| 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 | 39.2 | Very low | 71.6 | Confident | 241 Ų | 241 | 96.5 Ų | 96.5 | 100% | 1.187 | 53% | 0.533 | S | S | * | . | 0 | 112.9 | 0 | -70.4 | -167.9 | -103.1 | 0 | 0 | 107.4 | V3 | M1-V3 PolarHBondContact O-N 3.45Š| |||
| 2 | T | 46.3 | Very low | 73.1 | Confident | 141 Ų | 141 | 97.3 Ų | 97.3 | 87% | 0.865 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 116.5 | 174.8 | 43.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 3 | V | 47.8 | Very low | 74.3 | Confident | 85 Ų | 85 | 91 Ų | 91 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.5 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | M1 N5 V7 A8 | M1-V3 PolarHBondContact O-N 3.45Å; V3-N5 PolarHBondContact O-N 3.3Å; V3-V7 HydrophobicContact CG1-CB 3.82Å; V3-V7 HydrophobicContact CG1-CG1 3.97Å; V3-A8 HydrophobicContact CG1-CB 4.48Å |
| 4 | P | 65.8 | Low | 75.3 | Confident | 77 Ų | 77 | 90.1 Ų | 90.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 129.1 | 171.6 | -29.1 | 37.5 | 0 | 0 | 0 | 110.5 | D6 V7 A8 | P4-D6 WeakPolarHBondContact CB-OD1 3.45Å; P4-D6 PolarHBondContact O-N 3.19Å; P4-V7 HydrophobicContact CB-CG2 4.22Å; P4-V7 PolarHBondContact O-N 3.19Å; P4-A8 PolarHBondContact O-N 3.18Å |
| 5 | N | 75.7 | Confident | 76.3 | Confident | 131 Ų | 131 | 94.9 Ų | 94.9 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.2 | -27.3 | -172.8 | -83.7 | -14.4 | 0 | 0 | 0 | 113 | V3 L9 | V3-N5 PolarHBondContact O-N 3.3Å; N5-L9 VanDerWaalsContact O-CB 3.23Å; N5-L9 WeakPolarHBondContact O-CB 3.49Å; N5-L9 PolarHBondContact O-N 3.45Å; N5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | D | 78.2 | Confident | 77.3 | Confident | 55 Ų | 55 | 93.9 Ų | 93.9 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 176.4 | 65.8 | -38.4 | 0 | 0 | 0 | 112.6 | P4 L9 Y10 F25 Y29 | P4-D6 WeakPolarHBondContact CB-OD1 3.45Å; P4-D6 PolarHBondContact O-N 3.19Å; D6-L9 PolarHBondContact O-N 3.24Å; D6-Y10 WeakPolarHBondContact O-CB 3.31Å; D6-Y10 PolarHBondContact O-N 3.24Å; D6-F25 HydrophobicContact CB-CE1 4.42Å; D6-F25 VanDerWaalsContact O-CE1 3.27Å; D6-F25 WeakPolarHBondContact O-CE1 3.4Å; D6-F25 WeakPolarHBondContact O-CZ 3.11Å; D6-Y29 HydrophobicContact CB-CD1 4.14Å; D6-Y29 HydrophobicContact CB-CE1 3.89Å |
| 7 | V | 82.9 | Confident | 77.8 | Confident | 58 Ų | 58 | 91.7 Ų | 91.7 | 35% | 0.352 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -47.2 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | V3 P4 L9 Y10 E11 | V3-V7 HydrophobicContact CG1-CB 3.82Å; V3-V7 HydrophobicContact CG1-CG1 3.97Å; P4-V7 HydrophobicContact CB-CG2 4.22Å; P4-V7 PolarHBondContact O-N 3.19Å; V7-L9 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 3.14Å; V7-Y10 PolarHBondContact O-N 3.4Å; V7-E11 WeakPolarHBondContact O-CG 3.36Å; V7-E11 PolarHBondContact O-N 3.5Å |
| 8 | A | 86.4 | Confident | 78.2 | Confident | 48 Ų | 48 | 90.1 Ų | 90.1 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V3 P4 L12 | V3-A8 HydrophobicContact CG1-CB 4.48Å; P4-A8 PolarHBondContact O-N 3.18Å; A8-L12 WeakPolarHBondContact O-CB 3.43Å; A8-L12 PolarHBondContact O-N 3.43Å |
| 9 | L | 88.1 | Confident | 78.4 | Confident | 75 Ų | 75 | 91.8 Ų | 91.8 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71 | -35.5 | 177.6 | -172.4 | 67.9 | 0 | 0 | 0 | 112.1 | N5 D6 V7 L12 A13 F25 Y29 | N5-L9 VanDerWaalsContact O-CB 3.23Å; N5-L9 WeakPolarHBondContact O-CB 3.49Å; N5-L9 PolarHBondContact O-N 3.45Å; N5-L9 VanDerWaalsContact O-N 3.09Å; D6-L9 PolarHBondContact O-N 3.24Å; V7-L9 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 3.14Å; L9-L12 HydrophobicContact CD1-CD2 4.43Å; L9-L12 PolarHBondContact O-N 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.11Å; L9-A13 PolarHBondContact O-N 3.37Å; L9-F25 HydrophobicContact CB-CE2 4.49Å; L9-F25 HydrophobicContact CB-CZ 3.89Å; L9-F25 HydrophobicContact CD2-CE2 4.38Å; L9-F25 HydrophobicContact CD2-CZ 4.01Å; L9-F25 HydrophobicContact CG-CE2 4.09Å; L9-F25 HydrophobicContact CG-CZ 3.87Å; L9-Y29 HydrophobicContact CD2-CD2 3.69Å; L9-Y29 HydrophobicContact CD2-CE2 3.83Å |
| 10 | Y | 88.9 | Confident | 78.7 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 20% | 0.204 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 173.2 | -178.3 | -121 | 0 | 0 | 0 | 111 | D6 V7 L12 A13 I14 N22 F25 | D6-Y10 WeakPolarHBondContact O-CB 3.31Å; D6-Y10 PolarHBondContact O-N 3.24Å; V7-Y10 PolarHBondContact O-N 3.4Å; Y10-L12 VanDerWaalsContact C-N 3.28Å; Y10-L12 PolarHBondContact O-N 3.4Å; Y10-A13 WeakPolarHBondContact O-CB 3.39Å; Y10-A13 PolarHBondContact O-N 3.44Å; Y10-A13 VanDerWaalsContact O-N 3.14Å; Y10-I14 HydrophobicContact CD2-CG1 4.41Å; Y10-I14 HydrophobicContact CE1-CG1 4.28Å; Y10-I14 HydrophobicContact CE2-CD1 3.94Å; Y10-I14 HydrophobicContact CE2-CG1 4.04Å; Y10-I14 WeakPolarHBondContact O-CG1 3.2Å; Y10-I14 PolarHBondContact O-N 3.05Å; Y10-N22 WeakPolarHBondContact CD1-ND2 3.45Å; Y10-N22 HydrophobicContact CE1-CB 4.14Å; Y10-N22 VanDerWaalsContact CE1-ND2 3.29Å; Y10-N22 WeakPolarHBondContact CE1-ND2 3.34Å; Y10-N22 HydrophobicContact CE2-CB 4.26Å; Y10-N22 PolarHBondContact OH-N 2.95Å; Y10-F25 HydrophobicContact CD2-CB 3.56Å; Y10-F25 AromaticContact CD2-CD1 3.75Å; Y10-F25 HydrophobicContact CD2-CD1 3.75Å; Y10-F25 AromaticContact CD2-CD2 3.71Å; Y10-F25 HydrophobicContact CD2-CD2 3.71Å; Y10-F25 HydrophobicContact CD2-CE1 4.4Å; Y10-F25 HydrophobicContact CD2-CE2 4.35Å; Y10-F25 AromaticContact CD2-CG 3.36Å; Y10-F25 HydrophobicContact CD2-CG 3.36Å; Y10-F25 HydrophobicContact CE2-CB 3.82Å; Y10-F25 HydrophobicContact CE2-CG 4.15Å; Y10-F25 HydrophobicContact CG-CD1 4.09Å; Y10-F25 HydrophobicContact CG-CE1 4.42Å; Y10-F25 HydrophobicContact CG-CG 4.15Å; Y10-F25 VanDerWaalsContact N-CZ 3.29Å |
| 11 | E | 88.5 | Confident | 79.1 | Confident | 98 Ų | 98 | 88.4 Ų | 88.4 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 176 | -73.4 | -174.2 | -168.4 | 0 | 0 | 112.2 | V7 I14 K15 | V7-E11 WeakPolarHBondContact O-CG 3.36Å; V7-E11 PolarHBondContact O-N 3.5Å; E11-I14 PolarHBondContact O-N 3.13Å; E11-K15 WeakPolarHBondContact O-CB 3.29Å; E11-K15 VanDerWaalsContact O-CG 3.29Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 3.42Å; E11-K15 IonicContact OE2-NZ 2.71Å |
| 12 | L | 89.8 | Confident | 81.3 | Confident | 106 Ų | 106 | 79.5 Ų | 79.5 | 56% | 0.555 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 175.3 | -176.1 | 64.4 | 0 | 0 | 0 | 111.6 | A8 L9 Y10 I14 K15 A16 | A8-L12 WeakPolarHBondContact O-CB 3.43Å; A8-L12 PolarHBondContact O-N 3.43Å; L9-L12 HydrophobicContact CD1-CD2 4.43Å; L9-L12 PolarHBondContact O-N 3.23Å; Y10-L12 VanDerWaalsContact C-N 3.28Å; Y10-L12 PolarHBondContact O-N 3.4Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.02Å; L12-K15 PolarHBondContact O-N 2.74Å; L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.46Å |
