642 | S | S | . | * | trans | -56 | 140.3 | 173.9 | 23.8 | -31 | 0 | 0 | 0 | 107.9 | F227 V231 F254 | F227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-V231 VanDerWaalsContact C-N 3.35Å; P229-V231 PolarHBondContact O-N 3.28Å; P229-F254 HydrophobicContact CG-CE1 4.47Å; P229-F254 HydrophobicContact CG-CE2 4.44Å; P229-F254 HydrophobicContact CG-CZ 4.11Å | ||
| 230 | A | 45.3 | Very low | 50.3 | Low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -61.6 | 100.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V228 S232 | V228-A230 PolarHBondContact O-N 3.15Å; A230-S232 PolarHBondContact O-N 2.96Å | ||
| 231 | V | 46 | Very low | 49.1 | Very low | 96 Ų | 96 | 121 Ų | 121 | 58% | 0.582 | 66% | 0.66 | S | S | * | * | trans | -88.7 | 98.5 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 106 | P229 Q233 | P229-V231 VanDerWaalsContact C-N 3.35Å; P229-V231 PolarHBondContact O-N 3.28Å; V231-Q233 PolarHBondContact O-N 3.4Å | ||
| 232 | S | 46.1 | Very low | 48.4 | Very low | 58 Ų | 58 | 114.5 Ų | 114.5 | 41% | 0.406 | 64% | 0.635 | S | S | . | * | trans | -70.9 | 120.7 | 167 | 65.6 | 0 | 0 | 0 | 0 | 107.9 | A230 N234 | A230-S232 PolarHBondContact O-N 2.96Å; S232-N234 PolarHBondContact O-N 3.31Å | ||
| 233 | Q | 47.2 | Very low | 48.1 | Very low | 181 Ų | 181 | 113.5 Ų | 113.5 | 85% | 0.846 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -68.9 | -20.3 | 173.6 | -71.5 | -168.2 | -25.8 | 0 | 0 | 112.4 | V231 | V231-Q233 PolarHBondContact O-N 3.4Š|
| 234 | N | 44.6 | Very low | 48.3 | Very low | 132 Ų | 132 | 104.5 Ų | 104.5 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -112.6 | 99.6 | 177.3 | -65.9 | -7 | 0 | 0 | 0 | 110 | S232 T236 | S232-N234 PolarHBondContact O-N 3.31Å; N234-T236 VanDerWaalsContact C-N 3.29Å; N234-T236 PolarHBondContact O-N 2.92Å |
| 235 | W | 51.4 | Low | 48.4 | Very low | 142 Ų | 142 | 104.9 Ų | 104.9 | 54% | 0.538 | 59% | 0.59 | S | S | . | * | trans | -77.4 | 78.7 | 172.9 | -62.1 | 88.7 | 0 | 0 | 0 | 110 | A246 N249 | W235-A246 HydrophobicContact CZ3-CB 4.22Å; W235-N249 HydrophobicContact CH2-CB 3.96Å | ||
| 236 | T | 47.3 | Very low | 48.8 | Very low | 110 Ų | 110 | 101.3 Ų | 101.3 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | trans | -124.9 | 65.6 | 166.8 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | N234 | N234-T236 VanDerWaalsContact C-N 3.29Å; N234-T236 PolarHBondContact O-N 2.92Å | ||
| 237 | F | 43.1 | Very low | 49.9 | Very low | 137 Ų | 137 | 93.5 Ų | 93.5 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | trans | -95.5 | 93.5 | 173.2 | -162.8 | -129 | 0 | 0 | 0 | 107.7 | A242 | F237-A242 HydrophobicContact CB-CB 4.02Å; F237-A242 HydrophobicContact CD1-CB 3.01Å; F237-A242 HydrophobicContact CE1-CB 3.55Å; F237-A242 HydrophobicContact CG-CB 3.76Å; F237-A242 WeakPolarHBondContact O-CB 3.27Å | ||
| 238 | H | 40.4 | Very low | 50.5 | Low | 176 Ų | 176 | 87.5 Ų | 87.5 | 82% | 0.815 | 52% | 0.516 | S | S | * | . | trans | -94.6 | 109.8 | 173.9 | -71.2 | -84.3 | 0 | 0 | 0 | 108.8 | ||||
| 239 | G | 49 | Very low | 51.5 | Low | 36 Ų | 36 | 84 Ų | 84 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 174.4 | 157.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G241 A242 | G239-G241 PolarHBondContact O-N 3.41Å; G239-A242 WeakPolarHBondContact O-CB 3.29Å; G239-A242 PolarHBondContact O-N 2.89Å |
| 240 | P | 47.2 | Very low | 52.3 | Low | 148 Ų | 148 | 85 Ų | 85 | 96% | 0.961 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -4.9 | -173 | -21.3 | 32.6 | 0 | 0 | 0 | 116.2 | ||
| 241 | G | 50.7 | Low | 53.1 | Low | 52 Ų | 52 | 87.2 Ų | 87.2 | 54% | 0.536 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 2.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G239 | G239-G241 PolarHBondContact O-N 3.41Š|
| 242 | A | 53 | Low | 54 | Low | 13 Ų | 13 | 85.5 Ų | 85.5 | 11% | 0.107 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -77.3 | -37.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | F237 G239 G244 A246 | F237-A242 HydrophobicContact CB-CB 4.02Å; F237-A242 HydrophobicContact CD1-CB 3.01Å; F237-A242 HydrophobicContact CE1-CB 3.55Å; F237-A242 HydrophobicContact CG-CB 3.76Å; F237-A242 WeakPolarHBondContact O-CB 3.27Å; G239-A242 WeakPolarHBondContact O-CB 3.29Å; G239-A242 PolarHBondContact O-N 2.89Å; A242-G244 PolarHBondContact O-N 3.37Å; A242-A246 PolarHBondContact O-N 3.41Å |
| 243 | S | 56.4 | Low | 54.6 | Low | 68 Ų | 68 | 86 Ų | 86 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -24.9 | -179.3 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | A247 | S243-A247 PolarHBondContact O-N 3.29Å |
| 244 | G | 58.5 | Low | 55.3 | Low | 6 Ų | 6 | 83.2 Ų | 83.2 | 6% | 0.062 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70.8 | -49.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | A242 A248 I266 | A242-G244 PolarHBondContact O-N 3.37Å; G244-A248 PolarHBondContact O-N 2.99Å; G244-A248 VanDerWaalsContact O-N 3.17Å; G244-I266 VanDerWaalsContact C-CD1 3.42Å |
| 245 | Q | 60.4 | Low | 56 | Low | 127 Ų | 127 | 78.5 Ų | 78.5 | 59% | 0.593 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.5 | -31.2 | 178.4 | -92.7 | 144 | -41 | 0 | 0 | 112.1 | A248 N249 | Q245-A248 PolarHBondContact O-N 3.45Å; Q245-N249 WeakPolarHBondContact O-CB 3.48Å; Q245-N249 VanDerWaalsContact O-CG 3.32Å; Q245-N249 PolarHBondContact O-N 3.18Å; Q245-N249 PolarHBondContact O-ND2 3.38Å |
| 246 | A | 60.7 | Low | 56.1 | Low | 38 Ų | 38 | 84 Ų | 84 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | W235 A242 N249 W250 | W235-A246 HydrophobicContact CZ3-CB 4.22Å; A242-A246 PolarHBondContact O-N 3.41Å; A246-N249 PolarHBondContact O-N 2.95Å; A246-W250 PolarHBondContact O-N 2.79Å |
| 247 | A | 62.9 | Low | 56.7 | Low | 14 Ų | 14 | 81.1 Ų | 81.1 | 12% | 0.116 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S243 N249 W250 L251 P260 | S243-A247 PolarHBondContact O-N 3.29Å; A247-N249 PolarHBondContact O-N 3.17Å; A247-W250 PolarHBondContact O-N 3Å; A247-L251 PolarHBondContact O-N 2.87Å; A247-P260 HydrophobicContact CB-CB 4.4Å; A247-P260 HydrophobicContact CB-CG 4.04Å |
| 248 | A | 61.1 | Low | 57.2 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 17% | 0.174 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G244 Q245 A252 | G244-A248 PolarHBondContact O-N 2.99Å; G244-A248 VanDerWaalsContact O-N 3.17Å; Q245-A248 PolarHBondContact O-N 3.45Å; A248-A252 WeakPolarHBondContact O-CB 3.44Å; A248-A252 PolarHBondContact O-N 3.37Å |
| 249 | N | 63.2 | Low | 57.6 | Low | 48 Ų | 48 | 76.9 Ų | 76.9 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.2 | -32.7 | 176.4 | -72.7 | -16.7 | 0 | 0 | 0 | 112.3 | W235 Q245 A246 A247 A252 F254 | W235-N249 HydrophobicContact CH2-CB 3.96Å; Q245-N249 WeakPolarHBondContact O-CB 3.48Å; Q245-N249 VanDerWaalsContact O-CG 3.32Å; Q245-N249 PolarHBondContact O-N 3.18Å; Q245-N249 PolarHBondContact O-ND2 3.38Å; A246-N249 PolarHBondContact O-N 2.95Å; A247-N249 PolarHBondContact O-N 3.17Å; N249-A252 PolarHBondContact O-N 3.08Å; N249-F254 WeakPolarHBondContact O-CB 3.27Å; N249-F254 PolarHBondContact O-N 3.2Å; N249-F254 VanDerWaalsContact O-N 3.14Å |
| 250 | W | 64.4 | Low | 57.9 | Low | 83 Ų | 83 | 77.3 Ų | 77.3 | 31% | 0.314 | 47% | 0.474 | S | S | . | . | I | π-helix | trans | -65.6 | -47.7 | 173.8 | -165 | 100.8 | 0 | 0 | 0 | 111.6 | A246 A247 A252 G253 G257 T259 P260 | A246-W250 PolarHBondContact O-N 2.79Å; A247-W250 PolarHBondContact O-N 3Å; W250-A252 PolarHBondContact O-N 2.88Å; W250-G253 PolarHBondContact O-N 2.68Å; W250-G257 PolarHBondContact NE1-O 3.38Å; W250-T259 HydrophobicContact CH2-CG2 3.11Å; W250-T259 HydrophobicContact CZ2-CG2 3.45Å; W250-T259 VanDerWaalsContact CZ2-CG2 3.45Å; W250-T259 HydrophobicContact CZ3-CG2 3.7Å; W250-P260 HydrophobicContact CB-CG 3.95Å; W250-P260 HydrophobicContact CD2-CG 4.39Å; W250-P260 VanDerWaalsContact CG-CD 3.46Å; W250-P260 HydrophobicContact CG-CG 4Å |
| 251 | L | 61.7 | Low | 58.1 | Low | 145 Ų | 145 | 75.7 Ų | 75.7 | 76% | 0.759 | 46% | 0.463 | S | S | * | . | I | π-helix | trans | -61.2 | -28 | 175.4 | -75.8 | 168.5 | 0 | 0 | 0 | 113.4 | A247 G253 | A247-L251 PolarHBondContact O-N 2.87Å; L251-G253 PolarHBondContact O-N 3.23Å |
| 252 | A | 64.7 | Low | 57.9 | Low | 61 Ų | 61 | 79.6 Ų | 79.6 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -81.7 | 6.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A248 N249 W250 F254 | A248-A252 WeakPolarHBondContact O-CB 3.44Å; A248-A252 PolarHBondContact O-N 3.37Å; N249-A252 PolarHBondContact O-N 3.08Å; W250-A252 PolarHBondContact O-N 2.88Å; A252-F254 HydrophobicContact CB-CD2 3.73Å; A252-F254 HydrophobicContact CB-CE2 3.84Å |
| 253 | G | 59.5 | Low | 57.6 | Low | 68 Ų | 68 | 83.3 Ų | 83.3 | 70% | 0.701 | 49% | 0.494 | S | S | * | . | I | π-helix | trans | 84 | 8.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | W250 L251 | W250-G253 PolarHBondContact O-N 2.68Å; L251-G253 PolarHBondContact O-N 3.23Å |
| 254 | F | 62.2 | Low | 57 | Low | 122 Ų | 122 | 88.2 Ų | 88.2 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | I | π-helix | trans | -92.4 | -0.7 | 178.4 | -58.6 | -73.6 | 0 | 0 | 0 | 113.5 | P229 N249 A252 | P229-F254 HydrophobicContact CG-CE1 4.47Å; P229-F254 HydrophobicContact CG-CE2 4.44Å; P229-F254 HydrophobicContact CG-CZ 4.11Å; N249-F254 WeakPolarHBondContact O-CB 3.27Å; N249-F254 PolarHBondContact O-N 3.2Å; N249-F254 VanDerWaalsContact O-N 3.14Å; A252-F254 HydrophobicContact CB-CD2 3.73Å; A252-F254 HydrophobicContact CB-CE2 3.84Å |
| 255 | G | 58.1 | Low | 56.4 | Low | 33 Ų | 33 | 91.2 Ų | 91.2 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | trans | -82.7 | 131.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 256 | R | 53.7 | Low | 55.8 | Low | 258 Ų | 258 | 89.7 Ų | 89.7 | 97% | 0.974 | 54% | 0.54 | S | S | * | . | trans | -112.1 | 111.2 | 159.3 | -70.9 | -166 | 175.1 | 171.2 | -0.6 | 108 | ||||
| 257 | G | 60.4 | Low | 55 | Low | 49 Ų | 49 | 99.2 Ų | 99.2 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | S | Bend | trans | 137.7 | 172.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | W250 | W250-G257 PolarHBondContact NE1-O 3.38Š|
