| 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 | 38.7 | Very low | 47 | Very low | 243 Ų | 243 | 158.1 Ų | 158.1 | 100% | 1.197 | 81% | 0.809 | S | S | * | * | 0 | 128.9 | 0 | -84 | 167.6 | 147.8 | 0 | 0 | 107.6 | T3 | M1-T3 PolarHBondContact O-N 2.78Š| |||
| 2 | K | 41.8 | Very low | 48.1 | Very low | 210 Ų | 210 | 149.6 Ų | 149.6 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -59.5 | 122.7 | 177.3 | -75.8 | 174.5 | 172.8 | 176.9 | 0 | 107.9 | A4 | K2-A4 PolarHBondContact O-N 2.79Å; K2-A4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | T | 43.8 | Very low | 49.5 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -55.1 | 117.3 | 165 | 33.8 | 0 | 0 | 0 | 0 | 106.4 | M1 C5 | M1-T3 PolarHBondContact O-N 2.78Å; T3-C5 VanDerWaalsContact C-N 3.28Å; T3-C5 PolarHBondContact O-N 2.83Å | ||
| 4 | A | 47.7 | Very low | 51.7 | Low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -59.5 | 103.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | K2 M6 | K2-A4 PolarHBondContact O-N 2.79Å; K2-A4 VanDerWaalsContact O-N 3.1Å; A4-M6 VanDerWaalsContact C-N 3.28Å; A4-M6 PolarHBondContact O-N 2.82Å | ||
| 5 | C | 44.9 | Very low | 53.8 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -54.7 | 106 | 163.7 | -75.3 | 0 | 0 | 0 | 0 | 104.6 | T3 E7 | T3-C5 VanDerWaalsContact C-N 3.28Å; T3-C5 PolarHBondContact O-N 2.83Å; C5-E7 PolarHBondContact O-N 3.3Å | ||
| 6 | M | 46.1 | Very low | 55.9 | Low | 178 Ų | 178 | 137 Ų | 137 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | trans | -53 | 111.4 | 165.3 | -77.3 | -173.5 | 161.3 | 0 | 0 | 105 | A4 I8 | A4-M6 VanDerWaalsContact C-N 3.28Å; A4-M6 PolarHBondContact O-N 2.82Å; M6-I8 PolarHBondContact O-N 3.2Å | ||
| 7 | E | 43.4 | Very low | 57.8 | Low | 183 Ų | 183 | 130.7 Ų | 130.7 | 86% | 0.855 | 68% | 0.679 | S | S | * | * | trans | -56.6 | 109.5 | 175.2 | -70.3 | -170 | 145.4 | 0 | 0 | 106 | C5 P9 | C5-E7 PolarHBondContact O-N 3.3Å; E7-P9 VanDerWaalsContact O-CD 3.26Å; E7-P9 WeakPolarHBondContact O-CD 3.25Å | ||
| 8 | I | 49.8 | Very low | 59.5 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | trans | -58.6 | 116.2 | 173.1 | -58.7 | 168.5 | 0 | 0 | 0 | 104.6 | M6 K10 | M6-I8 PolarHBondContact O-N 3.2Å; I8-K10 PolarHBondContact O-N 3.36Å | ||
| 9 | P | 52.6 | Low | 61.1 | Low | 78 Ų | 78 | 124.2 Ų | 124.2 | 51% | 0.506 | 64% | 0.64 | S | S | . | * | trans | -53.4 | 132.2 | -174.7 | 14.6 | -25.8 | 0 | 0 | 0 | 109.2 | E7 R11 | E7-P9 VanDerWaalsContact O-CD 3.26Å; E7-P9 WeakPolarHBondContact O-CD 3.25Å; P9-R11 PolarHBondContact O-N 2.95Å | ||
| 10 | K | 54 | Low | 62.6 | Low | 200 Ų | 200 | 121.7 Ų | 121.7 | 87% | 0.87 | 63% | 0.631 | S | S | * | * | trans | -46.1 | 109.5 | -179.8 | -85.4 | 177.5 | 176.5 | 172.2 | 0 | 108.8 | I8 T12 | I8-K10 PolarHBondContact O-N 3.36Å; K10-T12 PolarHBondContact O-N 3.13Å | ||
| 11 | R | 54.4 | Low | 64 | Low | 174 Ų | 174 | 117.8 Ų | 117.8 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | trans | -56.5 | 107.5 | 178.3 | -73.6 | -173.1 | -177.8 | -175.3 | -1.7 | 109.1 | P9 | P9-R11 PolarHBondContact O-N 2.95Š| ||
| 12 | T | 60.3 | Low | 66.6 | Low | 56 Ų | 56 | 107.5 Ų | 107.5 | 34% | 0.344 | 56% | 0.559 | S | S | . | * | trans | -84.7 | 124.1 | 173.4 | 18.9 | 0 | 0 | 0 | 0 | 108.9 | K10 D14 S17 Q21 | K10-T12 PolarHBondContact O-N 3.13Å; T12-D14 PolarHBondContact O-N 3.28Å; T12-S17 VanDerWaalsContact CB-OG 3.29Å; T12-S17 WeakPolarHBondContact CB-OG 3.42Å; T12-S17 WeakPolarHBondContact OG1-CB 3.27Å; T12-S17 PolarHBondContact OG1-OG 2.9Å; T12-Q21 PolarHBondContact OG1-NE2 3.27Å | ||
| 13 | N | 65.7 | Low | 69.1 | Low | 131 Ų | 131 | 101.1 Ų | 101.1 | 70% | 0.701 | 54% | 0.535 | S | S | * | . | trans | -80.4 | 15 | 175.7 | -66.4 | -32.1 | 0 | 0 | 0 | 112.8 | L79 | N13-L79 HydrophobicContact CB-CD2 4.47Å; N13-L79 VanDerWaalsContact O-CD2 3.31Å; N13-L79 WeakPolarHBondContact O-CD2 3.33Å | ||
| 14 | D | 81.1 | Confident | 71.6 | Confident | 82 Ų | 82 | 98.9 Ų | 98.9 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | trans | -95 | 131.1 | -179.8 | 176.1 | 69.6 | 0 | 0 | 0 | 110.2 | T12 L16 S17 V18 | T12-D14 PolarHBondContact O-N 3.28Å; D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 3.17Å; D14-L16 WeakPolarHBondContact OD2-CA 3.35Å; D14-L16 VanDerWaalsContact OD2-CB 3.26Å; D14-L16 WeakPolarHBondContact OD2-CB 3.12Å; D14-L16 PolarHBondContact OD2-N 3.15Å; D14-S17 WeakPolarHBondContact O-CB 3.44Å; D14-S17 PolarHBondContact O-N 3.44Å; D14-S17 VanDerWaalsContact O-N 3.11Å; D14-S17 PolarHBondContact OD2-N 2.88Å; D14-V18 PolarHBondContact O-N 3.14Å | ||
| 15 | I | 82.9 | Confident | 73.8 | Confident | 64 Ų | 64 | 94.7 Ų | 94.7 | 33% | 0.328 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | -175.8 | -68.7 | 172.5 | 0 | 0 | 0 | 111.3 | S17 V18 K19 L79 F80 | I15-S17 VanDerWaalsContact C-N 3.33Å; I15-V18 PolarHBondContact O-N 2.93Å; I15-K19 WeakPolarHBondContact O-CB 3.43Å; I15-K19 PolarHBondContact O-N 3.42Å; I15-L79 HydrophobicContact CD1-CB 4.35Å; I15-L79 HydrophobicContact CG1-CB 3.82Å; I15-L79 HydrophobicContact CG1-CD1 3.97Å; I15-L79 HydrophobicContact CG1-CG 4.46Å; I15-F80 HydrophobicContact CD1-CD1 4.34Å; I15-F80 HydrophobicContact CD1-CE1 4.18Å; I15-F80 HydrophobicContact CD1-CZ 4.38Å; I15-F80 HydrophobicContact CG2-CE1 4.05Å; I15-F80 HydrophobicContact CG2-CE2 3.79Å; I15-F80 HydrophobicContact CG2-CZ 3.35Å |
| 16 | L | 86.6 | Confident | 76.2 | Confident | 120 Ų | 120 | 93 Ų | 93 | 63% | 0.628 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.5 | -40 | 178.3 | -61 | 172 | 0 | 0 | 0 | 110 | D14 K19 T20 | D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 3.17Å; D14-L16 WeakPolarHBondContact OD2-CA 3.35Å; D14-L16 VanDerWaalsContact OD2-CB 3.26Å; D14-L16 WeakPolarHBondContact OD2-CB 3.12Å; D14-L16 PolarHBondContact OD2-N 3.15Å; L16-K19 PolarHBondContact O-N 3.26Å; L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 2.79Å; L16-T20 VanDerWaalsContact O-OG1 3.08Å |