| 13 | A | 88.3 | Confident | 83.3 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 13% | 0.132 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L9 Y10 A16 G17 V18 M20 F25 | L9-A13 WeakPolarHBondContact O-CB 3.11Å; L9-A13 PolarHBondContact O-N 3.37Å; Y10-A13 WeakPolarHBondContact O-CB 3.39Å; Y10-A13 PolarHBondContact O-N 3.44Å; Y10-A13 VanDerWaalsContact O-N 3.14Å; A13-A16 PolarHBondContact O-N 3.38Å; A13-G17 PolarHBondContact O-N 3.2Å; A13-V18 WeakPolarHBondContact O-CB 3.35Å; A13-V18 PolarHBondContact O-N 3.3Å; A13-M20 HydrophobicContact CB-CE 4.45Å; A13-F25 HydrophobicContact CB-CD2 4.49Å; A13-F25 HydrophobicContact CB-CE2 4.41Å |
| 14 | I | 88.6 | Confident | 85.3 | Confident | 79 Ų | 79 | 78 Ų | 78 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.1 | -61.6 | -57.7 | 0 | 0 | 0 | 110.9 | Y10 E11 L12 A16 G17 | Y10-I14 HydrophobicContact CD2-CG1 4.41Å; Y10-I14 HydrophobicContact CE1-CG1 4.28Å; Y10-I14 HydrophobicContact CE2-CD1 3.94Å; Y10-I14 HydrophobicContact CE2-CG1 4.04Å; Y10-I14 WeakPolarHBondContact O-CG1 3.2Å; Y10-I14 PolarHBondContact O-N 3.05Å; E11-I14 PolarHBondContact O-N 3.13Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.02Å; I14-A16 VanDerWaalsContact C-N 3.27Å; I14-A16 PolarHBondContact O-N 3.48Å; I14-G17 WeakPolarHBondContact O-CA 3.42Å; I14-G17 PolarHBondContact O-N 2.96Å |
| 15 | K | 90.4 | Very high | 86.5 | Confident | 162 Ų | 162 | 74.9 Ų | 74.9 | 70% | 0.704 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.4 | -33.1 | 176.1 | -75.2 | 169.7 | -179.1 | 163.2 | 0 | 112.7 | E11 L12 G17 | E11-K15 WeakPolarHBondContact O-CB 3.29Å; E11-K15 VanDerWaalsContact O-CG 3.29Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 3.42Å; E11-K15 IonicContact OE2-NZ 2.71Å; L12-K15 PolarHBondContact O-N 2.74Å; K15-G17 PolarHBondContact O-N 2.91Å |
| 16 | A | 91.2 | Very high | 87.2 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L12 A13 I14 V18 | L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.46Å; A13-A16 PolarHBondContact O-N 3.38Å; I14-A16 VanDerWaalsContact C-N 3.27Å; I14-A16 PolarHBondContact O-N 3.48Å; A16-V18 HydrophobicContact CB-CG2 4.43Å |
| 17 | G | 86.9 | Confident | 87.7 | Confident | 57 Ų | 57 | 79 Ų | 79 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 23.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | A13 I14 K15 P19 | A13-G17 PolarHBondContact O-N 3.2Å; I14-G17 WeakPolarHBondContact O-CA 3.42Å; I14-G17 PolarHBondContact O-N 2.96Å; K15-G17 PolarHBondContact O-N 2.91Å; G17-P19 VanDerWaalsContact O-CD 3.27Å; G17-P19 WeakPolarHBondContact O-CD 3.38Å |
| 18 | V | 84.7 | Confident | 88.1 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 38% | 0.376 | 42% | 0.415 | S | S | . | . | trans | -83.2 | 112.2 | 175.9 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | A13 A16 M20 | A13-V18 WeakPolarHBondContact O-CB 3.35Å; A13-V18 PolarHBondContact O-N 3.3Å; A16-V18 HydrophobicContact CB-CG2 4.43Å; V18-M20 VanDerWaalsContact C-N 3.34Å; V18-M20 HydrophobicContact CB-CE 3.97Å; V18-M20 HydrophobicContact CG1-CE 3.23Å; V18-M20 PolarHBondContact O-N 3.46Å | ||
| 19 | P | 81.7 | Confident | 88.3 | Confident | 123 Ų | 123 | 78.3 Ų | 78.3 | 80% | 0.799 | 41% | 0.408 | S | S | * | . | trans | -80.1 | 84.3 | -175.8 | 33.3 | -33.8 | 0 | 0 | 0 | 109.5 | G17 | G17-P19 VanDerWaalsContact O-CD 3.27Å; G17-P19 WeakPolarHBondContact O-CD 3.38Å | ||
| 20 | M | 84.2 | Confident | 88.4 | Confident | 45 Ų | 45 | 75 Ų | 75 | 22% | 0.222 | 39% | 0.391 | C | S | . | . | trans | -129.9 | 138.1 | 174.7 | 70.2 | 174.6 | 84 | 0 | 0 | 111.7 | A13 V18 V24 F25 | A13-M20 HydrophobicContact CB-CE 4.45Å; V18-M20 VanDerWaalsContact C-N 3.34Å; V18-M20 HydrophobicContact CB-CE 3.97Å; V18-M20 HydrophobicContact CG1-CE 3.23Å; V18-M20 PolarHBondContact O-N 3.46Å; M20-V24 HydrophobicContact CB-CB 4.5Å; M20-V24 HydrophobicContact CB-CG1 4.3Å; M20-F25 HydrophobicContact CG-CB 4.22Å; M20-F25 HydrophobicContact SD-CB 3.6Å; M20-F25 HydrophobicContact SD-CD2 3.61Å; M20-F25 HydrophobicContact SD-CG 4.1Å | ||
| 21 | D | 88.2 | Confident | 88.5 | Confident | 67 Ų | 67 | 74.9 Ų | 74.9 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | trans | -70.4 | 157.7 | 171.1 | 72.1 | 52.7 | 0 | 0 | 0 | 110.6 | K23 V24 F25 | D21-K23 PolarHBondContact O-N 3.47Å; D21-K23 VanDerWaalsContact O-N 3.17Å; D21-K23 WeakPolarHBondContact OD1-CA 3.34Å; D21-K23 VanDerWaalsContact OD1-CB 3.31Å; D21-K23 WeakPolarHBondContact OD1-CB 3.37Å; D21-K23 PolarHBondContact OD1-N 3.39Å; D21-V24 PolarHBondContact O-N 3.46Å; D21-V24 WeakPolarHBondContact OD1-CG2 3.39Å; D21-V24 PolarHBondContact OD1-N 3.27Å; D21-F25 PolarHBondContact O-N 2.93Å | ||
| 22 | N | 85 | Confident | 88.5 | Confident | 54 Ų | 54 | 74 Ų | 74 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.9 | -26.8 | -177.2 | -173.2 | -86.7 | 0 | 0 | 0 | 112.7 | Y10 R26 | Y10-N22 WeakPolarHBondContact CD1-ND2 3.45Å; Y10-N22 HydrophobicContact CE1-CB 4.14Å; Y10-N22 VanDerWaalsContact CE1-ND2 3.29Å; Y10-N22 WeakPolarHBondContact CE1-ND2 3.34Å; Y10-N22 HydrophobicContact CE2-CB 4.26Å; Y10-N22 PolarHBondContact OH-N 2.95Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 3.09Å; N22-R26 PolarHBondContact OD1-NE 3.4Å; N22-R26 PolarHBondContact OD1-NH2 3.43Å |
| 23 | K | 88.4 | Confident | 88.5 | Confident | 140 Ų | 140 | 70.5 Ų | 70.5 | 61% | 0.609 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -75 | -43 | 178.7 | -63.6 | -175.5 | 176.3 | -175.3 | 0 | 111.4 | D21 F25 R26 R27 | D21-K23 PolarHBondContact O-N 3.47Å; D21-K23 VanDerWaalsContact O-N 3.17Å; D21-K23 WeakPolarHBondContact OD1-CA 3.34Å; D21-K23 VanDerWaalsContact OD1-CB 3.31Å; D21-K23 WeakPolarHBondContact OD1-CB 3.37Å; D21-K23 PolarHBondContact OD1-N 3.39Å; K23-F25 VanDerWaalsContact C-N 3.32Å; K23-R26 PolarHBondContact O-N 3.13Å; K23-R27 WeakPolarHBondContact O-CG 3.33Å; K23-R27 PolarHBondContact O-N 3.37Å; K23-R27 VanDerWaalsContact O-N 3.09Å |
| 24 | V | 89.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 33% | 0.327 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | M20 D21 R26 R27 V28 | M20-V24 HydrophobicContact CB-CB 4.5Å; M20-V24 HydrophobicContact CB-CG1 4.3Å; D21-V24 PolarHBondContact O-N 3.46Å; D21-V24 WeakPolarHBondContact OD1-CG2 3.39Å; D21-V24 PolarHBondContact OD1-N 3.27Å; V24-R26 PolarHBondContact O-N 2.98Å; V24-R27 PolarHBondContact O-N 2.91Å; V24-V28 HydrophobicContact CG1-CG2 4.35Å; V24-V28 WeakPolarHBondContact O-CG2 3.5Å; V24-V28 PolarHBondContact O-N 3.3Å |
