| 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 | 65.6 | Low | 86.2 | Confident | 241 Ų | 241 | 99.6 Ų | 99.6 | 100% | 1.187 | 51% | 0.509 | S | S | * | . | 0 | 138.2 | 0 | -72.7 | 162.3 | 71.2 | 0 | 0 | 107.7 | D3 | M1-D3 PolarHBondContact O-N 2.93Š| |||
| 2 | V | 73.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 91.6 Ų | 91.6 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | trans | -72.3 | 120.5 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | V4 L7 | V2-V4 PolarHBondContact O-N 3.36Å; V2-L7 HydrophobicContact CG1-CD1 4.2Å; V2-L7 HydrophobicContact CG1-CD2 4.38Å | ||
| 3 | D | 85.1 | Confident | 87.2 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | trans | -79.5 | 105 | 172.8 | -173.3 | -0.3 | 0 | 0 | 0 | 109.7 | M1 K5 C6 | M1-D3 PolarHBondContact O-N 2.93Å; D3-K5 PolarHBondContact O-N 3.17Å; D3-K5 PolarHBondContact OD1-N 3.07Å; D3-K5 VanDerWaalsContact OD1-N 3.09Å; D3-C6 HydrophobicContact CB-CB 4.28Å; D3-C6 PolarHBondContact O-N 3.44Å; D3-C6 PolarHBondContact OD2-SG 3.16Å | ||
| 4 | V | 85.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 90.5 Ų | 90.5 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24.6 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | V2 L12 E35 L38 V39 | V2-V4 PolarHBondContact O-N 3.36Å; V4-L12 HydrophobicContact CG1-CD1 4.43Å; V4-E35 HydrophobicContact CG1-CB 3.59Å; V4-E35 HydrophobicContact CG1-CG 3.8Å; V4-L38 HydrophobicContact CG1-CB 4.42Å; V4-L38 HydrophobicContact CG1-CD2 4.04Å; V4-L38 HydrophobicContact CG2-CD2 4.28Å; V4-V39 HydrophobicContact CB-CG2 4.4Å; V4-V39 HydrophobicContact CG2-CG2 3.75Å |
| 5 | K | 86.7 | Confident | 87.9 | Confident | 170 Ų | 170 | 87.9 Ų | 87.9 | 74% | 0.739 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -24.4 | 180 | -70 | -178.2 | 179.2 | 177.3 | 0 | 113.4 | D3 L7 | D3-K5 PolarHBondContact O-N 3.17Å; D3-K5 PolarHBondContact OD1-N 3.07Å; D3-K5 VanDerWaalsContact OD1-N 3.09Å; K5-L7 VanDerWaalsContact C-N 3.31Å |
| 6 | C | 89.4 | Confident | 88.1 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -85.9 | -4.8 | 177.9 | -71 | 0 | 0 | 0 | 0 | 113 | D3 | D3-C6 HydrophobicContact CB-CB 4.28Å; D3-C6 PolarHBondContact O-N 3.44Å; D3-C6 PolarHBondContact OD2-SG 3.16Å |
| 7 | L | 89.9 | Confident | 88.3 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | trans | -72 | 138.1 | 177.5 | -64.4 | 178 | 0 | 0 | 0 | 111.1 | V2 K5 E11 L38 | V2-L7 HydrophobicContact CG1-CD1 4.2Å; V2-L7 HydrophobicContact CG1-CD2 4.38Å; K5-L7 VanDerWaalsContact C-N 3.31Å; L7-E11 HydrophobicContact CB-CB 4.36Å; L7-E11 HydrophobicContact CD2-CB 4.17Å; L7-L38 HydrophobicContact CD1-CD2 3.72Å | ||
| 8 | S | 93.3 | Very high | 88.4 | Confident | 58 Ų | 58 | 85.6 Ų | 85.6 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | trans | -68.6 | 160.2 | 165.4 | 68.5 | 0 | 0 | 0 | 0 | 111 | Y10 E11 L12 | S8-Y10 PolarHBondContact O-N 3.01Å; S8-E11 PolarHBondContact O-N 3.29Å; S8-E11 VanDerWaalsContact O-N 3.09Å; S8-E11 WeakPolarHBondContact OG-CG 3.1Å; S8-E11 PolarHBondContact OG-N 3.02Å; S8-L12 WeakPolarHBondContact O-CB 3.38Å; S8-L12 PolarHBondContact O-N 3.46Å | ||
| 9 | D | 93.3 | Very high | 88.5 | Confident | 58 Ų | 58 | 84.9 Ų | 84.9 | 31% | 0.31 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -54 | -43.1 | 176.3 | -67.2 | -39.8 | 0 | 0 | 0 | 112.1 | E11 L12 H13 I26 R31 | D9-E11 VanDerWaalsContact C-N 3.34Å; D9-E11 PolarHBondContact O-N 3.18Å; D9-L12 PolarHBondContact O-N 3.1Å; D9-H13 WeakPolarHBondContact O-CB 3.38Å; D9-H13 PolarHBondContact O-N 3.46Å; D9-I26 HydrophobicContact CB-CB 4.29Å; D9-I26 HydrophobicContact CB-CD1 4.26Å; D9-I26 HydrophobicContact CB-CG2 4.15Å; D9-I26 WeakPolarHBondContact O-CD1 3.47Å; D9-I26 WeakPolarHBondContact OD1-CG2 3.16Å; D9-R31 IonicContact OD1-CZ 3.05Å; D9-R31 IonicContact OD1-NE 2.69Å; D9-R31 PolarHBondContact OD1-NE 3.36Å; D9-R31 IonicContact OD1-NH2 2.73Å; D9-R31 PolarHBondContact OD1-NH2 3.1Å; D9-R31 IonicContact OD2-CZ 3.77Å; D9-R31 IonicContact OD2-NH2 2.7Å; D9-R31 PolarHBondContact OD2-NH2 3.41Å |
| 10 | Y | 92.5 | Very high | 88.5 | Confident | 164 Ų | 164 | 84 Ų | 84 | 64% | 0.643 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 179.6 | 176.7 | -104.7 | 0 | 0 | 0 | 111.9 | S8 H13 K14 | S8-Y10 PolarHBondContact O-N 3.01Å; Y10-H13 WeakPolarHBondContact O-CB 3.13Å; Y10-H13 PolarHBondContact O-N 3.47Å; Y10-K14 WeakPolarHBondContact O-CB 3.32Å; Y10-K14 PolarHBondContact O-N 3.41Å |
| 11 | E | 93.4 | Very high | 88.5 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 178.2 | -71.7 | -176.1 | 137.7 | 0 | 0 | 112.2 | L7 S8 D9 H13 K14 H15 | L7-E11 HydrophobicContact CB-CB 4.36Å; L7-E11 HydrophobicContact CD2-CB 4.17Å; S8-E11 PolarHBondContact O-N 3.29Å; S8-E11 VanDerWaalsContact O-N 3.09Å; S8-E11 WeakPolarHBondContact OG-CG 3.1Å; S8-E11 PolarHBondContact OG-N 3.02Å; D9-E11 VanDerWaalsContact C-N 3.34Å; D9-E11 PolarHBondContact O-N 3.18Å; E11-H13 VanDerWaalsContact C-N 3.29Å; E11-H13 PolarHBondContact O-N 2.97Å; E11-K14 PolarHBondContact O-N 3.31Å; E11-H15 PolarHBondContact O-N 3.45Å; E11-H15 PolarHBondContact O-ND1 3.44Å |
