| 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 | 64.8 | Low | 81.9 | Confident | 243 Ų | 243 | 99.8 Ų | 99.8 | 100% | 1.197 | 51% | 0.51 | S | S | * | . | 0 | 129.3 | 0 | -114.4 | 153.7 | 66.2 | 0 | 0 | 107.3 | D3 | M1-D3 PolarHBondContact O-N 3.23Š| |||
| 2 | V | 69.1 | Low | 82.6 | Confident | 85 Ų | 85 | 91.8 Ų | 91.8 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | trans | -71.1 | 122.4 | 176 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | V4 L7 | V2-V4 PolarHBondContact O-N 3.41Å; V2-V4 VanDerWaalsContact O-N 3.14Å; V2-L7 HydrophobicContact CG1-CD1 3.91Å | ||
| 3 | D | 81 | Confident | 83.3 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | trans | -75.6 | 102.4 | 175.5 | -175.7 | 4.2 | 0 | 0 | 0 | 109.3 | M1 K5 C6 L7 | M1-D3 PolarHBondContact O-N 3.23Å; D3-K5 PolarHBondContact O-N 3.22Å; D3-K5 PolarHBondContact OD1-N 3.34Å; D3-C6 HydrophobicContact CB-CB 4.45Å; D3-C6 PolarHBondContact O-N 2.87Å; D3-C6 PolarHBondContact OD2-SG 2.82Å; D3-L7 WeakPolarHBondContact O-CD1 2.89Å | ||
| 4 | V | 78.4 | Confident | 83.7 | Confident | 18 Ų | 18 | 92.3 Ų | 92.3 | 11% | 0.109 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.6 | -171.6 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | V2 L7 E35 L38 V39 | V2-V4 PolarHBondContact O-N 3.41Å; V2-V4 VanDerWaalsContact O-N 3.14Å; V4-L7 VanDerWaalsContact CA-CD1 3.41Å; V4-L7 HydrophobicContact CB-CD1 4.46Å; V4-L7 WeakPolarHBondContact O-CD1 3.03Å; V4-E35 HydrophobicContact CG1-CB 3.59Å; V4-E35 HydrophobicContact CG1-CG 3.82Å; V4-L38 HydrophobicContact CG1-CB 4.47Å; V4-L38 HydrophobicContact CG1-CD2 4.19Å; V4-L38 HydrophobicContact CG2-CD2 4.43Å; V4-V39 HydrophobicContact CB-CG2 4.08Å; V4-V39 HydrophobicContact CG1-CG2 4.13Å; V4-V39 HydrophobicContact CG2-CG2 3.65Å |
| 5 | K | 80.8 | Confident | 84.2 | Confident | 166 Ų | 166 | 90.7 Ų | 90.7 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -19.3 | -178.2 | -69.4 | 178.9 | -180 | 174.4 | 0 | 114 | D3 | D3-K5 PolarHBondContact O-N 3.22Å; D3-K5 PolarHBondContact OD1-N 3.34Å |
| 6 | C | 81.1 | Confident | 84.6 | Confident | 99 Ų | 99 | 85 Ų | 85 | 67% | 0.669 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -96.3 | 0.5 | -178.5 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | D3 | D3-C6 HydrophobicContact CB-CB 4.45Å; D3-C6 PolarHBondContact O-N 2.87Å; D3-C6 PolarHBondContact OD2-SG 2.82Å |
| 7 | L | 84.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -72.3 | 142.2 | 173.5 | -70.9 | 106.7 | 0 | 0 | 0 | 110.6 | V2 D3 V4 E11 | V2-L7 HydrophobicContact CG1-CD1 3.91Å; D3-L7 WeakPolarHBondContact O-CD1 2.89Å; V4-L7 VanDerWaalsContact CA-CD1 3.41Å; V4-L7 HydrophobicContact CB-CD1 4.46Å; V4-L7 WeakPolarHBondContact O-CD1 3.03Å; L7-E11 HydrophobicContact CB-CB 4.23Å; L7-E11 HydrophobicContact CD2-CB 3.71Å; L7-E11 HydrophobicContact CG-CB 4.45Å |
| 8 | S | 88.9 | Confident | 85.1 | Confident | 57 Ų | 57 | 91.8 Ų | 91.8 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | trans | -69.2 | 158.4 | 164.9 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | Y10 E11 L12 | S8-Y10 PolarHBondContact O-N 2.77Å; S8-E11 PolarHBondContact N-OE2 2.76Å; S8-E11 PolarHBondContact O-N 3.34Å; S8-E11 VanDerWaalsContact OG-CG 3.27Å; S8-E11 WeakPolarHBondContact OG-CG 3.45Å; S8-E11 PolarHBondContact OG-N 3.17Å; S8-L12 PolarHBondContact O-N 2.94Å | ||
| 9 | D | 91.3 | Very high | 85.2 | Confident | 52 Ų | 52 | 90.7 Ų | 90.7 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.5 | -40.5 | 178.5 | -67.2 | -28.2 | 0 | 0 | 0 | 112.1 | E11 L12 H13 I26 R31 | D9-E11 PolarHBondContact O-N 2.8Å; D9-L12 PolarHBondContact O-N 2.79Å; D9-H13 WeakPolarHBondContact O-CB 3.05Å; D9-H13 PolarHBondContact O-N 3.39Å; D9-I26 HydrophobicContact CB-CB 4.3Å; D9-I26 HydrophobicContact CB-CD1 4.22Å; D9-I26 HydrophobicContact CB-CG2 3.94Å; D9-I26 WeakPolarHBondContact O-CD1 3.44Å; D9-I26 WeakPolarHBondContact OD1-CG2 3.31Å; D9-R31 IonicContact OD1-CZ 3.65Å; D9-R31 IonicContact OD1-NE 3.99Å; D9-R31 PolarHBondContact OD1-NE 3.02Å; D9-R31 IonicContact OD1-NH2 2.68Å; D9-R31 PolarHBondContact OD1-NH2 3.35Å; D9-R31 IonicContact OD2-CZ 3.85Å; D9-R31 IonicContact OD2-NE 2.68Å; D9-R31 IonicContact OD2-NH2 3.16Å; D9-R31 PolarHBondContact OD2-NH2 3.45Å |
| 10 | Y | 88.9 | Confident | 85.2 | Confident | 170 Ų | 170 | 89.7 Ų | 89.7 | 67% | 0.667 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 177.1 | 176.5 | -104.4 | 0 | 0 | 0 | 112.3 | S8 H13 K14 | S8-Y10 PolarHBondContact O-N 2.77Å; Y10-H13 WeakPolarHBondContact O-CB 3.2Å; Y10-H13 PolarHBondContact O-N 3.44Å; Y10-K14 WeakPolarHBondContact O-CB 3.28Å; Y10-K14 PolarHBondContact O-N 3.4Å |
| 11 | E | 91.7 | Very high | 85.2 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 178.3 | -68.4 | 173.4 | 165.2 | 0 | 0 | 111.5 | L7 S8 D9 H13 K14 H15 | L7-E11 HydrophobicContact CB-CB 4.23Å; L7-E11 HydrophobicContact CD2-CB 3.71Å; L7-E11 HydrophobicContact CG-CB 4.45Å; S8-E11 PolarHBondContact N-OE2 2.76Å; S8-E11 PolarHBondContact O-N 3.34Å; S8-E11 VanDerWaalsContact OG-CG 3.27Å; S8-E11 WeakPolarHBondContact OG-CG 3.45Å; S8-E11 PolarHBondContact OG-N 3.17Å; D9-E11 PolarHBondContact O-N 2.8Å; E11-H13 VanDerWaalsContact C-N 3.31Å; E11-H13 PolarHBondContact O-N 2.83Å; E11-K14 PolarHBondContact O-N 3.47Å; E11-H15 PolarHBondContact O-N 3.41Å; E11-H15 PolarHBondContact O-ND1 3.03Å |
| 12 | L | 91.1 | Very high | 86.2 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 2% | 0.016 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 174.5 | -179.4 | 60.1 | 0 | 0 | 0 | 110.8 | S8 D9 H15 L16 R31 E35 L38 | S8-L12 PolarHBondContact O-N 2.94Å; D9-L12 PolarHBondContact O-N 2.79Å; L12-H15 PolarHBondContact O-N 3.21Å; L12-L16 HydrophobicContact CD1-CD1 4.45Å; L12-L16 HydrophobicContact CG-CD1 4.37Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.82Å; L12-L16 VanDerWaalsContact O-N 3.08Å; L12-R31 HydrophobicContact CD2-CG 4.33Å; L12-E35 HydrophobicContact CD1-CG 4.42Å; L12-E35 HydrophobicContact CD2-CG 4.01Å; L12-L38 HydrophobicContact CD1-CB 4.11Å; L12-L38 HydrophobicContact CD1-CD2 3.75Å |
| 13 | H | 90.8 | Very high | 87 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 29% | 0.287 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 175 | -168.1 | -83.8 | 0 | 0 | 0 | 112 | D9 Y10 E11 H15 L16 M17 P23 I26 | D9-H13 WeakPolarHBondContact O-CB 3.05Å; D9-H13 PolarHBondContact O-N 3.39Å; Y10-H13 WeakPolarHBondContact O-CB 3.2Å; Y10-H13 PolarHBondContact O-N 3.44Å; E11-H13 VanDerWaalsContact C-N 3.31Å; E11-H13 PolarHBondContact O-N 2.83Å; H13-H15 VanDerWaalsContact C-N 3.34Å; H13-H15 PolarHBondContact O-N 2.9Å; H13-L16 PolarHBondContact O-N 3.27Å; H13-M17 PolarHBondContact CE1-SD 3.2Å; H13-M17 PolarHBondContact ND1-SD 3.04Å; H13-M17 VanDerWaalsContact ND1-SD 3.39Å; H13-M17 WeakPolarHBondContact O-CG 3.06Å; H13-M17 PolarHBondContact O-N 2.91Å; H13-P23 WeakPolarHBondContact CD2-CG 3.15Å; H13-I26 HydrophobicContact CB-CD1 3.72Å |
| 14 | K | 90.1 | Very high | 87.4 | Confident | 129 Ų | 129 | 76.6 Ų | 76.6 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.6 | -41.2 | -179.6 | -175.7 | 179.5 | -179.6 | -179.5 | 0 | 112.5 | Y10 E11 K18 | Y10-K14 WeakPolarHBondContact O-CB 3.28Å; Y10-K14 PolarHBondContact O-N 3.4Å; E11-K14 PolarHBondContact O-N 3.47Å; K14-K18 WeakPolarHBondContact O-CB 3.38Å; K14-K18 PolarHBondContact O-N 3.17Å |
| 15 | H | 90.6 | Very high | 87.7 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 177.7 | -75.2 | 88.2 | 0 | 0 | 0 | 111.8 | E11 L12 H13 K18 L19 L38 | E11-H15 PolarHBondContact O-N 3.41Å; E11-H15 PolarHBondContact O-ND1 3.03Å; L12-H15 PolarHBondContact O-N 3.21Å; H13-H15 VanDerWaalsContact C-N 3.34Å; H13-H15 PolarHBondContact O-N 2.9Å; H15-K18 PolarHBondContact O-N 3.5Å; H15-L19 VanDerWaalsContact O-CG 3.3Å; H15-L19 WeakPolarHBondContact O-CG 3.33Å; H15-L19 PolarHBondContact O-N 3.34Å; H15-L19 VanDerWaalsContact O-N 3.17Å; H15-L38 HydrophobicContact CB-CD1 3.75Å; H15-L38 HydrophobicContact CB-CD2 4.06Å |
| 16 | L | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.5 | -72.3 | 172.3 | 0 | 0 | 0 | 111.9 | L12 H13 K18 L19 G20 F21 P23 Y34 K37 L38 L41 | L12-L16 HydrophobicContact CD1-CD1 4.45Å; L12-L16 HydrophobicContact CG-CD1 4.37Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.82Å; L12-L16 VanDerWaalsContact O-N 3.08Å; H13-L16 PolarHBondContact O-N 3.27Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.08Å; L16-L19 CarbonylContact O-C 3.22Å; L16-L19 PolarHBondContact O-N 2.96Å; L16-L19 VanDerWaalsContact O-N 3.09Å; L16-G20 PolarHBondContact O-N 2.95Å; L16-F21 CarbonylContact C-O 3.55Å; L16-F21 HydrophobicContact CB-CB 4.29Å; L16-F21 HydrophobicContact CB-CD1 4.17Å; L16-F21 HydrophobicContact CD1-CD1 4.27Å; L16-F21 HydrophobicContact CD2-CB 4.47Å; L16-F21 HydrophobicContact CD2-CD1 4.21Å; L16-F21 HydrophobicContact CG-CD1 4.46Å; L16-F21 PolarHBondContact O-N 3.49Å; L16-F21 VanDerWaalsContact O-O 3.13Å; L16-P23 HydrophobicContact CB-CG 4.16Å; L16-P23 HydrophobicContact CD1-CB 4.08Å; L16-P23 HydrophobicContact CD1-CG 4.19Å; L16-Y34 HydrophobicContact CD1-CD1 3.83Å; L16-Y34 HydrophobicContact CD1-CG 4.05Å; L16-K37 HydrophobicContact CD2-CB 4.26Å; L16-L38 HydrophobicContact CD2-CB 4.13Å; L16-L41 HydrophobicContact CD2-CD1 4Å |