| 25 | F | 90.6 | Very high | 88.5 | Confident | 13 Ų | 13 | 71 Ų | 71 | 6% | 0.057 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.1 | -51.7 | 175 | 177.8 | -94 | 0 | 0 | 0 | 112 | D6 L9 Y10 A13 M20 D21 K23 R27 V28 Y29 | D6-F25 HydrophobicContact CB-CE1 4.42Å; D6-F25 VanDerWaalsContact O-CE1 3.27Å; D6-F25 WeakPolarHBondContact O-CE1 3.4Å; D6-F25 WeakPolarHBondContact O-CZ 3.11Å; L9-F25 HydrophobicContact CB-CE2 4.49Å; L9-F25 HydrophobicContact CB-CZ 3.89Å; L9-F25 HydrophobicContact CD2-CE2 4.38Å; L9-F25 HydrophobicContact CD2-CZ 4.01Å; L9-F25 HydrophobicContact CG-CE2 4.09Å; L9-F25 HydrophobicContact CG-CZ 3.87Å; Y10-F25 HydrophobicContact CD2-CB 3.56Å; Y10-F25 AromaticContact CD2-CD1 3.75Å; Y10-F25 HydrophobicContact CD2-CD1 3.75Å; Y10-F25 AromaticContact CD2-CD2 3.71Å; Y10-F25 HydrophobicContact CD2-CD2 3.71Å; Y10-F25 HydrophobicContact CD2-CE1 4.4Å; Y10-F25 HydrophobicContact CD2-CE2 4.35Å; Y10-F25 AromaticContact CD2-CG 3.36Å; Y10-F25 HydrophobicContact CD2-CG 3.36Å; Y10-F25 HydrophobicContact CE2-CB 3.82Å; Y10-F25 HydrophobicContact CE2-CG 4.15Å; Y10-F25 HydrophobicContact CG-CD1 4.09Å; Y10-F25 HydrophobicContact CG-CE1 4.42Å; Y10-F25 HydrophobicContact CG-CG 4.15Å; Y10-F25 VanDerWaalsContact N-CZ 3.29Å; A13-F25 HydrophobicContact CB-CD2 4.49Å; A13-F25 HydrophobicContact CB-CE2 4.41Å; M20-F25 HydrophobicContact CG-CB 4.22Å; M20-F25 HydrophobicContact SD-CB 3.6Å; M20-F25 HydrophobicContact SD-CD2 3.61Å; M20-F25 HydrophobicContact SD-CG 4.1Å; D21-F25 PolarHBondContact O-N 2.93Å; K23-F25 VanDerWaalsContact C-N 3.32Å; F25-R27 VanDerWaalsContact C-N 3.25Å; F25-R27 PolarHBondContact O-N 3.39Å; F25-V28 PolarHBondContact O-N 2.89Å; F25-Y29 HydrophobicContact CE1-CG 4.46Å; F25-Y29 VanDerWaalsContact O-CB 3.31Å; F25-Y29 WeakPolarHBondContact O-CB 3.48Å; F25-Y29 PolarHBondContact O-N 2.77Å |
| 26 | R | 90 | Very high | 88.4 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59 | -37 | 179.7 | -76.3 | -172.5 | -134.6 | -175.6 | -2.4 | 112.6 | N22 K23 V24 G30 | N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 3.09Å; N22-R26 PolarHBondContact OD1-NE 3.4Å; N22-R26 PolarHBondContact OD1-NH2 3.43Å; K23-R26 PolarHBondContact O-N 3.13Å; V24-R26 PolarHBondContact O-N 2.98Å; R26-G30 PolarHBondContact O-N 3.03Å |
| 27 | R | 90.7 | Very high | 88.5 | Confident | 120 Ų | 120 | 64.5 Ų | 64.5 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.4 | -46.6 | 176.2 | -71.3 | 172.5 | 178.9 | -168.8 | -4.9 | 111.9 | K23 V24 F25 G30 L31 | K23-R27 WeakPolarHBondContact O-CG 3.33Å; K23-R27 PolarHBondContact O-N 3.37Å; K23-R27 VanDerWaalsContact O-N 3.09Å; V24-R27 PolarHBondContact O-N 2.91Å; F25-R27 VanDerWaalsContact C-N 3.25Å; F25-R27 PolarHBondContact O-N 3.39Å; R27-G30 PolarHBondContact O-N 3.39Å; R27-L31 WeakPolarHBondContact O-CG 3.49Å; R27-L31 PolarHBondContact O-N 3.42Å |
| 28 | V | 91.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V24 F25 G30 L31 I32 I41 L45 | V24-V28 HydrophobicContact CG1-CG2 4.35Å; V24-V28 WeakPolarHBondContact O-CG2 3.5Å; V24-V28 PolarHBondContact O-N 3.3Å; F25-V28 PolarHBondContact O-N 2.89Å; V28-G30 VanDerWaalsContact C-N 3.33Å; V28-G30 PolarHBondContact O-N 3.46Å; V28-L31 PolarHBondContact O-N 3.09Å; V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 2.77Å; V28-I41 HydrophobicContact CG1-CG2 4.25Å; V28-I41 HydrophobicContact CG2-CG2 4.38Å; V28-L45 HydrophobicContact CG2-CD1 4.08Å |
| 29 | Y | 90.3 | Very high | 89.1 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 175.7 | -178.1 | -103.7 | 0 | 0 | 0 | 111.8 | D6 L9 F25 L31 I32 A33 | D6-Y29 HydrophobicContact CB-CD1 4.14Å; D6-Y29 HydrophobicContact CB-CE1 3.89Å; L9-Y29 HydrophobicContact CD2-CD2 3.69Å; L9-Y29 HydrophobicContact CD2-CE2 3.83Å; F25-Y29 HydrophobicContact CE1-CG 4.46Å; F25-Y29 VanDerWaalsContact O-CB 3.31Å; F25-Y29 WeakPolarHBondContact O-CB 3.48Å; F25-Y29 PolarHBondContact O-N 2.77Å; Y29-L31 PolarHBondContact O-N 3.27Å; Y29-I32 PolarHBondContact O-N 2.75Å; Y29-A33 WeakPolarHBondContact O-CB 3.31Å; Y29-A33 PolarHBondContact O-N 3.4Å |
| 30 | G | 89.6 | Confident | 89.5 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.1 | -50.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R26 R27 V28 I32 A33 L34 | R26-G30 PolarHBondContact O-N 3.03Å; R27-G30 PolarHBondContact O-N 3.39Å; V28-G30 VanDerWaalsContact C-N 3.33Å; V28-G30 PolarHBondContact O-N 3.46Å; G30-I32 VanDerWaalsContact C-N 3.34Å; G30-I32 PolarHBondContact O-N 3.17Å; G30-A33 WeakPolarHBondContact O-CB 3.27Å; G30-A33 PolarHBondContact O-N 2.97Å; G30-A33 VanDerWaalsContact O-N 3.15Å; G30-L34 VanDerWaalsContact O-CG 3.27Å; G30-L34 WeakPolarHBondContact O-CG 3.44Å; G30-L34 PolarHBondContact O-N 3.23Å |
| 31 | L | 90.2 | Very high | 90 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 177.3 | -68.1 | 171 | 0 | 0 | 0 | 112.7 | R27 V28 Y29 A33 L34 G35 C36 I41 M44 | R27-L31 WeakPolarHBondContact O-CG 3.49Å; R27-L31 PolarHBondContact O-N 3.42Å; V28-L31 PolarHBondContact O-N 3.09Å; Y29-L31 PolarHBondContact O-N 3.27Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 3.5Å; L31-L34 PolarHBondContact O-N 3.12Å; L31-G35 PolarHBondContact O-N 3.22Å; L31-C36 HydrophobicContact CB-CB 4.17Å; L31-C36 VanDerWaalsContact O-CB 3.23Å; L31-C36 WeakPolarHBondContact O-CB 3.27Å; L31-C36 PolarHBondContact O-N 2.93Å; L31-I41 HydrophobicContact CB-CD1 3.62Å; L31-I41 HydrophobicContact CB-CG1 4.08Å; L31-I41 HydrophobicContact CD1-CG1 4.23Å; L31-I41 HydrophobicContact CD1-CG2 4.24Å; L31-M44 HydrophobicContact CD1-CE 3.89Å |
| 32 | I | 89.7 | Confident | 90.1 | Very high | 80 Ų | 80 | 69 Ų | 69 | 41% | 0.41 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.3 | -65.9 | 167.1 | 0 | 0 | 0 | 110.5 | V28 Y29 G30 L34 G35 I41 | V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 2.77Å; Y29-I32 PolarHBondContact O-N 2.75Å; G30-I32 VanDerWaalsContact C-N 3.34Å; G30-I32 PolarHBondContact O-N 3.17Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 2.89Å; I32-G35 PolarHBondContact O-N 3.18Å; I32-I41 HydrophobicContact CG1-CD1 3.66Å |
| 33 | A | 88.4 | Confident | 90.4 | Very high | 31 Ų | 31 | 69.8 Ų | 69.8 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -30.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y29 G30 L31 G35 Y115 | Y29-A33 WeakPolarHBondContact O-CB 3.31Å; Y29-A33 PolarHBondContact O-N 3.4Å; G30-A33 WeakPolarHBondContact O-CB 3.27Å; G30-A33 PolarHBondContact O-N 2.97Å; G30-A33 VanDerWaalsContact O-N 3.15Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 3.5Å; A33-G35 PolarHBondContact O-N 3.48Å; A33-Y115 HydrophobicContact CB-CD2 4.16Å; A33-Y115 HydrophobicContact CB-CE2 3.88Å |