| 258 | P | 52.3 | Low | 54.4 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -61.3 | 149.3 | -177.2 | 24.2 | -32 | 0 | 0 | 0 | 112.3 | ||
| 259 | T | 50.5 | Low | 53.8 | Low | 99 Ų | 99 | 109 Ų | 109 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 125.3 | -179.2 | 46.3 | 0 | 0 | 0 | 0 | 111.2 | W250 | W250-T259 HydrophobicContact CH2-CG2 3.11Å; W250-T259 HydrophobicContact CZ2-CG2 3.45Å; W250-T259 VanDerWaalsContact CZ2-CG2 3.45Å; W250-T259 HydrophobicContact CZ3-CG2 3.7Å |
| 260 | P | 54.3 | Low | 53.2 | Low | 45 Ų | 45 | 109.8 Ų | 109.8 | 29% | 0.292 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 146.6 | 172.1 | 24 | -28.9 | 0 | 0 | 0 | 110 | A247 W250 T262 | A247-P260 HydrophobicContact CB-CB 4.4Å; A247-P260 HydrophobicContact CB-CG 4.04Å; W250-P260 HydrophobicContact CB-CG 3.95Å; W250-P260 HydrophobicContact CD2-CG 4.39Å; W250-P260 VanDerWaalsContact CG-CD 3.46Å; W250-P260 HydrophobicContact CG-CG 4Å; P260-T262 PolarHBondContact O-N 3.2Å |
| 261 | P | 51.4 | Low | 52.8 | Low | 113 Ų | 113 | 111.4 Ų | 111.4 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.1 | 177.9 | 23.2 | -32.1 | 0 | 0 | 0 | 109.4 | L263 | P261-L263 PolarHBondContact O-N 2.95Š|
| 262 | T | 46.7 | Very low | 52.6 | Low | 134 Ų | 134 | 106.6 Ų | 106.6 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | trans | -56.6 | 96.8 | -174.2 | 39.6 | 0 | 0 | 0 | 0 | 111.4 | P260 L264 | P260-T262 PolarHBondContact O-N 3.2Å; T262-L264 VanDerWaalsContact C-N 3.35Å; T262-L264 PolarHBondContact O-N 2.92Å | ||
| 263 | L | 47.6 | Very low | 52.3 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | trans | -76.9 | 87.5 | 169.9 | -95.6 | 160.1 | 0 | 0 | 0 | 109.2 | P261 G265 | P261-L263 PolarHBondContact O-N 2.95Å; L263-G265 PolarHBondContact O-N 3.31Å | ||
| 264 | L | 43.4 | Very low | 52.4 | Low | 172 Ų | 172 | 104.8 Ų | 104.8 | 90% | 0.901 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 95.4 | 163 | -72.6 | 164.3 | 0 | 0 | 0 | 108.5 | T262 | T262-L264 VanDerWaalsContact C-N 3.35Å; T262-L264 PolarHBondContact O-N 2.92Å |
| 265 | G | 45.3 | Very low | 52.4 | Low | 69 Ų | 69 | 108 Ų | 108 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.6 | -21.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | L263 R267 | L263-G265 PolarHBondContact O-N 3.31Å; G265-R267 PolarHBondContact O-N 3.08Å |
| 266 | I | 47.4 | Very low | 52.8 | Low | 94 Ų | 94 | 115.7 Ų | 115.7 | 48% | 0.482 | 63% | 0.626 | S | S | . | * | trans | -96.6 | 82 | -177.5 | -59.4 | 176.2 | 0 | 0 | 0 | 109.9 | G244 Q268 | G244-I266 VanDerWaalsContact C-CD1 3.42Å; I266-Q268 VanDerWaalsContact C-N 3.26Å; I266-Q268 HydrophobicContact CG2-CG 4.34Å; I266-Q268 PolarHBondContact O-N 2.79Å | ||
| 267 | R | 43.8 | Very low | 53.3 | Low | 238 Ų | 238 | 111 Ų | 111 | 90% | 0.898 | 61% | 0.608 | S | S | * | * | trans | -68.9 | 90.6 | 158.4 | -167.2 | 177.3 | -167.6 | -177.6 | 5 | 107.1 | G265 N269 | G265-R267 PolarHBondContact O-N 3.08Å; R267-N269 PolarHBondContact O-N 2.97Å | ||
| 268 | Q | 50.7 | Low | 53.7 | Low | 117 Ų | 117 | 114.6 Ų | 114.6 | 55% | 0.547 | 62% | 0.615 | S | S | . | * | trans | -52 | 118.4 | 167.3 | -91.2 | -171 | -5.9 | 0 | 0 | 107.8 | I266 S270 | I266-Q268 VanDerWaalsContact C-N 3.26Å; I266-Q268 HydrophobicContact CG2-CG 4.34Å; I266-Q268 PolarHBondContact O-N 2.79Å; Q268-S270 PolarHBondContact O-N 3.39Å; Q268-S270 PolarHBondContact O-OG 2.91Å | ||
| 269 | N | 48.4 | Very low | 54.6 | Low | 124 Ų | 124 | 114 Ų | 114 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 35.2 | 172.6 | -155.4 | 14.8 | 0 | 0 | 0 | 111.2 | R267 N271 A272 A273 | R267-N269 PolarHBondContact O-N 2.97Å; N269-N271 PolarHBondContact O-N 3.35Å; N269-A272 PolarHBondContact O-N 2.87Å; N269-A272 VanDerWaalsContact OD1-CB 3.3Å; N269-A272 WeakPolarHBondContact OD1-CB 3.49Å; N269-A273 PolarHBondContact O-N 3.48Å |
| 270 | S | 51.6 | Low | 55.6 | Low | 64 Ų | 64 | 113.2 Ų | 113.2 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.3 | -32.1 | 178 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | Q268 A272 G274 | Q268-S270 PolarHBondContact O-N 3.39Å; Q268-S270 PolarHBondContact O-OG 2.91Å; S270-A272 PolarHBondContact O-N 3.47Å; S270-G274 PolarHBondContact O-N 3.33Å |
| 271 | N | 55.3 | Low | 56.6 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -35.9 | 175.7 | -74.7 | -16.2 | 0 | 0 | 0 | 113.5 | N269 R275 | N269-N271 PolarHBondContact O-N 3.35Å; N271-R275 VanDerWaalsContact O-CB 3.27Å; N271-R275 WeakPolarHBondContact O-CB 3.2Å; N271-R275 VanDerWaalsContact O-CG 3.28Å; N271-R275 WeakPolarHBondContact O-CG 3.25Å; N271-R275 PolarHBondContact O-N 3.07Å |
| 272 | A | 56.4 | Low | 57.7 | Low | 44 Ų | 44 | 114.5 Ų | 114.5 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.4 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N269 S270 R276 | N269-A272 PolarHBondContact O-N 2.87Å; N269-A272 VanDerWaalsContact OD1-CB 3.3Å; N269-A272 WeakPolarHBondContact OD1-CB 3.49Å; S270-A272 PolarHBondContact O-N 3.47Å; A272-R276 WeakPolarHBondContact O-CB 3.46Å; A272-R276 PolarHBondContact O-N 3.32Å |
| 273 | A | 59.3 | Low | 59.2 | Low | 53 Ų | 53 | 111.8 Ų | 111.8 | 44% | 0.438 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.9 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | N269 R276 R277 | N269-A273 PolarHBondContact O-N 3.48Å; A273-R276 PolarHBondContact O-N 3.08Å; A273-R277 WeakPolarHBondContact O-CG 3.36Å; A273-R277 PolarHBondContact O-N 2.79Å |
| 274 | G | 61.3 | Low | 60.8 | Low | 38 Ų | 38 | 111.5 Ų | 111.5 | 39% | 0.392 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.6 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S270 R276 R277 L278 | S270-G274 PolarHBondContact O-N 3.33Å; G274-R276 PolarHBondContact O-N 3.46Å; G274-R277 PolarHBondContact O-N 2.95Å; G274-L278 WeakPolarHBondContact O-CB 3.22Å; G274-L278 PolarHBondContact O-N 2.99Å |
| 275 | R | 62.5 | Low | 62.6 | Low | 190 Ų | 190 | 109.3 Ų | 109.3 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59 | -44 | 174.3 | -82.2 | 177 | -176.7 | 175.4 | 1.1 | 112 | N271 R277 L278 L279 | N271-R275 VanDerWaalsContact O-CB 3.27Å; N271-R275 WeakPolarHBondContact O-CB 3.2Å; N271-R275 VanDerWaalsContact O-CG 3.28Å; N271-R275 WeakPolarHBondContact O-CG 3.25Å; N271-R275 PolarHBondContact O-N 3.07Å; R275-R277 PolarHBondContact O-N 3.18Å; R275-L278 PolarHBondContact O-N 3.44Å; R275-L279 WeakPolarHBondContact O-CG 3.27Å; R275-L279 PolarHBondContact O-N 3.1Å |
| 276 | R | 65.5 | Low | 64.4 | Low | 193 Ų | 193 | 106.6 Ų | 106.6 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 178.5 | -161.1 | 178.1 | -162.7 | 177 | 6.6 | 112.1 | A272 A273 G274 V280 | A272-R276 WeakPolarHBondContact O-CB 3.46Å; A272-R276 PolarHBondContact O-N 3.32Å; A273-R276 PolarHBondContact O-N 3.08Å; G274-R276 PolarHBondContact O-N 3.46Å; R276-V280 WeakPolarHBondContact O-CG2 3.33Å; R276-V280 PolarHBondContact O-N 3.48Å; R276-V280 VanDerWaalsContact O-N 3.15Å |
| 277 | R | 65.9 | Low | 66.2 | Low | 159 Ų | 159 | 102.3 Ų | 102.3 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 175.5 | -73.3 | 175.5 | -175.4 | -176.5 | 0.9 | 112.3 | A273 G274 R275 V280 L281 | A273-R277 WeakPolarHBondContact O-CG 3.36Å; A273-R277 PolarHBondContact O-N 2.79Å; G274-R277 PolarHBondContact O-N 2.95Å; R275-R277 PolarHBondContact O-N 3.18Å; R277-V280 PolarHBondContact O-N 3.32Å; R277-L281 PolarHBondContact O-N 2.86Å |
| 278 | L | 68.4 | Low | 68.2 | Low | 125 Ų | 125 | 94.6 Ų | 94.6 | 65% | 0.654 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | 179.8 | -163.6 | 138.9 | 0 | 0 | 0 | 111.7 | G274 R275 L281 D282 | G274-L278 WeakPolarHBondContact O-CB 3.22Å; G274-L278 PolarHBondContact O-N 2.99Å; R275-L278 PolarHBondContact O-N 3.44Å; L278-L281 PolarHBondContact O-N 3.4Å; L278-D282 WeakPolarHBondContact O-CB 3.46Å; L278-D282 PolarHBondContact O-N 3.42Å |
| 279 | L | 70.3 | Confident | 69.8 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 60% | 0.602 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 173.5 | -70.7 | 170.9 | 0 | 0 | 0 | 112.4 | R275 L281 D282 E283 | R275-L279 WeakPolarHBondContact O-CG 3.27Å; R275-L279 PolarHBondContact O-N 3.1Å; L279-L281 VanDerWaalsContact C-N 3.31Å; L279-L281 PolarHBondContact O-N 2.93Å; L279-D282 PolarHBondContact O-N 3.35Å; L279-E283 WeakPolarHBondContact O-CB 3.42Å; L279-E283 PolarHBondContact O-N 2.93Å |
| 280 | V | 73 | Confident | 71.7 | Confident | 82 Ų | 82 | 87.3 Ų | 87.3 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | R276 R277 F284 | R276-V280 WeakPolarHBondContact O-CG2 3.33Å; R276-V280 PolarHBondContact O-N 3.48Å; R276-V280 VanDerWaalsContact O-N 3.15Å; R277-V280 PolarHBondContact O-N 3.32Å; V280-F284 WeakPolarHBondContact O-CB 3.48Å; V280-F284 PolarHBondContact O-N 3Å |
| 281 | L | 73.4 | Confident | 73.5 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 176.5 | -175 | 66.9 | 0 | 0 | 0 | 112.1 | R277 L278 L279 F284 K285 | R277-L281 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.4Å; L279-L281 VanDerWaalsContact C-N 3.31Å; L279-L281 PolarHBondContact O-N 2.93Å; L281-F284 PolarHBondContact O-N 2.92Å; L281-K285 WeakPolarHBondContact O-CG 3.25Å; L281-K285 PolarHBondContact O-N 3.36Å |
| 282 | D | 75.1 | Confident | 75.1 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 177.6 | -163.2 | 49.1 | 0 | 0 | 0 | 112.1 | L278 L279 F284 K285 T286 | L278-D282 WeakPolarHBondContact O-CB 3.46Å; L278-D282 PolarHBondContact O-N 3.42Å; L279-D282 PolarHBondContact O-N 3.35Å; D282-F284 PolarHBondContact O-N 3.34Å; D282-K285 PolarHBondContact O-N 3.1Å; D282-T286 WeakPolarHBondContact O-CB 3.34Å; D282-T286 PolarHBondContact O-N 2.85Å; D282-T286 PolarHBondContact O-OG1 3.45Å |
| 283 | E | 79.4 | Confident | 76.8 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 172.3 | -168 | 174.5 | 156.1 | 0 | 0 | 111 | H133 L279 K285 T286 E287 | H133-E283 IonicContact CE1-OE1 3.37Å; H133-E283 PolarHBondContact CE1-OE1 3.37Å; H133-E283 IonicContact NE2-OE1 3.83Å; L279-E283 WeakPolarHBondContact O-CB 3.42Å; L279-E283 PolarHBondContact O-N 2.93Å; E283-K285 PolarHBondContact O-N 2.68Å; E283-T286 WeakPolarHBondContact O-CB 3.35Å; E283-T286 PolarHBondContact O-N 3.29Å; E283-E287 WeakPolarHBondContact O-CG 3.44Å; E283-E287 PolarHBondContact O-N 2.91Å |