| 17 | M | 89.3 | Confident | 88.5 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 175.2 | -72.1 | -172.4 | 86.5 | 0 | 0 | 112.2 | H13 L19 G20 F21 | H13-M17 PolarHBondContact CE1-SD 3.2Å; H13-M17 PolarHBondContact ND1-SD 3.04Å; H13-M17 VanDerWaalsContact ND1-SD 3.39Å; H13-M17 WeakPolarHBondContact O-CG 3.06Å; H13-M17 PolarHBondContact O-N 2.91Å; M17-L19 PolarHBondContact O-N 3.48Å; M17-G20 PolarHBondContact O-N 3.24Å; M17-F21 VanDerWaalsContact CA-O 3.26Å; M17-F21 WeakPolarHBondContact CA-O 3.2Å; M17-F21 PolarHBondContact N-O 3.47Å |
| 18 | K | 89.8 | Confident | 88.5 | Confident | 185 Ų | 185 | 73.8 Ų | 73.8 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.2 | -30.7 | 176.6 | -174.7 | 177.5 | 177.9 | -176.7 | 0 | 112.5 | K14 H15 L16 G20 | K14-K18 WeakPolarHBondContact O-CB 3.38Å; K14-K18 PolarHBondContact O-N 3.17Å; H15-K18 PolarHBondContact O-N 3.5Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.08Å; K18-G20 VanDerWaalsContact C-N 3.27Å |
| 19 | L | 85.9 | Confident | 88.3 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.2 | 176.8 | -62.4 | 167.7 | 0 | 0 | 0 | 112.7 | H15 L16 M17 L38 L41 L42 | H15-L19 VanDerWaalsContact O-CG 3.3Å; H15-L19 WeakPolarHBondContact O-CG 3.33Å; H15-L19 PolarHBondContact O-N 3.34Å; H15-L19 VanDerWaalsContact O-N 3.17Å; L16-L19 CarbonylContact O-C 3.22Å; L16-L19 PolarHBondContact O-N 2.96Å; L16-L19 VanDerWaalsContact O-N 3.09Å; M17-L19 PolarHBondContact O-N 3.48Å; L19-L38 HydrophobicContact CD1-CD1 3.49Å; L19-L38 VanDerWaalsContact CD1-CD1 3.49Å; L19-L41 HydrophobicContact CB-CB 4.42Å; L19-L41 HydrophobicContact CB-CD1 3.9Å; L19-L41 HydrophobicContact CD1-CB 3.68Å; L19-L41 HydrophobicContact CD1-CD1 4.06Å; L19-L42 HydrophobicContact CD1-CD2 4.23Å; L19-L42 HydrophobicContact CD1-CG 4.44Å |
| 20 | G | 85.4 | Confident | 88.3 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 12.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L16 M17 K18 | L16-G20 PolarHBondContact O-N 2.95Å; M17-G20 PolarHBondContact O-N 3.24Å; K18-G20 VanDerWaalsContact C-N 3.27Å |
| 21 | F | 84.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 31% | 0.307 | 39% | 0.392 | S | S | . | . | trans | -94.8 | 129 | 172.6 | -171 | -97.2 | 0 | 0 | 0 | 109.5 | L16 M17 P23 Y34 L41 | L16-F21 CarbonylContact C-O 3.55Å; L16-F21 HydrophobicContact CB-CB 4.29Å; L16-F21 HydrophobicContact CB-CD1 4.17Å; L16-F21 HydrophobicContact CD1-CD1 4.27Å; L16-F21 HydrophobicContact CD2-CB 4.47Å; L16-F21 HydrophobicContact CD2-CD1 4.21Å; L16-F21 HydrophobicContact CG-CD1 4.46Å; L16-F21 PolarHBondContact O-N 3.49Å; L16-F21 VanDerWaalsContact O-O 3.13Å; M17-F21 VanDerWaalsContact CA-O 3.26Å; M17-F21 WeakPolarHBondContact CA-O 3.2Å; M17-F21 PolarHBondContact N-O 3.47Å; F21-P23 HydrophobicContact CD1-CB 4.04Å; F21-P23 HydrophobicContact CD1-CG 4.49Å; F21-P23 HydrophobicContact CE1-CB 3.91Å; F21-P23 WeakPolarHBondContact O-CD 3.32Å; F21-Y34 HydrophobicContact CE1-CD1 4.04Å; F21-Y34 AromaticContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CZ-CE1 4.46Å; F21-L41 HydrophobicContact CB-CD1 4.16Å | ||
| 22 | T | 86.9 | Confident | 88.4 | Confident | 120 Ų | 120 | 74.1 Ų | 74.1 | 74% | 0.736 | 40% | 0.403 | S | S | * | . | trans | -98.3 | 89.5 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 23 | P | 86.4 | Confident | 88.4 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | trans | -66.9 | 148.1 | 178.1 | 30.2 | -36.1 | 0 | 0 | 0 | 110.7 | H13 L16 F21 Y34 | H13-P23 WeakPolarHBondContact CD2-CG 3.15Å; L16-P23 HydrophobicContact CB-CG 4.16Å; L16-P23 HydrophobicContact CD1-CB 4.08Å; L16-P23 HydrophobicContact CD1-CG 4.19Å; F21-P23 HydrophobicContact CD1-CB 4.04Å; F21-P23 HydrophobicContact CD1-CG 4.49Å; F21-P23 HydrophobicContact CE1-CB 3.91Å; F21-P23 WeakPolarHBondContact O-CD 3.32Å; P23-Y34 HydrophobicContact CB-CD1 3.94Å; P23-Y34 HydrophobicContact CB-CE1 3.53Å | ||
| 24 | G | 87.7 | Confident | 88.4 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | trans | -79.1 | -161.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I26 Y34 | G24-I26 PolarHBondContact O-N 3.38Å; G24-Y34 WeakPolarHBondContact CA-OH 3.47Å; G24-Y34 PolarHBondContact N-OH 2.91Å; G24-Y34 PolarHBondContact O-OH 2.73Å | ||
| 25 | P | 85.1 | Confident | 88.5 | Confident | 37 Ų | 37 | 71.3 Ų | 71.3 | 24% | 0.24 | 40% | 0.396 | C | S | . | . | trans | -63.4 | 136.2 | -175.6 | 30.6 | -34 | 0 | 0 | 0 | 110.4 | L27 T30 W167 | P25-L27 HydrophobicContact CB-CD1 3.62Å; P25-L27 HydrophobicContact CG-CD1 3.69Å; P25-L27 WeakPolarHBondContact O-CD1 3.15Å; P25-L27 PolarHBondContact O-N 3.28Å; P25-T30 PolarHBondContact O-OG1 2.83Å; P25-W167 HydrophobicContact CB-CH2 3.66Å; P25-W167 HydrophobicContact CB-CZ2 3.59Å; P25-W167 HydrophobicContact CG-CH2 3.67Å; P25-W167 HydrophobicContact CG-CZ2 3.61Å | ||
| 26 | I | 88.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | trans | -88.7 | 94.4 | -179.2 | -58.9 | 177.8 | 0 | 0 | 0 | 107.8 | D9 H13 G24 R31 Y34 | D9-I26 HydrophobicContact CB-CB 4.3Å; D9-I26 HydrophobicContact CB-CD1 4.22Å; D9-I26 HydrophobicContact CB-CG2 3.94Å; D9-I26 WeakPolarHBondContact O-CD1 3.44Å; D9-I26 WeakPolarHBondContact OD1-CG2 3.31Å; H13-I26 HydrophobicContact CB-CD1 3.72Å; G24-I26 PolarHBondContact O-N 3.38Å; I26-R31 HydrophobicContact CG2-CB 4.35Å; I26-Y34 HydrophobicContact CG1-CD2 4Å; I26-Y34 HydrophobicContact CG1-CE2 4Å; I26-Y34 HydrophobicContact CG2-CD2 4.41Å | ||
| 27 | L | 89.8 | Confident | 88.3 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | trans | -91.4 | 155.2 | 173.4 | -78 | 75.7 | 0 | 0 | 0 | 109.4 | P25 S29 T30 R31 | P25-L27 HydrophobicContact CB-CD1 3.62Å; P25-L27 HydrophobicContact CG-CD1 3.69Å; P25-L27 WeakPolarHBondContact O-CD1 3.15Å; P25-L27 PolarHBondContact O-N 3.28Å; L27-S29 PolarHBondContact O-N 2.92Å; L27-S29 VanDerWaalsContact O-N 3.09Å; L27-T30 PolarHBondContact N-OG1 2.86Å; L27-T30 CarbonylContact O-C 3.55Å; L27-T30 PolarHBondContact O-N 3.47Å; L27-T30 PolarHBondContact O-OG1 2.81Å; L27-R31 PolarHBondContact O-N 3.23Å | ||
| 28 | P | 84.6 | Confident | 88.2 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 71% | 0.714 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.2 | -32 | 172.8 | -26 | 34.1 | 0 | 0 | 0 | 113.3 | ||
| 29 | S | 85.1 | Confident | 88.1 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.4 | -30.8 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | L27 | L27-S29 PolarHBondContact O-N 2.92Å; L27-S29 VanDerWaalsContact O-N 3.09Å |
| 30 | T | 90.3 | Very high | 88.1 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -101.1 | -14.7 | -178.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | P25 L27 K32 T33 Y34 | P25-T30 PolarHBondContact O-OG1 2.83Å; L27-T30 PolarHBondContact N-OG1 2.86Å; L27-T30 CarbonylContact O-C 3.55Å; L27-T30 PolarHBondContact O-N 3.47Å; L27-T30 PolarHBondContact O-OG1 2.81Å; T30-K32 PolarHBondContact O-N 2.95Å; T30-T33 WeakPolarHBondContact O-CA 3.38Å; T30-T33 VanDerWaalsContact O-CB 3.23Å; T30-T33 WeakPolarHBondContact O-CB 3.21Å; T30-T33 PolarHBondContact O-N 3.24Å; T30-Y34 WeakPolarHBondContact O-CD2 3.23Å; T30-Y34 PolarHBondContact O-N 3.3Å; T30-Y34 VanDerWaalsContact O-N 3.15Å |
| 31 | R | 92.3 | Very high | 87.8 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -49.5 | -50.9 | 179.7 | -176.1 | -175.9 | -73.6 | 169.4 | -1.9 | 112.5 | D9 L12 I26 L27 T33 Y34 E35 | D9-R31 IonicContact OD1-CZ 3.65Å; D9-R31 IonicContact OD1-NE 3.99Å; D9-R31 PolarHBondContact OD1-NE 3.02Å; D9-R31 IonicContact OD1-NH2 2.68Å; D9-R31 PolarHBondContact OD1-NH2 3.35Å; D9-R31 IonicContact OD2-CZ 3.85Å; D9-R31 IonicContact OD2-NE 2.68Å; D9-R31 IonicContact OD2-NH2 3.16Å; D9-R31 PolarHBondContact OD2-NH2 3.45Å; L12-R31 HydrophobicContact CD2-CG 4.33Å; I26-R31 HydrophobicContact CG2-CB 4.35Å; L27-R31 PolarHBondContact O-N 3.23Å; R31-T33 PolarHBondContact O-N 3.42Å; R31-Y34 PolarHBondContact O-N 2.8Å; R31-Y34 VanDerWaalsContact O-N 3.11Å; R31-E35 WeakPolarHBondContact CG-OE1 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.25Å; R31-E35 PolarHBondContact O-N 3.3Å |
| 32 | K | 91.4 | Very high | 87.6 | Confident | 149 Ų | 149 | 66.9 Ų | 66.9 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.9 | -29.5 | 178.2 | -69.2 | -176.4 | 179.8 | 176.5 | 0 | 113.3 | T30 K36 | T30-K32 PolarHBondContact O-N 2.95Å; K32-K36 VanDerWaalsContact O-CG 3.27Å; K32-K36 WeakPolarHBondContact O-CG 3.31Å; K32-K36 PolarHBondContact O-N 3.31Å |