| 12 | L | 92.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 173.9 | -179.5 | 59.7 | 0 | 0 | 0 | 110.4 | V4 S8 D9 H15 L16 I26 R31 E35 L38 | V4-L12 HydrophobicContact CG1-CD1 4.43Å; S8-L12 WeakPolarHBondContact O-CB 3.38Å; S8-L12 PolarHBondContact O-N 3.46Å; D9-L12 PolarHBondContact O-N 3.1Å; L12-H15 PolarHBondContact O-N 3.32Å; L12-L16 HydrophobicContact CD1-CD1 4.38Å; L12-L16 HydrophobicContact CG-CD1 4.32Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.91Å; L12-L16 VanDerWaalsContact O-N 3.1Å; L12-I26 HydrophobicContact CB-CD1 4.42Å; L12-I26 HydrophobicContact CD2-CD1 4.47Å; L12-I26 HydrophobicContact CG-CD1 4.47Å; L12-R31 HydrophobicContact CD2-CG 4.1Å; L12-E35 HydrophobicContact CD2-CG 4.05Å; L12-L38 HydrophobicContact CD1-CB 4.17Å; L12-L38 HydrophobicContact CD1-CD2 3.82Å |
| 13 | H | 92.8 | Very high | 90.4 | Very high | 66 Ų | 66 | 72.7 Ų | 72.7 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 175.3 | -174.8 | -117.9 | 0 | 0 | 0 | 112.1 | D9 Y10 E11 H15 L16 M17 P23 I26 | D9-H13 WeakPolarHBondContact O-CB 3.38Å; D9-H13 PolarHBondContact O-N 3.46Å; Y10-H13 WeakPolarHBondContact O-CB 3.13Å; Y10-H13 PolarHBondContact O-N 3.47Å; E11-H13 VanDerWaalsContact C-N 3.29Å; E11-H13 PolarHBondContact O-N 2.97Å; H13-H15 VanDerWaalsContact C-N 3.34Å; H13-H15 PolarHBondContact O-N 2.98Å; H13-L16 PolarHBondContact O-N 3.26Å; H13-M17 VanDerWaalsContact O-CG 3.27Å; H13-M17 WeakPolarHBondContact O-CG 3.34Å; H13-M17 PolarHBondContact O-N 3.24Å; H13-P23 WeakPolarHBondContact CD2-CG 3.27Å; H13-I26 HydrophobicContact CB-CD1 3.78Å |
| 14 | K | 92.8 | Very high | 90.7 | Very high | 102 Ų | 102 | 70 Ų | 70 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | -179.6 | -173.4 | 178 | -178 | 179.9 | 0 | 112.2 | Y10 E11 M17 K18 | Y10-K14 WeakPolarHBondContact O-CB 3.32Å; Y10-K14 PolarHBondContact O-N 3.41Å; E11-K14 PolarHBondContact O-N 3.31Å; K14-M17 PolarHBondContact O-N 3.4Å; K14-K18 VanDerWaalsContact O-CG 3.32Å; K14-K18 WeakPolarHBondContact O-CG 3.45Å; K14-K18 PolarHBondContact O-N 2.69Å |
| 15 | H | 91.7 | Very high | 91.1 | Very high | 52 Ų | 52 | 74.1 Ų | 74.1 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 177.9 | -79.4 | 85.5 | 0 | 0 | 0 | 111.8 | E11 L12 H13 M17 K18 L19 L38 | E11-H15 PolarHBondContact O-N 3.45Å; E11-H15 PolarHBondContact O-ND1 3.44Å; L12-H15 PolarHBondContact O-N 3.32Å; H13-H15 VanDerWaalsContact C-N 3.34Å; H13-H15 PolarHBondContact O-N 2.98Å; H15-M17 VanDerWaalsContact C-N 3.34Å; H15-M17 PolarHBondContact O-N 3.46Å; H15-K18 PolarHBondContact O-N 2.79Å; H15-L19 WeakPolarHBondContact O-CG 3.33Å; H15-L19 PolarHBondContact O-N 2.89Å; H15-L38 HydrophobicContact CB-CD1 3.77Å; H15-L38 HydrophobicContact CB-CD2 4Å |
| 16 | L | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.8 | -70.3 | 170.3 | 0 | 0 | 0 | 111.8 | L12 H13 K18 L19 G20 F21 P23 Y34 K37 L38 L41 | L12-L16 HydrophobicContact CD1-CD1 4.38Å; L12-L16 HydrophobicContact CG-CD1 4.32Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.91Å; L12-L16 VanDerWaalsContact O-N 3.1Å; H13-L16 PolarHBondContact O-N 3.26Å; L16-K18 PolarHBondContact O-N 2.93Å; L16-L19 CarbonylContact O-C 3.59Å; L16-L19 PolarHBondContact O-N 3.31Å; L16-L19 VanDerWaalsContact O-N 3.13Å; L16-G20 PolarHBondContact O-N 3.09Å; L16-F21 CarbonylContact C-O 3.19Å; L16-F21 HydrophobicContact CB-CB 4.37Å; L16-F21 HydrophobicContact CB-CD1 4.08Å; L16-F21 HydrophobicContact CD1-CD1 4.35Å; L16-F21 HydrophobicContact CD2-CD1 4.27Å; L16-F21 HydrophobicContact CG-CD1 4.47Å; L16-F21 PolarHBondContact O-N 3.33Å; L16-F21 VanDerWaalsContact O-O 3.07Å; L16-P23 HydrophobicContact CB-CG 3.64Å; L16-P23 HydrophobicContact CD1-CB 4.24Å; L16-P23 HydrophobicContact CD1-CG 3.7Å; L16-P23 HydrophobicContact CG-CG 4.33Å; L16-Y34 HydrophobicContact CD1-CD1 3.77Å; L16-Y34 HydrophobicContact CD1-CG 4.02Å; L16-K37 HydrophobicContact CD2-CB 4.12Å; L16-L38 HydrophobicContact CD2-CB 4.03Å; L16-L38 HydrophobicContact CD2-CD1 4.47Å; L16-L41 HydrophobicContact CD2-CD1 3.92Å |
| 17 | M | 91.4 | Very high | 91.6 | Very high | 77 Ų | 77 | 67.2 Ų | 67.2 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.3 | -71.5 | -108.3 | 62.8 | 0 | 0 | 112.7 | H13 K14 H15 L19 G20 F21 T22 | H13-M17 VanDerWaalsContact O-CG 3.27Å; H13-M17 WeakPolarHBondContact O-CG 3.34Å; H13-M17 PolarHBondContact O-N 3.24Å; K14-M17 PolarHBondContact O-N 3.4Å; H15-M17 VanDerWaalsContact C-N 3.34Å; H15-M17 PolarHBondContact O-N 3.46Å; M17-L19 PolarHBondContact O-N 2.7Å; M17-G20 PolarHBondContact O-N 2.73Å; M17-F21 VanDerWaalsContact CA-O 3.24Å; M17-F21 WeakPolarHBondContact CA-O 3.24Å; M17-F21 PolarHBondContact N-O 3.04Å; M17-T22 HydrophobicContact CE-CG2 3.82Å; M17-T22 WeakPolarHBondContact CE-OG1 3.34Å; M17-T22 HydrophobicContact SD-CG2 4.49Å |
| 18 | K | 90.9 | Very high | 91.6 | Very high | 144 Ų | 144 | 71.1 Ų | 71.1 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.2 | -31.8 | 175.5 | -76.6 | 173.6 | 176.1 | -176.3 | 0 | 112.8 | K14 H15 L16 G20 | K14-K18 VanDerWaalsContact O-CG 3.32Å; K14-K18 WeakPolarHBondContact O-CG 3.45Å; K14-K18 PolarHBondContact O-N 2.69Å; H15-K18 PolarHBondContact O-N 2.79Å; L16-K18 PolarHBondContact O-N 2.93Å; K18-G20 PolarHBondContact O-N 3.22Å |
