| 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 | 44.7 | Very low | 77.1 | Confident | 225 Ų | 225 | 95 Ų | 95 | 100% | 1.108 | 54% | 0.537 | S | S | * | . | 0 | 118 | 0 | -67.9 | -102.4 | 171.5 | 0 | 0 | 106.1 | S3 | M1-S3 PolarHBondContact O-N 3.43Š| |||
| 2 | A | 48.2 | Very low | 78.8 | Confident | 96 Ų | 96 | 87.8 Ų | 87.8 | 79% | 0.793 | 50% | 0.496 | S | S | * | . | trans | -63.2 | 120.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | C4 | A2-C4 PolarHBondContact O-N 3.22Š| ||
| 3 | S | 57.8 | Low | 80.2 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 78% | 0.776 | 48% | 0.48 | S | S | * | . | trans | -53.2 | 115.9 | 173.4 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | M1 S5 | M1-S3 PolarHBondContact O-N 3.43Å; S3-S5 PolarHBondContact O-N 3.3Å | ||
| 4 | C | 63.7 | Low | 81.5 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 15% | 0.149 | 49% | 0.493 | C | S | . | . | trans | -59 | 118.5 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | A2 Q8 L56 | A2-C4 PolarHBondContact O-N 3.22Å; C4-Q8 PolarHBondContact SG-OE1 3.3Å; C4-L56 HydrophobicContact CB-CD1 3.63Å; C4-L56 WeakPolarHBondContact SG-CD1 3.36Å | ||
| 5 | S | 81.3 | Confident | 82.6 | Confident | 45 Ų | 45 | 91.9 Ų | 91.9 | 32% | 0.315 | 49% | 0.485 | S | S | . | . | trans | -73.3 | 145.2 | -172.4 | 66.7 | 0 | 0 | 0 | 0 | 109.5 | S3 S7 Q8 V9 | S3-S5 PolarHBondContact O-N 3.3Å; S5-S7 PolarHBondContact O-N 3.44Å; S5-S7 PolarHBondContact OG-OG 3.29Å; S5-Q8 WeakPolarHBondContact O-CB 3.45Å; S5-Q8 PolarHBondContact O-N 2.89Å; S5-Q8 WeakPolarHBondContact OG-CG 3.13Å; S5-Q8 PolarHBondContact OG-N 3.11Å; S5-V9 PolarHBondContact O-N 2.99Å | ||
| 6 | R | 87 | Confident | 83.6 | Confident | 208 Ų | 208 | 86.4 Ų | 86.4 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -48.4 | -32.3 | 173.2 | -175.3 | 177.8 | 178.6 | -126.5 | 2.4 | 112.5 | V9 I10 | R6-V9 PolarHBondContact O-N 3.14Å; R6-I10 HydrophobicContact CG-CD1 4Å; R6-I10 VanDerWaalsContact O-CG1 3.31Å; R6-I10 WeakPolarHBondContact O-CG1 3.36Å; R6-I10 PolarHBondContact O-N 3.36Å; R6-I10 VanDerWaalsContact O-N 3.09Å |
| 7 | S | 90.4 | Very high | 84.5 | Confident | 80 Ų | 80 | 82.6 Ų | 82.6 | 56% | 0.559 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.5 | -36.6 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | S5 I10 S11 | S5-S7 PolarHBondContact O-N 3.44Å; S5-S7 PolarHBondContact OG-OG 3.29Å; S7-I10 PolarHBondContact O-N 3.19Å; S7-S11 VanDerWaalsContact O-CB 3.26Å; S7-S11 WeakPolarHBondContact O-CB 3.4Å; S7-S11 PolarHBondContact O-N 3Å |
| 8 | Q | 90.9 | Very high | 85.2 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.5 | -73.3 | 172.5 | -28.1 | 0 | 0 | 111.4 | C4 S5 S11 L12 | C4-Q8 PolarHBondContact SG-OE1 3.3Å; S5-Q8 WeakPolarHBondContact O-CB 3.45Å; S5-Q8 PolarHBondContact O-N 2.89Å; S5-Q8 WeakPolarHBondContact OG-CG 3.13Å; S5-Q8 PolarHBondContact OG-N 3.11Å; Q8-S11 PolarHBondContact O-N 2.76Å; Q8-L12 WeakPolarHBondContact O-CB 3.4Å; Q8-L12 PolarHBondContact O-N 2.87Å |