| 33 | T | 90.3 | Very high | 87.2 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.5 | -45 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | T30 R31 K36 K37 | T30-T33 WeakPolarHBondContact O-CA 3.38Å; T30-T33 VanDerWaalsContact O-CB 3.23Å; T30-T33 WeakPolarHBondContact O-CB 3.21Å; T30-T33 PolarHBondContact O-N 3.24Å; R31-T33 PolarHBondContact O-N 3.42Å; T33-K36 PolarHBondContact O-N 2.95Å; T33-K37 VanDerWaalsContact O-CG 3.3Å; T33-K37 WeakPolarHBondContact O-CG 3.33Å; T33-K37 PolarHBondContact O-N 3.48Å |
| 34 | Y | 92 | Very high | 86.1 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 177.3 | -70 | -49.5 | 0 | 0 | 0 | 112.9 | L16 F21 P23 G24 I26 T30 R31 K37 L38 | L16-Y34 HydrophobicContact CD1-CD1 3.83Å; L16-Y34 HydrophobicContact CD1-CG 4.05Å; F21-Y34 HydrophobicContact CE1-CD1 4.04Å; F21-Y34 AromaticContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CE1-CE1 3.81Å; F21-Y34 HydrophobicContact CZ-CE1 4.46Å; P23-Y34 HydrophobicContact CB-CD1 3.94Å; P23-Y34 HydrophobicContact CB-CE1 3.53Å; G24-Y34 WeakPolarHBondContact CA-OH 3.47Å; G24-Y34 PolarHBondContact N-OH 2.91Å; G24-Y34 PolarHBondContact O-OH 2.73Å; I26-Y34 HydrophobicContact CG1-CD2 4Å; I26-Y34 HydrophobicContact CG1-CE2 4Å; I26-Y34 HydrophobicContact CG2-CD2 4.41Å; T30-Y34 WeakPolarHBondContact O-CD2 3.23Å; T30-Y34 PolarHBondContact O-N 3.3Å; T30-Y34 VanDerWaalsContact O-N 3.15Å; R31-Y34 PolarHBondContact O-N 2.8Å; R31-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K37 WeakPolarHBondContact O-CB 3.27Å; Y34-K37 PolarHBondContact O-N 3.03Å; Y34-L38 PolarHBondContact O-N 2.91Å |
| 35 | E | 91 | Very high | 84.8 | Confident | 28 Ų | 28 | 70.9 Ų | 70.9 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 171.7 | -73.3 | 175.4 | -156.1 | 0 | 0 | 112 | V4 L12 R31 K37 L38 V39 | V4-E35 HydrophobicContact CG1-CB 3.59Å; V4-E35 HydrophobicContact CG1-CG 3.82Å; L12-E35 HydrophobicContact CD1-CG 4.42Å; L12-E35 HydrophobicContact CD2-CG 4.01Å; R31-E35 WeakPolarHBondContact CG-OE1 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.25Å; R31-E35 PolarHBondContact O-N 3.3Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 2.91Å; E35-L38 WeakPolarHBondContact O-CB 3.33Å; E35-L38 PolarHBondContact O-N 3.09Å; E35-L38 VanDerWaalsContact O-N 3.14Å; E35-V39 WeakPolarHBondContact O-CG2 3.49Å; E35-V39 PolarHBondContact O-N 3.24Å |
| 36 | K | 89.8 | Confident | 83.2 | Confident | 154 Ų | 154 | 74.5 Ų | 74.5 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 176.1 | -71.9 | 173.5 | -178.3 | -175.5 | 0 | 111.7 | K32 T33 V39 Q40 | K32-K36 VanDerWaalsContact O-CG 3.27Å; K32-K36 WeakPolarHBondContact O-CG 3.31Å; K32-K36 PolarHBondContact O-N 3.31Å; T33-K36 PolarHBondContact O-N 2.95Å; K36-V39 PolarHBondContact O-N 3.34Å; K36-Q40 VanDerWaalsContact O-CB 3.24Å; K36-Q40 WeakPolarHBondContact O-CB 3.02Å; K36-Q40 PolarHBondContact O-N 2.95Å |
| 37 | K | 87.2 | Confident | 81 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 23% | 0.226 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 175.1 | -70.4 | -66.6 | 179.6 | -171.5 | 0 | 111.9 | L16 T33 Y34 E35 Q40 L41 | L16-K37 HydrophobicContact CD2-CB 4.26Å; T33-K37 VanDerWaalsContact O-CG 3.3Å; T33-K37 WeakPolarHBondContact O-CG 3.33Å; T33-K37 PolarHBondContact O-N 3.48Å; Y34-K37 WeakPolarHBondContact O-CB 3.27Å; Y34-K37 PolarHBondContact O-N 3.03Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 2.91Å; K37-Q40 WeakPolarHBondContact O-CB 3.5Å; K37-Q40 PolarHBondContact O-N 2.96Å; K37-L41 WeakPolarHBondContact O-CB 3.43Å; K37-L41 VanDerWaalsContact O-CG 3.26Å; K37-L41 WeakPolarHBondContact O-CG 3.21Å; K37-L41 PolarHBondContact O-N 2.89Å |
| 38 | L | 88.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 175.3 | -179.8 | 59.4 | 0 | 0 | 0 | 111.2 | V4 L12 H15 L16 L19 Y34 E35 Q40 L41 L42 | V4-L38 HydrophobicContact CG1-CB 4.47Å; V4-L38 HydrophobicContact CG1-CD2 4.19Å; V4-L38 HydrophobicContact CG2-CD2 4.43Å; L12-L38 HydrophobicContact CD1-CB 4.11Å; L12-L38 HydrophobicContact CD1-CD2 3.75Å; H15-L38 HydrophobicContact CB-CD1 3.75Å; H15-L38 HydrophobicContact CB-CD2 4.06Å; L16-L38 HydrophobicContact CD2-CB 4.13Å; L19-L38 HydrophobicContact CD1-CD1 3.49Å; L19-L38 VanDerWaalsContact CD1-CD1 3.49Å; Y34-L38 PolarHBondContact O-N 2.91Å; E35-L38 WeakPolarHBondContact O-CB 3.33Å; E35-L38 PolarHBondContact O-N 3.09Å; E35-L38 VanDerWaalsContact O-N 3.14Å; L38-Q40 VanDerWaalsContact C-N 3.25Å; L38-Q40 PolarHBondContact O-N 3.27Å; L38-L41 PolarHBondContact O-N 2.86Å; L38-L42 HydrophobicContact CD1-CD1 4.03Å; L38-L42 HydrophobicContact CD1-CG 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.02Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.3Å; L38-L42 PolarHBondContact O-N 2.86Å |
| 39 | V | 87.3 | Confident | 77.4 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57 | -43.3 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | V4 E35 K36 L42 A43 | V4-V39 HydrophobicContact CB-CG2 4.08Å; V4-V39 HydrophobicContact CG1-CG2 4.13Å; V4-V39 HydrophobicContact CG2-CG2 3.65Å; E35-V39 WeakPolarHBondContact O-CG2 3.49Å; E35-V39 PolarHBondContact O-N 3.24Å; K36-V39 PolarHBondContact O-N 3.34Å; V39-L42 PolarHBondContact O-N 2.99Å; V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 3.35Å |
| 40 | Q | 85.1 | Confident | 75.5 | Confident | 61 Ų | 61 | 83.7 Ų | 83.7 | 29% | 0.285 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | -179.9 | -174.8 | 179.3 | 8.3 | 0 | 0 | 112.9 | K36 K37 L38 A43 S44 | K36-Q40 VanDerWaalsContact O-CB 3.24Å; K36-Q40 WeakPolarHBondContact O-CB 3.02Å; K36-Q40 PolarHBondContact O-N 2.95Å; K37-Q40 WeakPolarHBondContact O-CB 3.5Å; K37-Q40 PolarHBondContact O-N 2.96Å; L38-Q40 VanDerWaalsContact C-N 3.25Å; L38-Q40 PolarHBondContact O-N 3.27Å; Q40-A43 PolarHBondContact O-N 3.45Å; Q40-S44 PolarHBondContact O-N 3.03Å; Q40-S44 PolarHBondContact O-OG 3.36Å |
| 41 | L | 79.8 | Confident | 73.2 | Confident | 33 Ų | 33 | 87.8 Ų | 87.8 | 17% | 0.173 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -72.8 | -29.5 | 178.9 | -69.6 | 170 | 0 | 0 | 0 | 112.6 | L16 L19 F21 K37 L38 S44 | L16-L41 HydrophobicContact CD2-CD1 4Å; L19-L41 HydrophobicContact CB-CB 4.42Å; L19-L41 HydrophobicContact CB-CD1 3.9Å; L19-L41 HydrophobicContact CD1-CB 3.68Å; L19-L41 HydrophobicContact CD1-CD1 4.06Å; F21-L41 HydrophobicContact CB-CD1 4.16Å; K37-L41 WeakPolarHBondContact O-CB 3.43Å; K37-L41 VanDerWaalsContact O-CG 3.26Å; K37-L41 WeakPolarHBondContact O-CG 3.21Å; K37-L41 PolarHBondContact O-N 2.89Å; L38-L41 PolarHBondContact O-N 2.86Å; L41-S44 VanDerWaalsContact O-O 3.09Å |
| 42 | L | 80.7 | Confident | 70.8 | Confident | 104 Ų | 104 | 92 Ų | 92 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.2 | -32.2 | 173.4 | -67.3 | 174.8 | 0 | 0 | 0 | 112 | L19 L38 V39 | L19-L42 HydrophobicContact CD1-CD2 4.23Å; L19-L42 HydrophobicContact CD1-CG 4.44Å; L38-L42 HydrophobicContact CD1-CD1 4.03Å; L38-L42 HydrophobicContact CD1-CG 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.02Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.3Å; L38-L42 PolarHBondContact O-N 2.86Å; V39-L42 PolarHBondContact O-N 2.99Å |
| 43 | A | 78.6 | Confident | 68.5 | Low | 84 Ų | 84 | 94.4 Ų | 94.4 | 69% | 0.694 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -86.5 | -21.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V39 Q40 | V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 3.35Å; Q40-A43 PolarHBondContact O-N 3.45Å |
| 44 | S | 63.5 | Low | 66.4 | Low | 50 Ų | 50 | 101.6 Ų | 101.6 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -143.1 | 143.2 | -177.5 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | Q40 L41 | Q40-S44 PolarHBondContact O-N 3.03Å; Q40-S44 PolarHBondContact O-OG 3.36Å; L41-S44 VanDerWaalsContact O-O 3.09Å |
| 45 | P | 59.8 | Low | 64.1 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 76% | 0.76 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -60.1 | 167.1 | 174.7 | -20.4 | 31.6 | 0 | 0 | 0 | 114.2 | ||
| 46 | P | 50.9 | Low | 61.9 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 74% | 0.74 | 59% | 0.586 | S | S | * | * | trans | -59.4 | 132.5 | -150.7 | 23.5 | -33.1 | 0 | 0 | 0 | 114.6 | K48 | P46-K48 PolarHBondContact O-N 3.38Å; P46-K48 VanDerWaalsContact O-N 3.08Å | ||
| 47 | W | 44.1 | Very low | 59.4 | Low | 124 Ų | 124 | 114 Ų | 114 | 47% | 0.47 | 60% | 0.595 | S | S | . | * | trans | -59.5 | 103.5 | -179.8 | 179.7 | -101.3 | 0 | 0 | 0 | 111.8 | P50 | W47-P50 HydrophobicContact CH2-CG 3.53Å; W47-P50 HydrophobicContact CZ2-CG 3.38Å; W47-P50 HydrophobicContact CZ3-CG 4.44Å | ||