| 17 | S | 88.6 | Confident | 78.6 | Confident | 30 Ų | 30 | 89.3 Ų | 89.3 | 21% | 0.21 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.5 | -163.6 | 0 | 0 | 0 | 0 | 112.8 | T12 D14 I15 K19 T20 Q21 | T12-S17 VanDerWaalsContact CB-OG 3.29Å; T12-S17 WeakPolarHBondContact CB-OG 3.42Å; T12-S17 WeakPolarHBondContact OG1-CB 3.27Å; T12-S17 PolarHBondContact OG1-OG 2.9Å; D14-S17 WeakPolarHBondContact O-CB 3.44Å; D14-S17 PolarHBondContact O-N 3.44Å; D14-S17 VanDerWaalsContact O-N 3.11Å; D14-S17 PolarHBondContact OD2-N 2.88Å; I15-S17 VanDerWaalsContact C-N 3.33Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.32Å; S17-T20 PolarHBondContact O-N 3.47Å; S17-Q21 WeakPolarHBondContact O-CG 3.48Å; S17-Q21 PolarHBondContact O-N 2.98Å; S17-Q21 PolarHBondContact OG-NE2 2.97Å |
| 18 | V | 88.1 | Confident | 81 | Confident | 6 Ų | 6 | 83.6 Ų | 83.6 | 4% | 0.036 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | D14 I15 T20 Q21 I22 I75 L79 | D14-V18 PolarHBondContact O-N 3.14Å; I15-V18 PolarHBondContact O-N 2.93Å; V18-T20 PolarHBondContact O-N 2.94Å; V18-Q21 PolarHBondContact O-N 3.14Å; V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 HydrophobicContact CG1-CG1 4.4Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.32Å; V18-I22 PolarHBondContact O-N 3.37Å; V18-I75 HydrophobicContact CG2-CG2 3.9Å; V18-L79 HydrophobicContact CB-CD1 4.39Å; V18-L79 HydrophobicContact CG2-CD1 3.69Å |
| 19 | K | 89.8 | Confident | 83.2 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 175.6 | -178.3 | -178.5 | 176.4 | -177.4 | 0 | 111.9 | I15 L16 S17 I22 N23 | I15-K19 WeakPolarHBondContact O-CB 3.43Å; I15-K19 PolarHBondContact O-N 3.42Å; L16-K19 PolarHBondContact O-N 3.26Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.32Å; K19-I22 PolarHBondContact O-N 3.4Å; K19-N23 PolarHBondContact O-N 2.91Å; K19-N23 VanDerWaalsContact O-N 3.08Å; K19-N23 PolarHBondContact O-ND2 3.39Å |
| 20 | T | 92.4 | Very high | 85.3 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | L16 S17 V18 I22 N23 D24 | L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 2.79Å; L16-T20 VanDerWaalsContact O-OG1 3.08Å; S17-T20 PolarHBondContact O-N 3.47Å; V18-T20 PolarHBondContact O-N 2.94Å; T20-I22 VanDerWaalsContact C-N 3.33Å; T20-I22 PolarHBondContact O-N 3.02Å; T20-N23 WeakPolarHBondContact O-CB 3.43Å; T20-N23 PolarHBondContact O-N 3.27Å; T20-N23 VanDerWaalsContact O-N 3.1Å; T20-D24 VanDerWaalsContact O-CG 3.28Å; T20-D24 PolarHBondContact O-N 2.89Å |
| 21 | Q | 91.9 | Very high | 87.1 | Confident | 40 Ų | 40 | 73 Ų | 73 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 177.9 | -71.5 | 171.1 | 41.2 | 0 | 0 | 112.4 | T12 S17 V18 N23 D24 V25 L72 | T12-Q21 PolarHBondContact OG1-NE2 3.27Å; S17-Q21 WeakPolarHBondContact O-CG 3.48Å; S17-Q21 PolarHBondContact O-N 2.98Å; S17-Q21 PolarHBondContact OG-NE2 2.97Å; V18-Q21 PolarHBondContact O-N 3.14Å; Q21-N23 VanDerWaalsContact C-N 3.33Å; Q21-N23 PolarHBondContact O-N 3.4Å; Q21-D24 PolarHBondContact O-N 2.79Å; Q21-V25 WeakPolarHBondContact O-CG2 3.31Å; Q21-V25 PolarHBondContact O-N 3.43Å; Q21-L72 HydrophobicContact CB-CD1 3.75Å; Q21-L72 HydrophobicContact CB-CD2 3.87Å; Q21-L72 HydrophobicContact CB-CG 4.48Å; Q21-L72 VanDerWaalsContact OE1-CD2 3.23Å |
| 22 | I | 92.8 | Very high | 88.9 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.5 | -74.5 | 170.7 | 0 | 0 | 0 | 110.7 | V18 K19 T20 D24 V25 I26 L69 L72 W73 | V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 HydrophobicContact CG1-CG1 4.4Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.32Å; V18-I22 PolarHBondContact O-N 3.37Å; K19-I22 PolarHBondContact O-N 3.4Å; T20-I22 VanDerWaalsContact C-N 3.33Å; T20-I22 PolarHBondContact O-N 3.02Å; I22-D24 VanDerWaalsContact C-N 3.35Å; I22-V25 PolarHBondContact O-N 3.24Å; I22-I26 HydrophobicContact CG2-CD1 3.73Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.26Å; I22-I26 PolarHBondContact O-N 2.93Å; I22-L69 HydrophobicContact CB-CD1 4.38Å; I22-L69 HydrophobicContact CG1-CD1 4.3Å; I22-L69 HydrophobicContact CG2-CD1 3.88Å; I22-L72 HydrophobicContact CD1-CB 4.36Å; I22-L72 HydrophobicContact CG1-CB 3.71Å; I22-L72 HydrophobicContact CG1-CD1 4.27Å; I22-W73 HydrophobicContact CD1-CE3 4.48Å |
| 23 | N | 94.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 178.1 | -71.4 | -29.7 | 0 | 0 | 0 | 111.9 | K19 T20 Q21 I26 N27 | K19-N23 PolarHBondContact O-N 2.91Å; K19-N23 VanDerWaalsContact O-N 3.08Å; K19-N23 PolarHBondContact O-ND2 3.39Å; T20-N23 WeakPolarHBondContact O-CB 3.43Å; T20-N23 PolarHBondContact O-N 3.27Å; T20-N23 VanDerWaalsContact O-N 3.1Å; Q21-N23 VanDerWaalsContact C-N 3.33Å; Q21-N23 PolarHBondContact O-N 3.4Å; N23-I26 PolarHBondContact O-N 3.46Å; N23-N27 PolarHBondContact O-N 2.87Å; N23-N27 PolarHBondContact O-ND2 2.7Å; N23-N27 VanDerWaalsContact O-ND2 3.15Å |
| 24 | D | 95.1 | Very high | 91.7 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.4 | -65.6 | -22.9 | 0 | 0 | 0 | 110.9 | T20 Q21 I22 I26 N27 D28 | T20-D24 VanDerWaalsContact O-CG 3.28Å; T20-D24 PolarHBondContact O-N 2.89Å; Q21-D24 PolarHBondContact O-N 2.79Å; I22-D24 VanDerWaalsContact C-N 3.35Å; D24-I26 PolarHBondContact O-N 3.31Å; D24-N27 WeakPolarHBondContact O-CB 3.43Å; D24-N27 PolarHBondContact O-N 2.99Å; D24-D28 PolarHBondContact O-N 3.16Å |
| 25 | V | 94.8 | Very high | 92 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 112 | Q21 I22 N27 D28 L29 K65 E68 L69 L72 | Q21-V25 WeakPolarHBondContact O-CG2 3.31Å; Q21-V25 PolarHBondContact O-N 3.43Å; I22-V25 PolarHBondContact O-N 3.24Å; V25-N27 VanDerWaalsContact C-N 3.35Å; V25-D28 PolarHBondContact O-N 2.83Å; V25-L29 HydrophobicContact CG1-CD1 4.19Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.28Å; V25-K65 HydrophobicContact CG1-CB 4.31Å; V25-K65 HydrophobicContact CG1-CD 4.26Å; V25-K65 WeakPolarHBondContact CG1-O 3.41Å; V25-E68 HydrophobicContact CG2-CB 4.49Å; V25-E68 HydrophobicContact CG2-CG 3.91Å; V25-L69 HydrophobicContact CG1-CB 3.76Å; V25-L69 HydrophobicContact CG1-CD1 4.42Å; V25-L72 HydrophobicContact CG2-CD1 3.79Å |