| 9 | V | 93.6 | Very high | 85.9 | Confident | 37 Ų | 37 | 82.7 Ų | 82.7 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | 175.8 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | S5 R6 S11 L12 Y13 F40 L56 | S5-V9 PolarHBondContact O-N 2.99Å; R6-V9 PolarHBondContact O-N 3.14Å; V9-S11 VanDerWaalsContact C-N 3.35Å; V9-S11 PolarHBondContact O-N 3.18Å; V9-L12 PolarHBondContact O-N 3.43Å; V9-Y13 PolarHBondContact O-N 3.33Å; V9-F40 HydrophobicContact CG1-CD1 4.48Å; V9-F40 HydrophobicContact CG1-CE1 4.08Å; V9-L56 HydrophobicContact CG1-CD2 4.48Å; V9-L56 HydrophobicContact CG2-CD1 4.36Å; V9-L56 HydrophobicContact CG2-CD2 4.12Å |
| 10 | I | 94.7 | Very high | 86.5 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 32% | 0.318 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 180 | -68.3 | 168.3 | 0 | 0 | 0 | 111.2 | R6 S7 Y13 R14 | R6-I10 HydrophobicContact CG-CD1 4Å; R6-I10 VanDerWaalsContact O-CG1 3.31Å; R6-I10 WeakPolarHBondContact O-CG1 3.36Å; R6-I10 PolarHBondContact O-N 3.36Å; R6-I10 VanDerWaalsContact O-N 3.09Å; S7-I10 PolarHBondContact O-N 3.19Å; I10-Y13 PolarHBondContact O-N 3.09Å; I10-R14 WeakPolarHBondContact O-CG 3.35Å; I10-R14 PolarHBondContact O-N 3.06Å |
| 11 | S | 96.1 | Very high | 87 | Confident | 61 Ų | 61 | 81.3 Ų | 81.3 | 43% | 0.427 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | S7 Q8 V9 Y13 R14 M15 | S7-S11 VanDerWaalsContact O-CB 3.26Å; S7-S11 WeakPolarHBondContact O-CB 3.4Å; S7-S11 PolarHBondContact O-N 3Å; Q8-S11 PolarHBondContact O-N 2.76Å; V9-S11 VanDerWaalsContact C-N 3.35Å; V9-S11 PolarHBondContact O-N 3.18Å; S11-Y13 PolarHBondContact O-N 2.77Å; S11-R14 PolarHBondContact O-N 3.41Å; S11-M15 WeakPolarHBondContact O-CG 3.48Å; S11-M15 PolarHBondContact O-N 3.41Å |
| 12 | L | 97 | Very high | 89.5 | Confident | 8 Ų | 8 | 74.7 Ų | 74.7 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 178.9 | -174.8 | 56 | 0 | 0 | 0 | 112.3 | Q8 V9 R14 M15 L16 L56 A59 R60 L63 | Q8-L12 WeakPolarHBondContact O-CB 3.4Å; Q8-L12 PolarHBondContact O-N 2.87Å; V9-L12 PolarHBondContact O-N 3.43Å; L12-R14 PolarHBondContact O-N 3.35Å; L12-M15 HydrophobicContact CB-CE 4.38Å; L12-M15 HydrophobicContact CD1-CE 3.88Å; L12-M15 PolarHBondContact O-N 2.98Å; L12-L16 HydrophobicContact CG-CD1 4.37Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.29Å; L12-L56 HydrophobicContact CD2-CD2 3.95Å; L12-A59 HydrophobicContact CD2-CB 3.53Å; L12-A59 HydrophobicContact CG-CB 4.16Å; L12-R60 HydrophobicContact CD1-CG 4.26Å; L12-R60 HydrophobicContact CD2-CG 3.97Å; L12-L63 HydrophobicContact CD1-CD2 3.91Å |