| 19 | L | 88.9 | Confident | 91.4 | Very high | 73 Ų | 73 | 73.7 Ų | 73.7 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.1 | 178.2 | -61.9 | 167 | 0 | 0 | 0 | 112.5 | H15 L16 M17 L38 L41 L42 | H15-L19 WeakPolarHBondContact O-CG 3.33Å; H15-L19 PolarHBondContact O-N 2.89Å; L16-L19 CarbonylContact O-C 3.59Å; L16-L19 PolarHBondContact O-N 3.31Å; L16-L19 VanDerWaalsContact O-N 3.13Å; M17-L19 PolarHBondContact O-N 2.7Å; L19-L38 HydrophobicContact CD1-CD1 3.43Å; L19-L38 VanDerWaalsContact CD1-CD1 3.43Å; L19-L41 HydrophobicContact CB-CB 4.46Å; L19-L41 HydrophobicContact CB-CD1 3.98Å; L19-L41 HydrophobicContact CD1-CB 3.73Å; L19-L41 HydrophobicContact CD1-CD1 4.02Å; L19-L42 HydrophobicContact CD1-CD2 4.35Å |
| 20 | G | 88.6 | Confident | 91.4 | Very high | 67 Ų | 67 | 73 Ų | 73 | 69% | 0.691 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 8.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L16 M17 K18 | L16-G20 PolarHBondContact O-N 3.09Å; M17-G20 PolarHBondContact O-N 2.73Å; K18-G20 PolarHBondContact O-N 3.22Å |
| 21 | F | 88 | Confident | 91.4 | Very high | 49 Ų | 49 | 69.7 Ų | 69.7 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | trans | -94.5 | 130.1 | 174.4 | -174.7 | -91.4 | 0 | 0 | 0 | 109.9 | L16 M17 P23 Y34 L41 | L16-F21 CarbonylContact C-O 3.19Å; L16-F21 HydrophobicContact CB-CB 4.37Å; L16-F21 HydrophobicContact CB-CD1 4.08Å; L16-F21 HydrophobicContact CD1-CD1 4.35Å; L16-F21 HydrophobicContact CD2-CD1 4.27Å; L16-F21 HydrophobicContact CG-CD1 4.47Å; L16-F21 PolarHBondContact O-N 3.33Å; L16-F21 VanDerWaalsContact O-O 3.07Å; M17-F21 VanDerWaalsContact CA-O 3.24Å; M17-F21 WeakPolarHBondContact CA-O 3.24Å; M17-F21 PolarHBondContact N-O 3.04Å; F21-P23 HydrophobicContact CD1-CB 4.31Å; F21-P23 HydrophobicContact CD1-CG 3.93Å; F21-P23 HydrophobicContact CE1-CB 4.06Å; F21-P23 HydrophobicContact CE1-CG 4.18Å; F21-P23 VanDerWaalsContact O-CD 3.27Å; F21-P23 WeakPolarHBondContact O-CD 3.27Å; F21-Y34 HydrophobicContact CE1-CD1 4.06Å; F21-Y34 AromaticContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CZ-CE1 4.35Å; F21-L41 HydrophobicContact CB-CD1 4.11Å | ||
| 22 | T | 90.1 | Very high | 91.4 | Very high | 107 Ų | 107 | 72 Ų | 72 | 66% | 0.656 | 40% | 0.402 | S | S | * | . | trans | -102.1 | 98.4 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | M17 | M17-T22 HydrophobicContact CE-CG2 3.82Å; M17-T22 WeakPolarHBondContact CE-OG1 3.34Å; M17-T22 HydrophobicContact SD-CG2 4.49Å | ||
| 23 | P | 90.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.071 | 42% | 0.423 | C | S | . | . | trans | -74.1 | 152.7 | -178.8 | -6 | 24.7 | 0 | 0 | 0 | 111 | H13 L16 F21 Y34 | H13-P23 WeakPolarHBondContact CD2-CG 3.27Å; L16-P23 HydrophobicContact CB-CG 3.64Å; L16-P23 HydrophobicContact CD1-CB 4.24Å; L16-P23 HydrophobicContact CD1-CG 3.7Å; L16-P23 HydrophobicContact CG-CG 4.33Å; F21-P23 HydrophobicContact CD1-CB 4.31Å; F21-P23 HydrophobicContact CD1-CG 3.93Å; F21-P23 HydrophobicContact CE1-CB 4.06Å; F21-P23 HydrophobicContact CE1-CG 4.18Å; F21-P23 VanDerWaalsContact O-CD 3.27Å; F21-P23 WeakPolarHBondContact O-CD 3.27Å; P23-Y34 HydrophobicContact CB-CD1 4.1Å; P23-Y34 HydrophobicContact CB-CE1 3.65Å | ||
| 24 | G | 91.5 | Very high | 91.3 | Very high | 36 Ų | 36 | 73.6 Ų | 73.6 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | trans | -80.7 | -164 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I26 Y34 | G24-I26 PolarHBondContact O-N 3.26Å; G24-Y34 PolarHBondContact N-OH 3.27Å | ||
| 25 | P | 92.6 | Very high | 91.3 | Very high | 103 Ų | 103 | 70.6 Ų | 70.6 | 67% | 0.669 | 40% | 0.401 | S | S | * | . | trans | -58.3 | 132.8 | 176 | 24.6 | -33.1 | 0 | 0 | 0 | 110.9 | L27 | P25-L27 PolarHBondContact O-N 2.87Š| ||
| 26 | I | 93.6 | Very high | 91.2 | Very high | 33 Ų | 33 | 74.5 Ų | 74.5 | 17% | 0.169 | 42% | 0.417 | C | S | . | . | trans | -85.6 | 101.4 | 177 | -59.2 | 178.9 | 0 | 0 | 0 | 108.1 | D9 L12 H13 G24 R31 Y34 | D9-I26 HydrophobicContact CB-CB 4.29Å; D9-I26 HydrophobicContact CB-CD1 4.26Å; D9-I26 HydrophobicContact CB-CG2 4.15Å; D9-I26 WeakPolarHBondContact O-CD1 3.47Å; D9-I26 WeakPolarHBondContact OD1-CG2 3.16Å; L12-I26 HydrophobicContact CB-CD1 4.42Å; L12-I26 HydrophobicContact CD2-CD1 4.47Å; L12-I26 HydrophobicContact CG-CD1 4.47Å; H13-I26 HydrophobicContact CB-CD1 3.78Å; G24-I26 PolarHBondContact O-N 3.26Å; I26-R31 HydrophobicContact CG2-CB 4.14Å; I26-R31 HydrophobicContact CG2-CG 4.29Å; I26-Y34 HydrophobicContact CG1-CD2 3.95Å; I26-Y34 HydrophobicContact CG1-CE2 4Å; I26-Y34 HydrophobicContact CG2-CD2 4.39Å | ||
| 27 | L | 93.8 | Very high | 91.1 | Very high | 94 Ų | 94 | 76.3 Ų | 76.3 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | trans | -99.5 | 155.1 | 172.3 | -62.8 | 169.9 | 0 | 0 | 0 | 109.8 | P25 S29 T30 R31 | P25-L27 PolarHBondContact O-N 2.87Å; L27-S29 PolarHBondContact O-N 2.91Å; L27-S29 VanDerWaalsContact O-N 3.15Å; L27-T30 PolarHBondContact N-OG1 2.97Å; L27-T30 CarbonylContact O-C 3.5Å; L27-T30 WeakPolarHBondContact O-CA 3.34Å; L27-T30 PolarHBondContact O-N 2.79Å; L27-T30 PolarHBondContact O-OG1 3.13Å; L27-R31 PolarHBondContact O-N 2.87Å | ||
| 28 | P | 90.7 | Very high | 91 | Very high | 109 Ų | 109 | 72.7 Ų | 72.7 | 71% | 0.708 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -50.5 | -42 | 176.7 | -27.1 | 34.2 | 0 | 0 | 0 | 113 | T30 R31 | P28-T30 VanDerWaalsContact C-N 3.28Å; P28-T30 PolarHBondContact O-N 3.15Å; P28-R31 PolarHBondContact O-N 3.23Å |