| 48 | K | 48.5 | Very low | 57.5 | Low | 184 Ų | 184 | 117.2 Ų | 117.2 | 80% | 0.8 | 62% | 0.621 | S | S | * | * | trans | -69.8 | 127.6 | 152.1 | -69 | 178.6 | -177.5 | 177.8 | 0 | 106.6 | P46 | P46-K48 PolarHBondContact O-N 3.38Å; P46-K48 VanDerWaalsContact O-N 3.08Å | ||
| 49 | P | 49.3 | Very low | 55.1 | Low | 97 Ų | 97 | 126.7 Ų | 126.7 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | trans | -54.2 | 140.5 | 176.9 | 21.1 | -30 | 0 | 0 | 0 | 109.2 | V51 | P49-V51 PolarHBondContact O-N 3.03Š| ||
| 50 | P | 44.7 | Very low | 52.5 | Low | 90 Ų | 90 | 126.2 Ų | 126.2 | 58% | 0.584 | 68% | 0.676 | S | S | * | * | trans | -61.3 | 109.1 | 179.3 | -14.7 | 28.6 | 0 | 0 | 0 | 107.2 | W47 M52 | W47-P50 HydrophobicContact CH2-CG 3.53Å; W47-P50 HydrophobicContact CZ2-CG 3.38Å; W47-P50 HydrophobicContact CZ3-CG 4.44Å; P50-M52 VanDerWaalsContact C-N 3.34Å; P50-M52 PolarHBondContact O-N 3.23Å | ||
| 51 | V | 41.8 | Very low | 50.3 | Low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -57.2 | 108.9 | 158.3 | 174.9 | 0 | 0 | 0 | 0 | 104 | P49 K53 | P49-V51 PolarHBondContact O-N 3.03Å; V51-K53 VanDerWaalsContact C-N 3.33Å; V51-K53 PolarHBondContact O-N 3.42Å | ||
| 52 | M | 42.3 | Very low | 48.9 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -48 | 107 | 166.1 | -93.4 | 178.5 | 149.4 | 0 | 0 | 105.9 | P50 R54 | P50-M52 VanDerWaalsContact C-N 3.34Å; P50-M52 PolarHBondContact O-N 3.23Å; M52-R54 VanDerWaalsContact C-N 3.27Å; M52-R54 PolarHBondContact O-N 3.25Å | ||
| 53 | K | 44 | Very low | 46.7 | Very low | 200 Ų | 200 | 137.8 Ų | 137.8 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -63.7 | 102 | 168.8 | -68.7 | -172 | -179.1 | -175 | 0 | 104.9 | V51 | V51-K53 VanDerWaalsContact C-N 3.33Å; V51-K53 PolarHBondContact O-N 3.42Å | ||
| 54 | R | 45.2 | Very low | 45.1 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | -49.9 | 127.7 | 172.2 | -155.8 | 179.2 | -165.1 | 174.2 | 2.9 | 106.9 | M52 T56 | M52-R54 VanDerWaalsContact C-N 3.27Å; M52-R54 PolarHBondContact O-N 3.25Å; R54-T56 PolarHBondContact O-N 3.11Å; R54-T56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | P | 44.2 | Very low | 44.4 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -58.1 | 118.8 | 175.7 | -23 | 32.5 | 0 | 0 | 0 | 109.5 | R57 | P55-R57 PolarHBondContact O-N 3.15Š| ||
| 56 | T | 44.4 | Very low | 43.8 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -43.7 | 122.2 | 162.5 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | R54 | R54-T56 PolarHBondContact O-N 3.11Å; R54-T56 VanDerWaalsContact O-N 3.08Å | ||
| 57 | R | 37.9 | Very low | 44.1 | Very low | 228 Ų | 228 | 145.3 Ų | 145.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -124.9 | 120.4 | 160.1 | -70.7 | -169.4 | -177.9 | 179.3 | 1 | 108 | P55 | P55-R57 PolarHBondContact O-N 3.15Š| ||
| 58 | P | 46.9 | Very low | 44.3 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -76.3 | 150.3 | 174 | 27.9 | -27.2 | 0 | 0 | 0 | 111.6 | ||||
| 59 | H | 38.2 | Very low | 44.4 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | -14.3 | 140.2 | 170.9 | -111.1 | -63.3 | 0 | 0 | 0 | 119.6 | ||||
| 60 | G | 32.5 | Very low | 44.8 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | -175 | 102 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 61 | S | 38.9 | Very low | 45.2 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 46.1 | 135.3 | 148.1 | 56.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 62 | E | 50.1 | Low | 45.6 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -53.7 | 149.2 | 165.9 | -66.2 | 154.7 | 125.9 | 0 | 0 | 113.6 | ||||
| 63 | D | 34.9 | Very low | 45.9 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | 168.7 | 119.4 | 122.8 | -86.4 | -16.9 | 0 | 0 | 0 | 113.2 | |||||
| 64 | S | 44.2 | Very low | 46.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 50.1 | 131.7 | 140.2 | 44.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 65 | D | 49.1 | Very low | 47 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | 46.8 | 121.5 | 141.4 | -81.3 | -32 | 0 | 0 | 0 | 121.8 | ||||
| 66 | D | 48.4 | Very low | 47.6 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | 168.9 | 144.4 | 95.5 | -153.8 | -4.6 | 0 | 0 | 0 | 111.8 | |||||
| 67 | S | 56.8 | Low | 47.9 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 91.4 | 169.3 | 73.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 68 | E | 47.5 | Very low | 48 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | trans | -81 | 122.8 | 159.4 | -60 | -96 | 145 | 0 | 0 | 109.2 | P70 | E68-P70 WeakPolarHBondContact O-CD 3.47Š| ||
| 69 | D | 52 | Low | 48.3 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -84.5 | 99.3 | 158.2 | -90.2 | -42 | 0 | 0 | 0 | 108.7 | A71 | D69-A71 PolarHBondContact O-N 3.2Š| ||
| 70 | P | 56 | Low | 49.1 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 54% | 0.539 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.5 | -178.7 | 27.5 | -35.8 | 0 | 0 | 0 | 112.9 | E68 I72 K73 I74 | E68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-I72 PolarHBondContact O-N 2.9Å; P70-K73 PolarHBondContact O-N 2.98Å; P70-I74 WeakPolarHBondContact O-CG1 3.3Å; P70-I74 PolarHBondContact O-N 2.8Å |
| 71 | A | 53.2 | Low | 50.1 | Low | 61 Ų | 61 | 136.6 Ų | 136.6 | 50% | 0.504 | 74% | 0.738 | S | S | . | * | H | α-helix | trans | -63.9 | -35.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D69 K73 | D69-A71 PolarHBondContact O-N 3.2Å; A71-K73 VanDerWaalsContact C-N 3.34Å |
| 72 | I | 51.8 | Low | 50.6 | Low | 137 Ų | 137 | 140.6 Ų | 140.6 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -77.1 | -26.9 | -178.5 | -56.7 | 175.9 | 0 | 0 | 0 | 110.9 | P70 | P70-I72 PolarHBondContact O-N 2.9Å |
| 73 | K | 47.8 | Very low | 50.6 | Low | 161 Ų | 161 | 137.8 Ų | 137.8 | 70% | 0.7 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -82.8 | -21.6 | -175.8 | -153.2 | 174.6 | -175.8 | -177.1 | 0 | 113.1 | P70 A71 | P70-K73 PolarHBondContact O-N 2.98Å; A71-K73 VanDerWaalsContact C-N 3.34Å |
| 74 | I | 58.2 | Low | 51.2 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -79.7 | -26.8 | 179 | -9.5 | 177.4 | 0 | 0 | 0 | 112.8 | P70 L76 K77 | P70-I74 WeakPolarHBondContact O-CG1 3.3Å; P70-I74 PolarHBondContact O-N 2.8Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.28Å; I74-K77 PolarHBondContact O-N 3.43Å |
| 75 | I | 54.2 | Low | 51.1 | Low | 143 Ų | 143 | 141.4 Ų | 141.4 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -69 | -30 | 178.7 | -62 | 174.5 | 0 | 0 | 0 | 111.4 | ||
| 76 | L | 56.5 | Low | 51.1 | Low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -11.3 | 179.9 | -120 | 99.2 | 0 | 0 | 0 | 114.3 | I74 | I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.28Å |
| 77 | K | 51.5 | Low | 50.7 | Low | 179 Ų | 179 | 138.5 Ų | 138.5 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 32.1 | -175.6 | -157.3 | 174.5 | 176.6 | -177.3 | 0 | 111.8 | I74 | I74-K77 PolarHBondContact O-N 3.43Š|
| 78 | G | 39.5 | Very low | 50.5 | Low | 47 Ų | 47 | 142.9 Ų | 142.9 | 49% | 0.485 | 74% | 0.74 | S | S | . | * | trans | -109.2 | 109.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I80 | G78-I80 WeakPolarHBondContact O-CG1 3.23Å; G78-I80 PolarHBondContact O-N 2.8Å | ||
| 79 | N | 53.5 | Low | 50.2 | Low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -64.2 | 96.1 | 178.9 | -33.1 | -13.2 | 0 | 0 | 0 | 108.1 | K81 | N79-K81 PolarHBondContact O-N 3.49Š| ||
| 80 | I | 54.3 | Low | 49.6 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -68.2 | 104.2 | -178.6 | -40.9 | 175.4 | 0 | 0 | 0 | 108.1 | G78 F82 | G78-I80 WeakPolarHBondContact O-CG1 3.23Å; G78-I80 PolarHBondContact O-N 2.8Å; I80-F82 PolarHBondContact O-N 2.95Å | ||
| 81 | K | 53.6 | Low | 49.4 | Very low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | trans | -71.4 | 106.1 | 165.9 | -95.5 | -174.4 | 173.8 | -174.6 | 0 | 108.1 | N79 S83 | N79-K81 PolarHBondContact O-N 3.49Å; K81-S83 PolarHBondContact O-N 3.34Å | ||
| 82 | F | 50.5 | Low | 48.9 | Very low | 202 Ų | 202 | 151.1 Ų | 151.1 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -60.4 | 105.4 | 163.2 | -95.6 | -91.2 | 0 | 0 | 0 | 109.2 | I80 K84 | I80-F82 PolarHBondContact O-N 2.95Å; F82-K84 PolarHBondContact O-N 3.08Å | ||
| 83 | S | 48.7 | Very low | 48.1 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -76.3 | 107.3 | 171.7 | 61 | 0 | 0 | 0 | 0 | 109.8 | K81 N85 | K81-S83 PolarHBondContact O-N 3.34Å; S83-N85 PolarHBondContact O-N 2.79Å | ||
| 84 | K | 48.3 | Very low | 47.8 | Very low | 179 Ų | 179 | 155 Ų | 155 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | -66.6 | 99.9 | 170.2 | 179.8 | 175.8 | 179.4 | 174.1 | 0 | 110.1 | F82 K86 | F82-K84 PolarHBondContact O-N 3.08Å; K84-K86 HydrophobicContact CG-CG 4.23Å; K84-K86 PolarHBondContact O-N 2.92Å | ||