| 13 | Y | 97.5 | Very high | 91.7 | Very high | 72 Ų | 72 | 70.9 Ų | 70.9 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.3 | -48.9 | 173.1 | 176.3 | -108.3 | 0 | 0 | 0 | 112.2 | V9 I10 S11 M15 L16 I17 V36 K37 F40 | V9-Y13 PolarHBondContact O-N 3.33Å; I10-Y13 PolarHBondContact O-N 3.09Å; S11-Y13 PolarHBondContact O-N 2.77Å; Y13-M15 VanDerWaalsContact C-N 3.32Å; Y13-M15 PolarHBondContact O-N 2.84Å; Y13-L16 PolarHBondContact O-N 2.91Å; Y13-I17 HydrophobicContact CD1-CG1 4.48Å; Y13-I17 HydrophobicContact CD2-CG1 4.3Å; Y13-I17 HydrophobicContact CE1-CG1 4.04Å; Y13-I17 HydrophobicContact CE2-CD1 4.07Å; Y13-I17 HydrophobicContact CE2-CG1 3.85Å; Y13-I17 WeakPolarHBondContact O-CG1 3.5Å; Y13-I17 PolarHBondContact O-N 2.98Å; Y13-V36 HydrophobicContact CD2-CG1 4.01Å; Y13-V36 HydrophobicContact CE2-CG1 3.95Å; Y13-K37 WeakPolarHBondContact OH-CG 3.22Å; Y13-F40 HydrophobicContact CD2-CB 4Å; Y13-F40 AromaticContact CD2-CD1 3.73Å; Y13-F40 HydrophobicContact CD2-CD1 3.73Å; Y13-F40 AromaticContact CD2-CD2 3.71Å; Y13-F40 HydrophobicContact CD2-CD2 3.71Å; Y13-F40 HydrophobicContact CD2-CE1 4.08Å; Y13-F40 HydrophobicContact CD2-CE2 4.04Å; Y13-F40 AromaticContact CD2-CG 3.52Å; Y13-F40 HydrophobicContact CD2-CG 3.52Å; Y13-F40 HydrophobicContact CD2-CZ 4.21Å; Y13-F40 HydrophobicContact CE2-CB 4.14Å; Y13-F40 HydrophobicContact CE2-CD2 4.33Å; Y13-F40 HydrophobicContact CE2-CG 4.13Å; Y13-F40 HydrophobicContact CG-CD1 4.16Å; Y13-F40 HydrophobicContact CG-CE1 4.28Å; Y13-F40 HydrophobicContact CG-CG 4.39Å |
| 14 | R | 97.9 | Very high | 93.4 | Very high | 176 Ų | 176 | 67.7 Ų | 67.7 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 178.5 | -73.4 | 173.9 | 178 | 178.8 | -0.3 | 111.7 | I10 S11 L12 K18 | I10-R14 WeakPolarHBondContact O-CG 3.35Å; I10-R14 PolarHBondContact O-N 3.06Å; S11-R14 PolarHBondContact O-N 3.41Å; L12-R14 PolarHBondContact O-N 3.35Å; R14-K18 VanDerWaalsContact O-CB 3.26Å; R14-K18 WeakPolarHBondContact O-CB 3.12Å; R14-K18 PolarHBondContact O-N 3.49Å |
| 15 | M | 98.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.7 | -72.8 | -170.1 | -68.2 | 0 | 0 | 111.6 | S11 L12 Y13 K18 E19 L63 | S11-M15 WeakPolarHBondContact O-CG 3.48Å; S11-M15 PolarHBondContact O-N 3.41Å; L12-M15 HydrophobicContact CB-CE 4.38Å; L12-M15 HydrophobicContact CD1-CE 3.88Å; L12-M15 PolarHBondContact O-N 2.98Å; Y13-M15 VanDerWaalsContact C-N 3.32Å; Y13-M15 PolarHBondContact O-N 2.84Å; M15-K18 PolarHBondContact O-N 3.24Å; M15-E19 WeakPolarHBondContact O-CG 3.43Å; M15-E19 PolarHBondContact O-N 2.86Å; M15-L63 HydrophobicContact CB-CD1 4.18Å; M15-L63 HydrophobicContact CB-CD2 3.97Å; M15-L63 HydrophobicContact CE-CD2 4.13Å; M15-L63 HydrophobicContact SD-CD2 4.2Å |
| 16 | L | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 177 | -77.8 | 165.2 | 0 | 0 | 0 | 111.5 | L12 Y13 K18 E19 S20 V36 F40 A59 N62 L63 I66 | L12-L16 HydrophobicContact CG-CD1 4.37Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.29Å; Y13-L16 PolarHBondContact O-N 2.91Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.19Å; L16-E19 PolarHBondContact O-N 3.44Å; L16-S20 WeakPolarHBondContact O-CB 3.28Å; L16-S20 PolarHBondContact O-N 3.27Å; L16-S20 PolarHBondContact O-OG 2.82Å; L16-V36 