| 34 | L | 89.2 | Confident | 90.6 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -4.7 | 172.7 | -61.1 | 173.7 | 0 | 0 | 0 | 113 | G30 L31 I32 C118 | G30-L34 VanDerWaalsContact O-CG 3.27Å; G30-L34 WeakPolarHBondContact O-CG 3.44Å; G30-L34 PolarHBondContact O-N 3.23Å; L31-L34 PolarHBondContact O-N 3.12Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 2.89Å; L34-C118 HydrophobicContact CD2-CB 4.17Å; L34-C118 WeakPolarHBondContact CD2-SG 3.44Å |
| 35 | G | 88 | Confident | 90.6 | Very high | 42 Ų | 42 | 67.9 Ų | 67.9 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 12.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L31 I32 A33 S37 | L31-G35 PolarHBondContact O-N 3.22Å; I32-G35 PolarHBondContact O-N 3.18Å; A33-G35 PolarHBondContact O-N 3.48Å; G35-S37 PolarHBondContact O-N 3.31Å |
| 36 | C | 89.6 | Confident | 90.5 | Very high | 52 Ų | 52 | 73.4 Ų | 73.4 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | trans | -66 | 134.6 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | L31 I41 | L31-C36 HydrophobicContact CB-CB 4.17Å; L31-C36 VanDerWaalsContact O-CB 3.23Å; L31-C36 WeakPolarHBondContact O-CB 3.27Å; L31-C36 PolarHBondContact O-N 2.93Å; C36-I41 HydrophobicContact CB-CD1 3.94Å; C36-I41 HydrophobicContact CB-CG1 4.02Å | ||
| 37 | S | 91.7 | Very high | 90.4 | Very high | 50 Ų | 50 | 73.8 Ų | 73.8 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | trans | -61.2 | 130.9 | 177.7 | 168.9 | 0 | 0 | 0 | 0 | 111 | G35 D39 V40 I41 | G35-S37 PolarHBondContact O-N 3.31Å; S37-D39 PolarHBondContact O-N 3.26Å; S37-D39 PolarHBondContact OG-N 2.96Å; S37-V40 WeakPolarHBondContact O-CB 3.27Å; S37-V40 PolarHBondContact O-N 3.44Å; S37-I41 WeakPolarHBondContact O-CG1 3.4Å; S37-I41 PolarHBondContact O-N 3.45Å | ||
| 38 | P | 91.4 | Very high | 90.2 | Very high | 86 Ų | 86 | 72.6 Ų | 72.6 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.3 | -36.6 | 175 | -27.6 | 35.5 | 0 | 0 | 0 | 113.5 | V40 I41 F42 | P38-V40 VanDerWaalsContact C-N 3.33Å; P38-V40 PolarHBondContact O-N 3.49Å; P38-I41 PolarHBondContact O-N 2.87Å; P38-F42 WeakPolarHBondContact O-CB 3.45Å; P38-F42 PolarHBondContact O-N 2.95Å |
| 39 | D | 93.1 | Very high | 89.8 | Confident | 119 Ų | 119 | 76 Ų | 76 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.7 | -37.4 | 178.7 | -61.9 | -54.3 | 0 | 0 | 0 | 112.2 | S37 S43 | S37-D39 PolarHBondContact O-N 3.26Å; S37-D39 PolarHBondContact OG-N 2.96Å; D39-S43 WeakPolarHBondContact O-CB 3.35Å; D39-S43 PolarHBondContact O-N 3.48Å; D39-S43 PolarHBondContact O-OG 3.36Å |
| 40 | V | 91.4 | Very high | 89.3 | Confident | 95 Ų | 95 | 75.8 Ų | 75.8 | 58% | 0.576 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.3 | -44.3 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 110 | S37 P38 F42 S43 M44 | S37-V40 WeakPolarHBondContact O-CB 3.27Å; S37-V40 PolarHBondContact O-N 3.44Å; P38-V40 VanDerWaalsContact C-N 3.33Å; P38-V40 PolarHBondContact O-N 3.49Å; V40-F42 VanDerWaalsContact C-N 3.32Å; V40-F42 PolarHBondContact O-N 3.36Å; V40-S43 PolarHBondContact O-N 3.14Å; V40-M44 WeakPolarHBondContact O-CB 3.15Å; V40-M44 PolarHBondContact O-N 2.99Å |
| 41 | I | 92.8 | Very high | 88.3 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 5% | 0.046 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.6 | -60.3 | 167 | 0 | 0 | 0 | 109.9 | V28 L31 I32 C36 S37 P38 S43 M44 L45 | V28-I41 HydrophobicContact CG1-CG2 4.25Å; V28-I41 HydrophobicContact CG2-CG2 4.38Å; L31-I41 HydrophobicContact CB-CD1 3.62Å; L31-I41 HydrophobicContact CB-CG1 4.08Å; L31-I41 HydrophobicContact CD1-CG1 4.23Å; L31-I41 HydrophobicContact CD1-CG2 4.24Å; I32-I41 HydrophobicContact CG1-CD1 3.66Å; C36-I41 HydrophobicContact CB-CD1 3.94Å; C36-I41 HydrophobicContact CB-CG1 4.02Å; S37-I41 WeakPolarHBondContact O-CG1 3.4Å; S37-I41 PolarHBondContact O-N 3.45Å; P38-I41 PolarHBondContact O-N 2.87Å; I41-S43 PolarHBondContact O-N 2.87Å; I41-M44 PolarHBondContact O-N 2.9Å; I41-L45 HydrophobicContact CG2-CD1 4.09Å; I41-L45 HydrophobicContact CG2-CG 4.41Å; I41-L45 WeakPolarHBondContact O-CG 3.49Å; I41-L45 PolarHBondContact O-N 2.86Å |
| 42 | F | 91.3 | Very high | 86.8 | Confident | 140 Ų | 140 | 82.8 Ų | 82.8 | 61% | 0.614 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 177.3 | 178.4 | -105.1 | 0 | 0 | 0 | 112.1 | P38 V40 M44 L45 K46 | P38-F42 WeakPolarHBondContact O-CB 3.45Å; P38-F42 PolarHBondContact O-N 2.95Å; V40-F42 VanDerWaalsContact C-N 3.32Å; V40-F42 PolarHBondContact O-N 3.36Å; F42-M44 VanDerWaalsContact C-N 3.33Å; F42-M44 PolarHBondContact O-N 3Å; F42-L45 PolarHBondContact O-N 3.32Å; F42-K46 WeakPolarHBondContact O-CB 3.34Å; F42-K46 PolarHBondContact O-N 3.46Å |
| 43 | S | 91.3 | Very high | 85.2 | Confident | 71 Ų | 71 | 84.9 Ų | 84.9 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 112 | D39 V40 I41 K46 Y47 | D39-S43 WeakPolarHBondContact O-CB 3.35Å; D39-S43 PolarHBondContact O-N 3.48Å; D39-S43 PolarHBondContact O-OG 3.36Å; V40-S43 PolarHBondContact O-N 3.14Å; I41-S43 PolarHBondContact O-N 2.87Å; S43-K46 PolarHBondContact O-N 2.79Å; S43-Y47 WeakPolarHBondContact O-CB 3.34Å; S43-Y47 PolarHBondContact O-N 2.85Å |
| 44 | M | 91.7 | Very high | 83.5 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 175.4 | -177.7 | -177.4 | 69.8 | 0 | 0 | 111.7 | L31 V40 I41 F42 K46 Y47 L48 | L31-M44 HydrophobicContact CD1-CE 3.89Å; V40-M44 WeakPolarHBondContact O-CB 3.15Å; V40-M44 PolarHBondContact O-N 2.99Å; I41-M44 PolarHBondContact O-N 2.9Å; F42-M44 VanDerWaalsContact C-N 3.33Å; F42-M44 PolarHBondContact O-N 3Å; M44-K46 VanDerWaalsContact C-N 3.32Å; M44-K46 PolarHBondContact O-N 3.18Å; M44-Y47 PolarHBondContact O-N 2.87Å; M44-L48 HydrophobicContact CG-CD1 4.25Å; M44-L48 WeakPolarHBondContact O-CG 3.29Å; M44-L48 PolarHBondContact O-N 2.94Å |
| 45 | L | 89.9 | Confident | 81.6 | Confident | 65 Ų | 65 | 90.7 Ų | 90.7 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.9 | -72 | 174.1 | 0 | 0 | 0 | 111.2 | V28 I41 F42 Y47 L48 T49 | V28-L45 HydrophobicContact CG2-CD1 4.08Å; I41-L45 HydrophobicContact CG2-CD1 4.09Å; I41-L45 HydrophobicContact CG2-CG 4.41Å; I41-L45 WeakPolarHBondContact O-CG 3.49Å; I41-L45 PolarHBondContact O-N 2.86Å; F42-L45 PolarHBondContact O-N 3.32Å; L45-Y47 PolarHBondContact O-N 2.98Å; L45-L48 PolarHBondContact O-N 3.15Å; L45-T49 WeakPolarHBondContact O-CG2 3.4Å; L45-T49 PolarHBondContact O-N 2.87Å; L45-T49 PolarHBondContact O-OG1 3.49Å |