| 85 | N | 42.6 | Very low | 46.6 | Very low | 151 Ų | 151 | 157.7 Ų | 157.7 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -74.5 | 107.3 | 163.7 | 163.2 | -14.9 | 0 | 0 | 0 | 108.5 | S83 | S83-N85 PolarHBondContact O-N 2.79Š| ||
| 86 | K | 48.2 | Very low | 45.5 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 108.7 | 158.7 | -80 | -87.5 | -177.8 | 179 | 0 | 105.8 | K84 | K84-K86 HydrophobicContact CG-CG 4.23Å; K84-K86 PolarHBondContact O-N 2.92Å | ||
| 87 | G | 40 | Very low | 45 | Very low | 69 Ų | 69 | 152.4 Ų | 152.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -133 | 109.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 88 | K | 53.4 | Low | 44.4 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -88.3 | 147.4 | 170 | -72.3 | -175.9 | 175.3 | -177.9 | 0 | 109.5 | ||||
| 89 | E | 39.9 | Very low | 44.5 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 80.8 | 126.7 | 140.6 | -158.9 | 167.8 | -173 | 0 | 0 | 120 | K91 | E89-K91 IonicContact OE1-NZ 2.99Š| ||
| 90 | G | 40.7 | Very low | 44.2 | Very low | 77 Ų | 77 | 155.8 Ų | 155.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -179.3 | 93.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 91 | K | 50.7 | Low | 43.8 | Very low | 172 Ų | 172 | 158 Ų | 158 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -63.4 | 150 | -179.6 | -63.9 | 166.7 | 176.7 | 165.5 | 0 | 113.6 | E89 | E89-K91 IonicContact OE1-NZ 2.99Š| ||
| 92 | K | 42 | Very low | 43.6 | Very low | 211 Ų | 211 | 158.9 Ų | 158.9 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | 167.3 | 100.2 | 140.1 | -88.3 | 161 | -161.9 | -169.9 | 0 | 108.8 | ||||
| 93 | R | 34.9 | Very low | 43.3 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | 79.1 | 103.1 | 91.8 | -167.1 | 175.9 | -178.5 | 179.8 | -0.2 | 114.8 | |||||
| 94 | L | 41.9 | Very low | 43.3 | Very low | 144 Ų | 144 | 157.8 Ų | 157.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 31.5 | 123.7 | 138.2 | -94.5 | 97.4 | 0 | 0 | 0 | 120.1 | ||||
| 95 | E | 33.2 | Very low | 43 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | 171.1 | 161.4 | 91.5 | -95.3 | -111.4 | 154 | 0 | 0 | 113.9 | |||||
| 96 | A | 30.6 | Very low | 43.3 | Very low | 88 Ų | 88 | 155.3 Ų | 155.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 73.8 | 102.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 97 | S | 45.9 | Very low | 42.9 | Very low | 109 Ų | 109 | 157.1 Ų | 157.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 83.9 | 91 | 60.4 | 174.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 98 | T | 38.9 | Very low | 43.4 | Very low | 143 Ų | 143 | 160.2 Ų | 160.2 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -133.9 | 97.2 | 139.6 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 99 | N | 42.2 | Very low | 43.1 | Very low | 101 Ų | 101 | 155.6 Ų | 155.6 | 54% | 0.54 | 78% | 0.776 | S | S | . | * | trans | -56.1 | 118.6 | 178.7 | 169.7 | -44.2 | 0 | 0 | 0 | 112.5 | R101 | N99-R101 WeakPolarHBondContact OD1-CA 3.42Å; N99-R101 WeakPolarHBondContact OD1-CB 3.27Å; N99-R101 PolarHBondContact OD1-N 3.32Å | ||
| 100 | K | 47 | Very low | 43.2 | Very low | 210 Ų | 210 | 157.2 Ų | 157.2 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -103.2 | 52.3 | 155.6 | -72.4 | -174.5 | 179.5 | 179.2 | 0 | 109.7 | ||||
| 101 | R | 45.6 | Very low | 43.3 | Very low | 198 Ų | 198 | 163.1 Ų | 163.1 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -96.6 | 60.8 | 167.3 | -64.9 | -177.7 | 174.4 | 161 | -2.2 | 110.1 | N99 | N99-R101 WeakPolarHBondContact OD1-CA 3.42Å; N99-R101 WeakPolarHBondContact OD1-CB 3.27Å; N99-R101 PolarHBondContact OD1-N 3.32Å | ||
| 102 | R | 50.4 | Low | 43.2 | Very low | 218 Ų | 218 | 160.4 Ų | 160.4 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | -114.1 | -6.5 | 171.3 | -84 | -171.7 | 179.2 | 169 | 0.5 | 114.7 | ||||
| 103 | I | 43.4 | Very low | 43.1 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -97.7 | -21.1 | -173.3 | -60.7 | 179 | 0 | 0 | 0 | 112.5 | ||
| 104 | L | 48.4 | Very low | 43.5 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -96.4 | -9.7 | -174.6 | -152.7 | 74.4 | 0 | 0 | 0 | 115 | ||
| 105 | D | 42.5 | Very low | 43.8 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -91.8 | -11 | -178 | -89.1 | -20.1 | 0 | 0 | 0 | 114.2 | ||
| 106 | I | 48.3 | Very low | 44.2 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -82 | -24 | 178.6 | -61 | 177.6 | 0 | 0 | 0 | 111.5 | ||
| 107 | Y | 41.3 | Very low | 45.4 | Very low | 217 Ų | 217 | 159.5 Ų | 159.5 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -94.1 | -13.6 | -174.7 | -159 | -102.4 | 0 | 0 | 0 | 114.7 | ||
| 108 | L | 49.9 | Very low | 45.1 | Very low | 134 Ų | 134 | 164.5 Ų | 164.5 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -100.3 | -0.9 | -174.2 | -94.9 | 106.4 | 0 | 0 | 0 | 116.1 | ||
| 109 | S | 47.9 | Very low | 45.5 | Very low | 103 Ų | 103 | 163 Ų | 163 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -114.4 | 25.8 | -170 | -87.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 110 | Q | 40.9 | Very low | 45.5 | Very low | 196 Ų | 196 | 163 Ų | 163 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -118.7 | 98.3 | 165 | -74.4 | -171.6 | 23.2 | 0 | 0 | 112.2 | ||||
| 111 | K | 43.6 | Very low | 45.7 | Very low | 202 Ų | 202 | 164.8 Ų | 164.8 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | -128.3 | 166.3 | 154.9 | -73.9 | -173.6 | 179.4 | 179.9 | 0 | 107.1 | ||||
| 112 | P | 48 | Very low | 45.5 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | cis | -133.5 | 149.8 | -45.3 | 35.6 | -20.8 | 0 | 0 | 0 | 110.9 | ||||
| 113 | T | 41.1 | Very low | 45.5 | Very low | 129 Ų | 129 | 155.5 Ų | 155.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -146.9 | 121 | 164.1 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 114 | K | 43.4 | Very low | 45.6 | Very low | 194 Ų | 194 | 153.7 Ų | 153.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 81.2 | 90 | 145.9 | -61 | 174.3 | -174.7 | -178.9 | 0 | 119 | ||||
| 115 | K | 46.5 | Very low | 45.9 | Very low | 184 Ų | 184 | 158.6 Ų | 158.6 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 11.9 | 108.5 | 133.9 | -165.8 | -173 | -171.8 | -175.6 | 0 | 117.1 | ||||
| 116 | V | 43 | Very low | 46 | Very low | 111 Ų | 111 | 159.5 Ų | 159.5 | 67% | 0.673 | 81% | 0.807 | S | S | * | * | trans | -141.1 | 126.5 | 142.3 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | Y118 | V116-Y118 HydrophobicContact CG1-CD2 3.82Å; V116-Y118 HydrophobicContact CG1-CE2 3.28Å | ||
| 117 | R | 54.4 | Low | 45.8 | Very low | 213 Ų | 213 | 162 Ų | 162 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -82.9 | 126.4 | 177.3 | -67 | 177.8 | 177.2 | 169.6 | -2.2 | 108.8 | ||||
| 118 | Y | 39.8 | Very low | 45.4 | Very low | 214 Ų | 214 | 162.6 Ų | 162.6 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -142.2 | 127.7 | 152 | -68 | -71.7 | 0 | 0 | 0 | 109.2 | V116 | V116-Y118 HydrophobicContact CG1-CD2 3.82Å; V116-Y118 HydrophobicContact CG1-CE2 3.28Å | ||
| 119 | A | 46.9 | Very low | 44.5 | Very low | 113 Ų | 113 | 167.1 Ų | 167.1 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 134.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | A | 43.3 | Very low | 44.1 | Very low | 101 Ų | 101 | 168.1 Ų | 168.1 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -133.4 | 130.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 121 | R | 50.3 | Low | 43.9 | Very low | 246 Ų | 246 | 164.3 Ų | 164.3 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 158.3 | -170.7 | -61.4 | 178.5 | 176.4 | -175.2 | -1.7 | 113.7 | ||||
| 122 | P | 42.4 | Very low | 43.6 | Very low | 127 Ų | 127 | 159.1 Ų | 159.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -90.6 | 134.8 | 171.4 | 33.9 | -28.3 | 0 | 0 | 0 | 112.3 | ||||
| 123 | S | 49.2 | Very low | 43.2 | Very low | 94 Ų | 94 | 161.8 Ų | 161.8 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | 147.8 | 122.3 | 140.3 | 165.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 124 | P | 46.1 | Very low | 43.2 | Very low | 120 Ų | 120 | 163.3 Ų | 163.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -111.5 | 117.8 | 139.6 | 12.2 | 7.5 | 0 | 0 | 0 | 110.2 | I126 | P124-I126 PolarHBondContact O-N 3.43Š| ||
| 125 | R | 54.5 | Low | 42.7 | Very low | 239 Ų | 239 | 162.1 Ų | 162.1 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -65.3 | 112.1 | 164 | -72.5 | 174.4 | 175 | 155.5 | -2.4 | 108.6 | ||||
| 126 | I | 44.5 | Very low | 42.1 | Very low | 144 Ų | 144 | 164.1 Ų | 164.1 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -128.4 | 94.8 | 160.7 | -63.2 | 176.3 | 0 | 0 | 0 | 107.7 | P124 | P124-I126 PolarHBondContact O-N 3.43Š| ||
| 127 | K | 44.3 | Very low | 42.3 | Very low | 206 Ų | 206 | 163.2 Ų | 163.2 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -83 | 104.7 | 157.9 | -89.3 | -175.4 | 176.6 | 179.1 | 0 | 107 | ||||