| 26 | I | 95.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174 | -71.8 | 167.2 | 0 | 0 | 0 | 110.8 | I22 N23 D24 D28 L29 D30 L69 | I22-I26 HydrophobicContact CG2-CD1 3.73Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.26Å; I22-I26 PolarHBondContact O-N 2.93Å; N23-I26 PolarHBondContact O-N 3.46Å; D24-I26 PolarHBondContact O-N 3.31Å; I26-D28 VanDerWaalsContact C-N 3.35Å; I26-L29 PolarHBondContact O-N 3.1Å; I26-D30 PolarHBondContact O-N 2.87Å; I26-L69 HydrophobicContact CG1-CD1 4.22Å; I26-L69 HydrophobicContact CG1-CD2 4.31Å |
| 27 | N | 96 | Very high | 92.3 | Very high | 100 Ų | 100 | 62.2 Ų | 62.2 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 176.8 | -69.6 | -31.2 | 0 | 0 | 0 | 111.5 | N23 D24 V25 D30 L31 | N23-N27 PolarHBondContact O-N 2.87Å; N23-N27 PolarHBondContact O-ND2 2.7Å; N23-N27 VanDerWaalsContact O-ND2 3.15Å; D24-N27 WeakPolarHBondContact O-CB 3.43Å; D24-N27 PolarHBondContact O-N 2.99Å; V25-N27 VanDerWaalsContact C-N 3.35Å; N27-D30 PolarHBondContact O-N 2.87Å; N27-L31 WeakPolarHBondContact O-CB 3.36Å; N27-L31 PolarHBondContact O-N 3.48Å |
| 28 | D | 94.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 173.8 | -74.8 | -16.4 | 0 | 0 | 0 | 111.2 | D24 V25 I26 L31 I32 K65 | D24-D28 PolarHBondContact O-N 3.16Å; V25-D28 PolarHBondContact O-N 2.83Å; I26-D28 VanDerWaalsContact C-N 3.35Å; D28-L31 PolarHBondContact O-N 3.45Å; D28-I32 WeakPolarHBondContact O-CD1 3.27Å; D28-I32 WeakPolarHBondContact O-CG1 3.41Å; D28-I32 PolarHBondContact O-N 2.94Å; D28-K65 HydrophobicContact CB-CD 3.92Å; D28-K65 HydrophobicContact CB-CG 4.39Å; D28-K65 WeakPolarHBondContact OD2-CE 3.44Å; D28-K65 IonicContact OD2-NZ 2.94Å; D28-K65 PolarHBondContact OD2-NZ 2.65Å |
| 29 | L | 95.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.6 | -73.5 | 168.7 | 0 | 0 | 0 | 112.3 | V25 I26 I32 C33 F62 K65 L69 | V25-L29 HydrophobicContact CG1-CD1 4.19Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.28Å; I26-L29 PolarHBondContact O-N 3.1Å; L29-I32 PolarHBondContact O-N 2.94Å; L29-C33 WeakPolarHBondContact O-CB 3.49Å; L29-C33 PolarHBondContact O-N 2.93Å; L29-C33 PolarHBondContact O-SG 3.33Å; L29-C33 VanDerWaalsContact O-SG 3.35Å; L29-F62 HydrophobicContact CD2-CD2 3.59Å; L29-F62 HydrophobicContact CD2-CE2 3.62Å; L29-F62 HydrophobicContact CD2-CG 4.13Å; L29-F62 HydrophobicContact CD2-CZ 4.18Å; L29-K65 HydrophobicContact CD2-CB 3.6Å; L29-K65 HydrophobicContact CG-CB 3.95Å; L29-L69 HydrophobicContact CD1-CD2 3.92Å |
| 30 | D | 95.4 | Very high | 91.6 | Very high | 73 Ų | 73 | 66 Ų | 66 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.4 | -176.2 | 58 | 0 | 0 | 0 | 111.1 | I26 N27 I32 C33 R34 | I26-D30 PolarHBondContact O-N 2.87Å; N27-D30 PolarHBondContact O-N 2.87Å; D30-I32 PolarHBondContact O-N 3.14Å; D30-C33 WeakPolarHBondContact O-CB 3.48Å; D30-C33 PolarHBondContact O-N 3.38Å; D30-R34 WeakPolarHBondContact O-CG 3.46Å; D30-R34 PolarHBondContact O-N 2.86Å; D30-R34 IonicContact OD1-NE 3.71Å; D30-R34 IonicContact OD2-CZ 3.06Å; D30-R34 IonicContact OD2-NE 2.83Å; D30-R34 PolarHBondContact OD2-NE 2.94Å; D30-R34 IonicContact OD2-NH2 2.7Å; D30-R34 PolarHBondContact OD2-NH2 3.47Å |
| 31 | L | 93.5 | Very high | 91.2 | Very high | 104 Ų | 104 | 67.8 Ų | 67.8 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.9 | -177.8 | 61 | 0 | 0 | 0 | 111.7 | N27 D28 C33 R34 V35 | N27-L31 WeakPolarHBondContact O-CB 3.36Å; N27-L31 PolarHBondContact O-N 3.48Å; D28-L31 PolarHBondContact O-N 3.45Å; L31-C33 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 3.45Å; L31-R34 PolarHBondContact O-N 3.47Å; L31-V35 HydrophobicContact CD1-CG2 4.44Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 3.39Å |
| 32 | I | 92.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 177.4 | -66.8 | 160 | 0 | 0 | 0 | 110.5 | D28 L29 D30 R34 V35 M36 L58 L61 F62 K65 | D28-I32 WeakPolarHBondContact O-CD1 3.27Å; D28-I32 WeakPolarHBondContact O-CG1 3.41Å; D28-I32 PolarHBondContact O-N 2.94Å; L29-I32 PolarHBondContact O-N 2.94Å; D30-I32 PolarHBondContact O-N 3.14Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-R34 PolarHBondContact O-N 3.23Å; I32-V35 PolarHBondContact O-N 3.3Å; I32-M36 HydrophobicContact CG2-SD 4.15Å; I32-M36 WeakPolarHBondContact O-CB 3.21Å; I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.96Å; I32-L58 HydrophobicContact CG2-CB 4.41Å; I32-L58 HydrophobicContact CG2-CD2 4.31Å; I32-L61 HydrophobicContact CD1-CB 4.33Å; I32-L61 HydrophobicContact CD1-CD2 3.75Å; I32-L61 HydrophobicContact CD1-CG 3.66Å; I32-L61 HydrophobicContact CG1-CD2 3.98Å; I32-L61 HydrophobicContact CG1-CG 4.4Å; I32-F62 HydrophobicContact CG2-CB 4.01Å; I32-F62 HydrophobicContact CG2-CD2 4.06Å; I32-K65 HydrophobicContact CD1-CG 4.18Å |
| 33 | C | 92.3 | Very high | 90.2 | Very high | 58 Ų | 58 | 70.5 Ų | 70.5 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 176.4 | -76.8 | 0 | 0 | 0 | 0 | 112.4 | L29 D30 L31 M36 A37 | L29-C33 WeakPolarHBondContact O-CB 3.49Å; L29-C33 PolarHBondContact O-N 2.93Å; L29-C33 PolarHBondContact O-SG 3.33Å; L29-C33 VanDerWaalsContact O-SG 3.35Å; D30-C33 WeakPolarHBondContact O-CB 3.48Å; D30-C33 PolarHBondContact O-N 3.38Å; L31-C33 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 3.45Å; C33-M36 PolarHBondContact O-N 3.39Å; C33-A37 WeakPolarHBondContact O-CB 3.5Å; C33-A37 PolarHBondContact O-N 2.94Å |