HydrophobicContact CB-CG1 3.72Å; L16-V36 HydrophobicContact CB-CG2 4.08Å; L16-V36 HydrophobicContact CD1-CG1 4.34Å; L16-V36 HydrophobicContact CD2-CG2 4.48Å; L16-F40 HydrophobicContact CD1-CE2 3.56Å; L16-F40 HydrophobicContact CD1-CZ 3.84Å; L16-A59 HydrophobicContact CD1-CB 4.16Å; L16-N62 HydrophobicContact CD2-CB 4.44Å; L16-L63 HydrophobicContact CD2-CB 3.73Å; L16-L63 HydrophobicContact CD2-CD1 4.04Å; L16-L63 HydrophobicContact CD2-CG 4.5Å; L16-L63 HydrophobicContact CG-CB 4.33Å; L16-L63 HydrophobicContact CG-CD1 4.3Å; L16-I66 HydrophobicContact CD2-CD1 3.68Å |
| 17 | I | 98.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.3 | -66.4 | -64.9 | 0 | 0 | 0 | 111.3 | Y13 S20 K21 L33 V36 K37 | Y13-I17 HydrophobicContact CD1-CG1 4.48Å; Y13-I17 HydrophobicContact CD2-CG1 4.3Å; Y13-I17 HydrophobicContact CE1-CG1 4.04Å; Y13-I17 HydrophobicContact CE2-CD1 4.07Å; Y13-I17 HydrophobicContact CE2-CG1 3.85Å; Y13-I17 WeakPolarHBondContact O-CG1 3.5Å; Y13-I17 PolarHBondContact O-N 2.98Å; I17-S20 PolarHBondContact O-N 3.28Å; I17-K21 WeakPolarHBondContact O-CG 3.4Å; I17-K21 PolarHBondContact O-N 3.06Å; I17-L33 HydrophobicContact CD1-CD2 4.02Å; I17-L33 HydrophobicContact CG2-CD2 4.02Å; I17-V36 HydrophobicContact CD1-CB 4.13Å; I17-V36 HydrophobicContact CD1-CG1 3.67Å; I17-V36 HydrophobicContact CG1-CG1 4.05Å; I17-K37 HydrophobicContact CD1-CG 4.02Å |
| 18 | K | 98.3 | Very high | 95.6 | Very high | 140 Ų | 140 | 67.9 Ų | 67.9 | 61% | 0.609 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.4 | -45.7 | 179.7 | -176.1 | 179.6 | -179.6 | -179.9 | 0 | 111.6 | R14 M15 L16 | R14-K18 VanDerWaalsContact O-CB 3.26Å; R14-K18 WeakPolarHBondContact O-CB 3.12Å; R14-K18 PolarHBondContact O-N 3.49Å; M15-K18 PolarHBondContact O-N 3.24Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.19Å |
| 19 | E | 98.2 | Very high | 95.8 | Very high | 27 Ų | 27 | 66 Ų | 66 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.6 | -39.7 | 179.3 | -64.6 | -55 | 143 | 0 | 0 | 111.7 | M15 L16 K21 K22 L63 I66 K67 | M15-E19 WeakPolarHBondContact O-CG 3.43Å; M15-E19 PolarHBondContact O-N 2.86Å; L16-E19 PolarHBondContact O-N 3.44Å; E19-K21 PolarHBondContact O-N 3.31Å; E19-K22 WeakPolarHBondContact O-CB 3.38Å; E19-K22 PolarHBondContact O-N 3.24Å; E19-K22 IonicContact OE1-NZ 2.99Å; E19-K22 PolarHBondContact OE1-NZ 2.95Å; E19-K22 WeakPolarHBondContact OE2-CD 3.37Å; E19-K22 WeakPolarHBondContact OE2-CE 3.23Å; E19-K22 IonicContact OE2-NZ 4Å; E19-K22 PolarHBondContact OE2-NZ 3.08Å; E19-L63 HydrophobicContact CB-CD1 4.12Å; E19-L63 HydrophobicContact CG-CD1 3.69Å; E19-I66 HydrophobicContact CB-CG2 3.7Å; E19-K67 HydrophobicContact CG-CG 3.9Å |
| 20 | S | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -32.7 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | L16 I17 K22 F23 | L16-S20 WeakPolarHBondContact O-CB 3.28Å; L16-S20 PolarHBondContact O-N 3.27Å; L16-S20 PolarHBondContact O-OG 2.82Å; I17-S20 PolarHBondContact O-N 3.28Å; S20-K22 PolarHBondContact O-N 3.15Å; S20-F23 WeakPolarHBondContact O-CD2 3.39Å; S20-F23 PolarHBondContact O-N 3.42Å |