| 128 | R | 33.5 | Very low | 41.2 | Very low | 230 Ų | 230 | 164.4 Ų | 164.4 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -119.1 | 89.3 | 149.6 | -77.9 | -165.6 | -177.2 | -176.7 | 2.5 | 107.6 | C130 | R128-C130 PolarHBondContact O-N 3.33Š| ||
| 129 | R | 31.8 | Very low | 40.7 | Very low | 228 Ų | 228 | 159.5 Ų | 159.5 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -64.3 | 111.7 | 169.7 | 174.1 | -177.1 | -107 | -175 | -7.8 | 106.8 | V131 | R129-V131 HydrophobicContact CG-CG2 3.76Š| ||
| 130 | C | 39.2 | Very low | 40.2 | Very low | 125 Ų | 125 | 161.1 Ų | 161.1 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -82.7 | 115.5 | 161.7 | -62.1 | 0 | 0 | 0 | 0 | 106.7 | R128 | R128-C130 PolarHBondContact O-N 3.33Š| ||
| 131 | V | 35.5 | Very low | 39.8 | Very low | 116 Ų | 116 | 165.5 Ų | 165.5 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | trans | -144.2 | 120.2 | 164.5 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | R129 | R129-V131 HydrophobicContact CG-CG2 3.76Š| ||
| 132 | S | 37.6 | Very low | 39 | Very low | 92 Ų | 92 | 165.5 Ų | 165.5 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | 32.1 | 120.6 | 144.3 | -145.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 133 | E | 39.3 | Very low | 38.7 | Very low | 172 Ų | 172 | 164.4 Ų | 164.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 22.8 | 141.2 | 122 | -122.1 | 174.8 | 179.5 | 0 | 0 | 120.8 | |||||
| 134 | E | 42 | Very low | 38 | Very low | 160 Ų | 160 | 168.9 Ų | 168.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 106.8 | 109.6 | 160.2 | -58.3 | 167 | -147.5 | 0 | 0 | 116.6 | ||||
| 135 | D | 31.8 | Very low | 37.3 | Very low | 170 Ų | 170 | 168.4 Ų | 168.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -168.2 | 95.3 | 135.6 | -94.1 | -25.9 | 0 | 0 | 0 | 110.7 | ||||
| 136 | Y | 35.3 | Very low | 36.4 | Very low | 225 Ų | 225 | 162.2 Ų | 162.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 115.6 | 170.5 | -153.2 | -95.9 | 0 | 0 | 0 | 108.7 | ||||
| 137 | S | 46.3 | Very low | 35.9 | Very low | 92 Ų | 92 | 160.5 Ų | 160.5 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | trans | 13.9 | 111.9 | 158.2 | 53.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 138 | R | 32.4 | Very low | 36 | Very low | 239 Ų | 239 | 155.1 Ų | 155.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -161.8 | 106.5 | 137.6 | -167.4 | 164.1 | -86.6 | 178.8 | -5.7 | 114.3 | ||||
| 139 | C | 28.6 | Very low | 36.1 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 23.6 | 129.1 | 136.7 | -78.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 140 | N | 35.6 | Very low | 36.2 | Very low | 147 Ų | 147 | 152.9 Ų | 152.9 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | 54.3 | 124.4 | 127.4 | -85.2 | -20.7 | 0 | 0 | 0 | 120.9 | |||||
| 141 | K | 36.5 | Very low | 35.7 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 67 | 109.8 | 156.3 | -60.2 | -175.2 | -178.9 | -176.3 | 0 | 116 | ||||
| 142 | R | 33 | Very low | 36.5 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | -163.1 | 118.8 | 121.7 | -122 | 171.2 | 175.8 | 171.1 | -2.1 | 114.2 | |||||
| 143 | S | 36 | Very low | 36.3 | Very low | 104 Ų | 104 | 159.2 Ų | 159.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 141.7 | 147.4 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 144 | K | 33.8 | Very low | 35.9 | Very low | 189 Ų | 189 | 157 Ų | 157 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 77.8 | 116.1 | 149.9 | -63.9 | 177.8 | -179.1 | -176.3 | 0 | 120.3 | ||||
| 145 | S | 32.9 | Very low | 35.5 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 66.7 | 111.6 | 130.7 | 63.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 146 | S | 35.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 158 Ų | 158 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -3.2 | 118 | 144.6 | 55.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 147 | S | 32.6 | Very low | 36.5 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 59.8 | 158.5 | 112.9 | 158.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 148 | P | 47.4 | Very low | 35.8 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 60% | 0.604 | 78% | 0.784 | S | S | * | * | cis | -140.7 | 176.6 | 3 | 24 | 2.6 | 0 | 0 | 0 | 118.8 | ||||
| 149 | Y | 34.9 | Very low | 35.8 | Very low | 214 Ų | 214 | 150.7 Ų | 150.7 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 81.6 | 108.7 | 155.8 | -61 | -66.2 | 0 | 0 | 0 | 121.9 | ||||
| 150 | Q | 33.6 | Very low | 36.3 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | 172.7 | 164.6 | 103 | -87.1 | -168.6 | 14.2 | 0 | 0 | 111.4 | |||||
| 151 | N | 29.4 | Very low | 37.4 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -86.7 | -156 | -152.1 | -163.4 | 15.4 | 0 | 0 | 0 | 115.4 | ||||
| 152 | P | 53 | Low | 37.3 | Very low | 93 Ų | 93 | 150 Ų | 150 | 60% | 0.604 | 78% | 0.779 | S | S | * | * | -101.5 | 159.7 | -100.6 | 29.1 | -12.5 | 0 | 0 | 0 | 114.3 | |||||
| 153 | R | 32.5 | Very low | 37.8 | Very low | 222 Ų | 222 | 145.4 Ų | 145.4 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | 171.1 | 137.4 | 124.3 | -103.4 | 179.8 | -173.1 | -161 | 1.1 | 113.7 | |||||
| 154 | N | 31.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | trans | 99.6 | 101.6 | 146.1 | -55.2 | -14.6 | 0 | 0 | 0 | 119 | ||||
| 155 | N | 34 | Very low | 38.4 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 88.5 | 91.7 | 131.5 | -59.4 | -0.1 | 0 | 0 | 0 | 118.6 | ||||
| 156 | F | 38.2 | Very low | 38.6 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -42.4 | 176.4 | 144.1 | -71.4 | -80.9 | 0 | 0 | 0 | 114.6 | ||||
| 157 | P | 49.4 | Very low | 38.8 | Very low | 104 Ų | 104 | 150 Ų | 150 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | -121.9 | -170.9 | -84 | 30.6 | -7 | 0 | 0 | 0 | 107.6 | |||||
| 158 | C | 31.6 | Very low | 39.3 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 174.7 | 100.9 | 143.2 | -87.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 159 | Q | 31.9 | Very low | 39.2 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | 49.1 | 100 | 86.8 | -80.4 | 171.2 | -12.5 | 0 | 0 | 113 | |||||
| 160 | N | 38.7 | Very low | 39.9 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -13.5 | 176.6 | 139.4 | -93.6 | -16.9 | 0 | 0 | 0 | 117.3 | ||||
| 161 | P | 59.4 | Low | 40.8 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | cis | -135 | 154.1 | -25.6 | 33.3 | -16.1 | 0 | 0 | 0 | 111.6 | ||||
| 162 | E | 34.8 | Very low | 42.2 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -136.5 | 104.2 | 171.3 | -63.5 | -67.9 | 163 | 0 | 0 | 111 | ||||
| 163 | D | 43.5 | Very low | 42.7 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -52.1 | 132.2 | 150.5 | -75.2 | -43.5 | 0 | 0 | 0 | 109 | ||||
| 164 | S | 41.3 | Very low | 44.6 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | 161.8 | 141 | 124.6 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 165 | F | 40.3 | Very low | 47.2 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 89% | 0.886 | 69% | 0.69 | S | S | * | * | trans | 86.1 | 60.1 | 166.6 | -69.2 | -81.1 | 0 | 0 | 0 | 118.1 | ||||
| 166 | L | 36.3 | Very low | 49.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | trans | -100 | 101.4 | 160.5 | -136.2 | -179.4 | 0 | 0 | 0 | 108.5 | ||||
| 167 | W | 41.6 | Very low | 52 | Low | 175 Ų | 175 | 128.1 Ų | 128.1 | 66% | 0.663 | 68% | 0.676 | S | S | * | * | trans | -109.7 | -0.6 | 165.1 | 84.5 | -88.3 | 0 | 0 | 0 | 113.4 | P25 | P25-W167 HydrophobicContact CB-CH2 3.66Å; P25-W167 HydrophobicContact CB-CZ2 3.59Å; P25-W167 HydrophobicContact CG-CH2 3.67Å; P25-W167 HydrophobicContact CG-CZ2 3.61Å | ||
| 168 | E | 41 | Very low | 54 | Low | 108 Ų | 108 | 127.6 Ų | 127.6 | 51% | 0.505 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -127 | 60.6 | -174.2 | -150.5 | 160.8 | -171.3 | 0 | 0 | 111.5 | ||
| 169 | S | 46.5 | Very low | 56.8 | Low | 79 Ų | 79 | 126 Ų | 126 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | trans | -158.6 | 30.7 | 157.1 | -76.6 | 0 | 0 | 0 | 0 | 111.8 | E171 N173 | S169-E171 PolarHBondContact O-N 2.91Å; S169-N173 PolarHBondContact O-ND2 2.86Å | ||
| 170 | S | 49.5 | Very low | 59.8 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | 29.2 | -170.5 | -164.3 | 0 | 0 | 0 | 0 | 114.9 | N172 | S170-N172 VanDerWaalsContact C-N 3.35Š|
| 171 | E | 52.6 | Low | 62.5 | Low | 175 Ų | 175 | 118 Ų | 118 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -17 | 165.6 | -66.7 | -170.2 | 163.2 | 0 | 0 | 111.9 | S169 | S169-E171 PolarHBondContact O-N 2.91Š|
| 172 | N | 58.1 | Low | 64.3 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -107.9 | -5.3 | 179 | -64.7 | -34.5 | 0 | 0 | 0 | 114.4 | S170 | S170-N172 VanDerWaalsContact C-N 3.35Š|