| 34 | R | 91.5 | Very high | 89.3 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 56% | 0.562 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.4 | -47 | 176.6 | -71.6 | 177.1 | -167.9 | -158.3 | 6.5 | 111.9 | D30 L31 I32 M36 A37 E38 | D30-R34 WeakPolarHBondContact O-CG 3.46Å; D30-R34 PolarHBondContact O-N 2.86Å; D30-R34 IonicContact OD1-NE 3.71Å; D30-R34 IonicContact OD2-CZ 3.06Å; D30-R34 IonicContact OD2-NE 2.83Å; D30-R34 PolarHBondContact OD2-NE 2.94Å; D30-R34 IonicContact OD2-NH2 2.7Å; D30-R34 PolarHBondContact OD2-NH2 3.47Å; L31-R34 PolarHBondContact O-N 3.47Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-R34 PolarHBondContact O-N 3.23Å; R34-M36 VanDerWaalsContact C-N 3.3Å; R34-M36 PolarHBondContact O-N 2.9Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-A37 VanDerWaalsContact O-N 3.16Å; R34-E38 WeakPolarHBondContact O-CG 3.45Å; R34-E38 PolarHBondContact O-N 3.35Å |
| 35 | V | 88.6 | Confident | 88.3 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 111 | L31 I32 F39 L58 | L31-V35 HydrophobicContact CD1-CG2 4.44Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 3.39Å; I32-V35 PolarHBondContact O-N 3.3Å; V35-F39 WeakPolarHBondContact O-CB 3.41Å; V35-F39 PolarHBondContact O-N 2.92Å; V35-L58 HydrophobicContact CB-CD1 4.4Å; V35-L58 HydrophobicContact CG1-CD1 3.63Å; V35-L58 HydrophobicContact CG1-CD2 4.3Å |
| 36 | M | 87.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 173.7 | -78 | 180 | 38.3 | 0 | 0 | 112.3 | I32 C33 R34 F39 V40 L58 | I32-M36 HydrophobicContact CG2-SD 4.15Å; I32-M36 WeakPolarHBondContact O-CB 3.21Å; I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.96Å; C33-M36 PolarHBondContact O-N 3.39Å; R34-M36 VanDerWaalsContact C-N 3.3Å; R34-M36 PolarHBondContact O-N 2.9Å; M36-F39 PolarHBondContact O-N 2.92Å; M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.38Å; M36-V40 PolarHBondContact O-N 3.48Å; M36-L58 HydrophobicContact CG-CB 4.26Å; M36-L58 HydrophobicContact CG-CD1 4.24Å |
| 37 | A | 87.8 | Confident | 85.9 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C33 R34 F39 V40 T41 | C33-A37 WeakPolarHBondContact O-CB 3.5Å; C33-A37 PolarHBondContact O-N 2.94Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-A37 VanDerWaalsContact O-N 3.16Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.9Å; A37-V40 PolarHBondContact O-N 3.39Å; A37-T41 WeakPolarHBondContact O-CB 3.46Å; A37-T41 WeakPolarHBondContact O-CG2 3.35Å; A37-T41 PolarHBondContact O-N 3.3Å; A37-T41 PolarHBondContact O-OG1 3.37Å |
| 38 | E | 85.3 | Confident | 84.5 | Confident | 112 Ų | 112 | 89.9 Ų | 89.9 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.9 | -47.4 | 171.9 | -74 | 178.4 | -166.3 | 0 | 0 | 110.8 | R34 V40 T41 M42 | R34-E38 WeakPolarHBondContact O-CG 3.45Å; R34-E38 PolarHBondContact O-N 3.35Å; E38-V40 PolarHBondContact O-N 2.99Å; E38-T41 WeakPolarHBondContact CA-OG1 3.26Å; E38-T41 PolarHBondContact O-N 3.3Å; E38-T41 PolarHBondContact O-OG1 2.98Å; E38-M42 HydrophobicContact CB-CE 4.43Å; E38-M42 VanDerWaalsContact O-CG 3.27Å; E38-M42 WeakPolarHBondContact O-CG 3.43Å; E38-M42 PolarHBondContact O-N 3.15Å |
| 39 | F | 82.8 | Confident | 82.8 | Confident | 34 Ų | 34 | 96.1 Ų | 96.1 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 179.3 | 179.2 | -104.4 | 0 | 0 | 0 | 113.5 | V35 M36 A37 T41 M42 R47 T51 T55 | V35-F39 WeakPolarHBondContact O-CB 3.41Å; V35-F39 PolarHBondContact O-N 2.92Å; M36-F39 PolarHBondContact O-N 2.92Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.9Å; F39-T41 VanDerWaalsContact C-N 3.3Å; F39-T41 PolarHBondContact O-N 2.94Å; F39-M42 HydrophobicContact CD2-SD 4.47Å; F39-M42 PolarHBondContact O-N 3.34Å; F39-R47 HydrophobicContact CE2-CB 4.29Å; F39-R47 HydrophobicContact CE2-CG 3.88Å; F39-R47 HydrophobicContact CZ-CG 4.23Å; F39-T51 HydrophobicContact CD2-CG2 4.3Å; F39-T51 HydrophobicContact CE2-CG2 4Å; F39-T51 WeakPolarHBondContact CE2-OG1 3.31Å; F39-T55 HydrophobicContact CD1-CG2 3.11Å; F39-T55 HydrophobicContact CE1-CG2 3.18Å; F39-T55 HydrophobicContact CG-CG2 3.86Å; F39-T55 HydrophobicContact CZ-CG2 4.01Å |
| 40 | V | 83.2 | Confident | 81.1 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.3 | -34.6 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | M36 A37 E38 R47 | M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.38Å; M36-V40 PolarHBondContact O-N 3.48Å; A37-V40 PolarHBondContact O-N 3.39Å; E38-V40 PolarHBondContact O-N 2.99Å; V40-R47 PolarHBondContact O-NH2 3.23Å; V40-R47 VanDerWaalsContact O-NH2 3.14Å |
| 41 | T | 84.5 | Confident | 79.5 | Confident | 112 Ų | 112 | 95 Ų | 95 | 69% | 0.687 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -82.8 | -14.1 | 179.3 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | A37 E38 F39 | A37-T41 WeakPolarHBondContact O-CB 3.46Å; A37-T41 WeakPolarHBondContact O-CG2 3.35Å; A37-T41 PolarHBondContact O-N 3.3Å; A37-T41 PolarHBondContact O-OG1 3.37Å; E38-T41 WeakPolarHBondContact CA-OG1 3.26Å; E38-T41 PolarHBondContact O-N 3.3Å; E38-T41 PolarHBondContact O-OG1 2.98Å; F39-T41 VanDerWaalsContact C-N 3.3Å; F39-T41 PolarHBondContact O-N 2.94Å |
| 42 | M | 81.5 | Confident | 77.9 | Confident | 64 Ų | 64 | 97 Ų | 97 | 32% | 0.315 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -61.9 | 137.4 | 176.2 | -82.6 | 173.1 | -168.7 | 0 | 0 | 112.1 | E38 F39 R47 | E38-M42 HydrophobicContact CB-CE 4.43Å; E38-M42 VanDerWaalsContact O-CG 3.27Å; E38-M42 WeakPolarHBondContact O-CG 3.43Å; E38-M42 PolarHBondContact O-N 3.15Å; F39-M42 HydrophobicContact CD2-SD 4.47Å; F39-M42 PolarHBondContact O-N 3.34Å; M42-R47 HydrophobicContact CB-CG 4.37Å; M42-R47 PolarHBondContact O-NE 3.32Å; M42-R47 PolarHBondContact O-NH2 2.94Å |
| 43 | P | 81.3 | Confident | 76.4 | Confident | 60 Ų | 60 | 103 Ų | 103 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | trans | -55.8 | 145.2 | 171.5 | -23 | 32.3 | 0 | 0 | 0 | 111.8 | E45 Q46 R47 | P43-E45 VanDerWaalsContact CB-OE2 3.25Å; P43-E45 WeakPolarHBondContact CB-OE2 3.45Å; P43-E45 PolarHBondContact O-N 3.35Å; P43-E45 VanDerWaalsContact O-N 3.13Å; P43-Q46 HydrophobicContact CB-CG 4.5Å; P43-Q46 PolarHBondContact O-N 2.86Å; P43-R47 PolarHBondContact O-N 3.45Å | ||