| 29 | S | 88.8 | Confident | 90.9 | Very high | 113 Ų | 113 | 69.5 Ų | 69.5 | 79% | 0.79 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.6 | -31.1 | 178.2 | -40.3 | 0 | 0 | 0 | 0 | 113.2 | L27 | L27-S29 PolarHBondContact O-N 2.91Å; L27-S29 VanDerWaalsContact O-N 3.15Å |
| 30 | T | 92.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -97.4 | -18.5 | -178.2 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | L27 P28 K32 T33 Y34 | L27-T30 PolarHBondContact N-OG1 2.97Å; L27-T30 CarbonylContact O-C 3.5Å; L27-T30 WeakPolarHBondContact O-CA 3.34Å; L27-T30 PolarHBondContact O-N 2.79Å; L27-T30 PolarHBondContact O-OG1 3.13Å; P28-T30 VanDerWaalsContact C-N 3.28Å; P28-T30 PolarHBondContact O-N 3.15Å; T30-K32 VanDerWaalsContact C-N 3.31Å; T30-K32 PolarHBondContact O-N 3.47Å; T30-T33 WeakPolarHBondContact O-CA 3.33Å; T30-T33 VanDerWaalsContact O-CB 3.3Å; T30-T33 WeakPolarHBondContact O-CB 3.3Å; T30-T33 PolarHBondContact O-N 3.09Å; T30-Y34 WeakPolarHBondContact O-CD2 3.25Å; T30-Y34 PolarHBondContact O-N 3.36Å; T30-Y34 VanDerWaalsContact O-N 3.11Å |
| 31 | R | 93.8 | Very high | 90.6 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -54.6 | -48.1 | -177.3 | -174.3 | -174.2 | -79.4 | 173.5 | -1.9 | 110.8 | D9 L12 I26 L27 P28 T33 Y34 E35 | D9-R31 IonicContact OD1-CZ 3.05Å; D9-R31 IonicContact OD1-NE 2.69Å; D9-R31 PolarHBondContact OD1-NE 3.36Å; D9-R31 IonicContact OD1-NH2 2.73Å; D9-R31 PolarHBondContact OD1-NH2 3.1Å; D9-R31 IonicContact OD2-CZ 3.77Å; D9-R31 IonicContact OD2-NH2 2.7Å; D9-R31 PolarHBondContact OD2-NH2 3.41Å; L12-R31 HydrophobicContact CD2-CG 4.1Å; I26-R31 HydrophobicContact CG2-CB 4.14Å; I26-R31 HydrophobicContact CG2-CG 4.29Å; L27-R31 PolarHBondContact O-N 2.87Å; P28-R31 PolarHBondContact O-N 3.23Å; R31-T33 PolarHBondContact O-N 3.34Å; R31-Y34 PolarHBondContact O-N 3.25Å; R31-E35 HydrophobicContact CG-CG 4.45Å; R31-E35 WeakPolarHBondContact CG-OE1 3.5Å; R31-E35 WeakPolarHBondContact O-CG 3.46Å; R31-E35 PolarHBondContact O-N 3.39Å |
| 32 | K | 92.1 | Very high | 90.4 | Very high | 137 Ų | 137 | 69.5 Ų | 69.5 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58 | -32.4 | 177 | -168.1 | 173.3 | -172.8 | 174.5 | 0 | 113.4 | T30 K36 | T30-K32 VanDerWaalsContact C-N 3.31Å; T30-K32 PolarHBondContact O-N 3.47Å; K32-K36 WeakPolarHBondContact O-CG 3.43Å; K32-K36 PolarHBondContact O-N 3.19Å |
| 33 | T | 91.8 | Very high | 90 | Very high | 73 Ų | 73 | 68.3 Ų | 68.3 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.4 | -49 | 175 | -61.3 | 0 | 0 | 0 | 0 | 110 | T30 R31 E35 K36 K37 | T30-T33 WeakPolarHBondContact O-CA 3.33Å; T30-T33 VanDerWaalsContact O-CB 3.3Å; T30-T33 WeakPolarHBondContact O-CB 3.3Å; T30-T33 PolarHBondContact O-N 3.09Å; R31-T33 PolarHBondContact O-N 3.34Å; T33-E35 PolarHBondContact O-N 3.09Å; T33-K36 WeakPolarHBondContact O-CB 3.45Å; T33-K36 PolarHBondContact O-N 2.92Å; T33-K37 HydrophobicContact CG2-CG 4.43Å; T33-K37 VanDerWaalsContact O-CG 3.28Å; T33-K37 WeakPolarHBondContact O-CG 3.38Å; T33-K37 PolarHBondContact O-N 3.11Å |
| 34 | Y | 93.3 | Very high | 89.2 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 11% | 0.114 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | -179.9 | -70.6 | -49.6 | 0 | 0 | 0 | 113.4 | L16 F21 P23 G24 I26 T30 R31 K36 K37 L38 | L16-Y34 HydrophobicContact CD1-CD1 3.77Å; L16-Y34 HydrophobicContact CD1-CG 4.02Å; F21-Y34 HydrophobicContact CE1-CD1 4.06Å; F21-Y34 AromaticContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CZ-CE1 4.35Å; P23-Y34 HydrophobicContact CB-CD1 4.1Å; P23-Y34 HydrophobicContact CB-CE1 3.65Å; G24-Y34 PolarHBondContact N-OH 3.27Å; I26-Y34 HydrophobicContact CG1-CD2 3.95Å; I26-Y34 HydrophobicContact CG1-CE2 4Å; I26-Y34 HydrophobicContact CG2-CD2 4.39Å; T30-Y34 WeakPolarHBondContact O-CD2 3.25Å; T30-Y34 PolarHBondContact O-N 3.36Å; T30-Y34 VanDerWaalsContact O-N 3.11Å; R31-Y34 PolarHBondContact O-N 3.25Å; Y34-K36 PolarHBondContact O-N 3.37Å; Y34-K37 WeakPolarHBondContact O-CB 3.28Å; Y34-K37 PolarHBondContact O-N 3.31Å; Y34-L38 PolarHBondContact O-N 3.26Å |
| 35 | E | 91.9 | Very high | 87.8 | Confident | 38 Ų | 38 | 75.1 Ų | 75.1 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 172.5 | -67.8 | 172.8 | -164.4 | 0 | 0 | 111.6 | V4 L12 R31 T33 K37 L38 V39 | V4-E35 HydrophobicContact CG1-CB 3.59Å; V4-E35 HydrophobicContact CG1-CG 3.8Å; L12-E35 HydrophobicContact CD2-CG 4.05Å; R31-E35 HydrophobicContact CG-CG 4.45Å; R31-E35 WeakPolarHBondContact CG-OE1 3.5Å; R31-E35 WeakPolarHBondContact O-CG 3.46Å; R31-E35 PolarHBondContact O-N 3.39Å; T33-E35 PolarHBondContact O-N 3.09Å; E35-K37 VanDerWaalsContact C-N 3.31Å; E35-K37 PolarHBondContact O-N 3.46Å; E35-L38 WeakPolarHBondContact O-CB 3.47Å; E35-L38 PolarHBondContact O-N 2.91Å; E35-L38 VanDerWaalsContact O-N 3.17Å; E35-V39 WeakPolarHBondContact O-CG2 3.5Å; E35-V39 PolarHBondContact O-N 3.23Å |
| 36 | K | 89.7 | Confident | 85.9 | Confident | 135 Ų | 135 | 73.9 Ų | 73.9 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.2 | -40.1 | 176.4 | -71.6 | 176.6 | 175.8 | -171 | 0 | 111.9 | K32 T33 Y34 L38 V39 Q40 | K32-K36 WeakPolarHBondContact O-CG 3.43Å; K32-K36 PolarHBondContact O-N 3.19Å; T33-K36 WeakPolarHBondContact O-CB 3.45Å; T33-K36 PolarHBondContact O-N 2.92Å; Y34-K36 PolarHBondContact O-N 3.37Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-V39 PolarHBondContact O-N 2.94Å; K36-Q40 VanDerWaalsContact O-CB 3.3Å; K36-Q40 WeakPolarHBondContact O-CB 3.49Å; K36-Q40 PolarHBondContact O-N 3.18Å |