| 46 | K | 88.2 | Confident | 79.7 | Confident | 130 Ų | 130 | 93.8 Ų | 93.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -49 | 175.3 | -174.3 | -180 | 178.1 | -178.7 | 0 | 111.1 | F42 S43 M44 L48 T49 S50 | F42-K46 WeakPolarHBondContact O-CB 3.34Å; F42-K46 PolarHBondContact O-N 3.46Å; S43-K46 PolarHBondContact O-N 2.79Å; M44-K46 VanDerWaalsContact C-N 3.32Å; M44-K46 PolarHBondContact O-N 3.18Å; K46-L48 PolarHBondContact O-N 3.38Å; K46-T49 WeakPolarHBondContact CA-OG1 3.37Å; K46-T49 PolarHBondContact O-N 3.46Å; K46-T49 PolarHBondContact O-OG1 3.38Å; K46-S50 PolarHBondContact O-N 3.05Å; K46-S50 PolarHBondContact O-OG 2.9Å; K46-S50 VanDerWaalsContact O-OG 3.13Å |
| 47 | Y | 88 | Confident | 77.7 | Confident | 159 Ų | 159 | 96.6 Ų | 96.6 | 62% | 0.624 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58 | -47.4 | 176.9 | 178 | -99.9 | 0 | 0 | 0 | 112 | S43 M44 L45 T49 S50 V51 | S43-Y47 WeakPolarHBondContact O-CB 3.34Å; S43-Y47 PolarHBondContact O-N 2.85Å; M44-Y47 PolarHBondContact O-N 2.87Å; L45-Y47 PolarHBondContact O-N 2.98Å; Y47-T49 VanDerWaalsContact C-N 3.33Å; Y47-T49 PolarHBondContact O-N 3.3Å; Y47-S50 PolarHBondContact O-N 3.49Å; Y47-S50 VanDerWaalsContact O-N 3.09Å; Y47-V51 HydrophobicContact CD1-CG2 4.08Å; Y47-V51 HydrophobicContact CD2-CG2 4.16Å; Y47-V51 HydrophobicContact CE1-CG2 3.62Å; Y47-V51 HydrophobicContact CE2-CG2 3.71Å; Y47-V51 HydrophobicContact CG-CG2 4.34Å; Y47-V51 VanDerWaalsContact CZ-CG2 3.42Å; Y47-V51 WeakPolarHBondContact O-CG2 3.49Å; Y47-V51 PolarHBondContact O-N 3.22Å |
| 48 | L | 85.9 | Confident | 75.3 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.5 | -70.4 | 172.5 | 0 | 0 | 0 | 112.1 | M44 L45 K46 S50 H52 | M44-L48 HydrophobicContact CG-CD1 4.25Å; M44-L48 WeakPolarHBondContact O-CG 3.29Å; M44-L48 PolarHBondContact O-N 2.94Å; L45-L48 PolarHBondContact O-N 3.15Å; K46-L48 PolarHBondContact O-N 3.38Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 2.98Å; L48-H52 WeakPolarHBondContact O-CB 3.3Å; L48-H52 PolarHBondContact O-N 3.44Å; L48-H52 VanDerWaalsContact O-N 3.13Å |
| 49 | T | 83.1 | Confident | 72.9 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68 | -30 | 176 | 55 | 0 | 0 | 0 | 0 | 113 | L45 K46 Y47 | L45-T49 WeakPolarHBondContact O-CG2 3.4Å; L45-T49 PolarHBondContact O-N 2.87Å; L45-T49 PolarHBondContact O-OG1 3.49Å; K46-T49 WeakPolarHBondContact CA-OG1 3.37Å; K46-T49 PolarHBondContact O-N 3.46Å; K46-T49 PolarHBondContact O-OG1 3.38Å; Y47-T49 VanDerWaalsContact C-N 3.33Å; Y47-T49 PolarHBondContact O-N 3.3Å |
| 50 | S | 80.9 | Confident | 70.3 | Confident | 60 Ų | 60 | 105 Ų | 105 | 42% | 0.42 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.2 | -43.8 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | K46 Y47 L48 H52 L53 N54 | K46-S50 PolarHBondContact O-N 3.05Å; K46-S50 PolarHBondContact O-OG 2.9Å; K46-S50 VanDerWaalsContact O-OG 3.13Å; Y47-S50 PolarHBondContact O-N 3.49Å; Y47-S50 VanDerWaalsContact O-N 3.09Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 2.98Å; S50-H52 VanDerWaalsContact C-N 3.3Å; S50-H52 PolarHBondContact O-N 2.77Å; S50-L53 WeakPolarHBondContact O-CB 3.48Å; S50-L53 PolarHBondContact O-N 3.41Å; S50-L53 VanDerWaalsContact O-N 3.14Å; S50-N54 PolarHBondContact O-N 3.32Å; S50-N54 PolarHBondContact O-OD1 3.3Å |
| 51 | V | 69.1 | Low | 67.8 | Low | 49 Ų | 49 | 106.8 Ų | 106.8 | 30% | 0.297 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.5 | -37.5 | 178.5 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | Y47 L53 N54 N55 | Y47-V51 HydrophobicContact CD1-CG2 4.08Å; Y47-V51 HydrophobicContact CD2-CG2 4.16Å; Y47-V51 HydrophobicContact CE1-CG2 3.62Å; Y47-V51 HydrophobicContact CE2-CG2 3.71Å; Y47-V51 HydrophobicContact CG-CG2 4.34Å; Y47-V51 VanDerWaalsContact CZ-CG2 3.42Å; Y47-V51 WeakPolarHBondContact O-CG2 3.49Å; Y47-V51 PolarHBondContact O-N 3.22Å; V51-L53 PolarHBondContact O-N 2.9Å; V51-N54 PolarHBondContact O-N 3.28Å; V51-N55 PolarHBondContact O-N 2.96Å |
| 52 | H | 58.6 | Low | 65.2 | Low | 153 Ų | 153 | 114.2 Ų | 114.2 | 71% | 0.708 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -24.5 | 177.7 | -141.7 | 71.6 | 0 | 0 | 0 | 112.9 | L48 S50 | L48-H52 WeakPolarHBondContact O-CB 3.3Å; L48-H52 PolarHBondContact O-N 3.44Å; L48-H52 VanDerWaalsContact O-N 3.13Å; S50-H52 VanDerWaalsContact C-N 3.3Å; S50-H52 PolarHBondContact O-N 2.77Å |
| 53 | L | 55.5 | Low | 62.5 | Low | 125 Ų | 125 | 115.1 Ų | 115.1 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.9 | -35.8 | 177.1 | -160.3 | 70 | 0 | 0 | 0 | 111.9 | S50 V51 T57 | S50-L53 WeakPolarHBondContact O-CB 3.48Å; S50-L53 PolarHBondContact O-N 3.41Å; S50-L53 VanDerWaalsContact O-N 3.14Å; V51-L53 PolarHBondContact O-N 2.9Å; L53-T57 PolarHBondContact O-OG1 2.93Å |
| 54 | N | 51.6 | Low | 59.9 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 54% | 0.535 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.7 | -39.3 | -179 | -71.9 | 23.9 | 0 | 0 | 0 | 112 | S50 V51 S56 T57 | S50-N54 PolarHBondContact O-N 3.32Å; S50-N54 PolarHBondContact O-OD1 3.3Å; V51-N54 PolarHBondContact O-N 3.28Å; N54-S56 PolarHBondContact O-N 3.04Å; N54-T57 PolarHBondContact O-N 3.41Å |
| 55 | N | 50.8 | Low | 57.3 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -12.9 | -178.5 | -66.8 | 8 | 0 | 0 | 0 | 114 | V51 | V51-N55 PolarHBondContact O-N 2.96Š|
| 56 | S | 48.6 | Very low | 55.1 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -7.8 | 176.8 | -131.5 | 0 | 0 | 0 | 0 | 113.4 | N54 | N54-S56 PolarHBondContact O-N 3.04Š|
| 57 | T | 46.7 | Very low | 52.8 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 68% | 0.681 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -8.6 | -177.9 | -37.8 | 0 | 0 | 0 | 0 | 112.5 | L53 N54 | L53-T57 PolarHBondContact O-OG1 2.93Å; N54-T57 PolarHBondContact O-N 3.41Å |
| 58 | E | 41.3 | Very low | 50.5 | Low | 150 Ų | 150 | 122.3 Ų | 122.3 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | trans | -107.6 | 67.3 | 178.7 | -68.3 | -177.6 | 171.5 | 0 | 0 | 111 | ||||
| 59 | L | 41.5 | Very low | 48.1 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 89% | 0.89 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -107.4 | 23.2 | 157.4 | -122.2 | 169.7 | 0 | 0 | 0 | 110.7 | ||
| 60 | V | 37.8 | Very low | 45.9 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -136.6 | 117.6 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 108 | ||
| 61 | D | 39 | Very low | 44 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 75.1 | 97.8 | 162.8 | -69.1 | -26.1 | 0 | 0 | 0 | 120.9 | ||||
| 62 | H | 37.9 | Very low | 42.3 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | 58.8 | 113.9 | 122.5 | -80.7 | -80.9 | 0 | 0 | 0 | 120 | |||||