| 44 | K | 75.7 | Confident | 75.5 | Confident | 160 Ų | 160 | 106.8 Ų | 106.8 | 70% | 0.696 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.4 | -176.3 | -73 | -178.2 | 178.1 | 177.7 | 0 | 112.2 | Q46 R47 | K44-Q46 PolarHBondContact O-N 2.79Å; K44-R47 PolarHBondContact O-N 3.29Å |
| 45 | E | 74.9 | Confident | 74.9 | Confident | 158 Ų | 158 | 101.8 Ų | 101.8 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.9 | 179.7 | -56.4 | 70.7 | -150.8 | 0 | 0 | 112.1 | P43 | P43-E45 VanDerWaalsContact CB-OE2 3.25Å; P43-E45 WeakPolarHBondContact CB-OE2 3.45Å; P43-E45 PolarHBondContact O-N 3.35Å; P43-E45 VanDerWaalsContact O-N 3.13Å |
| 46 | Q | 73.1 | Confident | 74.7 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -18.1 | 177.1 | -63.2 | -176.4 | 8.1 | 0 | 0 | 112.7 | P43 K44 R48 | P43-Q46 HydrophobicContact CB-CG 4.5Å; P43-Q46 PolarHBondContact O-N 2.86Å; K44-Q46 PolarHBondContact O-N 2.79Å; Q46-R48 PolarHBondContact O-N 2.89Å |
| 47 | R | 68 | Low | 74.7 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 38% | 0.377 | 52% | 0.524 | S | S | . | . | trans | -74.3 | 67.6 | 174.8 | -59 | -178.4 | -151.5 | 179.1 | -1.7 | 110.4 | F39 V40 M42 P43 K44 | F39-R47 HydrophobicContact CE2-CB 4.29Å; F39-R47 HydrophobicContact CE2-CG 3.88Å; F39-R47 HydrophobicContact CZ-CG 4.23Å; V40-R47 PolarHBondContact O-NH2 3.23Å; V40-R47 VanDerWaalsContact O-NH2 3.14Å; M42-R47 HydrophobicContact CB-CG 4.37Å; M42-R47 PolarHBondContact O-NE 3.32Å; M42-R47 PolarHBondContact O-NH2 2.94Å; P43-R47 PolarHBondContact O-N 3.45Å; K44-R47 PolarHBondContact O-N 3.29Å | ||
| 48 | R | 66 | Low | 74.8 | Confident | 205 Ų | 205 | 101 Ų | 101 | 77% | 0.774 | 51% | 0.51 | S | S | * | . | trans | -60.7 | 141.2 | 170.6 | -66.9 | -175.7 | 175.3 | -173.4 | -1.1 | 108.9 | Q46 G50 T51 | Q46-R48 PolarHBondContact O-N 2.89Å; R48-G50 PolarHBondContact O-N 3.28Å; R48-T51 PolarHBondContact O-N 2.95Å; R48-T51 PolarHBondContact O-OG1 2.95Å | ||
| 49 | F | 58.2 | Low | 74.9 | Confident | 193 Ų | 193 | 97.8 Ų | 97.8 | 85% | 0.846 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.2 | -35.3 | -178.7 | -88.1 | -90.9 | 0 | 0 | 0 | 116.3 | T51 M52 | F49-T51 PolarHBondContact O-N 3.41Å; F49-T51 VanDerWaalsContact O-N 3.17Å; F49-M52 PolarHBondContact O-N 3.08Å |
| 50 | G | 59.4 | Low | 75.4 | Confident | 43 Ų | 43 | 101.7 Ų | 101.7 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -17.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | R48 K54 | R48-G50 PolarHBondContact O-N 3.28Å; G50-K54 WeakPolarHBondContact O-CG 3.16Å |
| 51 | T | 62.9 | Low | 75.8 | Confident | 27 Ų | 27 | 100.6 Ų | 100.6 | 17% | 0.166 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -81.4 | -29.1 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | F39 R48 F49 K54 T55 | F39-T51 HydrophobicContact CD2-CG2 4.3Å; F39-T51 HydrophobicContact CE2-CG2 4Å; F39-T51 WeakPolarHBondContact CE2-OG1 3.31Å; R48-T51 PolarHBondContact O-N 2.95Å; R48-T51 PolarHBondContact O-OG1 2.95Å; F49-T51 PolarHBondContact O-N 3.41Å; F49-T51 VanDerWaalsContact O-N 3.17Å; T51-K54 WeakPolarHBondContact O-CB 3.39Å; T51-K54 PolarHBondContact O-N 3.37Å; T51-K54 VanDerWaalsContact O-N 3.14Å; T51-T55 PolarHBondContact O-N 3.46Å; T51-T55 VanDerWaalsContact O-N 3.15Å |
| 52 | M | 60.3 | Low | 76.2 | Confident | 146 Ų | 146 | 98.8 Ų | 98.8 | 72% | 0.719 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.2 | -35.1 | 176.6 | -170.3 | 176.6 | 179.9 | 0 | 0 | 111.7 | F49 K54 T55 | F49-M52 PolarHBondContact O-N 3.08Å; M52-K54 PolarHBondContact O-N 2.91Å; M52-T55 PolarHBondContact O-N 3.32Å; M52-T55 PolarHBondContact O-OG1 2.95Å |
| 53 | L | 59.8 | Low | 76.9 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 72% | 0.717 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -33.5 | 169 | -73.2 | 168.2 | 0 | 0 | 0 | 111.5 | V57 | L53-V57 WeakPolarHBondContact O-CG2 3.33Å |
| 54 | K | 74.2 | Confident | 77.5 | Confident | 139 Ų | 139 | 101 Ų | 101 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.3 | -31.8 | 176.5 | -69.3 | 174.6 | -177.7 | -171.8 | 0 | 112.7 | G50 T51 M52 V57 L58 | G50-K54 WeakPolarHBondContact O-CG 3.16Å; T51-K54 WeakPolarHBondContact O-CB 3.39Å; T51-K54 PolarHBondContact O-N 3.37Å; T51-K54 VanDerWaalsContact O-N 3.14Å; M52-K54 PolarHBondContact O-N 2.91Å; K54-V57 PolarHBondContact O-N 3.08Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.37Å; K54-L58 PolarHBondContact O-N 3.1Å |
| 55 | T | 78.3 | Confident | 78.4 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 26% | 0.264 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | -180 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | F39 T51 M52 L58 A59 | F39-T55 HydrophobicContact CD1-CG2 3.11Å; F39-T55 HydrophobicContact CE1-CG2 3.18Å; F39-T55 HydrophobicContact CG-CG2 3.86Å; F39-T55 HydrophobicContact CZ-CG2 4.01Å; T51-T55 PolarHBondContact O-N 3.46Å; T51-T55 VanDerWaalsContact O-N 3.15Å; M52-T55 PolarHBondContact O-N 3.32Å; M52-T55 PolarHBondContact O-OG1 2.95Å; T55-L58 PolarHBondContact O-N 3.23Å; T55-A59 WeakPolarHBondContact O-CB 3.48Å; T55-A59 PolarHBondContact O-N 2.95Å |
| 56 | G | 84.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 89.5 Ų | 89.5 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L58 A59 D60 | G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 2.89Å; G56-A59 WeakPolarHBondContact O-CB 3.37Å; G56-A59 PolarHBondContact O-N 3.43Å; G56-A59 VanDerWaalsContact O-N 3.14Å; G56-D60 PolarHBondContact O-N 3.33Å |
| 57 | V | 87.6 | Confident | 80.2 | Confident | 99 Ų | 99 | 86 Ų | 86 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | L53 K54 L61 | L53-V57 WeakPolarHBondContact O-CG2 3.33Å; K54-V57 PolarHBondContact O-N 3.08Å; V57-L61 VanDerWaalsContact O-CB 3.27Å; V57-L61 WeakPolarHBondContact O-CB 3.3Å; V57-L61 PolarHBondContact O-N 3.5Å |