| 37 | K | 88.6 | Confident | 83.9 | Confident | 38 Ų | 38 | 77 Ų | 77 | 17% | 0.165 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.8 | -61.9 | -67.1 | 176.1 | -171.8 | 0 | 110.8 | L16 T33 Y34 E35 Q40 L41 W47 | L16-K37 HydrophobicContact CD2-CB 4.12Å; T33-K37 HydrophobicContact CG2-CG 4.43Å; T33-K37 VanDerWaalsContact O-CG 3.28Å; T33-K37 WeakPolarHBondContact O-CG 3.38Å; T33-K37 PolarHBondContact O-N 3.11Å; Y34-K37 WeakPolarHBondContact O-CB 3.28Å; Y34-K37 PolarHBondContact O-N 3.31Å; E35-K37 VanDerWaalsContact C-N 3.31Å; E35-K37 PolarHBondContact O-N 3.46Å; K37-Q40 PolarHBondContact O-N 3.35Å; K37-L41 WeakPolarHBondContact O-CB 3.47Å; K37-L41 VanDerWaalsContact O-CG 3.25Å; K37-L41 WeakPolarHBondContact O-CG 3.45Å; K37-L41 PolarHBondContact O-N 2.89Å; K37-W47 HydrophobicContact CD-CH2 3.04Å; K37-W47 HydrophobicContact CD-CZ2 3.7Å; K37-W47 HydrophobicContact CD-CZ3 3.57Å; K37-W47 HydrophobicContact CG-CH2 4.45Å |
| 38 | L | 89.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 178.2 | -179.3 | 58.6 | 0 | 0 | 0 | 111.2 | V4 L7 L12 H15 L16 L19 Y34 E35 K36 Q40 L41 L42 | V4-L38 HydrophobicContact CG1-CB 4.42Å; V4-L38 HydrophobicContact CG1-CD2 4.04Å; V4-L38 HydrophobicContact CG2-CD2 4.28Å; L7-L38 HydrophobicContact CD1-CD2 3.72Å; L12-L38 HydrophobicContact CD1-CB 4.17Å; L12-L38 HydrophobicContact CD1-CD2 3.82Å; H15-L38 HydrophobicContact CB-CD1 3.77Å; H15-L38 HydrophobicContact CB-CD2 4Å; L16-L38 HydrophobicContact CD2-CB 4.03Å; L16-L38 HydrophobicContact CD2-CD1 4.47Å; L19-L38 HydrophobicContact CD1-CD1 3.43Å; L19-L38 VanDerWaalsContact CD1-CD1 3.43Å; Y34-L38 PolarHBondContact O-N 3.26Å; E35-L38 WeakPolarHBondContact O-CB 3.47Å; E35-L38 PolarHBondContact O-N 2.91Å; E35-L38 VanDerWaalsContact O-N 3.17Å; K36-L38 VanDerWaalsContact C-N 3.33Å; L38-Q40 VanDerWaalsContact C-N 3.28Å; L38-Q40 PolarHBondContact O-N 3.17Å; L38-L41 PolarHBondContact O-N 3.5Å; L38-L42 HydrophobicContact CD1-CD1 4.09Å; L38-L42 HydrophobicContact CD1-CG 4.2Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 3.2Å |
| 39 | V | 88.8 | Confident | 80.5 | Confident | 78 Ų | 78 | 79 Ų | 79 | 47% | 0.473 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | V4 E35 K36 L42 A43 | V4-V39 HydrophobicContact CB-CG2 4.4Å; V4-V39 HydrophobicContact CG2-CG2 3.75Å; E35-V39 WeakPolarHBondContact O-CG2 3.5Å; E35-V39 PolarHBondContact O-N 3.23Å; K36-V39 PolarHBondContact O-N 2.94Å; V39-L42 PolarHBondContact O-N 3.35Å; V39-A43 VanDerWaalsContact O-CB 3.27Å; V39-A43 WeakPolarHBondContact O-CB 3.26Å; V39-A43 PolarHBondContact O-N 3.4Å |
| 40 | Q | 86.3 | Confident | 78.7 | Confident | 67 Ų | 67 | 76.5 Ų | 76.5 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | -178.3 | -162 | -178.2 | -20.7 | 0 | 0 | 112.3 | K36 K37 L38 A43 S44 W47 K48 | K36-Q40 VanDerWaalsContact O-CB 3.3Å; K36-Q40 WeakPolarHBondContact O-CB 3.49Å; K36-Q40 PolarHBondContact O-N 3.18Å; K37-Q40 PolarHBondContact O-N 3.35Å; L38-Q40 VanDerWaalsContact C-N 3.28Å; L38-Q40 PolarHBondContact O-N 3.17Å; Q40-A43 PolarHBondContact O-N 2.97Å; Q40-S44 PolarHBondContact O-N 3.43Å; Q40-W47 HydrophobicContact CG-CZ3 4.44Å; Q40-K48 PolarHBondContact NE2-O 3.03Å |
| 41 | L | 85.4 | Confident | 76.5 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 12% | 0.12 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68 | -34.6 | 177.1 | -70.4 | 168.1 | 0 | 0 | 0 | 112.4 | L16 L19 F21 K37 L38 W47 | L16-L41 HydrophobicContact CD2-CD1 3.92Å; L19-L41 HydrophobicContact CB-CB 4.46Å; L19-L41 HydrophobicContact CB-CD1 3.98Å; L19-L41 HydrophobicContact CD1-CB 3.73Å; L19-L41 HydrophobicContact CD1-CD1 4.02Å; F21-L41 HydrophobicContact CB-CD1 4.11Å; K37-L41 WeakPolarHBondContact O-CB 3.47Å; K37-L41 VanDerWaalsContact O-CG 3.25Å; K37-L41 WeakPolarHBondContact O-CG 3.45Å; K37-L41 PolarHBondContact O-N 2.89Å; L38-L41 PolarHBondContact O-N 3.5Å; L41-W47 HydrophobicContact CD2-CB 4.21Å; L41-W47 HydrophobicContact CD2-CD2 4.39Å; L41-W47 HydrophobicContact CD2-CE3 3.81Å; L41-W47 HydrophobicContact CG-CE3 4.29Å |
| 42 | L | 84.4 | Confident | 74.1 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.9 | -32.2 | 174.5 | -67.8 | 172.5 | 0 | 0 | 0 | 112.3 | L19 L38 V39 | L19-L42 HydrophobicContact CD1-CD2 4.35Å; L38-L42 HydrophobicContact CD1-CD1 4.09Å; L38-L42 HydrophobicContact CD1-CG 4.2Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 3.2Å; V39-L42 PolarHBondContact O-N 3.35Å |
| 43 | A | 81.2 | Confident | 72.2 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -83.5 | -31.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V39 Q40 | V39-A43 VanDerWaalsContact O-CB 3.27Å; V39-A43 WeakPolarHBondContact O-CB 3.26Å; V39-A43 PolarHBondContact O-N 3.4Å; Q40-A43 PolarHBondContact O-N 2.97Å |
| 44 | S | 73.7 | Confident | 70.2 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | trans | -150.5 | 117.2 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | Q40 P46 | Q40-S44 PolarHBondContact O-N 3.43Å; S44-P46 WeakPolarHBondContact OG-CD 3.3Å | ||
| 45 | P | 60.6 | Low | 68.1 | Low | 125 Ų | 125 | 98.3 Ų | 98.3 | 81% | 0.812 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -87.8 | 74.5 | 171.8 | 33.2 | -28.5 | 0 | 0 | 0 | 108.9 | ||