| 63 | N | 35.2 | Very low | 41.2 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 50.9 | 88.6 | 137.7 | -88.1 | 11.9 | 0 | 0 | 0 | 117.4 | ||||
| 64 | S | 37.5 | Very low | 40.1 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -166.9 | 102.7 | 135.8 | -163.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 65 | I | 36.5 | Very low | 39.5 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -82.1 | 109.6 | 159.3 | -66.4 | 162.8 | 0 | 0 | 0 | 105.8 | ||||
| 66 | S | 43.4 | Very low | 39 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -146.6 | 104.2 | 161.3 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 67 | N | 39.8 | Very low | 38.3 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 34.1 | 92.9 | 138.5 | -48 | -16 | 0 | 0 | 0 | 117.1 | S69 | N67-S69 PolarHBondContact O-N 3.23Š| ||
| 68 | V | 39.6 | Very low | 38 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | trans | -72.7 | 95.6 | 163.6 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 69 | S | 36.8 | Very low | 37.7 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -106.2 | 126.8 | 160.7 | -74.8 | 0 | 0 | 0 | 0 | 109.1 | N67 | N67-S69 PolarHBondContact O-N 3.23Š| ||
| 70 | T | 35 | Very low | 37.8 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -12.6 | 129.3 | 161.9 | 42.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 71 | T | 41.4 | Very low | 37.6 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | 173.5 | 138.6 | 109.7 | 38 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 72 | T | 33.3 | Very low | 37.9 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -30.4 | 135.7 | 166.2 | 36.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 73 | S | 35.9 | Very low | 37.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | 177.2 | 146.9 | 113.5 | -77.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 74 | R | 32.7 | Very low | 38.2 | Very low | 246 Ų | 246 | 144.6 Ų | 144.6 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -40.2 | 133 | -177.5 | -65.9 | 153.7 | 71.1 | 168.9 | 2.4 | 115.5 | ||||
| 75 | S | 38.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -134.4 | 129.5 | 150.1 | -171 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | T | 40.6 | Very low | 38.7 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -80.9 | 143.2 | -177.8 | 37.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 77 | G | 35.2 | Very low | 38.5 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 89.4 | 108.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 78 | Q | 40.5 | Very low | 38.3 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | 176.5 | 125.6 | 98.2 | -89.6 | 179.7 | -9.4 | 0 | 0 | 109.2 | H80 | Q78-H80 PolarHBondContact O-N 2.84Š| |||
| 79 | H | 34 | Very low | 38 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -58.1 | 121.7 | 174.3 | -116.2 | -117.2 | 0 | 0 | 0 | 109.9 | ||||
| 80 | H | 44 | Very low | 37.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | -125.2 | 122.1 | 157 | -91.5 | 47.3 | 0 | 0 | 0 | 109.1 | Q78 V82 | Q78-H80 PolarHBondContact O-N 2.84Å; H80-V82 PolarHBondContact O-N 3.39Å | ||
| 81 | Q | 33.9 | Very low | 38.2 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 115.4 | -178.2 | -177.9 | -169.2 | 57.8 | 0 | 0 | 109.4 | ||||
| 82 | V | 44.3 | Very low | 38.1 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -94.1 | 113.3 | 174.8 | -173 | 0 | 0 | 0 | 0 | 108.8 | H80 R84 | H80-V82 PolarHBondContact O-N 3.39Å; V82-R84 PolarHBondContact O-N 3.47Å | ||
| 83 | N | 35.6 | Very low | 38.7 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 120.7 | 174.1 | -168.9 | -8.9 | 0 | 0 | 0 | 109.7 | S85 | N83-S85 VanDerWaalsContact C-N 3.29Å; N83-S85 PolarHBondContact ND2-OG 2.93Å; N83-S85 PolarHBondContact O-N 3.09Å; N83-S85 PolarHBondContact OD1-N 2.97Å; N83-S85 PolarHBondContact OD1-OG 2.84Å | ||
| 84 | R | 44.2 | Very low | 38.8 | Very low | 223 Ų | 223 | 152 Ų | 152 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -84 | 3.4 | -171.2 | -120.9 | 177.6 | 174.4 | 151.2 | -3.1 | 113.7 | V82 | V82-R84 PolarHBondContact O-N 3.47Š|
| 85 | S | 42.4 | Very low | 39.3 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -85.6 | -6.5 | -166.3 | 58 | 0 | 0 | 0 | 0 | 116.6 | N83 | N83-S85 VanDerWaalsContact C-N 3.29Å; N83-S85 PolarHBondContact ND2-OG 2.93Å; N83-S85 PolarHBondContact O-N 3.09Å; N83-S85 PolarHBondContact OD1-N 2.97Å; N83-S85 PolarHBondContact OD1-OG 2.84Å |
| 86 | E | 41.8 | Very low | 39.4 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -112.8 | 6.5 | -170.5 | -72.4 | -175 | 160.6 | 0 | 0 | 115.7 | V88 | E86-V88 PolarHBondContact O-N 3.4Š|
| 87 | F | 39.4 | Very low | 39.5 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -80.2 | 22.7 | -177.4 | -85.8 | -84.4 | 0 | 0 | 0 | 115.3 | ||||
| 88 | V | 35.8 | Very low | 39.7 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -121.5 | 122.5 | 178.7 | -171 | 0 | 0 | 0 | 0 | 109.3 | E86 | E86-V88 PolarHBondContact O-N 3.4Š|
| 89 | A | 32.9 | Very low | 39.9 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 78 | 92.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 90 | S | 34.2 | Very low | 40 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | 167.7 | 77.2 | 132.3 | -76.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 91 | R | 42 | Very low | 39.6 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 85% | 0.849 | 72% | 0.72 | S | S | * | * | trans | -102 | 89.8 | 162.2 | -92.4 | -168 | -82.2 | 161.5 | -4 | 108.9 | ||||
| 92 | N | 38.9 | Very low | 39.9 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | trans | -61.1 | 139.1 | 165.4 | -165.7 | -32.9 | 0 | 0 | 0 | 109.1 | E94 | N92-E94 PolarHBondContact O-N 3.35Š| ||
| 93 | L | 46.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 59% | 0.592 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -96.3 | 12.2 | -148 | -156.9 | 74.8 | 0 | 0 | 0 | 113.6 | ||
| 94 | E | 37 | Very low | 40 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -8 | -159.6 | -123.4 | 130.8 | 124.2 | 0 | 0 | 116.5 | N92 | N92-E94 PolarHBondContact O-N 3.35Š|
| 95 | S | 43.1 | Very low | 39.9 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 11 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | Q97 | S95-Q97 PolarHBondContact O-N 3.38Š|
| 96 | R | 41.6 | Very low | 39.9 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 44% | 0.438 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | 2.5 | -166.6 | -71.7 | -171.1 | 72.2 | -169.5 | 0.6 | 117.1 | ||
| 97 | Q | 41.5 | Very low | 40.2 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -28.8 | -175.5 | -65.6 | -170.4 | 7.3 | 0 | 0 | 114 | S95 F99 | S95-Q97 PolarHBondContact O-N 3.38Å; Q97-F99 PolarHBondContact O-N 3.39Å |