| 21 | K | 96.8 | Very high | 96 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.5 | 175.4 | -73.3 | -178.1 | -178 | -173.4 | 0 | 113.5 | I17 E19 F23 R29 L33 | I17-K21 WeakPolarHBondContact O-CG 3.4Å; I17-K21 PolarHBondContact O-N 3.06Å; E19-K21 PolarHBondContact O-N 3.31Å; K21-F23 VanDerWaalsContact C-N 3.3Å; K21-F23 PolarHBondContact O-N 3.48Å; K21-R29 WeakPolarHBondContact O-CD 3.44Å; K21-L33 HydrophobicContact CG-CD1 4.2Å; K21-L33 HydrophobicContact CG-CD2 3.92Å |
| 22 | K | 96.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.7 | -176.5 | -59.1 | -178.3 | -168.2 | 167 | 0 | 113.6 | E19 S20 P24 V70 | E19-K22 WeakPolarHBondContact O-CB 3.38Å; E19-K22 PolarHBondContact O-N 3.24Å; E19-K22 IonicContact OE1-NZ 2.99Å; E19-K22 PolarHBondContact OE1-NZ 2.95Å; E19-K22 WeakPolarHBondContact OE2-CD 3.37Å; E19-K22 WeakPolarHBondContact OE2-CE 3.23Å; E19-K22 IonicContact OE2-NZ 4Å; E19-K22 PolarHBondContact OE2-NZ 3.08Å; S20-K22 PolarHBondContact O-N 3.15Å; K22-P24 WeakPolarHBondContact O-CD 3.37Å; K22-V70 HydrophobicContact CB-CG1 3.58Å; K22-V70 HydrophobicContact CB-CG2 4.19Å; K22-V70 HydrophobicContact CD-CG1 4.47Å |
| 23 | F | 95.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 69 Ų | 69 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | trans | -59.7 | 125.3 | 174.1 | -86.2 | -64 | 0 | 0 | 0 | 110.2 | S20 K21 R29 A32 I66 Q69 V70 | S20-F23 WeakPolarHBondContact O-CD2 3.39Å; S20-F23 PolarHBondContact O-N 3.42Å; K21-F23 VanDerWaalsContact C-N 3.3Å; K21-F23 PolarHBondContact O-N 3.48Å; F23-R29 HydrophobicContact CB-CB 3.8Å; F23-R29 PolarHBondContact O-NH1 2.95Å; F23-A32 HydrophobicContact CD2-CB 4.1Å; F23-A32 HydrophobicContact CE2-CB 3.91Å; F23-I66 HydrophobicContact CE2-CB 4.48Å; F23-I66 HydrophobicContact CE2-CG1 4.37Å; F23-I66 HydrophobicContact CE2-CG2 3.78Å; F23-I66 HydrophobicContact CZ-CG2 4.19Å; F23-Q69 HydrophobicContact CE1-CB 3.58Å; F23-Q69 HydrophobicContact CZ-CB 3.73Å; F23-V70 HydrophobicContact CD1-CG2 3.78Å; F23-V70 HydrophobicContact CD2-CG2 4Å; F23-V70 HydrophobicContact CE1-CG2 3.82Å; F23-V70 HydrophobicContact CE2-CG2 4.04Å; F23-V70 HydrophobicContact CG-CG2 3.86Å; F23-V70 HydrophobicContact CZ-CG2 3.94Å | ||
| 24 | P | 92.2 | Very high | 96.2 | Very high | 45 Ų | 45 | 73 Ų | 73 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -70.7 | -39.3 | 177.9 | 22.4 | -27 | 0 | 0 | 0 | 111.5 | K22 Y26 R29 G73 T77 | K22-P24 WeakPolarHBondContact O-CD 3.37Å; P24-Y26 PolarHBondContact O-N 3.27Å; P24-R29 PolarHBondContact O-NH1 2.97Å; P24-G73 WeakPolarHBondContact CG-O 3.19Å; P24-T77 HydrophobicContact CB-CG2 4.29Å; P24-T77 HydrophobicContact CG-CG2 4.45Å |