| 46 | P | 54.4 | Low | 65.7 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | S | Bend | -142 | 135.3 | 106.8 | 28.7 | -10.9 | 0 | 0 | 0 | 112.1 | S44 K48 | S44-P46 WeakPolarHBondContact OG-CD 3.3Å; P46-K48 VanDerWaalsContact C-N 3.33Å; P46-K48 PolarHBondContact O-N 2.95Å | |
| 47 | W | 51.1 | Low | 63.6 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 37% | 0.367 | 56% | 0.559 | S | S | . | * | trans | -64 | 88.4 | 175.1 | -177.3 | -116.1 | 0 | 0 | 0 | 111.1 | K37 Q40 L41 P49 P50 | K37-W47 HydrophobicContact CD-CH2 3.04Å; K37-W47 HydrophobicContact CD-CZ2 3.7Å; K37-W47 HydrophobicContact CD-CZ3 3.57Å; K37-W47 HydrophobicContact CG-CH2 4.45Å; Q40-W47 HydrophobicContact CG-CZ3 4.44Å; L41-W47 HydrophobicContact CD2-CB 4.21Å; L41-W47 HydrophobicContact CD2-CD2 4.39Å; L41-W47 HydrophobicContact CD2-CE3 3.81Å; L41-W47 HydrophobicContact CG-CE3 4.29Å; W47-P49 HydrophobicContact CZ2-CB 4.41Å; W47-P50 HydrophobicContact CH2-CG 4.48Å | ||
| 48 | K | 56.3 | Low | 61.8 | Low | 154 Ų | 154 | 110.9 Ų | 110.9 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | trans | -91 | 116.8 | 161.2 | -59.1 | -168.5 | -175.4 | -175.2 | 0 | 106.4 | Q40 P46 P50 | Q40-K48 PolarHBondContact NE2-O 3.03Å; P46-K48 VanDerWaalsContact C-N 3.33Å; P46-K48 PolarHBondContact O-N 2.95Å; K48-P50 WeakPolarHBondContact O-CD 3.38Å; K48-P50 VanDerWaalsContact O-N 3.11Å | ||
| 49 | P | 55.3 | Low | 59.8 | Low | 92 Ų | 92 | 119.6 Ų | 119.6 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | trans | -53.9 | 125.9 | 173.8 | 21.3 | -29.5 | 0 | 0 | 0 | 107.2 | W47 V51 | W47-P49 HydrophobicContact CZ2-CB 4.41Å; P49-V51 VanDerWaalsContact C-N 3.34Å; P49-V51 PolarHBondContact O-N 3Å | ||
| 50 | P | 52.2 | Low | 57.6 | Low | 61 Ų | 61 | 119 Ų | 119 | 40% | 0.396 | 64% | 0.642 | S | S | . | * | trans | -61.9 | 106.5 | 173.9 | 24.1 | -30.2 | 0 | 0 | 0 | 105.8 | W47 K48 M52 | W47-P50 HydrophobicContact CH2-CG 4.48Å; K48-P50 WeakPolarHBondContact O-CD 3.38Å; K48-P50 VanDerWaalsContact O-N 3.11Å; P50-M52 VanDerWaalsContact C-N 3.33Å; P50-M52 PolarHBondContact O-N 3.34Å | ||
| 51 | V | 45.6 | Very low | 56.2 | Low | 121 Ų | 121 | 120.1 Ų | 120.1 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | trans | -48.4 | 109.9 | 154.4 | -104.1 | 0 | 0 | 0 | 0 | 104.2 | P49 K53 | P49-V51 VanDerWaalsContact C-N 3.34Å; P49-V51 PolarHBondContact O-N 3Å; V51-K53 PolarHBondContact O-N 3.04Å | ||
| 52 | M | 44.5 | Very low | 54.5 | Low | 187 Ų | 187 | 127.8 Ų | 127.8 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -60.8 | 90.5 | 172.7 | -72.2 | 170.2 | 98.2 | 0 | 0 | 105.6 | P50 R54 | P50-M52 VanDerWaalsContact C-N 3.33Å; P50-M52 PolarHBondContact O-N 3.34Å; M52-R54 PolarHBondContact O-N 3.33Å; M52-R54 VanDerWaalsContact O-N 3.08Å | ||
| 53 | K | 50.3 | Low | 53.1 | Low | 184 Ų | 184 | 129.6 Ų | 129.6 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | -61.6 | 113.5 | 155.1 | -47.9 | -156 | -176.4 | -159.4 | 0 | 102.9 | V51 | V51-K53 PolarHBondContact O-N 3.04Š| ||
| 54 | R | 51.6 | Low | 51.7 | Low | 220 Ų | 220 | 130 Ų | 130 | 83% | 0.83 | 70% | 0.7 | S | S | * | * | trans | -36.8 | 144.5 | 177.5 | -133.6 | 175.9 | -171.1 | 167.9 | 0.9 | 109.3 | M52 T56 | M52-R54 PolarHBondContact O-N 3.33Å; M52-R54 VanDerWaalsContact O-N 3.08Å; R54-T56 PolarHBondContact O-N 3.37Å | ||
| 55 | P | 48.8 | Very low | 50.8 | Low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -58.4 | 98.7 | -179.9 | -17 | 28.8 | 0 | 0 | 0 | 110.1 | R57 | P55-R57 VanDerWaalsContact C-N 3.34Å; P55-R57 PolarHBondContact O-N 3.28Å | ||
| 56 | T | 40.5 | Very low | 51 | Low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -70.7 | 102.3 | 163.1 | -62.2 | 0 | 0 | 0 | 0 | 105.4 | R54 P58 | R54-T56 PolarHBondContact O-N 3.37Å; T56-P58 WeakPolarHBondContact O-CD 3.27Å | ||
| 57 | R | 46.2 | Very low | 51.2 | Low | 214 Ų | 214 | 136 Ų | 136 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | trans | -49.7 | 124.4 | 164.1 | -60.1 | 179 | 173 | -157.5 | -1.4 | 107.3 | P55 H59 | P55-R57 VanDerWaalsContact C-N 3.34Å; P55-R57 PolarHBondContact O-N 3.28Å; R57-H59 PolarHBondContact O-N 2.79Å; R57-H59 VanDerWaalsContact O-N 3.1Å | ||
| 58 | P | 51 | Low | 51.4 | Low | 132 Ų | 132 | 139.2 Ų | 139.2 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -85.9 | 69.6 | 164.4 | 33.4 | -27 | 0 | 0 | 0 | 107 | T56 | T56-P58 WeakPolarHBondContact O-CD 3.27Š|
| 59 | H | 47.7 | Very low | 51.8 | Low | 183 Ų | 183 | 138.6 Ų | 138.6 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -164.3 | 125.6 | 159.8 | -157.7 | 16.1 | 0 | 0 | 0 | 111 | R57 | R57-H59 PolarHBondContact O-N 2.79Å; R57-H59 VanDerWaalsContact O-N 3.1Å | ||
| 60 | G | 42.8 | Very low | 51.8 | Low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | 123.8 | 111.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 61 | S | 57.3 | Low | 52.3 | Low | 91 Ų | 91 | 139.6 Ų | 139.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -56.4 | 159.4 | 170.4 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 62 | E | 49.1 | Very low | 53 | Low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 64.5 | 146.9 | 151.6 | -61.1 | 149.9 | 131 | 0 | 0 | 116.4 | ||||
| 63 | D | 55.8 | Low | 54 | Low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | cis | -174.3 | 156.6 | -13.7 | 165.8 | 54 | 0 | 0 | 0 | 103 | ||||