| 98 | S | 39.4 | Very low | 40.8 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -79.4 | -14.8 | -176.8 | -172.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 99 | F | 44.5 | Very low | 41.2 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -106.3 | -10 | -178.8 | -69 | -76.9 | 0 | 0 | 0 | 113.4 | Q97 S101 T102 F103 | Q97-F99 PolarHBondContact O-N 3.39Å; F99-S101 VanDerWaalsContact C-N 3.32Å; F99-S101 PolarHBondContact O-N 3.26Å; F99-T102 PolarHBondContact O-N 3.36Å; F99-F103 HydrophobicContact CB-CD2 4.1Å; F99-F103 HydrophobicContact CB-CE2 3.98Å; F99-F103 HydrophobicContact CD1-CE2 4.23Å; F99-F103 HydrophobicContact CG-CE2 4.48Å; F99-F103 WeakPolarHBondContact O-CD2 3.46Å; F99-F103 PolarHBondContact O-N 3.5Å |
| 100 | R | 37.4 | Very low | 42 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 65% | 0.653 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -30.1 | -175.9 | -100.3 | -178.8 | 165.1 | -96.7 | 7.4 | 112.9 | S104 | R100-S104 WeakPolarHBondContact O-CB 2.96Å; R100-S104 PolarHBondContact O-N 2.99Å |
| 101 | S | 35.1 | Very low | 42.7 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.2 | -40.6 | 177.5 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | F99 F103 | F99-S101 VanDerWaalsContact C-N 3.32Å; F99-S101 PolarHBondContact O-N 3.26Å; S101-F103 PolarHBondContact O-N 2.87Å |
| 102 | T | 40.9 | Very low | 43.2 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 58% | 0.577 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.3 | -28 | -177.2 | -28.7 | 0 | 0 | 0 | 0 | 113.4 | F99 | F99-T102 PolarHBondContact O-N 3.36Å |
| 103 | F | 40.6 | Very low | 43.9 | Very low | 87 Ų | 87 | 115.4 Ų | 115.4 | 38% | 0.382 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -91.9 | -14.9 | 179.5 | -69.8 | -63.6 | 0 | 0 | 0 | 114.2 | F99 S101 D105 C106 | F99-F103 HydrophobicContact CB-CD2 4.1Å; F99-F103 HydrophobicContact CB-CE2 3.98Å; F99-F103 HydrophobicContact CD1-CE2 4.23Å; F99-F103 HydrophobicContact CG-CE2 4.48Å; F99-F103 WeakPolarHBondContact O-CD2 3.46Å; F99-F103 PolarHBondContact O-N 3.5Å; S101-F103 PolarHBondContact O-N 2.87Å; F103-D105 VanDerWaalsContact C-N 3.32Å; F103-C106 PolarHBondContact O-N 3.26Å |
| 104 | S | 39.9 | Very low | 44.2 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 54% | 0.538 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.5 | -27.8 | 179.5 | -162.8 | 0 | 0 | 0 | 0 | 112.4 | R100 | R100-S104 WeakPolarHBondContact O-CB 2.96Å; R100-S104 PolarHBondContact O-N 2.99Å |
| 105 | D | 42.7 | Very low | 44.9 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | -29.8 | 176.6 | -82.4 | -22.3 | 0 | 0 | 0 | 112.4 | F103 D107 Q108 Y109 | F103-D105 VanDerWaalsContact C-N 3.32Å; D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3Å; D105-Q108 PolarHBondContact O-N 3.34Å; D105-Y109 WeakPolarHBondContact O-CD2 3.23Å |
| 106 | C | 42.2 | Very low | 45.6 | Very low | 64 Ų | 64 | 108.7 Ų | 108.7 | 43% | 0.432 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.2 | -27.8 | -179.1 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | F103 Q108 Y109 L110 | F103-C106 PolarHBondContact O-N 3.26Å; C106-Q108 PolarHBondContact O-N 3.21Å; C106-Y109 PolarHBondContact O-N 3.39Å; C106-Y109 VanDerWaalsContact O-N 3.12Å; C106-L110 PolarHBondContact O-N 3.47Å |
| 107 | D | 48.7 | Very low | 46.3 | Very low | 124 Ų | 124 | 108.3 Ų | 108.3 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.1 | -25.2 | 178.4 | -76.3 | -21.7 | 0 | 0 | 0 | 111.8 | D105 | D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3Å |
| 108 | Q | 50.8 | Low | 46.8 | Very low | 148 Ų | 148 | 100.9 Ų | 100.9 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.4 | -28.7 | 171.6 | -74.4 | -171.3 | 3.9 | 0 | 0 | 112.7 | D105 C106 L110 | D105-Q108 PolarHBondContact O-N 3.34Å; C106-Q108 PolarHBondContact O-N 3.21Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 3.31Å |
| 109 | Y | 46 | Very low | 47.6 | Very low | 163 Ų | 163 | 102.1 Ų | 102.1 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.3 | -14.8 | -179.8 | -70.9 | -82.7 | 0 | 0 | 0 | 113.5 | D105 C106 N114 | D105-Y109 WeakPolarHBondContact O-CD2 3.23Å; C106-Y109 PolarHBondContact O-N 3.39Å; C106-Y109 VanDerWaalsContact O-N 3.12Å; Y109-N114 WeakPolarHBondContact CA-ND2 3.23Å; Y109-N114 WeakPolarHBondContact O-CB 3.37Å; Y109-N114 PolarHBondContact O-ND2 3.38Å |
| 110 | L | 49.9 | Very low | 48.2 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 22 | 177.3 | -73.6 | 168.9 | 0 | 0 | 0 | 113.5 | C106 Q108 | C106-L110 PolarHBondContact O-N 3.47Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 3.31Å |
| 111 | N | 48.7 | Very low | 49 | Very low | 104 Ų | 104 | 99.9 Ų | 99.9 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -74 | 146.3 | 169.9 | -163.1 | 4.4 | 0 | 0 | 0 | 110.2 | Q113 N114 | N111-Q113 PolarHBondContact O-N 3.39Å; N111-N114 PolarHBondContact O-N 3.35Å |
| 112 | G | 52.3 | Low | 49.5 | Very low | 48 Ų | 48 | 101.1 Ų | 101.1 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -54.1 | -19.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 113 | Q | 53.1 | Low | 49.9 | Very low | 154 Ų | 154 | 102.9 Ų | 102.9 | 72% | 0.72 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -36.3 | 172.6 | -72.9 | 179.2 | -22.8 | 0 | 0 | 113.8 | N111 E116 L117 | N111-Q113 PolarHBondContact O-N 3.39Å; Q113-E116 PolarHBondContact O-N 3.34Å; Q113-L117 PolarHBondContact O-N 3.41Å |
| 114 | N | 53.1 | Low | 50.1 | Low | 47 Ų | 47 | 107.7 Ų | 107.7 | 25% | 0.251 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.6 | -27.5 | 178.9 | -76.4 | -27.9 | 0 | 0 | 0 | 112.3 | Y109 N111 E116 L117 C118 | Y109-N114 WeakPolarHBondContact CA-ND2 3.23Å; Y109-N114 WeakPolarHBondContact O-CB 3.37Å; Y109-N114 PolarHBondContact O-ND2 3.38Å; N111-N114 PolarHBondContact O-N 3.35Å; N114-E116 VanDerWaalsContact C-N 3.28Å; N114-E116 PolarHBondContact O-N 3.44Å; N114-L117 PolarHBondContact O-N 3.28Å; N114-C118 PolarHBondContact O-N 3.25Å; N114-C118 VanDerWaalsContact O-N 3.12Å |
| 115 | Y | 52.4 | Low | 50.4 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 42% | 0.42 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.8 | -39 | 172.5 | -177.9 | -109.9 | 0 | 0 | 0 | 111.8 | A33 C118 K119 | A33-Y115 HydrophobicContact CB-CD2 4.16Å; A33-Y115 HydrophobicContact CB-CE2 3.88Å; Y115-C118 PolarHBondContact O-N 3.43Å; Y115-K119 HydrophobicContact CE1-CD 4.43Å; Y115-K119 VanDerWaalsContact CE1-NZ 3.26Å; Y115-K119 PolarHBondContact O-N 3.42Å |