| 284 | F | 80.6 | Confident | 78.4 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176 | -174.2 | -98.2 | 0 | 0 | 0 | 113.1 | I130 V280 L281 D282 T286 E287 K288 | I130-F284 HydrophobicContact CG2-CE2 4.2Å; I130-F284 HydrophobicContact CG2-CZ 4.33Å; V280-F284 WeakPolarHBondContact O-CB 3.48Å; V280-F284 PolarHBondContact O-N 3Å; L281-F284 PolarHBondContact O-N 2.92Å; D282-F284 PolarHBondContact O-N 3.34Å; F284-T286 VanDerWaalsContact C-N 3.28Å; F284-T286 PolarHBondContact O-N 2.92Å; F284-E287 PolarHBondContact O-N 3.16Å; F284-K288 PolarHBondContact O-N 2.75Å |
| 285 | K | 81.4 | Confident | 79.9 | Confident | 125 Ų | 125 | 83 Ų | 83 | 54% | 0.543 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.5 | -76.8 | 173.7 | -177.9 | 175.7 | 0 | 111.4 | L281 D282 E283 K288 R289 | L281-K285 WeakPolarHBondContact O-CG 3.25Å; L281-K285 PolarHBondContact O-N 3.36Å; D282-K285 PolarHBondContact O-N 3.1Å; E283-K285 PolarHBondContact O-N 2.68Å; K285-K288 PolarHBondContact O-N 3.48Å; K285-R289 PolarHBondContact O-N 2.88Å; K285-R289 VanDerWaalsContact O-N 3.09Å |
| 286 | T | 82.4 | Confident | 81.3 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | D282 E283 F284 K288 R289 I290 | D282-T286 WeakPolarHBondContact O-CB 3.34Å; D282-T286 PolarHBondContact O-N 2.85Å; D282-T286 PolarHBondContact O-OG1 3.45Å; E283-T286 WeakPolarHBondContact O-CB 3.35Å; E283-T286 PolarHBondContact O-N 3.29Å; F284-T286 VanDerWaalsContact C-N 3.28Å; F284-T286 PolarHBondContact O-N 2.92Å; T286-K288 VanDerWaalsContact C-N 3.27Å; T286-K288 PolarHBondContact O-N 2.96Å; T286-R289 WeakPolarHBondContact O-CB 3.44Å; T286-R289 PolarHBondContact O-N 3.03Å; T286-I290 HydrophobicContact CG2-CD1 3.98Å; T286-I290 WeakPolarHBondContact O-CG1 3.22Å; T286-I290 PolarHBondContact O-N 3.47Å |
| 287 | E | 85.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 176.1 | -71.7 | -58.8 | 137.5 | 0 | 0 | 112.6 | R126 E283 F284 I290 S291 | R126-E287 IonicContact CZ-OE2 3.65Å; R126-E287 IonicContact NH1-OE2 2.66Å; R126-E287 PolarHBondContact NH1-OE2 3.23Å; R126-E287 IonicContact NH2-OE2 3.87Å; E283-E287 WeakPolarHBondContact O-CG 3.44Å; E283-E287 PolarHBondContact O-N 2.91Å; F284-E287 PolarHBondContact O-N 3.16Å; E287-I290 PolarHBondContact O-N 3.29Å; E287-S291 VanDerWaalsContact O-CB 3.31Å; E287-S291 WeakPolarHBondContact O-CB 3.25Å; E287-S291 PolarHBondContact O-N 2.79Å; E287-S291 PolarHBondContact O-OG 3.33Å |
| 288 | K | 84.9 | Confident | 83.9 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 174.4 | -170.8 | 175 | -177.4 | 174.9 | 0 | 112.5 | F284 K285 T286 S291 R292 | F284-K288 PolarHBondContact O-N 2.75Å; K285-K288 PolarHBondContact O-N 3.48Å; T286-K288 VanDerWaalsContact C-N 3.27Å; T286-K288 PolarHBondContact O-N 2.96Å; K288-S291 PolarHBondContact O-N 2.85Å; K288-R292 PolarHBondContact O-N 2.88Å |
| 289 | R | 85.4 | Confident | 85 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 176 | -174.6 | -174 | -66.2 | 161.5 | 2.3 | 110.9 | K285 T286 R292 M293 | K285-R289 PolarHBondContact O-N 2.88Å; K285-R289 VanDerWaalsContact O-N 3.09Å; T286-R289 WeakPolarHBondContact O-CB 3.44Å; T286-R289 PolarHBondContact O-N 3.03Å; R289-R292 PolarHBondContact O-N 3.27Å; R289-M293 PolarHBondContact O-N 2.9Å |
| 290 | I | 87.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.3 | -65.7 | 170 | 0 | 0 | 0 | 110 | P62 Y63 T286 E287 R292 M293 F294 | P62-I290 HydrophobicContact CB-CG2 3.8Å; P62-I290 HydrophobicContact CG-CD1 4.49Å; P62-I290 HydrophobicContact CG-CG2 3.98Å; Y63-I290 HydrophobicContact CE2-CD1 4.14Å; T286-I290 HydrophobicContact CG2-CD1 3.98Å; T286-I290 WeakPolarHBondContact O-CG1 3.22Å; T286-I290 PolarHBondContact O-N 3.47Å; E287-I290 PolarHBondContact O-N 3.29Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.46Å; I290-M293 WeakPolarHBondContact O-CB 3.45Å; I290-M293 PolarHBondContact O-N 3.43Å; I290-M293 VanDerWaalsContact O-N 3.08Å; I290-F294 HydrophobicContact CG2-CD2 3.8Å; I290-F294 HydrophobicContact CG2-CE2 3.61Å; I290-F294 WeakPolarHBondContact O-CD2 3.44Å; I290-F294 PolarHBondContact O-N 3.47Å; I290-F294 VanDerWaalsContact O-N 3.1Å |
| 291 | S | 89.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | I130 E287 K288 F294 Y295 | I130-S291 VanDerWaalsContact CD1-OG 3.29Å; I130-S291 WeakPolarHBondContact CD1-OG 3.25Å; E287-S291 VanDerWaalsContact O-CB 3.31Å; E287-S291 WeakPolarHBondContact O-CB 3.25Å; E287-S291 PolarHBondContact O-N 2.79Å; E287-S291 PolarHBondContact O-OG 3.33Å; K288-S291 PolarHBondContact O-N 2.85Å; S291-F294 PolarHBondContact O-N 3.05Å; S291-Y295 WeakPolarHBondContact O-CB 3.46Å; S291-Y295 PolarHBondContact O-N 3.05Å |
| 292 | R | 89.6 | Confident | 88.1 | Confident | 141 Ų | 141 | 52 Ų | 52 | 53% | 0.532 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 173.5 | -176.2 | -179.2 | 66.1 | -173.3 | 3.1 | 112 | K288 R289 I290 Y295 I296 | K288-R292 PolarHBondContact O-N 2.88Å; R289-R292 PolarHBondContact O-N 3.27Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.46Å; R292-Y295 PolarHBondContact O-N 2.98Å; R292-I296 HydrophobicContact CG-CD1 4.02Å; R292-I296 VanDerWaalsContact O-CG1 3.27Å; R292-I296 WeakPolarHBondContact O-CG1 3.06Å; R292-I296 PolarHBondContact O-N 3.35Å |
| 293 | M | 91.2 | Very high | 89 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -51.9 | 176.9 | -177.1 | -174.5 | 85.6 | 0 | 0 | 110.9 | L66 R289 I290 Y295 I296 M297 I345 N350 L353 | L66-M293 HydrophobicContact CD2-CE 4.06Å; R289-M293 PolarHBondContact O-N 2.9Å; I290-M293 WeakPolarHBondContact O-CB 3.45Å; I290-M293 PolarHBondContact O-N 3.43Å; I290-M293 VanDerWaalsContact O-N 3.08Å; M293-Y295 VanDerWaalsContact C-N 3.35Å; M293-Y295 PolarHBondContact O-N 3.47Å; M293-I296 PolarHBondContact O-N 2.9Å; M293-M297 HydrophobicContact CE-SD 4.42Å; M293-M297 WeakPolarHBondContact O-CG 3.09Å; M293-M297 PolarHBondContact O-N 2.95Å; M293-I345 HydrophobicContact CG-CG2 3.91Å; M293-N350 HydrophobicContact SD-CB 3.94Å; M293-L353 HydrophobicContact SD-CD1 4.46Å |
| 294 | F | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 178.6 | -76.3 | -71.8 | 0 | 0 | 0 | 113.1 | P62 L66 V122 R126 I290 S291 I296 M297 T298 | P62-F294 HydrophobicContact CB-CE2 3.6Å; P62-F294 HydrophobicContact CB-CZ 4.07Å; P62-F294 VanDerWaalsContact O-CZ 3.23Å; P62-F294 WeakPolarHBondContact O-CZ 3.37Å; L66-F294 HydrophobicContact CB-CE1 4.23Å; L66-F294 HydrophobicContact CB-CZ 4.04Å; L66-F294 HydrophobicContact CD1-CE1 4.47Å; V122-F294 HydrophobicContact CG1-CB 3.78Å; V122-F294 HydrophobicContact CG1-CD1 3.41Å; V122-F294 VanDerWaalsContact CG1-CD1 3.41Å; V122-F294 HydrophobicContact CG1-CD2 4.24Å; V122-F294 HydrophobicContact CG1-CE1 3.99Å; V122-F294 HydrophobicContact CG1-CG 3.53Å; V122-F294 HydrophobicContact CG2-CE1 4.49Å; R126-F294 HydrophobicContact CG-CB 4.4Å; R126-F294 HydrophobicContact CG-CD2 4.43Å; I290-F294 HydrophobicContact CG2-CD2 3.8Å; I290-F294 HydrophobicContact CG2-CE2 3.61Å; I290-F294 WeakPolarHBondContact O-CD2 3.44Å; I290-F294 PolarHBondContact O-N 3.47Å; I290-F294 VanDerWaalsContact O-N 3.1Å; S291-F294 PolarHBondContact O-N 3.05Å; F294-I296 VanDerWaalsContact C-N 3.32Å; F294-I296 PolarHBondContact O-N 2.98Å; F294-M297 HydrophobicContact CD1-SD 3.89Å; F294-M297 HydrophobicContact CE1-SD 4.15Å; F294-M297 WeakPolarHBondContact O-CB 3.3Å; F294-M297 PolarHBondContact O-N 2.78Å; F294-M297 VanDerWaalsContact O-N 3.15Å; F294-T298 PolarHBondContact O-N 3.38Å; F294-T298 PolarHBondContact O-OG1 2.92Å; F294-T298 VanDerWaalsContact O-OG1 3.05Å |
| 295 | Y | 92.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 173.4 | 172.7 | -104.6 | 0 | 0 | 0 | 112 | Y209 I213 S291 R292 M293 M297 T298 F299 | Y209-Y295 AromaticContact CD1-CD2 3.71Å; Y209-Y295 HydrophobicContact CD1-CD2 3.71Å; Y209-Y295 HydrophobicContact CD1-CG 4.38Å; Y209-Y295 HydrophobicContact CD2-CD2 4.33Å; Y209-Y295 HydrophobicContact CE1-CD2 4.29Å; Y209-Y295 AromaticContact CG-CD2 3.74Å; Y209-Y295 HydrophobicContact CG-CD2 3.74Å; Y209-Y295 HydrophobicContact CG-CE2 4.41Å; I213-Y295 HydrophobicContact CD1-CE2 3.96Å; S291-Y295 WeakPolarHBondContact O-CB 3.46Å; S291-Y295 PolarHBondContact O-N 3.05Å; R292-Y295 PolarHBondContact O-N 2.98Å; M293-Y295 VanDerWaalsContact C-N 3.35Å; M293-Y295 PolarHBondContact O-N 3.47Å; Y295-M297 VanDerWaalsContact C-N 3.33Å; Y295-M297 PolarHBondContact O-N 3.47Å; Y295-T298 PolarHBondContact O-N 2.81Å; Y295-F299 WeakPolarHBondContact O-CB 3.33Å; Y295-F299 PolarHBondContact O-N 3.25Å |
| 296 | I | 92.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.9 | -64.5 | 165.1 | 0 | 0 | 0 | 110 | R292 M293 F294 T298 F299 F300 I345 | R292-I296 HydrophobicContact CG-CD1 4.02Å; R292-I296 VanDerWaalsContact O-CG1 3.27Å; R292-I296 WeakPolarHBondContact O-CG1 3.06Å; R292-I296 PolarHBondContact O-N 3.35Å; M293-I296 PolarHBondContact O-N 2.9Å; F294-I296 VanDerWaalsContact C-N 3.32Å; F294-I296 PolarHBondContact O-N 2.98Å; I296-T298 PolarHBondContact O-N 3.12Å; I296-F299 PolarHBondContact O-N 2.92Å; I296-F300 HydrophobicContact CG2-CD2 3.7Å; I296-F300 HydrophobicContact CG2-CE2 3.7Å; I296-F300 WeakPolarHBondContact O-CD2 3.4Å; I296-F300 PolarHBondContact O-N 3.46Å; I296-I345 HydrophobicContact CB-CG2 4.34Å; I296-I345 HydrophobicContact CG2-CD1 3.99Å; I296-I345 HydrophobicContact CG2-CG1 4.26Å; I296-I345 HydrophobicContact CG2-CG2 4.14Å |
| 297 | M | 92.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 175.6 | -65.3 | 175.7 | 71.3 | 0 | 0 | 112.4 | L66 L69 M293 F294 Y295 F299 F300 F301 N342 I345 | L66-M297 HydrophobicContact CD1-CE 3.58Å; L66-M297 HydrophobicContact CD1-SD 4.04Å; L69-M297 HydrophobicContact CD1-CE 4.29Å; M293-M297 HydrophobicContact CE-SD 4.42Å; M293-M297 WeakPolarHBondContact O-CG 3.09Å; M293-M297 PolarHBondContact O-N 2.95Å; F294-M297 HydrophobicContact CD1-SD 3.89Å; F294-M297 HydrophobicContact CE1-SD 4.15Å; F294-M297 WeakPolarHBondContact O-CB 3.3Å; F294-M297 PolarHBondContact O-N 2.78Å; F294-M297 VanDerWaalsContact O-N 3.15Å; Y295-M297 VanDerWaalsContact C-N 3.33Å; Y295-M297 PolarHBondContact O-N 3.47Å; M297-F299 VanDerWaalsContact C-N 3.33Å; M297-F299 PolarHBondContact O-N 2.96Å; M297-F300 PolarHBondContact O-N 3.27Å; M297-F301 PolarHBondContact O-N 3.27Å; M297-N342 HydrophobicContact CE-CB 3.77Å; M297-N342 VanDerWaalsContact CE-CG 3.45Å; M297-N342 WeakPolarHBondContact CE-OD1 3.07Å; M297-I345 HydrophobicContact CB-CD1 4.15Å; M297-I345 HydrophobicContact CG-CB 4.03Å; M297-I345 HydrophobicContact CG-CD1 3.72Å; M297-I345 HydrophobicContact CG-CG1 4.5Å; M297-I345 HydrophobicContact CG-CG2 3.65Å |