| 58 | L | 88.4 | Confident | 81.4 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 175.7 | -73.1 | 169.1 | 0 | 0 | 0 | 112.3 | I32 V35 M36 K54 T55 G56 L61 F62 | I32-L58 HydrophobicContact CG2-CB 4.41Å; I32-L58 HydrophobicContact CG2-CD2 4.31Å; V35-L58 HydrophobicContact CB-CD1 4.4Å; V35-L58 HydrophobicContact CG1-CD1 3.63Å; V35-L58 HydrophobicContact CG1-CD2 4.3Å; M36-L58 HydrophobicContact CG-CB 4.26Å; M36-L58 HydrophobicContact CG-CD1 4.24Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.37Å; K54-L58 PolarHBondContact O-N 3.1Å; T55-L58 PolarHBondContact O-N 3.23Å; G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 3.34Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.22Å |
| 59 | A | 88.7 | Confident | 82.7 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T55 G56 L61 F62 V63 | T55-A59 WeakPolarHBondContact O-CB 3.48Å; T55-A59 PolarHBondContact O-N 2.95Å; G56-A59 WeakPolarHBondContact O-CB 3.37Å; G56-A59 PolarHBondContact O-N 3.43Å; G56-A59 VanDerWaalsContact O-N 3.14Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 3.01Å; A59-F62 WeakPolarHBondContact O-CB 3.25Å; A59-F62 PolarHBondContact O-N 3.37Å; A59-V63 WeakPolarHBondContact O-CG2 3.29Å; A59-V63 PolarHBondContact O-N 2.93Å |
| 60 | D | 92.1 | Very high | 84.3 | Confident | 117 Ų | 117 | 72 Ų | 72 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 175.9 | -67.8 | -25.4 | 0 | 0 | 0 | 111.2 | G56 V63 S64 | G56-D60 PolarHBondContact O-N 3.33Å; D60-V63 PolarHBondContact O-N 2.93Å; D60-S64 WeakPolarHBondContact O-CB 3.37Å; D60-S64 PolarHBondContact O-N 2.99Å |
| 61 | L | 92.1 | Very high | 85.8 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 40% | 0.403 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.7 | -174.4 | 64.5 | 0 | 0 | 0 | 111.8 | I32 V57 L58 A59 S64 K65 | I32-L61 HydrophobicContact CD1-CB 4.33Å; I32-L61 HydrophobicContact CD1-CD2 3.75Å; I32-L61 HydrophobicContact CD1-CG 3.66Å; I32-L61 HydrophobicContact CG1-CD2 3.98Å; I32-L61 HydrophobicContact CG1-CG 4.4Å; V57-L61 VanDerWaalsContact O-CB 3.27Å; V57-L61 WeakPolarHBondContact O-CB 3.3Å; V57-L61 PolarHBondContact O-N 3.5Å; L58-L61 PolarHBondContact O-N 3.34Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 3.01Å; L61-S64 PolarHBondContact O-N 3.45Å; L61-K65 HydrophobicContact CD1-CG 4.38Å; L61-K65 HydrophobicContact CG-CG 4.47Å; L61-K65 WeakPolarHBondContact O-CB 3.31Å; L61-K65 VanDerWaalsContact O-CG 3.31Å; L61-K65 WeakPolarHBondContact O-CG 3.26Å; L61-K65 PolarHBondContact O-N 3.02Å |
| 62 | F | 93.6 | Very high | 87.1 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175.6 | -174.9 | -89.1 | 0 | 0 | 0 | 111.3 | L29 I32 L58 A59 S64 K65 A66 | L29-F62 HydrophobicContact CD2-CD2 3.59Å; L29-F62 HydrophobicContact CD2-CE2 3.62Å; L29-F62 HydrophobicContact CD2-CG 4.13Å; L29-F62 HydrophobicContact CD2-CZ 4.18Å; I32-F62 HydrophobicContact CG2-CB 4.01Å; I32-F62 HydrophobicContact CG2-CD2 4.06Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.22Å; A59-F62 WeakPolarHBondContact O-CB 3.25Å; A59-F62 PolarHBondContact O-N 3.37Å; F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3Å; F62-K65 PolarHBondContact O-N 3.29Å; F62-A66 WeakPolarHBondContact O-CB 3.19Å; F62-A66 PolarHBondContact O-N 2.87Å |
| 63 | V | 94.6 | Very high | 88.4 | Confident | 98 Ų | 98 | 72.7 Ų | 72.7 | 59% | 0.594 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 178.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | A59 D60 K65 A66 A67 | A59-V63 WeakPolarHBondContact O-CG2 3.29Å; A59-V63 PolarHBondContact O-N 2.93Å; D60-V63 PolarHBondContact O-N 2.93Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 2.9Å; V63-A66 PolarHBondContact O-N 3.42Å; V63-A67 PolarHBondContact O-N 3.44Å |
| 64 | S | 95.2 | Very high | 89.7 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.8 | -173 | 0 | 0 | 0 | 0 | 112.1 | D60 L61 F62 A67 E68 | D60-S64 WeakPolarHBondContact O-CB 3.37Å; D60-S64 PolarHBondContact O-N 2.99Å; L61-S64 PolarHBondContact O-N 3.45Å; F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3Å; S64-A67 PolarHBondContact O-N 2.96Å; S64-E68 PolarHBondContact O-N 3.31Å |
| 65 | K | 93.4 | Very high | 90.3 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.9 | -36.2 | 179.2 | -73.3 | -74.4 | 166.8 | -176.5 | 0 | 112.4 | V25 D28 L29 I32 L61 F62 V63 E68 L69 | V25-K65 HydrophobicContact CG1-CB 4.31Å; V25-K65 HydrophobicContact CG1-CD 4.26Å; V25-K65 WeakPolarHBondContact CG1-O 3.41Å; D28-K65 HydrophobicContact CB-CD 3.92Å; D28-K65 HydrophobicContact CB-CG 4.39Å; D28-K65 WeakPolarHBondContact OD2-CE 3.44Å; D28-K65 IonicContact OD2-NZ 2.94Å; D28-K65 PolarHBondContact OD2-NZ 2.65Å; L29-K65 HydrophobicContact CD2-CB 3.6Å; L29-K65 HydrophobicContact CG-CB 3.95Å; I32-K65 HydrophobicContact CD1-CG 4.18Å; L61-K65 HydrophobicContact CD1-CG 4.38Å; L61-K65 HydrophobicContact CG-CG 4.47Å; L61-K65 WeakPolarHBondContact O-CB 3.31Å; L61-K65 VanDerWaalsContact O-CG 3.31Å; L61-K65 WeakPolarHBondContact O-CG 3.26Å; L61-K65 PolarHBondContact O-N 3.02Å; F62-K65 PolarHBondContact O-N 3.29Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 2.9Å; K65-E68 WeakPolarHBondContact CD-OE2 3.37Å; K65-E68 IonicContact NZ-OE2 2.79Å; K65-E68 PolarHBondContact NZ-OE2 3.47Å; K65-E68 PolarHBondContact O-N 3.03Å; K65-L69 PolarHBondContact O-N 3.29Å |
| 66 | A | 93.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F62 V63 L69 E70 | F62-A66 WeakPolarHBondContact O-CB 3.19Å; F62-A66 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 3.36Å; A66-E70 PolarHBondContact O-N 2.93Å |
| 67 | A | 93.6 | Very high | 90.6 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V63 S64 L69 E70 D71 | V63-A67 PolarHBondContact O-N 3.44Å; S64-A67 PolarHBondContact O-N 2.96Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 3.49Å; A67-E70 PolarHBondContact O-N 3.11Å; A67-D71 PolarHBondContact O-N 2.9Å |