| 64 | S | 52.1 | Low | 54.6 | Low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | 76 | 136.3 | 160.5 | -70.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 65 | D | 54.5 | Low | 55.2 | Low | 160 Ų | 160 | 133.5 Ų | 133.5 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | 109.6 | 125.9 | 144.2 | -107.4 | -63.9 | 0 | 0 | 0 | 121.3 | ||||
| 66 | D | 63.8 | Low | 55.6 | Low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 142 | -171.1 | 174 | 58.6 | 0 | 0 | 0 | 112.1 | ||||
| 67 | S | 58 | Low | 56.6 | Low | 84 Ų | 84 | 137.7 Ų | 137.7 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | trans | 166.4 | 107.4 | 154.5 | 169.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 68 | E | 55.9 | Low | 57.3 | Low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 54.7 | 118.6 | 145.6 | 69.9 | -145.6 | 68.1 | 0 | 0 | 124.6 | P70 | E68-P70 WeakPolarHBondContact O-CD 3.4Š| ||
| 69 | D | 65.6 | Low | 58 | Low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -57.7 | 132.8 | 157.8 | 177.9 | -94.6 | 0 | 0 | 0 | 111.8 | A71 | D69-A71 VanDerWaalsContact CG-N 3.32Å; D69-A71 WeakPolarHBondContact OD1-CB 3.33Å; D69-A71 PolarHBondContact OD1-N 3.47Å | ||
| 70 | P | 55.3 | Low | 58.9 | Low | 100 Ų | 100 | 127.2 Ų | 127.2 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | trans | -119.2 | 96 | 142.7 | 33.9 | -24.9 | 0 | 0 | 0 | 108.2 | E68 I72 | E68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-I72 HydrophobicContact CB-CG1 4.12Å; P70-I72 WeakPolarHBondContact O-CG1 3.47Å; P70-I72 PolarHBondContact O-N 2.95Å | ||
| 71 | A | 61.3 | Low | 60.4 | Low | 74 Ų | 74 | 133.8 Ų | 133.8 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | trans | -58.8 | 83.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D69 K73 | D69-A71 VanDerWaalsContact CG-N 3.32Å; D69-A71 WeakPolarHBondContact OD1-CB 3.33Å; D69-A71 PolarHBondContact OD1-N 3.47Å; A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 3.45Å | ||
| 72 | I | 60.3 | Low | 60.3 | Low | 133 Ų | 133 | 138.1 Ų | 138.1 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | trans | -70.7 | 91.1 | 177.2 | -51.7 | -175.2 | 0 | 0 | 0 | 108.2 | P70 I74 | P70-I72 HydrophobicContact CB-CG1 4.12Å; P70-I72 WeakPolarHBondContact O-CG1 3.47Å; P70-I72 PolarHBondContact O-N 2.95Å; I72-I74 HydrophobicContact CG2-CG1 3.8Å; I72-I74 PolarHBondContact O-N 3.02Å; I72-I74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | K | 65.6 | Low | 60.4 | Low | 177 Ų | 177 | 134.7 Ų | 134.7 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -82.4 | 83.7 | 176.2 | -149.6 | 167.8 | -160.7 | -81.9 | 0 | 108.8 | A71 I75 | A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 3.45Å; K73-I75 PolarHBondContact O-N 3.34Å | ||
| 74 | I | 63.4 | Low | 61 | Low | 140 Ų | 140 | 136.8 Ų | 136.8 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -74.8 | 95.8 | 179.5 | -31.1 | 168.6 | 0 | 0 | 0 | 108.9 | I72 L76 | I72-I74 HydrophobicContact CG2-CG1 3.8Å; I72-I74 PolarHBondContact O-N 3.02Å; I72-I74 VanDerWaalsContact O-N 3.15Å; I74-L76 PolarHBondContact O-N 2.91Å | ||
| 75 | I | 65.2 | Low | 61.5 | Low | 134 Ų | 134 | 139.6 Ų | 139.6 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | -83.9 | 100.8 | 176.3 | -58 | -177.6 | 0 | 0 | 0 | 108.7 | K73 K77 | K73-I75 PolarHBondContact O-N 3.34Å; I75-K77 PolarHBondContact O-N 3.14Å; I75-K77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | L | 56.2 | Low | 61.6 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | -82.7 | 84.8 | 176.3 | -138.3 | 89.3 | 0 | 0 | 0 | 110 | I74 G78 I80 | I74-L76 PolarHBondContact O-N 2.91Å; L76-G78 PolarHBondContact O-N 3.32Å; L76-I80 HydrophobicContact CD2-CD1 3.56Å | ||
| 77 | K | 60.5 | Low | 61.2 | Low | 208 Ų | 208 | 136.8 Ų | 136.8 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | -90.8 | 75.6 | 171 | -165.7 | 167.3 | 177 | -178.6 | 0 | 109.4 | I75 | I75-K77 PolarHBondContact O-N 3.14Å; I75-K77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | G | 61.7 | Low | 61.4 | Low | 42 Ų | 42 | 142.1 Ų | 142.1 | 43% | 0.433 | 74% | 0.739 | S | S | . | * | trans | -153.3 | 121.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | L76 I80 | L76-G78 PolarHBondContact O-N 3.32Å; G78-I80 PolarHBondContact O-N 2.84Å | ||
| 79 | N | 65.4 | Low | 61.4 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | trans | -71.1 | 77 | 169.8 | 36 | -5.7 | 0 | 0 | 0 | 109.7 | K81 | N79-K81 PolarHBondContact O-N 2.94Š| ||
| 80 | I | 67.3 | Low | 60.8 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 51% | 0.508 | 74% | 0.739 | S | S | . | * | trans | -69.7 | 111.8 | 178.4 | -60.1 | 168.3 | 0 | 0 | 0 | 108.9 | L76 G78 F82 | L76-I80 HydrophobicContact CD2-CD1 3.56Å; G78-I80 PolarHBondContact O-N 2.84Å; I80-F82 HydrophobicContact CB-CE2 4.23Å; I80-F82 HydrophobicContact CG2-CD2 4.01Å; I80-F82 HydrophobicContact CG2-CE1 4.32Å; I80-F82 HydrophobicContact CG2-CE2 3.76Å; I80-F82 HydrophobicContact CG2-CG 4.4Å; I80-F82 HydrophobicContact CG2-CZ 3.93Å; I80-F82 PolarHBondContact O-N 3.15Å | ||
| 81 | K | 74.3 | Confident | 60.9 | Low | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -87.1 | 95 | 173.8 | -149.7 | 175.8 | -174.7 | -123.7 | 0 | 108.6 | N79 S83 | N79-K81 PolarHBondContact O-N 2.94Å; K81-S83 PolarHBondContact O-N 3.05Å | ||