| 298 | T | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 177.8 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | T205 Y209 F294 Y295 I296 F301 L302 | T205-T298 HydrophobicContact CG2-CG2 3.61Å; Y209-T298 HydrophobicContact CD2-CG2 4.17Å; Y209-T298 HydrophobicContact CE2-CG2 3.81Å; Y209-T298 WeakPolarHBondContact CE2-OG1 3.46Å; Y209-T298 PolarHBondContact OH-OG1 2.97Å; F294-T298 PolarHBondContact O-N 3.38Å; F294-T298 PolarHBondContact O-OG1 2.92Å; F294-T298 VanDerWaalsContact O-OG1 3.05Å; Y295-T298 PolarHBondContact O-N 2.81Å; I296-T298 PolarHBondContact O-N 3.12Å; T298-F301 WeakPolarHBondContact O-CB 3.38Å; T298-F301 PolarHBondContact O-N 2.99Å; T298-L302 PolarHBondContact O-N 3.35Å; T298-L302 VanDerWaalsContact O-N 3.1Å |
| 299 | F | 92.5 | Very high | 91.9 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 45% | 0.447 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.4 | 176.3 | -95.7 | 0 | 0 | 0 | 111.8 | Y295 I296 M297 F301 L302 A303 | Y295-F299 WeakPolarHBondContact O-CB 3.33Å; Y295-F299 PolarHBondContact O-N 3.25Å; I296-F299 PolarHBondContact O-N 2.92Å; M297-F299 VanDerWaalsContact C-N 3.33Å; M297-F299 PolarHBondContact O-N 2.96Å; F299-F301 VanDerWaalsContact C-N 3.33Å; F299-F301 PolarHBondContact O-N 2.98Å; F299-L302 PolarHBondContact O-N 3.45Å; F299-A303 PolarHBondContact O-N 3.18Å |
| 300 | F | 93.8 | Very high | 92.1 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 39% | 0.386 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 176.4 | -86.5 | -79.5 | 0 | 0 | 0 | 112.6 | I296 M297 L302 A303 L304 Q338 V341 I345 | I296-F300 HydrophobicContact CG2-CD2 3.7Å; I296-F300 HydrophobicContact CG2-CE2 3.7Å; I296-F300 WeakPolarHBondContact O-CD2 3.4Å; I296-F300 PolarHBondContact O-N 3.46Å; M297-F300 PolarHBondContact O-N 3.27Å; F300-L302 VanDerWaalsContact C-N 3.33Å; F300-L302 PolarHBondContact O-N 3.27Å; F300-A303 PolarHBondContact O-N 3.2Å; F300-L304 WeakPolarHBondContact O-CB 3.37Å; F300-L304 WeakPolarHBondContact O-CG 3.37Å; F300-L304 PolarHBondContact O-N 3.49Å; F300-Q338 PolarHBondContact O-OE1 2.96Å; F300-V341 HydrophobicContact CB-CG1 3.82Å; F300-V341 HydrophobicContact CG-CG1 4.22Å; F300-I345 HydrophobicContact CB-CD1 4.33Å; F300-I345 HydrophobicContact CD2-CD1 3.79Å; F300-I345 HydrophobicContact CG-CD1 4.32Å |
| 301 | F | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.4 | -49.6 | 171.9 | -177.2 | -82.8 | 0 | 0 | 0 | 111.1 | L119 L202 M297 T298 F299 A303 L304 W305 Q338 | L119-F301 HydrophobicContact CD1-CB 3.68Å; L119-F301 HydrophobicContact CD1-CD1 3.96Å; L119-F301 HydrophobicContact CD1-CD2 3.68Å; L119-F301 HydrophobicContact CD1-CE2 4.31Å; L119-F301 HydrophobicContact CD1-CG 3.47Å; L119-F301 VanDerWaalsContact CD1-CG 3.47Å; L202-F301 HydrophobicContact CD1-CE1 4.23Å; L202-F301 HydrophobicContact CD2-CD1 3.83Å; L202-F301 HydrophobicContact CD2-CE1 3.44Å; L202-F301 VanDerWaalsContact CD2-CE1 3.44Å; L202-F301 HydrophobicContact CG-CE1 4.47Å; M297-F301 PolarHBondContact O-N 3.27Å; T298-F301 WeakPolarHBondContact O-CB 3.38Å; T298-F301 PolarHBondContact O-N 2.99Å; F299-F301 VanDerWaalsContact C-N 3.33Å; F299-F301 PolarHBondContact O-N 2.98Å; F301-A303 PolarHBondContact O-N 3.02Å; F301-L304 PolarHBondContact O-N 3.39Å; F301-W305 HydrophobicContact CD1-CG 4.49Å; F301-W305 AromaticContact CD2-CD1 3.66Å; F301-W305 AromaticContact CD2-NE1 3.87Å; F301-W305 HydrophobicContact CE1-CB 4.2Å; F301-W305 AromaticContact CE1-CD1 3.93Å; F301-W305 HydrophobicContact CE1-CG 4.02Å; F301-W305 AromaticContact CE2-CD1 3.48Å; F301-W305 VanDerWaalsContact CE2-CD1 3.48Å; F301-W305 HydrophobicContact CE2-CG 4.2Å; F301-W305 AromaticContact CE2-NE1 3.41Å; F301-W305 AromaticContact CG-CD1 3.99Å; F301-W305 AromaticContact CZ-CD1 3.62Å; F301-W305 HydrophobicContact CZ-CD2 4.23Å; F301-W305 AromaticContact CZ-CG 3.88Å; F301-W305 HydrophobicContact CZ-CG 3.88Å; F301-W305 AromaticContact CZ-NE1 3.79Å; F301-W305 VanDerWaalsContact O-CB 3.29Å; F301-W305 WeakPolarHBondContact O-CB 3.41Å; F301-W305 PolarHBondContact O-N 3.25Å; F301-Q338 HydrophobicContact CD2-CG 3.97Å |
| 302 | L | 93.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 36.9 Ų | 36.9 | 32% | 0.319 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.5 | -178 | 66 | 0 | 0 | 0 | 112.2 | Q206 T298 F299 F300 L304 G306 | Q206-L302 HydrophobicContact CG-CD2 4.13Å; T298-L302 PolarHBondContact O-N 3.35Å; T298-L302 VanDerWaalsContact O-N 3.1Å; F299-L302 PolarHBondContact O-N 3.45Å; F300-L302 VanDerWaalsContact C-N 3.33Å; F300-L302 PolarHBondContact O-N 3.27Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.05Å; L302-G306 VanDerWaalsContact O-CA 3.24Å; L302-G306 WeakPolarHBondContact O-CA 3.42Å; L302-G306 PolarHBondContact O-N 2.64Å |
| 303 | A | 94.1 | Very high | 91.7 | Very high | 43 Ų | 43 | 32.3 Ų | 32.3 | 36% | 0.355 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.2 | -36.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F299 F300 F301 P307 M334 | F299-A303 PolarHBondContact O-N 3.18Å; F300-A303 PolarHBondContact O-N 3.2Å; F301-A303 PolarHBondContact O-N 3.02Å; A303-P307 VanDerWaalsContact O-CD 3.26Å; A303-P307 WeakPolarHBondContact O-CD 3.49Å; A303-M334 WeakPolarHBondContact O-CE 3.12Å |
| 304 | L | 94.9 | Very high | 91.4 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -87.4 | -32.8 | -177.4 | -71.6 | 172.3 | 0 | 0 | 0 | 113.3 | F300 F301 L302 M334 S335 Q338 V341 | F300-L304 WeakPolarHBondContact O-CB 3.37Å; F300-L304 WeakPolarHBondContact O-CG 3.37Å; F300-L304 PolarHBondContact O-N 3.49Å; F301-L304 PolarHBondContact O-N 3.39Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.05Å; L304-M334 WeakPolarHBondContact CB-O 3.16Å; L304-M334 HydrophobicContact CD2-CB 3.99Å; L304-M334 HydrophobicContact CD2-CE 3.99Å; L304-M334 HydrophobicContact CD2-CG 4.28Å; L304-M334 CarbonylContact O-C 3.54Å; L304-M334 WeakPolarHBondContact O-CB 3.36Å; L304-S335 PolarHBondContact O-N 3.39Å; L304-Q338 HydrophobicContact CB-CB 4.33Å; L304-Q338 HydrophobicContact CD1-CB 4.24Å; L304-Q338 VanDerWaalsContact CD1-OE1 3.29Å; L304-V341 HydrophobicContact CD1-CG2 3.49Å; L304-V341 VanDerWaalsContact CD1-CG2 3.49Å |
| 305 | W | 93.3 | Very high | 90.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -87.6 | -26.2 | 175.4 | -79.6 | 86.7 | 0 | 0 | 0 | 113.8 | C112 F301 Y308 L309 | C112-W305 HydrophobicContact CB-CH2 3.81Å; C112-W305 HydrophobicContact CB-CZ2 4.32Å; C112-W305 HydrophobicContact CB-CZ3 4.32Å; C112-W305 WeakPolarHBondContact SG-CH2 3.4Å; C112-W305 WeakPolarHBondContact SG-CZ3 3.15Å; F301-W305 HydrophobicContact CD1-CG 4.49Å; F301-W305 AromaticContact CD2-CD1 3.66Å; F301-W305 AromaticContact CD2-NE1 3.87Å; F301-W305 HydrophobicContact CE1-CB 4.2Å; F301-W305 AromaticContact CE1-CD1 3.93Å; F301-W305 HydrophobicContact CE1-CG 4.02Å; F301-W305 AromaticContact CE2-CD1 3.48Å; F301-W305 VanDerWaalsContact CE2-CD1 3.48Å; F301-W305 HydrophobicContact CE2-CG 4.2Å; F301-W305 AromaticContact CE2-NE1 3.41Å; F301-W305 AromaticContact CG-CD1 3.99Å; F301-W305 AromaticContact CZ-CD1 3.62Å; F301-W305 HydrophobicContact CZ-CD2 4.23Å; F301-W305 AromaticContact CZ-CG 3.88Å; F301-W305 HydrophobicContact CZ-CG 3.88Å; F301-W305 AromaticContact CZ-NE1 3.79Å; F301-W305 VanDerWaalsContact O-CB 3.29Å; F301-W305 WeakPolarHBondContact O-CB 3.41Å; F301-W305 PolarHBondContact O-N 3.25Å; W305-Y308 HydrophobicContact CE3-CD1 4.11Å; W305-Y308 AromaticContact CZ3-CD1 3.99Å; W305-Y308 HydrophobicContact CZ3-CD1 3.99Å; W305-Y308 HydrophobicContact CZ3-CE1 4.35Å; W305-Y308 WeakPolarHBondContact O-CB 3.26Å; W305-Y308 PolarHBondContact O-N 3.01Å; W305-L309 WeakPolarHBondContact O-CG 3.45Å; W305-L309 PolarHBondContact O-N 3.3Å |
| 306 | G | 91.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 38 Ų | 38 | 19% | 0.186 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52 | -50.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L302 Y308 L309 V310 | L302-G306 VanDerWaalsContact O-CA 3.24Å; L302-G306 WeakPolarHBondContact O-CA 3.42Å; L302-G306 PolarHBondContact O-N 2.64Å; G306-Y308 VanDerWaalsContact C-N 3.29Å; G306-Y308 PolarHBondContact O-N 3.03Å; G306-L309 PolarHBondContact O-N 2.82Å; G306-V310 WeakPolarHBondContact O-CG2 3.17Å; G306-V310 PolarHBondContact O-N 3.44Å |
| 307 | P | 94.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 177.3 | -26.1 | 36.1 | 0 | 0 | 0 | 113.2 | A303 V310 A311 Y327 A331 M334 | A303-P307 VanDerWaalsContact O-CD 3.26Å; A303-P307 WeakPolarHBondContact O-CD 3.49Å; P307-V310 PolarHBondContact O-N 3Å; P307-A311 WeakPolarHBondContact O-CB 3.38Å; P307-A311 PolarHBondContact O-N 3.43Å; P307-Y327 PolarHBondContact O-OH 3.04Å; P307-Y327 VanDerWaalsContact O-OH 3.05Å; P307-A331 HydrophobicContact CB-CB 3.92Å; P307-M334 HydrophobicContact CB-SD 4.46Å; P307-M334 HydrophobicContact CG-CE 3.83Å; P307-M334 HydrophobicContact CG-SD 3.99Å |
| 308 | Y | 91.2 | Very high | 88.6 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.2 | -174.2 | -110.4 | 0 | 0 | 0 | 111.2 | E176 W305 G306 V310 A311 C312 V332 | E176-Y308 WeakPolarHBondContact OE2-CE2 3.36Å; E176-Y308 PolarHBondContact OE2-OH 3.21Å; W305-Y308 HydrophobicContact CE3-CD1 4.11Å; W305-Y308 AromaticContact CZ3-CD1 3.99Å; W305-Y308 HydrophobicContact CZ3-CD1 3.99Å; W305-Y308 HydrophobicContact CZ3-CE1 4.35Å; W305-Y308 WeakPolarHBondContact O-CB 3.26Å; W305-Y308 PolarHBondContact O-N 3.01Å; G306-Y308 VanDerWaalsContact C-N 3.29Å; G306-Y308 PolarHBondContact O-N 3.03Å; Y308-V310 VanDerWaalsContact C-N 3.32Å; Y308-V310 PolarHBondContact O-N 2.91Å; Y308-A311 WeakPolarHBondContact O-CB 3.18Å; Y308-A311 PolarHBondContact O-N 3.25Å; Y308-A311 VanDerWaalsContact O-N 3.15Å; Y308-C312 PolarHBondContact O-N 3.21Å; Y308-C312 PolarHBondContact O-SG 2.94Å; Y308-V332 HydrophobicContact CD2-CG2 3.89Å; Y308-V332 HydrophobicContact CE2-CG2 3.69Å |