| 68 | E | 92.7 | Very high | 90.4 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 174.4 | -171.5 | 178.3 | -173.5 | 0 | 0 | 111.4 | V25 S64 K65 E70 D71 L72 | V25-E68 HydrophobicContact CG2-CB 4.49Å; V25-E68 HydrophobicContact CG2-CG 3.91Å; S64-E68 PolarHBondContact O-N 3.31Å; K65-E68 WeakPolarHBondContact CD-OE2 3.37Å; K65-E68 IonicContact NZ-OE2 2.79Å; K65-E68 PolarHBondContact NZ-OE2 3.47Å; K65-E68 PolarHBondContact O-N 3.03Å; E68-E70 PolarHBondContact O-N 3.35Å; E68-D71 PolarHBondContact O-N 3.42Å; E68-L72 HydrophobicContact CG-CD1 4.31Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.31Å; E68-L72 PolarHBondContact O-N 2.89Å |
| 69 | L | 93.1 | Very high | 89.9 | Confident | 43 Ų | 43 | 68 Ų | 68 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.9 | -175.3 | 59.6 | 0 | 0 | 0 | 112.2 | I22 V25 I26 L29 K65 A66 A67 D71 L72 W73 | I22-L69 HydrophobicContact CB-CD1 4.38Å; I22-L69 HydrophobicContact CG1-CD1 4.3Å; I22-L69 HydrophobicContact CG2-CD1 3.88Å; V25-L69 HydrophobicContact CG1-CB 3.76Å; V25-L69 HydrophobicContact CG1-CD1 4.42Å; I26-L69 HydrophobicContact CG1-CD1 4.22Å; I26-L69 HydrophobicContact CG1-CD2 4.31Å; L29-L69 HydrophobicContact CD1-CD2 3.92Å; K65-L69 PolarHBondContact O-N 3.29Å; A66-L69 PolarHBondContact O-N 3.36Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 3.49Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 2.92Å; L69-W73 VanDerWaalsContact O-CB 3.31Å; L69-W73 WeakPolarHBondContact O-CB 3.35Å; L69-W73 PolarHBondContact O-N 2.69Å |
| 70 | E | 92.3 | Very high | 89.1 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 49% | 0.486 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.5 | -169 | -175.1 | 166.2 | 0 | 0 | 111.4 | A66 A67 E68 W73 R74 | A66-E70 PolarHBondContact O-N 2.93Å; A67-E70 PolarHBondContact O-N 3.11Å; E68-E70 PolarHBondContact O-N 3.35Å; E70-W73 WeakPolarHBondContact O-CB 3.47Å; E70-W73 PolarHBondContact O-N 3.21Å; E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 3.42Å; E70-R74 IonicContact OE1-CZ 3.35Å; E70-R74 IonicContact OE1-NE 3.27Å; E70-R74 PolarHBondContact OE1-NE 3.27Å; E70-R74 IonicContact OE1-NH2 2.69Å; E70-R74 PolarHBondContact OE1-NH2 3.22Å |
| 71 | D | 91.1 | Very high | 88 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.8 | -82.8 | -15.8 | 0 | 0 | 0 | 111.9 | A67 E68 L69 W73 R74 I75 | A67-D71 PolarHBondContact O-N 2.9Å; E68-D71 PolarHBondContact O-N 3.42Å; L69-D71 VanDerWaalsContact C-N 3.34Å; D71-W73 VanDerWaalsContact C-N 3.29Å; D71-W73 PolarHBondContact O-N 2.91Å; D71-R74 WeakPolarHBondContact O-CB 3.45Å; D71-R74 PolarHBondContact O-N 3.31Å; D71-I75 WeakPolarHBondContact O-CG1 3.43Å; D71-I75 PolarHBondContact O-N 3.4Å |
| 72 | L | 89.2 | Confident | 86.2 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 174.7 | -71.2 | 171.3 | 0 | 0 | 0 | 111.9 | Q21 I22 V25 E68 L69 I75 G76 | Q21-L72 HydrophobicContact CB-CD1 3.75Å; Q21-L72 HydrophobicContact CB-CD2 3.87Å; Q21-L72 HydrophobicContact CB-CG 4.48Å; Q21-L72 VanDerWaalsContact OE1-CD2 3.23Å; I22-L72 HydrophobicContact CD1-CB 4.36Å; I22-L72 HydrophobicContact CG1-CB 3.71Å; I22-L72 HydrophobicContact CG1-CD1 4.27Å; V25-L72 HydrophobicContact CG2-CD1 3.79Å; E68-L72 HydrophobicContact CG-CD1 4.31Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.31Å; E68-L72 PolarHBondContact O-N 2.89Å; L69-L72 PolarHBondContact O-N 2.92Å; L72-I75 PolarHBondContact O-N 2.82Å; L72-G76 PolarHBondContact O-N 3.38Å |
| 73 | W | 87.8 | Confident | 83.8 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 54% | 0.538 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.2 | -174.2 | -107.4 | 0 | 0 | 0 | 111.9 | I22 L69 E70 D71 G76 K77 | I22-W73 HydrophobicContact CD1-CE3 4.48Å; L69-W73 VanDerWaalsContact O-CB 3.31Å; L69-W73 WeakPolarHBondContact O-CB 3.35Å; L69-W73 PolarHBondContact O-N 2.69Å; E70-W73 WeakPolarHBondContact O-CB 3.47Å; E70-W73 PolarHBondContact O-N 3.21Å; D71-W73 VanDerWaalsContact C-N 3.29Å; D71-W73 PolarHBondContact O-N 2.91Å; W73-G76 PolarHBondContact O-N 3.39Å; W73-K77 WeakPolarHBondContact O-CG 3.31Å; W73-K77 PolarHBondContact O-N 2.94Å |
| 74 | R | 88 | Confident | 81.7 | Confident | 132 Ų | 132 | 79.8 Ų | 79.8 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 174.2 | -71.7 | 169.8 | -178.9 | -152.8 | 2.2 | 111.1 | E70 D71 K77 T78 | E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 3.42Å; E70-R74 IonicContact OE1-CZ 3.35Å; E70-R74 IonicContact OE1-NE 3.27Å; E70-R74 PolarHBondContact OE1-NE 3.27Å; E70-R74 IonicContact OE1-NH2 2.69Å; E70-R74 PolarHBondContact OE1-NH2 3.22Å; D71-R74 WeakPolarHBondContact O-CB 3.45Å; D71-R74 PolarHBondContact O-N 3.31Å; R74-K77 PolarHBondContact O-N 3.33Å; R74-T78 PolarHBondContact O-N 2.98Å; R74-T78 VanDerWaalsContact O-N 3.08Å; R74-T78 PolarHBondContact O-OG1 3.4Å |
| 75 | I | 87 | Confident | 79.2 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 19% | 0.185 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 177 | -65.6 | 165.9 | 0 | 0 | 0 | 110.7 | V18 D71 L72 K77 T78 L79 | V18-I75 HydrophobicContact CG2-CG2 3.9Å; D71-I75 WeakPolarHBondContact O-CG1 3.43Å; D71-I75 PolarHBondContact O-N 3.4Å; L72-I75 PolarHBondContact O-N 2.82Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 3.17Å; I75-T78 WeakPolarHBondContact O-CB 3.49Å; I75-T78 PolarHBondContact O-N 2.94Å; I75-T78 VanDerWaalsContact O-N 3.1Å; I75-L79 HydrophobicContact CG2-CD1 4.2Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 WeakPolarHBondContact O-CG 3.31Å; I75-L79 PolarHBondContact O-N 3.1Å |
| 76 | G | 85.6 | Confident | 77.1 | Confident | 8 Ų | 8 | 88.1 Ų | 88.1 | 8% | 0.082 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -54.9 | -48.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L72 W73 T78 L79 F80 | L72-G76 PolarHBondContact O-N 3.38Å; W73-G76 PolarHBondContact O-N 3.39Å; G76-T78 VanDerWaalsContact C-N 3.32Å; G76-T78 PolarHBondContact O-N 3.39Å; G76-L79 WeakPolarHBondContact O-CB 3.18Å; G76-L79 PolarHBondContact O-N 3.02Å; G76-L79 VanDerWaalsContact O-N 3.11Å; G76-F80 WeakPolarHBondContact O-CD2 3.44Å; G76-F80 PolarHBondContact O-N 3.11Å |