| 82 | F | 54.7 | Low | 60.8 | Low | 181 Ų | 181 | 146.8 Ų | 146.8 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -64.7 | 116.8 | 174.5 | -72.9 | -84.8 | 0 | 0 | 0 | 110.3 | I80 | I80-F82 HydrophobicContact CB-CE2 4.23Å; I80-F82 HydrophobicContact CG2-CD2 4.01Å; I80-F82 HydrophobicContact CG2-CE1 4.32Å; I80-F82 HydrophobicContact CG2-CE2 3.76Å; I80-F82 HydrophobicContact CG2-CG 4.4Å; I80-F82 HydrophobicContact CG2-CZ 3.93Å; I80-F82 PolarHBondContact O-N 3.15Å | ||
| 83 | S | 52 | Low | 60.5 | Low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -76.3 | 121 | 171.3 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | K81 N85 | K81-S83 PolarHBondContact O-N 3.05Å; S83-N85 PolarHBondContact O-N 3.08Å; S83-N85 VanDerWaalsContact O-N 3.1Å | ||
| 84 | K | 68.3 | Low | 59.8 | Low | 181 Ų | 181 | 143.6 Ų | 143.6 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | -76.1 | 92 | -179.6 | -172.1 | 165.6 | -176.2 | 159.5 | 0 | 109.5 | K86 | K84-K86 PolarHBondContact O-N 2.75Å; K84-K86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | N | 61.4 | Low | 59 | Low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 104.5 | 169 | 53.3 | 39.1 | 0 | 0 | 0 | 110 | S83 G87 | S83-N85 PolarHBondContact O-N 3.08Å; S83-N85 VanDerWaalsContact O-N 3.1Å; N85-G87 PolarHBondContact O-N 2.71Å | ||
| 86 | K | 58.2 | Low | 58.8 | Low | 171 Ų | 171 | 145.2 Ų | 145.2 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -80.2 | 86.8 | 165.9 | -84.4 | -91.6 | -170.5 | 168.7 | 0 | 107.6 | K84 K88 | K84-K86 PolarHBondContact O-N 2.75Å; K84-K86 VanDerWaalsContact O-N 3.16Å; K86-K88 PolarHBondContact O-N 2.84Å | ||
| 87 | G | 53.9 | Low | 58.8 | Low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -61 | 107.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N85 | N85-G87 PolarHBondContact O-N 2.71Š| ||
| 88 | K | 62.5 | Low | 58.3 | Low | 197 Ų | 197 | 145.4 Ų | 145.4 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -77.4 | 133.6 | 171.8 | -68.2 | -178.4 | 179.2 | 176.9 | 0 | 108.5 | K86 G90 | K86-K88 PolarHBondContact O-N 2.84Å; K88-G90 PolarHBondContact O-N 2.77Å; K88-G90 VanDerWaalsContact O-N 3.17Å | ||
| 89 | E | 56.5 | Low | 57.8 | Low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -48.3 | 110 | 171.1 | -176.7 | -170.7 | 116.7 | 0 | 0 | 111.4 | K91 | E89-K91 PolarHBondContact O-N 3.04Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å | ||
| 90 | G | 53.5 | Low | 57.5 | Low | 77 Ų | 77 | 150.2 Ų | 150.2 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 103.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | K88 K92 | K88-G90 PolarHBondContact O-N 2.77Å; K88-G90 VanDerWaalsContact O-N 3.17Å; G90-K92 PolarHBondContact O-N 3.1Å | ||
| 91 | K | 55.6 | Low | 56.9 | Low | 158 Ų | 158 | 155.8 Ų | 155.8 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | trans | -72.1 | 113.4 | 173.7 | -70.9 | 175.4 | 177.2 | 175.8 | 0 | 110.7 | E89 | E89-K91 PolarHBondContact O-N 3.04Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å | ||
| 92 | K | 60.7 | Low | 56.1 | Low | 186 Ų | 186 | 153.4 Ų | 153.4 | 81% | 0.809 | 82% | 0.817 | S | S | * | * | trans | 21.6 | 119.2 | 141.3 | 47 | -176 | 172.4 | -178.4 | 0 | 119.2 | G90 | G90-K92 PolarHBondContact O-N 3.1Š| ||
| 93 | V | 53.5 | Low | 56.1 | Low | 143 Ų | 143 | 151.9 Ų | 151.9 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -146.1 | 122.1 | 134.1 | -141.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 94 | C | 50.2 | Low | 56.4 | Low | 100 Ų | 100 | 154.1 Ų | 154.1 | 68% | 0.676 | 82% | 0.82 | S | S | * | * | trans | -85.1 | 116.1 | 170.9 | 171.5 | 0 | 0 | 0 | 0 | 107.6 | K96 | C94-K96 VanDerWaalsContact C-N 3.3Å; C94-K96 PolarHBondContact O-N 2.77Å | ||
| 95 | C | 48.1 | Very low | 55.7 | Low | 128 Ų | 128 | 152.5 Ų | 152.5 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -72 | 89 | 172.1 | -44.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 96 | K | 61.4 | Low | 55.3 | Low | 180 Ų | 180 | 152.8 Ų | 152.8 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -103.5 | 97.8 | 165.8 | -114.8 | 170 | 170.6 | 169.7 | 0 | 107.1 | C94 | C94-K96 VanDerWaalsContact C-N 3.3Å; C94-K96 PolarHBondContact O-N 2.77Å | ||
| 97 | T | 55.9 | Low | 55.1 | Low | 142 Ų | 142 | 151.5 Ų | 151.5 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | trans | -127.8 | 122.4 | 156.2 | 47.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 98 | K | 48.3 | Very low | 55.2 | Low | 199 Ų | 199 | 156.8 Ų | 156.8 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -75.9 | 148.6 | -170.6 | -63.7 | 177.1 | 173.3 | 172.4 | 0 | 110.5 | ||||
| 99 | S | 52.2 | Low | 54.7 | Low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -64 | 138 | 156.8 | -42.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 100 | K | 58.6 | Low | 54.5 | Low | 193 Ų | 193 | 153.4 Ų | 153.4 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | 157.6 | 133.4 | 158.7 | -98.7 | -166.9 | 158.8 | -165.9 | 0 | 106.7 | ||||
| 101 | D | 56 | Low | 54.6 | Low | 216 Ų | 216 | 160.4 Ų | 160.4 | 100% | 1.155 | 84% | 0.841 | S | S | * | * | cis | -141.8 | 0 | 6.3 | -120.1 | -104 | 0 | 0 | 0 | 105.9 |
Retrieved 101 of 101 residues in 132.7 ms
(Link to these results)