| 309 | L | 89.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 175.5 | -63.9 | 176.6 | 0 | 0 | 0 | 111.8 | M195 L198 L202 W305 G306 A311 C312 Y313 | M195-L309 HydrophobicContact CE-CD2 3.87Å; L198-L309 HydrophobicContact CD2-CD2 3.59Å; L198-L309 HydrophobicContact CG-CD2 4.25Å; L202-L309 HydrophobicContact CD1-CD1 3.44Å; L202-L309 VanDerWaalsContact CD1-CD1 3.44Å; W305-L309 WeakPolarHBondContact O-CG 3.45Å; W305-L309 PolarHBondContact O-N 3.3Å; G306-L309 PolarHBondContact O-N 2.82Å; L309-A311 VanDerWaalsContact C-N 3.34Å; L309-A311 PolarHBondContact O-N 3.34Å; L309-C312 PolarHBondContact O-N 3.41Å; L309-Y313 WeakPolarHBondContact O-CD2 3.42Å; L309-Y313 PolarHBondContact O-N 3.2Å |
| 310 | V | 90.3 | Very high | 85.6 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | G306 P307 Y308 C312 Y313 W314 Y327 | G306-V310 WeakPolarHBondContact O-CG2 3.17Å; G306-V310 PolarHBondContact O-N 3.44Å; P307-V310 PolarHBondContact O-N 3Å; Y308-V310 VanDerWaalsContact C-N 3.32Å; Y308-V310 PolarHBondContact O-N 2.91Å; V310-C312 VanDerWaalsContact C-N 3.35Å; V310-C312 PolarHBondContact O-N 3.21Å; V310-Y313 PolarHBondContact O-N 3.4Å; V310-W314 WeakPolarHBondContact O-CB 3.37Å; V310-W314 PolarHBondContact O-N 3.48Å; V310-Y327 WeakPolarHBondContact CB-OH 3.24Å; V310-Y327 WeakPolarHBondContact CG1-OH 3.46Å |
| 311 | A | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P307 Y308 L309 W314 R315 Y327 L328 | P307-A311 WeakPolarHBondContact O-CB 3.38Å; P307-A311 PolarHBondContact O-N 3.43Å; Y308-A311 WeakPolarHBondContact O-CB 3.18Å; Y308-A311 PolarHBondContact O-N 3.25Å; Y308-A311 VanDerWaalsContact O-N 3.15Å; L309-A311 VanDerWaalsContact C-N 3.34Å; L309-A311 PolarHBondContact O-N 3.34Å; A311-W314 WeakPolarHBondContact O-CB 3.38Å; A311-W314 PolarHBondContact O-N 2.98Å; A311-R315 WeakPolarHBondContact O-CG 3.29Å; A311-R315 PolarHBondContact O-N 2.89Å; A311-Y327 HydrophobicContact CB-CD1 4.32Å; A311-Y327 HydrophobicContact CB-CE1 3.67Å; A311-L328 HydrophobicContact CB-CD1 4.3Å |
| 312 | C | 85.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | H183 M195 Y308 L309 V310 W314 R315 V316 | H183-C312 PolarHBondContact CE1-SG 3.13Å; H183-C312 PolarHBondContact NE2-SG 2.92Å; M195-C312 HydrophobicContact CE-CB 3.23Å; M195-C312 HydrophobicContact SD-CB 4.14Å; Y308-C312 PolarHBondContact O-N 3.21Å; Y308-C312 PolarHBondContact O-SG 2.94Å; L309-C312 PolarHBondContact O-N 3.41Å; V310-C312 VanDerWaalsContact C-N 3.35Å; V310-C312 PolarHBondContact O-N 3.21Å; C312-W314 VanDerWaalsContact C-N 3.34Å; C312-W314 PolarHBondContact O-N 2.95Å; C312-R315 PolarHBondContact O-N 2.89Å; C312-V316 WeakPolarHBondContact O-CG2 3.3Å; C312-V316 PolarHBondContact O-N 2.98Å; C312-V316 VanDerWaalsContact O-N 3.15Å |
| 313 | Y | 84.9 | Confident | 82.6 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.1 | -83.9 | -65.5 | 0 | 0 | 0 | 112.4 | M195 L196 A199 L309 V310 R315 V316 F317 | M195-Y313 HydrophobicContact CB-CE1 4.05Å; M195-Y313 HydrophobicContact CB-CE2 4.47Å; M195-Y313 HydrophobicContact CE-CD2 4.37Å; M195-Y313 HydrophobicContact CE-CE2 4.26Å; M195-Y313 PolarHBondContact O-OH 2.91Å; L196-Y313 VanDerWaalsContact CA-OH 3.23Å; L196-Y313 WeakPolarHBondContact CA-OH 3.38Å; L196-Y313 HydrophobicContact CD2-CE1 4.28Å; L196-Y313 PolarHBondContact N-OH 3.46Å; A199-Y313 HydrophobicContact CB-CE2 4.25Å; A199-Y313 WeakPolarHBondContact CB-OH 3.44Å; L309-Y313 WeakPolarHBondContact O-CD2 3.42Å; L309-Y313 PolarHBondContact O-N 3.2Å; V310-Y313 PolarHBondContact O-N 3.4Å; Y313-R315 VanDerWaalsContact C-N 3.32Å; Y313-R315 PolarHBondContact O-N 2.65Å; Y313-V316 PolarHBondContact O-N 3.27Å; Y313-V316 VanDerWaalsContact O-N 3.15Å; Y313-F317 HydrophobicContact CD1-CD2 4.07Å; Y313-F317 AromaticContact CD1-CE2 3.59Å; Y313-F317 HydrophobicContact CD1-CE2 3.59Å; Y313-F317 HydrophobicContact CE1-CE2 4.16Å; Y313-F317 WeakPolarHBondContact O-CD2 3.39Å; Y313-F317 PolarHBondContact O-N 3.49Å |
| 314 | W | 85.6 | Confident | 82.3 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 176 | -165.9 | -65.6 | 0 | 0 | 0 | 111.1 | V310 A311 C312 V316 F317 A318 V323 | V310-W314 WeakPolarHBondContact O-CB 3.37Å; V310-W314 PolarHBondContact O-N 3.48Å; A311-W314 WeakPolarHBondContact O-CB 3.38Å; A311-W314 PolarHBondContact O-N 2.98Å; C312-W314 VanDerWaalsContact C-N 3.34Å; C312-W314 PolarHBondContact O-N 2.95Å; W314-V316 VanDerWaalsContact C-N 3.29Å; W314-V316 PolarHBondContact O-N 3.35Å; W314-F317 PolarHBondContact O-N 3.4Å; W314-A318 HydrophobicContact CG-CB 4.36Å; W314-A318 WeakPolarHBondContact O-CB 3.19Å; W314-A318 PolarHBondContact O-N 3.47Å; W314-V323 HydrophobicContact CB-CG2 4.05Å; W314-V323 HydrophobicContact CG-CG2 3.91Å |
| 315 | R | 80.3 | Confident | 81.8 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -32.7 | 176.8 | -73.6 | -179.2 | 169.6 | -176.2 | -6.5 | 113.5 | E176 H183 A311 C312 Y313 V323 | E176-R315 IonicContact OE1-CZ 3.61Å; E176-R315 IonicContact OE1-NH1 2.69Å; E176-R315 PolarHBondContact OE1-NH1 2.69Å; E176-R315 IonicContact OE1-NH2 3.88Å; H183-R315 HydrophobicContact CB-CB 4.37Å; A311-R315 WeakPolarHBondContact O-CG 3.29Å; A311-R315 PolarHBondContact O-N 2.89Å; C312-R315 PolarHBondContact O-N 2.89Å; Y313-R315 VanDerWaalsContact C-N 3.32Å; Y313-R315 PolarHBondContact O-N 2.65Å; R315-V323 HydrophobicContact CG-CG2 3.71Å |
| 316 | V | 78.4 | Confident | 81.4 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75.3 | -43.5 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | H183 L192 C312 Y313 W314 | H183-V316 HydrophobicContact CB-CG2 4.45Å; L192-V316 HydrophobicContact CD1-CG1 4.46Å; C312-V316 WeakPolarHBondContact O-CG2 3.3Å; C312-V316 PolarHBondContact O-N 2.98Å; C312-V316 VanDerWaalsContact O-N 3.15Å; Y313-V316 PolarHBondContact O-N 3.27Å; Y313-V316 VanDerWaalsContact O-N 3.15Å; W314-V316 VanDerWaalsContact C-N 3.29Å; W314-V316 PolarHBondContact O-N 3.35Å |
| 317 | F | 78.3 | Confident | 81.4 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -93.7 | -37.2 | -171.6 | -73.7 | -66.7 | 0 | 0 | 0 | 114.8 | L192 Y313 W314 R319 | L192-F317 HydrophobicContact CD1-CE1 4.21Å; L192-F317 HydrophobicContact CD1-CZ 3.95Å; Y313-F317 HydrophobicContact CD1-CD2 4.07Å; Y313-F317 AromaticContact CD1-CE2 3.59Å; Y313-F317 HydrophobicContact CD1-CE2 3.59Å; Y313-F317 HydrophobicContact CE1-CE2 4.16Å; Y313-F317 WeakPolarHBondContact O-CD2 3.39Å; Y313-F317 PolarHBondContact O-N 3.49Å; W314-F317 PolarHBondContact O-N 3.4Å; F317-R319 PolarHBondContact O-N 2.82Å; F317-R319 VanDerWaalsContact O-N 3.1Å |
| 318 | A | 73.8 | Confident | 81.1 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -83.2 | 91.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W314 G320 | W314-A318 HydrophobicContact CG-CB 4.36Å; W314-A318 WeakPolarHBondContact O-CB 3.19Å; W314-A318 PolarHBondContact O-N 3.47Å; A318-G320 PolarHBondContact O-N 3.38Å; A318-G320 VanDerWaalsContact O-N 3.07Å |
| 319 | R | 62.8 | Low | 81 | Confident | 192 Ų | 192 | 68.5 Ų | 68.5 | 73% | 0.725 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 109.2 | 174.4 | -68.1 | -177.4 | -179.7 | 168.2 | 2.6 | 109.8 | F317 | F317-R319 PolarHBondContact O-N 2.82Å; F317-R319 VanDerWaalsContact O-N 3.1Å |
| 320 | G | 60 | Low | 81.1 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 81% | 0.814 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -6.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A318 V322 | A318-G320 PolarHBondContact O-N 3.38Å; A318-G320 VanDerWaalsContact O-N 3.07Å; G320-V322 PolarHBondContact O-N 3.25Å |
| 321 | S | 62.5 | Low | 81.3 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | trans | -85.1 | 109.5 | 171.6 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | V323 | S321-V323 PolarHBondContact O-N 2.97Š| ||
| 322 | V | 73 | Confident | 81.5 | Confident | 139 Ų | 139 | 66.8 Ų | 66.8 | 84% | 0.842 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 121.7 | 174.9 | -128 | 0 | 0 | 0 | 0 | 109 | G320 | G320-V322 PolarHBondContact O-N 3.25Š|
| 323 | V | 81.7 | Confident | 81.9 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.085 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 128.6 | 171.2 | 176.9 | 0 | 0 | 0 | 0 | 108.2 | W314 R315 S321 R325 Y327 L328 | W314-V323 HydrophobicContact CB-CG2 4.05Å; W314-V323 HydrophobicContact CG-CG2 3.91Å; R315-V323 HydrophobicContact CG-CG2 3.71Å; S321-V323 PolarHBondContact O-N 2.97Å; V323-R325 PolarHBondContact O-N 2.93Å; V323-Y327 HydrophobicContact CG1-CD1 3.68Å; V323-Y327 HydrophobicContact CG1-CE1 4.35Å; V323-L328 HydrophobicContact CG1-CB 4.25Å |
| 324 | P | 88.1 | Confident | 82.4 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 129.6 | 178.7 | -26.3 | 34 | 0 | 0 | 0 | 111.7 | G326 Y327 L328 | P324-G326 PolarHBondContact O-N 3.17Å; P324-Y327 PolarHBondContact O-N 3.08Å; P324-L328 PolarHBondContact O-N 3.04Å; P324-L328 VanDerWaalsContact O-N 3.1Å |
| 325 | R | 83.9 | Confident | 82.8 | Confident | 194 Ų | 194 | 63.2 Ų | 63.2 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56 | -38.1 | -176.1 | -68 | -177.7 | 178.9 | 170.5 | -0.7 | 112.9 | V323 T329 | V323-R325 PolarHBondContact O-N 2.93Å; R325-T329 WeakPolarHBondContact O-CB 3.19Å; R325-T329 PolarHBondContact O-N 3.21Å; R325-T329 PolarHBondContact O-OG1 3.43Å |
| 326 | G | 86 | Confident | 83.5 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P324 A330 | P324-G326 PolarHBondContact O-N 3.17Å; G326-A330 WeakPolarHBondContact O-CB 3.45Å; G326-A330 PolarHBondContact O-N 3.37Å |
| 327 | Y | 90.6 | Very high | 84.3 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 35% | 0.349 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177.1 | 173.7 | -100.9 | 0 | 0 | 0 | 111.5 | P307 V310 A311 V323 P324 A330 A331 | P307-Y327 PolarHBondContact O-OH 3.04Å; P307-Y327 VanDerWaalsContact O-OH 3.05Å; V310-Y327 WeakPolarHBondContact CB-OH 3.24Å; V310-Y327 WeakPolarHBondContact CG1-OH 3.46Å; A311-Y327 HydrophobicContact CB-CD1 4.32Å; A311-Y327 HydrophobicContact CB-CE1 3.67Å; V323-Y327 HydrophobicContact CG1-CD1 3.68Å; V323-Y327 HydrophobicContact CG1-CE1 4.35Å; P324-Y327 PolarHBondContact O-N 3.08Å; Y327-A330 PolarHBondContact O-N 3.05Å; Y327-A331 VanDerWaalsContact O-CB 3.3Å; Y327-A331 WeakPolarHBondContact O-CB 3.21Å; Y327-A331 PolarHBondContact O-N 2.71Å |