| 116 | E | 57 | Low | 50.2 | Low | 90 Ų | 90 | 116 Ų | 116 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.1 | -36 | 176.8 | -66.6 | -57.3 | 129.9 | 0 | 0 | 112.7 | Q113 N114 C118 K119 M120 | Q113-E116 PolarHBondContact O-N 3.34Å; N114-E116 VanDerWaalsContact C-N 3.28Å; N114-E116 PolarHBondContact O-N 3.44Å; E116-C118 VanDerWaalsContact C-N 3.27Å; E116-C118 PolarHBondContact O-N 3.12Å; E116-K119 PolarHBondContact O-N 3.47Å; E116-K119 IonicContact OE1-NZ 3.69Å; E116-K119 PolarHBondContact OE1-NZ 3.46Å; E116-K119 IonicContact OE2-NZ 3.77Å; E116-M120 PolarHBondContact O-N 3.04Å |
| 117 | L | 56.7 | Low | 50.2 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.8 | -37.4 | 173.2 | -81.4 | 165.4 | 0 | 0 | 0 | 112.1 | Q113 N114 M120 | Q113-L117 PolarHBondContact O-N 3.41Å; N114-L117 PolarHBondContact O-N 3.28Å; L117-M120 PolarHBondContact O-N 3.21Å |
| 118 | C | 51.4 | Low | 50 | Low | 24 Ų | 24 | 117 Ų | 117 | 16% | 0.162 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -72.7 | -27 | 178.8 | -72.4 | 0 | 0 | 0 | 0 | 114 | L34 N114 Y115 E116 M120 L121 | L34-C118 HydrophobicContact CD2-CB 4.17Å; L34-C118 WeakPolarHBondContact CD2-SG 3.44Å; N114-C118 PolarHBondContact O-N 3.25Å; N114-C118 VanDerWaalsContact O-N 3.12Å; Y115-C118 PolarHBondContact O-N 3.43Å; E116-C118 VanDerWaalsContact C-N 3.27Å; E116-C118 PolarHBondContact O-N 3.12Å; C118-M120 VanDerWaalsContact C-N 3.26Å; C118-M120 PolarHBondContact O-N 3.48Å; C118-L121 PolarHBondContact O-N 2.71Å |
| 119 | K | 55.3 | Low | 49.6 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.6 | -25.5 | 170.2 | -69.8 | 179 | -173.6 | 166 | 0 | 113 | Y115 E116 | Y115-K119 HydrophobicContact CE1-CD 4.43Å; Y115-K119 VanDerWaalsContact CE1-NZ 3.26Å; Y115-K119 PolarHBondContact O-N 3.42Å; E116-K119 PolarHBondContact O-N 3.47Å; E116-K119 IonicContact OE1-NZ 3.69Å; E116-K119 PolarHBondContact OE1-NZ 3.46Å; E116-K119 IonicContact OE2-NZ 3.77Å |
| 120 | M | 57.8 | Low | 49.5 | Very low | 155 Ų | 155 | 118.8 Ų | 118.8 | 76% | 0.764 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7.9 | -179.5 | -66.9 | -166.5 | 176.3 | 0 | 0 | 113.8 | E116 L117 C118 | E116-M120 PolarHBondContact O-N 3.04Å; L117-M120 PolarHBondContact O-N 3.21Å; C118-M120 VanDerWaalsContact C-N 3.26Å; C118-M120 PolarHBondContact O-N 3.48Å |
| 121 | L | 54.3 | Low | 49.1 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -73.5 | 126.7 | 173.9 | -70.5 | 172.1 | 0 | 0 | 0 | 109.9 | C118 N123 | C118-L121 PolarHBondContact O-N 2.71Å; L121-N123 PolarHBondContact O-N 2.91Å |
| 122 | P | 46.7 | Very low | 48.9 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | trans | -68.1 | 101.2 | 179.3 | 25.7 | -31.4 | 0 | 0 | 0 | 109.9 | K124 | P122-K124 PolarHBondContact O-N 2.8Š| ||
| 123 | N | 48.6 | Very low | 48.3 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | -67.2 | 70.6 | 162.9 | -76.8 | -38 | 0 | 0 | 0 | 109.5 | L121 P125 | L121-N123 PolarHBondContact O-N 2.91Å; N123-P125 VanDerWaalsContact O-CD 3.31Å; N123-P125 WeakPolarHBondContact O-CD 3.31Å | ||
| 124 | K | 44.7 | Very low | 48.1 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | trans | -97.3 | 104.4 | 163.9 | -96 | -177.4 | 176.9 | 176.8 | 0 | 108.1 | P122 R126 | P122-K124 PolarHBondContact O-N 2.8Å; K124-R126 PolarHBondContact O-N 2.8Å | ||
| 125 | P | 45.6 | Very low | 48.1 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 67% | 0.665 | S | S | * | * | trans | -60.7 | 111.5 | 159.4 | 25.2 | -26.8 | 0 | 0 | 0 | 105.7 | N123 V127 | N123-P125 VanDerWaalsContact O-CD 3.31Å; N123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-V127 PolarHBondContact O-N 2.98Å | ||
| 126 | R | 39.4 | Very low | 47.7 | Very low | 244 Ų | 244 | 132.3 Ų | 132.3 | 92% | 0.921 | 68% | 0.683 | S | S | * | * | trans | -70.4 | 83.3 | 170.8 | -144 | 179.7 | -165.9 | 167.5 | 3 | 105.6 | K124 S128 | K124-R126 PolarHBondContact O-N 2.8Å; R126-S128 PolarHBondContact O-N 2.95Å | ||
| 127 | V | 41.8 | Very low | 47.3 | Very low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | trans | -63.3 | 96.9 | 167.3 | 180 | 0 | 0 | 0 | 0 | 105 | P125 Q129 | P125-V127 PolarHBondContact O-N 2.98Å; V127-Q129 VanDerWaalsContact C-N 3.3Å; V127-Q129 PolarHBondContact O-N 2.88Å | ||
| 128 | S | 43.5 | Very low | 46.8 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -64.7 | 99 | 167.8 | -168.2 | 0 | 0 | 0 | 0 | 106 | R126 H130 | R126-S128 PolarHBondContact O-N 2.95Å; S128-H130 VanDerWaalsContact C-N 3.27Å; S128-H130 PolarHBondContact O-N 2.89Å | ||
| 129 | Q | 43.2 | Very low | 46.6 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -60.9 | 98.6 | 164.8 | -81.3 | -175.5 | -24.3 | 0 | 0 | 106.7 | V127 H131 | V127-Q129 VanDerWaalsContact C-N 3.3Å; V127-Q129 PolarHBondContact O-N 2.88Å; Q129-H131 PolarHBondContact O-N 2.98Å | ||
| 130 | H | 44.2 | Very low | 46.1 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -58.4 | 104.6 | 162.8 | -85.4 | -91 | 0 | 0 | 0 | 107.2 | S128 P132 | S128-H130 VanDerWaalsContact C-N 3.27Å; S128-H130 PolarHBondContact O-N 2.89Å; H130-P132 VanDerWaalsContact O-CD 3.28Å; H130-P132 WeakPolarHBondContact O-CD 3.28Å | ||
| 131 | H | 42.3 | Very low | 45.4 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | -73.2 | 114 | 168.8 | -152.5 | 70.1 | 0 | 0 | 0 | 107.3 | Q129 | Q129-H131 PolarHBondContact O-N 2.98Š| ||
| 132 | P | 42.7 | Very low | 44.9 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 141.6 | 171.4 | 33.9 | -27.3 | 0 | 0 | 0 | 108 | H130 | H130-P132 VanDerWaalsContact O-CD 3.28Å; H130-P132 WeakPolarHBondContact O-CD 3.28Å | ||
| 133 | H | 39.9 | Very low | 44.8 | Very low | 162 Ų | 162 | 154 Ų | 154 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | trans | 64.8 | 107.8 | 162 | -80.1 | -71 | 0 | 0 | 0 | 118.7 | ||||
| 134 | S | 50.6 | Low | 44.6 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | -151.1 | 118.4 | 128.3 | -79.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 135 | K | 52.5 | Low | 44.6 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 151.7 | 175.1 | -79.3 | 173.1 | 171.6 | 174 | 0 | 110.4 | ||||
| 136 | P | 43.7 | Very low | 44.5 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 129 | 162.3 | 33.5 | -27.5 | 0 | 0 | 0 | 108.4 | ||||
| 137 | N | 49 | Very low | 44.9 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -160.7 | 86.5 | 165.6 | -94.8 | -23.1 | 0 | 0 | 0 | 108.2 | ||||
| 138 | L | 45.6 | Very low | 45.2 | Very low | 248 Ų | 248 | 152.3 Ų | 152.3 | 100% | 1.298 | 81% | 0.807 | S | S | * | * | -179.1 | 0 | 114.1 | -132.1 | 81.2 | 0 | 0 | 0 | 108.8 |
Retrieved 138 of 138 residues in 72 ms
(Link to these results)