| 173 | N | 63.3 | Low | 67.2 | Low | 103 Ų | 103 | 113 Ų | 113 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | trans | -95.7 | 3 | -173.5 | -63.6 | -28.5 | 0 | 0 | 0 | 114.7 | S169 P175 | S169-N173 PolarHBondContact O-ND2 2.86Å; N173-P175 WeakPolarHBondContact O-CD 3.45Å; N173-P175 VanDerWaalsContact O-N 3.15Å | ||
| 174 | V | 73.4 | Confident | 69.7 | Low | 48 Ų | 48 | 107.2 Ų | 107.2 | 29% | 0.291 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -66.5 | 117.2 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | W176 L178 K179 | V174-W176 PolarHBondContact O-N 3.14Å; V174-L178 HydrophobicContact CG1-CB 3.62Å; V174-L178 HydrophobicContact CG1-CD2 3.59Å; V174-L178 HydrophobicContact CG1-CG 3.81Å; V174-K179 HydrophobicContact CB-CG 4.13Å; V174-K179 HydrophobicContact CG1-CG 3.76Å |
| 175 | P | 86.2 | Confident | 72.3 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | trans | -56.1 | 138.9 | -178.4 | 25.5 | -34.9 | 0 | 0 | 0 | 107.9 | N173 S177 L178 K179 | N173-P175 WeakPolarHBondContact O-CD 3.45Å; N173-P175 VanDerWaalsContact O-N 3.15Å; P175-S177 WeakPolarHBondContact CB-OG 3.44Å; P175-S177 PolarHBondContact O-N 3.2Å; P175-L178 HydrophobicContact CG-CB 4Å; P175-L178 PolarHBondContact O-N 2.98Å; P175-K179 PolarHBondContact O-N 2.68Å | ||
| 176 | W | 86.3 | Confident | 75 | Confident | 213 Ų | 213 | 104 Ų | 104 | 81% | 0.807 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -53.2 | -27.5 | -178.7 | -83.6 | 21 | 0 | 0 | 0 | 112.1 | V174 L178 K179 L180 | V174-W176 PolarHBondContact O-N 3.14Å; W176-L178 PolarHBondContact O-N 3.37Å; W176-K179 PolarHBondContact O-N 2.99Å; W176-L180 WeakPolarHBondContact O-CB 3.45Å; W176-L180 WeakPolarHBondContact O-CG 3.34Å; W176-L180 PolarHBondContact O-N 2.68Å |
| 177 | S | 85.5 | Confident | 77.8 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 171.1 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | P175 A181 | P175-S177 WeakPolarHBondContact CB-OG 3.44Å; P175-S177 PolarHBondContact O-N 3.2Å; S177-A181 VanDerWaalsContact O-CB 3.28Å; S177-A181 WeakPolarHBondContact O-CB 3.48Å; S177-A181 PolarHBondContact O-N 3.46Å |
| 178 | L | 91.9 | Very high | 80.4 | Confident | 92 Ų | 92 | 100.6 Ų | 100.6 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 177.3 | -176.1 | 64.7 | 0 | 0 | 0 | 111 | V174 P175 W176 L180 A181 V182 | V174-L178 HydrophobicContact CG1-CB 3.62Å; V174-L178 HydrophobicContact CG1-CD2 3.59Å; V174-L178 HydrophobicContact CG1-CG 3.81Å; P175-L178 HydrophobicContact CG-CB 4Å; P175-L178 PolarHBondContact O-N 2.98Å; W176-L178 PolarHBondContact O-N 3.37Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.2Å; L178-A181 PolarHBondContact O-N 3.27Å; L178-V182 HydrophobicContact CD1-CG2 4.45Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.35Å; L178-V182 PolarHBondContact O-N 3.23Å |
| 179 | K | 91.4 | Very high | 82.9 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 36% | 0.361 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 173.7 | -65 | -168 | 177.3 | -174.8 | 0 | 111.2 | V174 P175 W176 L183 | V174-K179 HydrophobicContact CB-CG 4.13Å; V174-K179 HydrophobicContact CG1-CG 3.76Å; P175-K179 PolarHBondContact O-N 2.68Å; W176-K179 PolarHBondContact O-N 2.99Å; K179-L183 WeakPolarHBondContact O-CB 3.47Å; K179-L183 VanDerWaalsContact O-CG 3.3Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 3.21Å |
| 180 | L | 94.3 | Very high | 85.2 | Confident | 116 Ų | 116 | 99.3 Ų | 99.3 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.6 | -35.7 | 176.7 | -69.6 | 173.8 | 0 | 0 | 0 | 112.7 | W176 L178 G184 | W176-L180 WeakPolarHBondContact O-CB 3.45Å; W176-L180 WeakPolarHBondContact O-CG 3.34Å; W176-L180 PolarHBondContact O-N 2.68Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.2Å; L180-G184 PolarHBondContact O-N 2.9Å |
| 181 | A | 96.1 | Very high | 87.2 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S177 L178 G184 I185 | S177-A181 VanDerWaalsContact O-CB 3.28Å; S177-A181 WeakPolarHBondContact O-CB 3.48Å; S177-A181 PolarHBondContact O-N 3.46Å; L178-A181 PolarHBondContact O-N 3.27Å; A181-G184 PolarHBondContact O-N 2.93Å; A181-I185 WeakPolarHBondContact O-CD1 3.48Å; A181-I185 VanDerWaalsContact O-CG1 3.27Å; A181-I185 WeakPolarHBondContact O-CG1 3.26Å; A181-I185 PolarHBondContact O-N 3.27Å |
| 182 | V | 95.7 | Very high | 89.2 | Confident | 91 Ų | 91 | 97.3 Ų | 97.3 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 176.8 | 174 | 0 | 0 | 0 | 0 | 110.8 | L178 G184 I185 F186 | L178-V182 HydrophobicContact CD1-CG2 4.45Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.35Å; L178-V182 PolarHBondContact O-N 3.23Å; V182-G184 VanDerWaalsContact C-N 3.35Å; V182-G184 PolarHBondContact O-N 2.96Å; V182-I185 PolarHBondContact O-N 2.88Å; V182-F186 WeakPolarHBondContact O-CB 3.21Å; V182-F186 PolarHBondContact O-N 3.27Å |
| 183 | L | 95.8 | Very high | 90.7 | Very high | 89 Ų | 89 | 96.9 Ų | 96.9 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 174.9 | -72.6 | 172.9 | 0 | 0 | 0 | 111.9 | K179 F186 F187 | K179-L183 WeakPolarHBondContact O-CB 3.47Å; K179-L183 VanDerWaalsContact O-CG 3.3Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 3.21Å; L183-F186 WeakPolarHBondContact O-CB 3.49Å; L183-F186 PolarHBondContact O-N 2.93Å; L183-F187 HydrophobicContact CB-CD2 4.49Å; L183-F187 HydrophobicContact CB-CE2 4.32Å; L183-F187 WeakPolarHBondContact O-CD2 3.46Å; L183-F187 PolarHBondContact O-N 3.41Å |
| 184 | G | 96 | Very high | 91.9 | Very high | 28 Ų | 28 | 95.4 Ų | 95.4 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L180 A181 V182 F186 F187 I188 | L180-G184 PolarHBondContact O-N 2.9Å; A181-G184 PolarHBondContact O-N 2.93Å; V182-G184 VanDerWaalsContact C-N 3.35Å; V182-G184 PolarHBondContact O-N 2.96Å; G184-F186 VanDerWaalsContact C-N 3.31Å; G184-F186 PolarHBondContact O-N 3.09Å; G184-F187 PolarHBondContact O-N 3.23Å; G184-I188 WeakPolarHBondContact O-CD1 3.47Å; G184-I188 WeakPolarHBondContact O-CG1 3.35Å; G184-I188 PolarHBondContact O-N 3.17Å |
| 185 | I | 96.8 | Very high | 92.5 | Very high | 108 Ų | 108 | 97.3 Ų | 97.3 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 175.2 | -65.3 | 161.5 | 0 | 0 | 0 | 110.3 | A181 V182 F187 I188 V189 | A181-I185 WeakPolarHBondContact O-CD1 3.48Å; A181-I185 VanDerWaalsContact O-CG1 3.27Å; A181-I185 WeakPolarHBondContact O-CG1 3.26Å; A181-I185 PolarHBondContact O-N 3.27Å; V182-I185 PolarHBondContact O-N 2.88Å; I185-F187 PolarHBondContact O-N 3.36Å; I185-I188 PolarHBondContact O-N 2.97Å; I185-V189 HydrophobicContact CG2-CG2 4.46Å; I185-V189 WeakPolarHBondContact O-CG2 3.35Å; I185-V189 PolarHBondContact O-N 3.26Å |
| 186 | F | 96.7 | Very high | 92.4 | Very high | 128 Ų | 128 | 99.2 Ų | 99.2 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.6 | -46.1 | 177 | -179.8 | -99 | 0 | 0 | 0 | 112.2 | V182 L183 G184 I188 V189 L190 | V182-F186 WeakPolarHBondContact O-CB 3.21Å; V182-F186 PolarHBondContact O-N 3.27Å; L183-F186 WeakPolarHBondContact O-CB 3.49Å; L183-F186 PolarHBondContact O-N 2.93Å; G184-F186 VanDerWaalsContact C-N 3.31Å; G184-F186 PolarHBondContact O-N 3.09Å; F186-I188 VanDerWaalsContact C-N 3.35Å; F186-I188 PolarHBondContact O-N 3.36Å; F186-V189 PolarHBondContact O-N 3.4Å; F186-L190 WeakPolarHBondContact O-CB 3.24Å; F186-L190 PolarHBondContact O-N 2.98Å |
| 187 | F | 95.6 | Very high | 91.9 | Very high | 129 Ų | 129 | 94.3 Ų | 94.3 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -36.4 | 176.2 | -75.7 | -64.3 | 0 | 0 | 0 | 113 | L183 G184 I185 L190 F191 | L183-F187 HydrophobicContact CB-CD2 4.49Å; L183-F187 HydrophobicContact CB-CE2 4.32Å; L183-F187 WeakPolarHBondContact O-CD2 3.46Å; L183-F187 PolarHBondContact O-N 3.41Å; G184-F187 PolarHBondContact O-N 3.23Å; I185-F187 PolarHBondContact O-N 3.36Å; F187-L190 PolarHBondContact O-N 3.26Å; F187-F191 VanDerWaalsContact O-CB 3.23Å; F187-F191 WeakPolarHBondContact O-CB 3Å; F187-F191 PolarHBondContact O-N 3.08Å |
| 188 | I | 95 | Very high | 90.7 | Very high | 107 Ų | 107 | 96.6 Ų | 96.6 | 55% | 0.549 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 176.2 | -68.5 | 162.2 | 0 | 0 | 0 | 110.4 | G184 I185 F186 L190 F191 V192 | G184-I188 WeakPolarHBondContact O-CD1 3.47Å; G184-I188 WeakPolarHBondContact O-CG1 3.35Å; G184-I188 PolarHBondContact O-N 3.17Å; I185-I188 PolarHBondContact O-N 2.97Å; F186-I188 VanDerWaalsContact C-N 3.35Å; F186-I188 PolarHBondContact O-N 3.36Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 3.44Å; I188-F191 PolarHBondContact O-N 3.27Å; I188-V192 WeakPolarHBondContact O-CG2 3.37Å; I188-V192 PolarHBondContact O-N 3.39Å |