| 328 | L | 89.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60 | -48.9 | 177.3 | 179.6 | 77.8 | 0 | 0 | 0 | 111.6 | E175 E176 A311 V323 P324 A330 A331 V332 | E175-L328 HydrophobicContact CB-CD2 3.69Å; E176-L328 HydrophobicContact CG-CD1 4.2Å; E176-L328 HydrophobicContact CG-CD2 3.92Å; E176-L328 HydrophobicContact CG-CG 4.18Å; A311-L328 HydrophobicContact CB-CD1 4.3Å; V323-L328 HydrophobicContact CG1-CB 4.25Å; P324-L328 PolarHBondContact O-N 3.04Å; P324-L328 VanDerWaalsContact O-N 3.1Å; L328-A330 VanDerWaalsContact C-N 3.31Å; L328-A330 PolarHBondContact O-N 3.36Å; L328-A331 PolarHBondContact O-N 3.22Å; L328-V332 HydrophobicContact CG-CG2 4.48Å; L328-V332 WeakPolarHBondContact O-CG2 3.46Å; L328-V332 PolarHBondContact O-N 2.69Å |
| 329 | T | 88.9 | Confident | 86 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 179.9 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | R325 V332 W333 | R325-T329 WeakPolarHBondContact O-CB 3.19Å; R325-T329 PolarHBondContact O-N 3.21Å; R325-T329 PolarHBondContact O-OG1 3.43Å; T329-V332 PolarHBondContact O-N 3.14Å; T329-W333 PolarHBondContact O-N 2.51Å |
| 330 | A | 91.9 | Very high | 87.3 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G326 Y327 L328 V332 W333 M334 | G326-A330 WeakPolarHBondContact O-CB 3.45Å; G326-A330 PolarHBondContact O-N 3.37Å; Y327-A330 PolarHBondContact O-N 3.05Å; L328-A330 VanDerWaalsContact C-N 3.31Å; L328-A330 PolarHBondContact O-N 3.36Å; A330-V332 PolarHBondContact O-N 3.38Å; A330-W333 PolarHBondContact O-N 2.79Å; A330-M334 VanDerWaalsContact O-CG 3.27Å; A330-M334 WeakPolarHBondContact O-CG 3.36Å; A330-M334 PolarHBondContact O-N 2.96Å |
| 331 | A | 94.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P307 Y327 L328 M334 S335 | P307-A331 HydrophobicContact CB-CB 3.92Å; Y327-A331 VanDerWaalsContact O-CB 3.3Å; Y327-A331 WeakPolarHBondContact O-CB 3.21Å; Y327-A331 PolarHBondContact O-N 2.71Å; L328-A331 PolarHBondContact O-N 3.22Å; A331-M334 PolarHBondContact O-N 2.87Å; A331-S335 PolarHBondContact O-N 2.93Å; A331-S335 VanDerWaalsContact O-N 3.14Å |
| 332 | V | 92.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | E176 Y308 L328 T329 A330 M334 S335 F336 | E176-V332 HydrophobicContact CB-CG2 4.11Å; E176-V332 HydrophobicContact CG-CG2 3.9Å; Y308-V332 HydrophobicContact CD2-CG2 3.89Å; Y308-V332 HydrophobicContact CE2-CG2 3.69Å; L328-V332 HydrophobicContact CG-CG2 4.48Å; L328-V332 WeakPolarHBondContact O-CG2 3.46Å; L328-V332 PolarHBondContact O-N 2.69Å; T329-V332 PolarHBondContact O-N 3.14Å; A330-V332 PolarHBondContact O-N 3.38Å; V332-M334 VanDerWaalsContact C-N 3.29Å; V332-M334 PolarHBondContact O-N 3.48Å; V332-S335 PolarHBondContact O-N 3.49Å; V332-S335 PolarHBondContact O-OG 2.95Å; V332-F336 HydrophobicContact CG1-CD2 4.16Å; V332-F336 HydrophobicContact CG1-CE1 3.97Å; V332-F336 HydrophobicContact CG1-CE2 3.45Å; V332-F336 VanDerWaalsContact CG1-CE2 3.45Å; V332-F336 HydrophobicContact CG1-CZ 3.35Å; V332-F336 WeakPolarHBondContact O-CG 3.43Å; V332-F336 PolarHBondContact O-N 3.38Å; V332-F336 VanDerWaalsContact O-N 3.07Å |
| 333 | W | 93.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -36.1 | 177.2 | -77.1 | 123.2 | 0 | 0 | 0 | 113.2 | K30 L34 I37 T329 A330 F336 A337 | K30-W333 HydrophobicContact CB-CZ2 3.83Å; K30-W333 HydrophobicContact CD-CZ2 4.25Å; K30-W333 HydrophobicContact CG-CZ2 3.83Å; L34-W333 HydrophobicContact CB-CH2 3.55Å; L34-W333 HydrophobicContact CB-CZ3 3.54Å; L34-W333 HydrophobicContact CD1-CH2 3.95Å; L34-W333 HydrophobicContact CD1-CZ3 3.53Å; L34-W333 HydrophobicContact CD2-CH2 3.95Å; L34-W333 HydrophobicContact CD2-CZ3 4.37Å; L34-W333 HydrophobicContact CG-CH2 3.99Å; L34-W333 HydrophobicContact CG-CZ3 3.94Å; I37-W333 HydrophobicContact CD1-CE3 4.01Å; I37-W333 HydrophobicContact CD1-CZ3 4.36Å; T329-W333 PolarHBondContact O-N 2.51Å; A330-W333 PolarHBondContact O-N 2.79Å; W333-F336 HydrophobicContact CD2-CD2 4.32Å; W333-F336 HydrophobicContact CE3-CB 4.37Å; W333-F336 AromaticContact CE3-CD2 3.53Å; W333-F336 HydrophobicContact CE3-CD2 3.53Å; W333-F336 HydrophobicContact CE3-CE2 4.3Å; W333-F336 HydrophobicContact CE3-CG 4.44Å; W333-F336 HydrophobicContact CH2-CD2 4.19Å; W333-F336 HydrophobicContact CH2-CE2 4.34Å; W333-F336 AromaticContact CZ3-CD2 3.48Å; W333-F336 HydrophobicContact CZ3-CD2 3.48Å; W333-F336 VanDerWaalsContact CZ3-CD2 3.48Å; W333-F336 HydrophobicContact CZ3-CE2 4.07Å; W333-F336 PolarHBondContact O-N 3.26Å; W333-A337 WeakPolarHBondContact O-CB 3.4Å; W333-A337 PolarHBondContact O-N 3.35Å |
| 334 | M | 95 | Very high | 91.2 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.6 | -73 | 177.8 | 71.4 | 0 | 0 | 111.6 | A303 L304 P307 A330 A331 V332 F336 A337 Q338 | A303-M334 WeakPolarHBondContact O-CE 3.12Å; L304-M334 WeakPolarHBondContact CB-O 3.16Å; L304-M334 HydrophobicContact CD2-CB 3.99Å; L304-M334 HydrophobicContact CD2-CE 3.99Å; L304-M334 HydrophobicContact CD2-CG 4.28Å; L304-M334 CarbonylContact O-C 3.54Å; L304-M334 WeakPolarHBondContact O-CB 3.36Å; P307-M334 HydrophobicContact CB-SD 4.46Å; P307-M334 HydrophobicContact CG-CE 3.83Å; P307-M334 HydrophobicContact CG-SD 3.99Å; A330-M334 VanDerWaalsContact O-CG 3.27Å; A330-M334 WeakPolarHBondContact O-CG 3.36Å; A330-M334 PolarHBondContact O-N 2.96Å; A331-M334 PolarHBondContact O-N 2.87Å; V332-M334 VanDerWaalsContact C-N 3.29Å; V332-M334 PolarHBondContact O-N 3.48Å; M334-F336 VanDerWaalsContact C-N 3.28Å; M334-F336 PolarHBondContact O-N 3.4Å; M334-A337 PolarHBondContact O-N 2.99Å; M334-Q338 PolarHBondContact O-N 2.88Å |
| 335 | S | 94.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -30.9 | 177.3 | 77.8 | 0 | 0 | 0 | 0 | 112.4 | R76 L304 A331 V332 Q338 | R76-S335 PolarHBondContact NH1-O 3.01Å; R76-S335 VanDerWaalsContact NH1-O 3.08Å; L304-S335 PolarHBondContact O-N 3.39Å; A331-S335 PolarHBondContact O-N 2.93Å; A331-S335 VanDerWaalsContact O-N 3.14Å; V332-S335 PolarHBondContact O-N 3.49Å; V332-S335 PolarHBondContact O-OG 2.95Å; S335-Q338 WeakPolarHBondContact O-CB 3.14Å |
| 336 | F | 94.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.3 | -44.2 | 172.4 | -62.5 | -14.1 | 0 | 0 | 0 | 112.2 | L34 I37 F81 V84 Q178 V332 W333 M334 Q338 A339 | L34-F336 HydrophobicContact CD1-CD2 4.4Å; I37-F336 HydrophobicContact CD1-CB 4.27Å; I37-F336 HydrophobicContact CG2-CB 4.43Å; I37-F336 WeakPolarHBondContact CG2-O 3.44Å; F81-F336 HydrophobicContact CD1-CD1 4.35Å; F81-F336 HydrophobicContact CD1-CG 4.47Å; F81-F336 HydrophobicContact CE1-CB 4.02Å; F81-F336 AromaticContact CE1-CD1 3.51Å; F81-F336 HydrophobicContact CE1-CD1 3.51Å; F81-F336 HydrophobicContact CE1-CE1 4.1Å; F81-F336 AromaticContact CE1-CG 3.8Å; F81-F336 HydrophobicContact CE1-CG 3.8Å; F81-F336 HydrophobicContact CZ-CB 3.83Å; F81-F336 HydrophobicContact CZ-CD1 4.1Å; F81-F336 HydrophobicContact CZ-CG 4.14Å; V84-F336 HydrophobicContact CG1-CE2 3.89Å; V84-F336 HydrophobicContact CG1-CZ 4.3Å; V84-F336 HydrophobicContact CG2-CZ 4.27Å; Q178-F336 VanDerWaalsContact OE1-CE1 3.26Å; Q178-F336 VanDerWaalsContact OE1-CZ 3.25Å; V332-F336 HydrophobicContact CG1-CD2 4.16Å; V332-F336 HydrophobicContact CG1-CE1 3.97Å; V332-F336 HydrophobicContact CG1-CE2 3.45Å; V332-F336 VanDerWaalsContact CG1-CE2 3.45Å; V332-F336 HydrophobicContact CG1-CZ 3.35Å; V332-F336 WeakPolarHBondContact O-CG 3.43Å; V332-F336 PolarHBondContact O-N 3.38Å; V332-F336 VanDerWaalsContact O-N 3.07Å; W333-F336 HydrophobicContact CD2-CD2 4.32Å; W333-F336 HydrophobicContact CE3-CB 4.37Å; W333-F336 AromaticContact CE3-CD2 3.53Å; W333-F336 HydrophobicContact CE3-CD2 3.53Å; W333-F336 HydrophobicContact CE3-CE2 4.3Å; W333-F336 HydrophobicContact CE3-CG 4.44Å; W333-F336 HydrophobicContact CH2-CD2 4.19Å; W333-F336 HydrophobicContact CH2-CE2 4.34Å; W333-F336 AromaticContact CZ3-CD2 3.48Å; W333-F336 HydrophobicContact CZ3-CD2 3.48Å; W333-F336 VanDerWaalsContact CZ3-CD2 3.48Å; W333-F336 HydrophobicContact CZ3-CE2 4.07Å; W333-F336 PolarHBondContact O-N 3.26Å; M334-F336 VanDerWaalsContact C-N 3.28Å; M334-F336 PolarHBondContact O-N 3.4Å; F336-Q338 PolarHBondContact O-N 3.36Å; F336-Q338 VanDerWaalsContact O-N 3.09Å; F336-A339 WeakPolarHBondContact O-CB 3.18Å; F336-A339 PolarHBondContact O-N 2.67Å |
| 337 | A | 94.7 | Very high | 91 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 31% | 0.306 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -57.6 | -26.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I37 W333 M334 A339 G340 | I37-A337 HydrophobicContact CD1-CB 4.35Å; W333-A337 WeakPolarHBondContact O-CB 3.4Å; W333-A337 PolarHBondContact O-N 3.35Å; M334-A337 PolarHBondContact O-N 2.99Å; A337-A339 PolarHBondContact O-N 3.41Å; A337-A339 VanDerWaalsContact O-N 3.09Å; A337-G340 PolarHBondContact O-N 3.08Å |
| 338 | Q | 95.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -51.2 | -33 | 173.6 | 178.6 | 59.7 | 26.2 | 0 | 0 | 113 | F300 F301 L304 M334 S335 F336 G340 V341 | F300-Q338 PolarHBondContact O-OE1 2.96Å; F301-Q338 HydrophobicContact CD2-CG 3.97Å; L304-Q338 HydrophobicContact CB-CB 4.33Å; L304-Q338 HydrophobicContact CD1-CB 4.24Å; L304-Q338 VanDerWaalsContact CD1-OE1 3.29Å; M334-Q338 PolarHBondContact O-N 2.88Å; S335-Q338 WeakPolarHBondContact O-CB 3.14Å; F336-Q338 PolarHBondContact O-N 3.36Å; F336-Q338 VanDerWaalsContact O-N 3.09Å; Q338-G340 PolarHBondContact O-N 2.85Å; Q338-V341 WeakPolarHBondContact O-CB 3.46Å; Q338-V341 PolarHBondContact O-N 2.93Å; Q338-V341 VanDerWaalsContact O-N 3.13Å |
| 339 | A | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -59.4 | -31.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N45 R76 S77 F81 F336 A337 | N45-A339 PolarHBondContact ND2-O 3.15Å; R76-A339 VanDerWaalsContact NH2-N 3.13Å; S77-A339 WeakPolarHBondContact OG-CB 3.3Å; F81-A339 HydrophobicContact CE2-CB 3.7Å; F81-A339 HydrophobicContact CZ-CB 4.07Å; F336-A339 WeakPolarHBondContact O-CB 3.18Å; F336-A339 PolarHBondContact O-N 2.67Å; A337-A339 PolarHBondContact O-N 3.41Å; A337-A339 VanDerWaalsContact O-N 3.09Å |