| 77 | K | 82.5 | Confident | 74.9 | Confident | 46 Ų | 46 | 91.8 Ų | 91.8 | 20% | 0.2 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.8 | -43.6 | 175.7 | -75.2 | -173.2 | -64 | 177.8 | 0 | 112.8 | W73 R74 I75 L79 F80 R81 | W73-K77 WeakPolarHBondContact O-CG 3.31Å; W73-K77 PolarHBondContact O-N 2.94Å; R74-K77 PolarHBondContact O-N 3.33Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 3.17Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-F80 PolarHBondContact O-N 3.35Å; K77-R81 PolarHBondContact O-N 3.08Å |
| 78 | T | 83.4 | Confident | 72.6 | Confident | 110 Ų | 110 | 98.5 Ų | 98.5 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | R74 I75 G76 F80 R81 | R74-T78 PolarHBondContact O-N 2.98Å; R74-T78 VanDerWaalsContact O-N 3.08Å; R74-T78 PolarHBondContact O-OG1 3.4Å; I75-T78 WeakPolarHBondContact O-CB 3.49Å; I75-T78 PolarHBondContact O-N 2.94Å; I75-T78 VanDerWaalsContact O-N 3.1Å; G76-T78 VanDerWaalsContact C-N 3.32Å; G76-T78 PolarHBondContact O-N 3.39Å; T78-F80 PolarHBondContact O-N 3.23Å; T78-R81 PolarHBondContact O-N 3.02Å |
| 79 | L | 78.3 | Confident | 70.3 | Confident | 53 Ų | 53 | 109.1 Ų | 109.1 | 28% | 0.277 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.6 | -68.6 | 176.8 | 0 | 0 | 0 | 112.5 | N13 I15 V18 I75 G76 K77 R81 | N13-L79 HydrophobicContact CB-CD2 4.47Å; N13-L79 VanDerWaalsContact O-CD2 3.31Å; N13-L79 WeakPolarHBondContact O-CD2 3.33Å; I15-L79 HydrophobicContact CD1-CB 4.35Å; I15-L79 HydrophobicContact CG1-CB 3.82Å; I15-L79 HydrophobicContact CG1-CD1 3.97Å; I15-L79 HydrophobicContact CG1-CG 4.46Å; V18-L79 HydrophobicContact CB-CD1 4.39Å; V18-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CD1 4.2Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 WeakPolarHBondContact O-CG 3.31Å; I75-L79 PolarHBondContact O-N 3.1Å; G76-L79 WeakPolarHBondContact O-CB 3.18Å; G76-L79 PolarHBondContact O-N 3.02Å; G76-L79 VanDerWaalsContact O-N 3.11Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 3.49Å |
| 80 | F | 72.2 | Confident | 69.1 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 52% | 0.522 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -4.1 | 177.7 | -72.5 | -79.8 | 0 | 0 | 0 | 114 | I15 G76 K77 T78 I82 | I15-F80 HydrophobicContact CD1-CD1 4.34Å; I15-F80 HydrophobicContact CD1-CE1 4.18Å; I15-F80 HydrophobicContact CD1-CZ 4.38Å; I15-F80 HydrophobicContact CG2-CE1 4.05Å; I15-F80 HydrophobicContact CG2-CE2 3.79Å; I15-F80 HydrophobicContact CG2-CZ 3.35Å; G76-F80 WeakPolarHBondContact O-CD2 3.44Å; G76-F80 PolarHBondContact O-N 3.11Å; K77-F80 PolarHBondContact O-N 3.35Å; T78-F80 PolarHBondContact O-N 3.23Å; F80-I82 HydrophobicContact CB-CD1 3.61Å; F80-I82 HydrophobicContact CB-CG1 3.44Å; F80-I82 VanDerWaalsContact CB-CG1 3.44Å; F80-I82 HydrophobicContact CG-CD1 4.2Å; F80-I82 WeakPolarHBondContact O-CG1 3.24Å; F80-I82 PolarHBondContact O-N 3.19Å |
| 81 | R | 68.4 | Low | 67.9 | Low | 228 Ų | 228 | 112.9 Ų | 112.9 | 86% | 0.86 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 34.1 | -172.9 | -68.5 | -173.5 | 174.6 | -178.4 | -1.1 | 113.1 | K77 T78 L79 P83 | K77-R81 PolarHBondContact O-N 3.08Å; T78-R81 PolarHBondContact O-N 3.02Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 3.49Å; R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.46Å |
| 82 | I | 55.9 | Low | 66.6 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | trans | -85.7 | 116.6 | -179.3 | -45.1 | 175.8 | 0 | 0 | 0 | 107.7 | F80 L84 | F80-I82 HydrophobicContact CB-CD1 3.61Å; F80-I82 HydrophobicContact CB-CG1 3.44Å; F80-I82 VanDerWaalsContact CB-CG1 3.44Å; F80-I82 HydrophobicContact CG-CD1 4.2Å; F80-I82 WeakPolarHBondContact O-CG1 3.24Å; F80-I82 PolarHBondContact O-N 3.19Å; I82-L84 HydrophobicContact CB-CD1 4.27Å; I82-L84 HydrophobicContact CB-CG 4.2Å; I82-L84 HydrophobicContact CG2-CD1 3.93Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CG 3.58Å; I82-L84 PolarHBondContact O-N 3Å | ||
| 83 | P | 43.2 | Very low | 65.3 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 59% | 0.585 | S | S | * | * | trans | -71.2 | 96 | 168.3 | 28.7 | -29.8 | 0 | 0 | 0 | 107.7 | R81 | R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.46Å | ||
| 84 | L | 49.4 | Very low | 63.9 | Low | 104 Ų | 104 | 119.6 Ų | 119.6 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | trans | -105.5 | 102.8 | 174.9 | -76 | 169.2 | 0 | 0 | 0 | 110.5 | I82 F86 | I82-L84 HydrophobicContact CB-CD1 4.27Å; I82-L84 HydrophobicContact CB-CG 4.2Å; I82-L84 HydrophobicContact CG2-CD1 3.93Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CG 3.58Å; I82-L84 PolarHBondContact O-N 3Å; L84-F86 PolarHBondContact O-N 3.38Å | ||
| 85 | V | 43.1 | Very low | 62.3 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 81% | 0.806 | 59% | 0.594 | S | S | * | * | trans | -54.5 | 118.4 | 159.6 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 86 | F | 49.9 | Very low | 60.6 | Low | 150 Ų | 150 | 124.6 Ų | 124.6 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | trans | -69.2 | 129.4 | 164.3 | -78.9 | -94 | 0 | 0 | 0 | 107.5 | L84 E88 | L84-F86 PolarHBondContact O-N 3.38Å; F86-E88 PolarHBondContact O-N 3.02Å | ||
| 87 | P | 45.8 | Very low | 58.6 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -66.3 | 106 | 158.6 | 26.3 | -27.4 | 0 | 0 | 0 | 106.1 | K89 | P87-K89 PolarHBondContact O-N 3.2Š| ||
| 88 | E | 45 | Very low | 56.6 | Low | 190 Ų | 190 | 140.9 Ų | 140.9 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | -52.1 | 122.6 | 160.2 | -73.2 | -176 | 135.7 | 0 | 0 | 106.7 | F86 | F86-E88 PolarHBondContact O-N 3.02Š| ||
| 89 | K | 45.1 | Very low | 54.2 | Low | 279 Ų | 279 | 143.7 Ų | 143.7 | 100% | 1.213 | 71% | 0.706 | S | S | * | * | trans | -77.3 | 0 | 163.7 | -83.2 | -172.2 | 176.5 | 179 | 0 | 108.9 | P87 | P87-K89 PolarHBondContact O-N 3.2Š|
Retrieved 89 of 89 residues in 39.1 ms
(Link to these results)