| 189 | V | 95.2 | Very high | 89.5 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | I185 F186 F191 V192 Y193 | I185-V189 HydrophobicContact CG2-CG2 4.46Å; I185-V189 WeakPolarHBondContact O-CG2 3.35Å; I185-V189 PolarHBondContact O-N 3.26Å; F186-V189 PolarHBondContact O-N 3.4Å; V189-F191 PolarHBondContact O-N 3.41Å; V189-V192 PolarHBondContact O-N 2.97Å; V189-Y193 WeakPolarHBondContact O-CB 3.49Å; V189-Y193 PolarHBondContact O-N 2.91Å |
| 190 | L | 93.8 | Very high | 87.9 | Confident | 68 Ų | 68 | 100.8 Ų | 100.8 | 36% | 0.356 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.3 | -178.9 | 62.5 | 0 | 0 | 0 | 112 | F186 F187 I188 Y193 I194 | F186-L190 WeakPolarHBondContact O-CB 3.24Å; F186-L190 PolarHBondContact O-N 2.98Å; F187-L190 PolarHBondContact O-N 3.26Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 3.44Å; L190-Y193 PolarHBondContact O-N 3.45Å; L190-I194 HydrophobicContact CD1-CD1 3.98Å; L190-I194 HydrophobicContact CD1-CG1 4.24Å; L190-I194 HydrophobicContact CG-CD1 3.81Å; L190-I194 HydrophobicContact CG-CG1 4.45Å; L190-I194 VanDerWaalsContact O-CB 3.31Å; L190-I194 WeakPolarHBondContact O-CB 3.46Å; L190-I194 WeakPolarHBondContact O-CG1 3.16Å; L190-I194 PolarHBondContact O-N 3.14Å |
| 191 | F | 92.8 | Very high | 86.3 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | 178 | 179.1 | -107.2 | 0 | 0 | 0 | 111.9 | F187 I188 V189 Y193 I194 I195 | F187-F191 VanDerWaalsContact O-CB 3.23Å; F187-F191 WeakPolarHBondContact O-CB 3Å; F187-F191 PolarHBondContact O-N 3.08Å; I188-F191 PolarHBondContact O-N 3.27Å; V189-F191 PolarHBondContact O-N 3.41Å; F191-Y193 VanDerWaalsContact C-N 3.33Å; F191-I194 PolarHBondContact O-N 3.31Å; F191-I195 HydrophobicContact CD1-CD1 3.61Å; F191-I195 HydrophobicContact CD2-CD1 4.16Å; F191-I195 HydrophobicContact CE1-CD1 3.15Å; F191-I195 HydrophobicContact CE1-CG1 4.44Å; F191-I195 HydrophobicContact CE2-CD1 3.75Å; F191-I195 HydrophobicContact CE2-CG1 4.44Å; F191-I195 HydrophobicContact CG-CD1 4.11Å; F191-I195 HydrophobicContact CZ-CD1 3.26Å; F191-I195 HydrophobicContact CZ-CG1 4.36Å; F191-I195 WeakPolarHBondContact O-CB 3.26Å; F191-I195 VanDerWaalsContact O-CG1 3.32Å; F191-I195 WeakPolarHBondContact O-CG1 3.27Å; F191-I195 PolarHBondContact O-N 3.24Å |
| 192 | V | 93.6 | Very high | 84.4 | Confident | 75 Ų | 75 | 109.1 Ų | 109.1 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.6 | -44.6 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | I188 V189 I194 I195 V196 | I188-V192 WeakPolarHBondContact O-CG2 3.37Å; I188-V192 PolarHBondContact O-N 3.39Å; V189-V192 PolarHBondContact O-N 2.97Å; V192-I194 PolarHBondContact O-N 3.41Å; V192-I195 PolarHBondContact O-N 3.5Å; V192-V196 HydrophobicContact CG1-CG2 3.93Å; V192-V196 VanDerWaalsContact O-CB 3.28Å; V192-V196 WeakPolarHBondContact O-CB 3.47Å; V192-V196 WeakPolarHBondContact O-CG2 3.38Å; V192-V196 PolarHBondContact O-N 3.4Å |
| 193 | Y | 90.5 | Very high | 81.9 | Confident | 125 Ų | 125 | 111.5 Ų | 111.5 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.1 | -48.3 | 176.3 | -178.6 | -107.2 | 0 | 0 | 0 | 111.4 | V189 L190 F191 I195 V196 E197 | V189-Y193 WeakPolarHBondContact O-CB 3.49Å; V189-Y193 PolarHBondContact O-N 2.91Å; L190-Y193 PolarHBondContact O-N 3.45Å; F191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-I195 VanDerWaalsContact C-N 3.3Å; Y193-I195 PolarHBondContact O-N 2.89Å; Y193-V196 PolarHBondContact O-N 3.07Å; Y193-E197 HydrophobicContact CD2-CG 4.32Å; Y193-E197 WeakPolarHBondContact CE1-OE2 3.48Å; Y193-E197 HydrophobicContact CE2-CG 3.99Å; Y193-E197 WeakPolarHBondContact CE2-OE1 3.2Å; Y193-E197 WeakPolarHBondContact CE2-OE2 3.44Å; Y193-E197 VanDerWaalsContact O-CB 3.28Å; Y193-E197 WeakPolarHBondContact O-CB 3.3Å; Y193-E197 PolarHBondContact O-N 3.41Å; Y193-E197 PolarHBondContact OH-OE1 3.39Å; Y193-E197 PolarHBondContact OH-OE2 2.73Å |
| 194 | I | 87.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 112.7 Ų | 112.7 | 37% | 0.369 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.7 | -39.6 | 176.5 | -73.6 | 169.7 | 0 | 0 | 0 | 111.4 | L190 F191 V192 K198 | L190-I194 HydrophobicContact CD1-CD1 3.98Å; L190-I194 HydrophobicContact CD1-CG1 4.24Å; L190-I194 HydrophobicContact CG-CD1 3.81Å; L190-I194 HydrophobicContact CG-CG1 4.45Å; L190-I194 VanDerWaalsContact O-CB 3.31Å; L190-I194 WeakPolarHBondContact O-CB 3.46Å; L190-I194 WeakPolarHBondContact O-CG1 3.16Å; L190-I194 PolarHBondContact O-N 3.14Å; F191-I194 PolarHBondContact O-N 3.31Å; V192-I194 PolarHBondContact O-N 3.41Å; I194-K198 HydrophobicContact CG2-CD 4.4Å; I194-K198 VanDerWaalsContact O-CD 3.25Å; I194-K198 WeakPolarHBondContact O-CD 3.42Å; I194-K198 WeakPolarHBondContact O-CE 3.45Å; I194-K198 WeakPolarHBondContact O-CG 3.27Å; I194-K198 PolarHBondContact O-N 3.11Å |
| 195 | I | 84.8 | Confident | 80.4 | Confident | 89 Ų | 89 | 117.1 Ų | 117.1 | 46% | 0.456 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72 | -45.5 | 178.3 | -73.3 | 172 | 0 | 0 | 0 | 112 | F191 V192 Y193 E197 K198 | F191-I195 HydrophobicContact CD1-CD1 3.61Å; F191-I195 HydrophobicContact CD2-CD1 4.16Å; F191-I195 HydrophobicContact CE1-CD1 3.15Å; F191-I195 HydrophobicContact CE1-CG1 4.44Å; F191-I195 HydrophobicContact CE2-CD1 3.75Å; F191-I195 HydrophobicContact CE2-CG1 4.44Å; F191-I195 HydrophobicContact CG-CD1 4.11Å; F191-I195 HydrophobicContact CZ-CD1 3.26Å; F191-I195 HydrophobicContact CZ-CG1 4.36Å; F191-I195 WeakPolarHBondContact O-CB 3.26Å; F191-I195 VanDerWaalsContact O-CG1 3.32Å; F191-I195 WeakPolarHBondContact O-CG1 3.27Å; F191-I195 PolarHBondContact O-N 3.24Å; V192-I195 PolarHBondContact O-N 3.5Å; Y193-I195 VanDerWaalsContact C-N 3.3Å; Y193-I195 PolarHBondContact O-N 2.89Å; I195-E197 VanDerWaalsContact C-N 3.34Å; I195-K198 WeakPolarHBondContact O-CB 3.18Å; I195-K198 PolarHBondContact O-N 3.27Å; I195-K198 VanDerWaalsContact O-N 3.17Å |
| 196 | V | 84.3 | Confident | 79.5 | Confident | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.9 | -37.3 | -178.7 | 170 | 0 | 0 | 0 | 0 | 110.4 | V192 Y193 K198 | V192-V196 HydrophobicContact CG1-CG2 3.93Å; V192-V196 VanDerWaalsContact O-CB 3.28Å; V192-V196 WeakPolarHBondContact O-CB 3.47Å; V192-V196 WeakPolarHBondContact O-CG2 3.38Å; V192-V196 PolarHBondContact O-N 3.4Å; Y193-V196 PolarHBondContact O-N 3.07Å; V196-K198 VanDerWaalsContact C-N 3.31Å |
| 197 | E | 75.9 | Confident | 78.5 | Confident | 111 Ų | 111 | 117 Ų | 117 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | 6.3 | 173 | -73.4 | -168.9 | 166.3 | 0 | 0 | 113.7 | Y193 I195 K199 | Y193-E197 HydrophobicContact CD2-CG 4.32Å; Y193-E197 WeakPolarHBondContact CE1-OE2 3.48Å; Y193-E197 HydrophobicContact CE2-CG 3.99Å; Y193-E197 WeakPolarHBondContact CE2-OE1 3.2Å; Y193-E197 WeakPolarHBondContact CE2-OE2 3.44Å; Y193-E197 VanDerWaalsContact O-CB 3.28Å; Y193-E197 WeakPolarHBondContact O-CB 3.3Å; Y193-E197 PolarHBondContact O-N 3.41Å; Y193-E197 PolarHBondContact OH-OE1 3.39Å; Y193-E197 PolarHBondContact OH-OE2 2.73Å; I195-E197 VanDerWaalsContact C-N 3.34Å; E197-K199 PolarHBondContact O-N 2.99Å |
| 198 | K | 61.5 | Low | 77.5 | Confident | 132 Ų | 132 | 116.3 Ų | 116.3 | 57% | 0.574 | 64% | 0.635 | S | S | * | * | trans | -69.2 | 85.1 | 160.1 | -69.7 | -41.2 | 176.2 | 174.7 | 0 | 108.5 | I194 I195 V196 | I194-K198 HydrophobicContact CG2-CD 4.4Å; I194-K198 VanDerWaalsContact O-CD 3.25Å; I194-K198 WeakPolarHBondContact O-CD 3.42Å; I194-K198 WeakPolarHBondContact O-CE 3.45Å; I194-K198 WeakPolarHBondContact O-CG 3.27Å; I194-K198 PolarHBondContact O-N 3.11Å; I195-K198 WeakPolarHBondContact O-CB 3.18Å; I195-K198 PolarHBondContact O-N 3.27Å; I195-K198 VanDerWaalsContact O-N 3.17Å; V196-K198 VanDerWaalsContact C-N 3.31Å | ||
| 199 | K | 66.9 | Low | 76.3 | Confident | 173 Ų | 173 | 116.9 Ų | 116.9 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | -62.7 | 118.6 | 122 | -63 | -177 | -176.2 | -172.1 | 0 | 104.9 | E197 L201 | E197-K199 PolarHBondContact O-N 2.99Å; K199-L201 PolarHBondContact O-N 3.31Å | |||
| 200 | P | 57.3 | Low | 74.9 | Confident | 89 Ų | 89 | 118.7 Ų | 118.7 | 58% | 0.578 | 65% | 0.647 | S | S | * | * | trans | -58.2 | 114.6 | 172.4 | 26.6 | -31.7 | 0 | 0 | 0 | 105.6 | L202 | P200-L202 PolarHBondContact O-N 3.27Š| ||
| 201 | L | 59.6 | Low | 73.5 | Confident | 174 Ų | 174 | 122.6 Ų | 122.6 | 91% | 0.911 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -69.5 | 19.6 | 173 | -70 | 173.1 | 0 | 0 | 0 | 111.8 | K199 | K199-L201 PolarHBondContact O-N 3.31Š|
| 202 | L | 56.7 | Low | 71.9 | Confident | 166 Ų | 166 | 121.8 Ų | 121.8 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | trans | -146.5 | 93.6 | 177.9 | -80.4 | 161.7 | 0 | 0 | 0 | 106.6 | P200 | P200-L202 PolarHBondContact O-N 3.27Š| ||
| 203 | G | 44 | Very low | 69.9 | Low | 142 Ų | 142 | 126 Ų | 126 | 100% | 1.464 | 70% | 0.697 | S | S | * | * | trans | 163.1 | 0 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 203 of 203 residues in 877.2 ms
(Link to these results)