| 340 | G | 91.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -87.4 | -4.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A337 Q338 P343 F344 | A337-G340 PolarHBondContact O-N 3.08Å; Q338-G340 PolarHBondContact O-N 2.85Å; G340-P343 WeakPolarHBondContact O-CD 3.43Å; G340-F344 WeakPolarHBondContact O-CD2 3.25Å; G340-F344 VanDerWaalsContact O-CE2 3.27Å; G340-F344 WeakPolarHBondContact O-CE2 3.44Å |
| 341 | V | 91.6 | Very high | 87.7 | Confident | 17 Ų | 17 | 32 Ų | 32 | 10% | 0.103 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -78 | -38.5 | -169.2 | 169.5 | 0 | 0 | 0 | 0 | 113.1 | F300 L304 Q338 F344 I345 | F300-V341 HydrophobicContact CB-CG1 3.82Å; F300-V341 HydrophobicContact CG-CG1 4.22Å; L304-V341 HydrophobicContact CD1-CG2 3.49Å; L304-V341 VanDerWaalsContact CD1-CG2 3.49Å; Q338-V341 WeakPolarHBondContact O-CB 3.46Å; Q338-V341 PolarHBondContact O-N 2.93Å; Q338-V341 VanDerWaalsContact O-N 3.13Å; V341-F344 PolarHBondContact O-N 2.82Å; V341-I345 HydrophobicContact CG1-CD1 3.27Å; V341-I345 HydrophobicContact CG1-CG1 3.91Å; V341-I345 WeakPolarHBondContact O-CG1 3.44Å; V341-I345 PolarHBondContact O-N 3.45Å |
| 342 | N | 90.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | -174.3 | -55.9 | -20.2 | 0 | 0 | 0 | 112.8 | D73 M297 F344 I345 C346 | D73-N342 PolarHBondContact OD2-ND2 2.94Å; M297-N342 HydrophobicContact CE-CB 3.77Å; M297-N342 VanDerWaalsContact CE-CG 3.45Å; M297-N342 WeakPolarHBondContact CE-OD1 3.07Å; N342-F344 PolarHBondContact O-N 3Å; N342-I345 PolarHBondContact O-N 3.36Å; N342-C346 WeakPolarHBondContact O-CB 3.35Å; N342-C346 PolarHBondContact O-N 3.12Å; N342-C346 PolarHBondContact O-SG 3.3Å |
| 343 | P | 89 | Confident | 85.3 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 179 | -23.6 | 35.9 | 0 | 0 | 0 | 113 | I48 G340 C346 I347 | I48-P343 HydrophobicContact CG1-CB 4Å; I48-P343 HydrophobicContact CG1-CG 4.34Å; G340-P343 WeakPolarHBondContact O-CD 3.43Å; P343-C346 PolarHBondContact O-N 3.11Å; P343-I347 WeakPolarHBondContact O-CB 3.44Å; P343-I347 WeakPolarHBondContact O-CD1 3.09Å; P343-I347 VanDerWaalsContact O-CG1 3.25Å; P343-I347 WeakPolarHBondContact O-CG1 3.46Å; P343-I347 PolarHBondContact O-N 3.02Å |
| 344 | F | 87.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 37.4 Ų | 37.4 | 43% | 0.434 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.8 | -50.6 | 177.2 | -66.9 | -64.3 | 0 | 0 | 0 | 110.9 | V40 G340 V341 N342 C346 I347 F348 | V40-F344 HydrophobicContact CG1-CE2 3.62Å; V40-F344 HydrophobicContact CG1-CZ 3.88Å; G340-F344 WeakPolarHBondContact O-CD2 3.25Å; G340-F344 VanDerWaalsContact O-CE2 3.27Å; G340-F344 WeakPolarHBondContact O-CE2 3.44Å; V341-F344 PolarHBondContact O-N 2.82Å; N342-F344 PolarHBondContact O-N 3Å; F344-C346 VanDerWaalsContact C-N 3.28Å; F344-C346 PolarHBondContact O-N 3.11Å; F344-I347 PolarHBondContact O-N 2.91Å; F344-F348 HydrophobicContact CB-CD2 4.27Å; F344-F348 HydrophobicContact CB-CE2 4.42Å; F344-F348 HydrophobicContact CD1-CE2 4.21Å; F344-F348 WeakPolarHBondContact O-CB 3.44Å; F344-F348 WeakPolarHBondContact O-CD2 3.4Å; F344-F348 PolarHBondContact O-N 3.45Å |
| 345 | I | 88.6 | Confident | 83.3 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | -178.5 | -63.6 | 174.8 | 0 | 0 | 0 | 110.9 | M293 I296 M297 F300 V341 N342 F348 S349 | M293-I345 HydrophobicContact CG-CG2 3.91Å; I296-I345 HydrophobicContact CB-CG2 4.34Å; I296-I345 HydrophobicContact CG2-CD1 3.99Å; I296-I345 HydrophobicContact CG2-CG1 4.26Å; I296-I345 HydrophobicContact CG2-CG2 4.14Å; M297-I345 HydrophobicContact CB-CD1 4.15Å; M297-I345 HydrophobicContact CG-CB 4.03Å; M297-I345 HydrophobicContact CG-CD1 3.72Å; M297-I345 HydrophobicContact CG-CG1 4.5Å; M297-I345 HydrophobicContact CG-CG2 3.65Å; F300-I345 HydrophobicContact CB-CD1 4.33Å; F300-I345 HydrophobicContact CD2-CD1 3.79Å; F300-I345 HydrophobicContact CG-CD1 4.32Å; V341-I345 HydrophobicContact CG1-CD1 3.27Å; V341-I345 HydrophobicContact CG1-CG1 3.91Å; V341-I345 WeakPolarHBondContact O-CG1 3.44Å; V341-I345 PolarHBondContact O-N 3.45Å; N342-I345 PolarHBondContact O-N 3.36Å; I345-F348 PolarHBondContact O-N 2.91Å; I345-S349 WeakPolarHBondContact O-CA 2.98Å; I345-S349 WeakPolarHBondContact O-CB 3.43Å; I345-S349 PolarHBondContact O-N 2.9Å; I345-S349 PolarHBondContact O-OG 2.9Å; I345-S349 VanDerWaalsContact O-OG 3.04Å |
| 346 | C | 84.6 | Confident | 82 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 178 | -72.1 | 0 | 0 | 0 | 0 | 112.4 | I48 N342 P343 F344 N350 L353 | I48-C346 HydrophobicContact CD1-CB 3.83Å; I48-C346 HydrophobicContact CG1-CB 4.47Å; N342-C346 WeakPolarHBondContact O-CB 3.35Å; N342-C346 PolarHBondContact O-N 3.12Å; N342-C346 PolarHBondContact O-SG 3.3Å; P343-C346 PolarHBondContact O-N 3.11Å; F344-C346 VanDerWaalsContact C-N 3.28Å; F344-C346 PolarHBondContact O-N 3.11Å; C346-N350 WeakPolarHBondContact O-CB 3.29Å; C346-N350 PolarHBondContact O-N 3.36Å; C346-L353 HydrophobicContact CB-CD1 3.83Å |
| 347 | I | 80.7 | Confident | 80.9 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 22% | 0.221 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -41 | 179.9 | -67.3 | 166 | 0 | 0 | 0 | 111.5 | I48 P343 F344 R354 | I48-I347 HydrophobicContact CD1-CG1 4.47Å; P343-I347 WeakPolarHBondContact O-CB 3.44Å; P343-I347 WeakPolarHBondContact O-CD1 3.09Å; P343-I347 VanDerWaalsContact O-CG1 3.25Å; P343-I347 WeakPolarHBondContact O-CG1 3.46Å; P343-I347 PolarHBondContact O-N 3.02Å; F344-I347 PolarHBondContact O-N 2.91Å; I347-R354 PolarHBondContact O-NE 3.15Å; I347-R354 PolarHBondContact O-NH2 3.44Å |
| 348 | F | 78 | Confident | 79.8 | Confident | 144 Ų | 144 | 46.2 Ų | 46.2 | 63% | 0.632 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -78.6 | -38.9 | -177.3 | -74.9 | -66.8 | 0 | 0 | 0 | 113.2 | F344 I345 R354 | F344-F348 HydrophobicContact CB-CD2 4.27Å; F344-F348 HydrophobicContact CB-CE2 4.42Å; F344-F348 HydrophobicContact CD1-CE2 4.21Å; F344-F348 WeakPolarHBondContact O-CB 3.44Å; F344-F348 WeakPolarHBondContact O-CD2 3.4Å; F344-F348 PolarHBondContact O-N 3.45Å; I345-F348 PolarHBondContact O-N 2.91Å; F348-R354 PolarHBondContact O-NH2 3.45Å |
| 349 | S | 74 | Confident | 78.7 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -89.4 | -27.4 | -171.7 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | I345 | I345-S349 WeakPolarHBondContact O-CA 2.98Å; I345-S349 WeakPolarHBondContact O-CB 3.43Å; I345-S349 PolarHBondContact O-N 2.9Å; I345-S349 PolarHBondContact O-OG 2.9Å; I345-S349 VanDerWaalsContact O-OG 3.04Å |
| 350 | N | 69.6 | Low | 77.5 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -113.4 | 108.1 | -172.7 | -163.3 | -13.9 | 0 | 0 | 0 | 112.6 | Y63 M293 C346 E352 L353 R354 | Y63-N350 PolarHBondContact OH-ND2 3.36Å; M293-N350 HydrophobicContact SD-CB 3.94Å; C346-N350 WeakPolarHBondContact O-CB 3.29Å; C346-N350 PolarHBondContact O-N 3.36Å; N350-E352 PolarHBondContact O-N 2.87Å; N350-E352 WeakPolarHBondContact OD1-CB 3.42Å; N350-E352 PolarHBondContact OD1-N 3.23Å; N350-L353 HydrophobicContact CB-CB 4.06Å; N350-L353 HydrophobicContact CB-CD1 3.84Å; N350-L353 HydrophobicContact CB-CG 4.1Å; N350-L353 PolarHBondContact O-N 3.43Å; N350-R354 PolarHBondContact O-N 3.3Å | ||
| 351 | R | 69.1 | Low | 76.4 | Confident | 158 Ų | 158 | 56.5 Ų | 56.5 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64 | -27.9 | 176.6 | -70.5 | -174.3 | 178.4 | -177.3 | -1.5 | 112.8 | R355 | R351-R355 WeakPolarHBondContact O-CG 3.34Å; R351-R355 PolarHBondContact O-N 3.07Å; R351-R355 VanDerWaalsContact O-N 3.11Å |
| 352 | E | 68.4 | Low | 75 | Confident | 47 Ų | 47 | 60.8 Ų | 60.8 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -52.1 | 177.4 | -66.9 | 171.2 | -176.2 | 0 | 0 | 109.9 | L58 Y63 N350 R354 R355 C356 | L58-E352 HydrophobicContact CD2-CB 4.33Å; Y63-E352 PolarHBondContact OH-OE2 3.1Å; N350-E352 PolarHBondContact O-N 2.87Å; N350-E352 WeakPolarHBondContact OD1-CB 3.42Å; N350-E352 PolarHBondContact OD1-N 3.23Å; E352-R354 VanDerWaalsContact C-N 3.27Å; E352-R354 PolarHBondContact O-N 3Å; E352-R355 WeakPolarHBondContact O-CB 3.41Å; E352-R355 PolarHBondContact O-N 3.33Å; E352-C356 PolarHBondContact O-N 3.4Å; E352-C356 PolarHBondContact O-SG 3.4Å |
| 353 | L | 68 | Low | 73.4 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 175.5 | -71.5 | 171.2 | 0 | 0 | 0 | 112.3 | L52 L58 Y63 M293 C346 N350 R355 C356 F357 | L52-L353 HydrophobicContact CD2-CD2 3.82Å; L58-L353 HydrophobicContact CD1-CD2 3.57Å; Y63-L353 HydrophobicContact CE1-CD1 4.37Å; M293-L353 HydrophobicContact SD-CD1 4.46Å; C346-L353 HydrophobicContact CB-CD1 3.83Å; N350-L353 HydrophobicContact CB-CB 4.06Å; N350-L353 HydrophobicContact CB-CD1 3.84Å; N350-L353 HydrophobicContact CB-CG 4.1Å; N350-L353 PolarHBondContact O-N 3.43Å; L353-R355 PolarHBondContact O-N 3.16Å; L353-C356 PolarHBondContact O-N 3.23Å; L353-F357 VanDerWaalsContact O-CB 3.28Å; L353-F357 WeakPolarHBondContact O-CB 3.03Å; L353-F357 PolarHBondContact O-N 3.29Å |
| 354 | R | 75.7 | Confident | 71.7 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 176 | -166.8 | -177.7 | -55.6 | 173.6 | 4.8 | 112.5 | I347 F348 N350 E352 F357 S358 | I347-R354 PolarHBondContact O-NE 3.15Å; I347-R354 PolarHBondContact O-NH2 3.44Å; F348-R354 PolarHBondContact O-NH2 3.45Å; N350-R354 PolarHBondContact O-N 3.3Å; E352-R354 VanDerWaalsContact C-N 3.27Å; E352-R354 PolarHBondContact O-N 3Å; R354-F357 PolarHBondContact O-N 3.38Å; R354-S358 PolarHBondContact O-N 3.46Å; R354-S358 PolarHBondContact O-OG 2.91Å |
| 355 | R | 70.8 | Confident | 70.2 | Confident | 173 Ų | 173 | 75.9 Ų | 75.9 | 65% | 0.653 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.6 | -47.3 | 176.2 | -76.1 | 174 | -176.8 | 167.2 | -2.4 | 110.8 | R351 E352 L353 F357 S358 T359 | R351-R355 WeakPolarHBondContact O-CG 3.34Å; R351-R355 PolarHBondContact O-N 3.07Å; R351-R355 VanDerWaalsContact O-N 3.11Å; E352-R355 WeakPolarHBondContact O-CB 3.41Å; E352-R355 PolarHBondContact O-N 3.33Å; L353-R355 PolarHBondContact O-N 3.16Å; R355-F357 VanDerWaalsContact C-N 3.29Å; R355-F357 PolarHBondContact O-N 3.02Å; R355-S358 PolarHBondContact O-N 3.47Å; R355-T359 PolarHBondContact O-N 3.46Å; R355-T359 PolarHBondContact O-OG1 2.03Å |
| 356 | C | 67.2 | Low | 68.3 | Low | 20 Ų | 20 | 83.3 Ų | 83.3 | 14% | 0.135 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 179.6 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | L51 D55 E352 L353 T359 T360 | L51-C356 HydrophobicContact CD2-CB 4.39Å; D55-C356 PolarHBondContact OD2-SG 3.48Å; E352-C356 PolarHBondContact O-N 3.4Å; E352-C356 PolarHBondContact O-SG 3.4Å; L353-C356 PolarHBondContact O-N 3.23Å; C356-T359 PolarHBondContact O-N 2.88Å; C356-T360 WeakPolarHBondContact O-CB 3.45Å; C356-T360 PolarHBondContact O-N 2.87Å; C356-T360 PolarHBondContact O-OG1 2.99Å |
| 357 | F | 72.6 | Confident | 66.7 | Low | 49 Ų | 49 | 87.3 Ų | 87.3 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 172.5 | -179.8 | -115.3 | 0 | 0 | 0 | 111.9 | L47 L51 L353 R354 R355 T359 T360 L361 | L47-F357 HydrophobicContact CD1-CD2 3.99Å; L47-F357 HydrophobicContact CD1-CE2 3.83Å; L47-F357 HydrophobicContact CD2-CD2 3.85Å; L47-F357 HydrophobicContact CD2-CE2 3.26Å; L47-F357 HydrophobicContact CD2-CZ 4.05Å; L47-F357 HydrophobicContact CG-CD2 4.21Å; L47-F357 HydrophobicContact CG-CE2 4Å; L51-F357 HydrophobicContact CD1-CB 3.96Å; L51-F357 HydrophobicContact CD1-CD2 4.07Å; L51-F357 HydrophobicContact CD1-CG 4.48Å; L353-F357 VanDerWaalsContact O-CB 3.28Å; L353-F357 WeakPolarHBondContact O-CB 3.03Å; L353-F357 PolarHBondContact O-N 3.29Å; R354-F357 PolarHBondContact O-N 3.38Å; R355-F357 VanDerWaalsContact C-N 3.29Å; R355-F357 PolarHBondContact O-N 3.02Å; F357-T359 PolarHBondContact O-N 3.32Å; F357-T360 PolarHBondContact O-N 3.37Å; F357-L361 HydrophobicContact CD1-CD1 3.94Å; F357-L361 HydrophobicContact CD2-CD1 4.36Å; F357-L361 HydrophobicContact CE1-CD1 3.4Å; F357-L361 HydrophobicContact CE1-CG 4.47Å; F357-L361 HydrophobicContact CE2-CD1 3.83Å; F357-L361 HydrophobicContact CE2-CG 4.09Å; F357-L361 HydrophobicContact CG-CD1 4.41Å; F357-L361 HydrophobicContact CZ-CD1 3.36Å; F357-L361 HydrophobicContact CZ-CG 4.11Å; F357-L361 PolarHBondContact O-N 3.01Å |
| 358 | S | 70.9 | Confident | 65.1 | Low | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.5 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | R354 R355 T360 L361 L362 | R354-S358 PolarHBondContact O-N 3.46Å; R354-S358 PolarHBondContact O-OG 2.91Å; R355-S358 PolarHBondContact O-N 3.47Å; S358-T360 PolarHBondContact O-N 3Å; S358-L361 PolarHBondContact O-N 3.3Å; S358-L362 WeakPolarHBondContact O-CB 3.37Å; S358-L362 WeakPolarHBondContact O-CD1 3.23Å; S358-L362 VanDerWaalsContact O-CG 3.25Å; S358-L362 WeakPolarHBondContact O-CG 3.3Å; S358-L362 PolarHBondContact O-N 3.14Å |
| 359 | T | 70.7 | Confident | 63.4 | Low | 91 Ų | 91 | 94.3 Ų | 94.3 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 178.1 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | R355 C356 F357 L362 Y363 | R355-T359 PolarHBondContact O-N 3.46Å; R355-T359 PolarHBondContact O-OG1 2.03Å; C356-T359 PolarHBondContact O-N 2.88Å; F357-T359 PolarHBondContact O-N 3.32Å; T359-L362 PolarHBondContact O-N 2.97Å; T359-Y363 WeakPolarHBondContact O-CB 3.47Å; T359-Y363 PolarHBondContact O-N 2.86Å |
| 360 | T | 68.8 | Low | 61.8 | Low | 42 Ų | 42 | 98.9 Ų | 98.9 | 26% | 0.258 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 178.7 | -58 | 0 | 0 | 0 | 0 | 111.4 | L51 C356 F357 S358 L362 Y363 C364 | L51-T360 HydrophobicContact CD2-CG2 4.4Å; L51-T360 WeakPolarHBondContact CD2-OG1 3.27Å; C356-T360 WeakPolarHBondContact O-CB 3.45Å; C356-T360 PolarHBondContact O-N 2.87Å; C356-T360 PolarHBondContact O-OG1 2.99Å; F357-T360 PolarHBondContact O-N 3.37Å; S358-T360 PolarHBondContact O-N 3Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3Å; T360-Y363 PolarHBondContact O-N 3.28Å; T360-C364 PolarHBondContact O-N 3.23Å |
| 361 | L | 67.8 | Low | 60.5 | Low | 96 Ų | 96 | 109.4 Ų | 109.4 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 172.6 | -82.5 | 172.2 | 0 | 0 | 0 | 112.3 | F357 S358 C364 R365 | F357-L361 HydrophobicContact CD1-CD1 3.94Å; F357-L361 HydrophobicContact CD2-CD1 4.36Å; F357-L361 HydrophobicContact CE1-CD1 3.4Å; F357-L361 HydrophobicContact CE1-CG 4.47Å; F357-L361 HydrophobicContact CE2-CD1 3.83Å; F357-L361 HydrophobicContact CE2-CG 4.09Å; F357-L361 HydrophobicContact CG-CD1 4.41Å; F357-L361 HydrophobicContact CZ-CD1 3.36Å; F357-L361 HydrophobicContact CZ-CG 4.11Å; F357-L361 PolarHBondContact O-N 3.01Å; S358-L361 PolarHBondContact O-N 3.3Å; L361-C364 PolarHBondContact O-N 3.45Å; L361-R365 WeakPolarHBondContact O-CB 3.5Å; L361-R365 PolarHBondContact O-N 2.89Å |
| 362 | L | 62 | Low | 59.3 | Low | 106 Ų | 106 | 109.8 Ų | 109.8 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -36.8 | 176.6 | -76.7 | 164.2 | 0 | 0 | 0 | 112.4 | S358 T359 T360 R365 K366 | S358-L362 WeakPolarHBondContact O-CB 3.37Å; S358-L362 WeakPolarHBondContact O-CD1 3.23Å; S358-L362 VanDerWaalsContact O-CG 3.25Å; S358-L362 WeakPolarHBondContact O-CG 3.3Å; S358-L362 PolarHBondContact O-N 3.14Å; T359-L362 PolarHBondContact O-N 2.97Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3Å; L362-R365 WeakPolarHBondContact O-CB 3.5Å; L362-R365 PolarHBondContact O-N 2.92Å; L362-K366 PolarHBondContact O-N 3.39Å |
| 363 | Y | 57.2 | Low | 58 | Low | 178 Ų | 178 | 113.4 Ų | 113.4 | 70% | 0.698 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.3 | -42.5 | 175.7 | -156.5 | -93.2 | 0 | 0 | 0 | 111.4 | T359 T360 R365 K366 S367 | T359-Y363 WeakPolarHBondContact O-CB 3.47Å; T359-Y363 PolarHBondContact O-N 2.86Å; T360-Y363 PolarHBondContact O-N 3.28Å; Y363-R365 PolarHBondContact O-N 3.07Å; Y363-K366 PolarHBondContact O-N 2.96Å; Y363-S367 PolarHBondContact O-N 3.1Å; Y363-S367 PolarHBondContact O-OG 3.28Å |
| 364 | C | 54.4 | Low | 56.7 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 43% | 0.426 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.2 | -23.5 | 170.9 | -75.2 | 0 | 0 | 0 | 0 | 113.5 | T360 L361 S367 R368 | T360-C364 PolarHBondContact O-N 3.23Å; L361-C364 PolarHBondContact O-N 3.45Å; C364-S367 WeakPolarHBondContact CA-OG 3.43Å; C364-S367 PolarHBondContact O-OG 3.16Å; C364-R368 WeakPolarHBondContact O-CG 3.22Å |
| 365 | R | 54.3 | Low | 55 | Low | 185 Ų | 185 | 123.6 Ų | 123.6 | 70% | 0.698 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81 | -41.1 | 173.1 | -171.8 | 176 | 174.5 | -179.8 | -1.8 | 111.6 | L361 L362 Y363 S367 R368 | L361-R365 WeakPolarHBondContact O-CB 3.5Å; L361-R365 PolarHBondContact O-N 2.89Å; L362-R365 WeakPolarHBondContact O-CB 3.5Å; L362-R365 PolarHBondContact O-N 2.92Å; Y363-R365 PolarHBondContact O-N 3.07Å; R365-S367 VanDerWaalsContact C-N 3.34Å; R365-R368 PolarHBondContact O-N 2.96Å |
| 366 | K | 49.4 | Very low | 53.9 | Low | 167 Ų | 167 | 121.8 Ų | 121.8 | 73% | 0.726 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.2 | -34.4 | 174.5 | -102.4 | -174.5 | 175 | -175.6 | 0 | 112.7 | L362 Y363 R368 L369 | L362-K366 PolarHBondContact O-N 3.39Å; Y363-K366 PolarHBondContact O-N 2.96Å; K366-R368 PolarHBondContact O-N 3.02Å; K366-L369 PolarHBondContact O-N 3.05Å |
| 367 | S | 51.3 | Low | 53 | Low | 85 Ų | 85 | 131.8 Ų | 131.8 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -8 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | Y363 C364 R365 | Y363-S367 PolarHBondContact O-N 3.1Å; Y363-S367 PolarHBondContact O-OG 3.28Å; C364-S367 WeakPolarHBondContact CA-OG 3.43Å; C364-S367 PolarHBondContact O-OG 3.16Å; R365-S367 VanDerWaalsContact C-N 3.34Å |
| 368 | R | 47.7 | Very low | 52 | Low | 211 Ų | 211 | 135.9 Ų | 135.9 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -0.5 | 175.5 | -73.2 | -173.8 | -151.3 | -120.7 | 5.9 | 113.9 | C364 R365 K366 | C364-R368 WeakPolarHBondContact O-CG 3.22Å; R365-R368 PolarHBondContact O-N 2.96Å; K366-R368 PolarHBondContact O-N 3.02Å |
| 369 | L | 42.4 | Very low | 51 | Low | 122 Ų | 122 | 140.1 Ų | 140.1 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -86.6 | 124.3 | 168.4 | -80.3 | 150.3 | 0 | 0 | 0 | 107.6 | K366 R371 | K366-L369 PolarHBondContact O-N 3.05Å; L369-R371 PolarHBondContact O-N 3.43Å |
| 370 | P | 40.5 | Very low | 49.9 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | trans | -58.5 | 129.5 | 174.4 | 22 | -27.4 | 0 | 0 | 0 | 108.3 | E372 | P370-E372 PolarHBondContact O-N 3.44Š| ||
| 371 | R | 41 | Very low | 48.8 | Very low | 225 Ų | 225 | 148.8 Ų | 148.8 | 85% | 0.849 | 73% | 0.73 | S | S | * | * | trans | -59.4 | 110.7 | 168.6 | -88.7 | 177.7 | 167.4 | 176.3 | -5.5 | 106.7 | L369 | L369-R371 PolarHBondContact O-N 3.43Š| ||
| 372 | E | 43.3 | Very low | 47.6 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | -55.1 | 133.6 | 163.8 | -80.9 | -170.4 | 153.3 | 0 | 0 | 108.6 | P370 Y374 | P370-E372 PolarHBondContact O-N 3.44Å; E372-Y374 PolarHBondContact O-N 3.21Å | ||
| 373 | P | 42.4 | Very low | 46.7 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -68.4 | 116.7 | 175.8 | 27.1 | -30.2 | 0 | 0 | 0 | 108.2 | C375 | P373-C375 PolarHBondContact O-N 3.05Š| ||
| 374 | Y | 41 | Very low | 45.9 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -61 | 107.5 | 170.1 | -53.7 | -87 | 0 | 0 | 0 | 108.4 | E372 V376 | E372-Y374 PolarHBondContact O-N 3.21Å; Y374-V376 PolarHBondContact O-N 3.33Å | ||
| 375 | C | 40.1 | Very low | 45.3 | Very low | 123 Ų | 123 | 160.5 Ų | 160.5 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -75 | 111.6 | 166.8 | -153.8 | 0 | 0 | 0 | 0 | 106.9 | P373 I377 | P373-C375 PolarHBondContact O-N 3.05Å; C375-I377 PolarHBondContact O-N 3.38Å | ||
| 376 | V | 45.9 | Very low | 44.5 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 119.2 | 169.5 | -175 | 0 | 0 | 0 | 0 | 106.1 | Y374 | Y374-V376 PolarHBondContact O-N 3.33Š| ||
| 377 | I | 48.9 | Very low | 44.1 | Very low | 229 Ų | 229 | 157.6 Ų | 157.6 | 100% | 1.174 | 80% | 0.801 | S | S | * | * | trans | -78.5 | 0 | 170.7 | -62.1 | 173.3 | 0 | 0 | 0 | 108.6 | C375 | C375-I377 PolarHBondContact O-N 3.38Š|
Retrieved 377 of 377 residues in 99.5 ms
(Link to these results)