| 25 | S | 91.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -66.6 | 124.8 | 174.5 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | N27 Y28 R29 | S25-N27 VanDerWaalsContact C-N 3.32Å; S25-N27 PolarHBondContact O-N 3.41Å; S25-Y28 PolarHBondContact O-N 2.88Å; S25-R29 VanDerWaalsContact O-CB 3.27Å; S25-R29 WeakPolarHBondContact O-CB 3.41Å; S25-R29 PolarHBondContact O-N 3.48Å |
| 26 | Y | 91.1 | Very high | 96.1 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.6 | -45.2 | 174.7 | 174.8 | -96.2 | 0 | 0 | 0 | 112.9 | P24 Y28 R29 T30 V83 E84 | P24-Y26 PolarHBondContact O-N 3.27Å; Y26-Y28 PolarHBondContact O-N 2.89Å; Y26-R29 PolarHBondContact O-N 3.5Å; Y26-T30 HydrophobicContact CD1-CG2 4.3Å; Y26-T30 HydrophobicContact CD2-CG2 3.91Å; Y26-T30 HydrophobicContact CE1-CG2 3.99Å; Y26-T30 HydrophobicContact CE2-CG2 3.55Å; Y26-T30 HydrophobicContact CG-CG2 4.26Å; Y26-T30 WeakPolarHBondContact O-CB 3.38Å; Y26-T30 WeakPolarHBondContact O-CG2 3.42Å; Y26-T30 PolarHBondContact O-N 3.1Å; Y26-T30 PolarHBondContact O-OG1 3.29Å; Y26-V83 HydrophobicContact CE1-CG1 3.96Å; Y26-E84 VanDerWaalsContact CB-CD 3.44Å; Y26-E84 WeakPolarHBondContact CB-OE1 3.26Å; Y26-E84 HydrophobicContact CD2-CG 3.86Å; Y26-E84 HydrophobicContact CG-CG 3.95Å |
| 27 | N | 92.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | -178.1 | -67 | -22 | 0 | 0 | 0 | 110.9 | S25 T30 Y31 | S25-N27 VanDerWaalsContact C-N 3.32Å; S25-N27 PolarHBondContact O-N 3.41Å; N27-T30 PolarHBondContact O-OG1 3.23Å; N27-Y31 WeakPolarHBondContact O-CB 3.31Å; N27-Y31 PolarHBondContact O-N 2.91Å |
| 28 | Y | 94.4 | Very high | 96.1 | Very high | 145 Ų | 145 | 73 Ų | 73 | 57% | 0.569 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.4 | -41.3 | 178.5 | -62.7 | -22.2 | 0 | 0 | 0 | 112.3 | S25 Y26 A32 | S25-Y28 PolarHBondContact O-N 2.88Å; Y26-Y28 PolarHBondContact O-N 2.89Å; Y28-A32 WeakPolarHBondContact O-CB 3.37Å; Y28-A32 PolarHBondContact O-N 3.26Å |
| 29 | R | 95.3 | Very high | 96 | Very high | 59 Ų | 59 | 68.1 Ų | 68.1 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -52.1 | 176.6 | -177.8 | 167.5 | 61.5 | -108.8 | 5 | 111.4 | K21 F23 P24 S25 Y26 L33 E84 | K21-R29 WeakPolarHBondContact O-CD 3.44Å; F23-R29 HydrophobicContact CB-CB 3.8Å; F23-R29 PolarHBondContact O-NH1 2.95Å; P24-R29 PolarHBondContact O-NH1 2.97Å; S25-R29 VanDerWaalsContact O-CB 3.27Å; S25-R29 WeakPolarHBondContact O-CB 3.41Å; S25-R29 PolarHBondContact O-N 3.48Å; Y26-R29 PolarHBondContact O-N 3.5Å; R29-L33 HydrophobicContact CG-CD1 4.12Å; R29-L33 WeakPolarHBondContact O-CB 3.49Å; R29-L33 WeakPolarHBondContact O-CD1 3.41Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 3.49Å; R29-L33 VanDerWaalsContact O-N 3.08Å; R29-E84 IonicContact NH2-OE2 2.72Å; R29-E84 PolarHBondContact NH2-OE2 3.25Å |
| 30 | T | 95.6 | Very high | 95.9 | Very high | 54 Ų | 54 | 69 Ų | 69 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | -178.4 | 53.4 | 0 | 0 | 0 | 0 | 112 | Y26 N27 R34 | Y26-T30 HydrophobicContact CD1-CG2 4.3Å; Y26-T30 HydrophobicContact CD2-CG2 3.91Å; Y26-T30 HydrophobicContact CE1-CG2 3.99Å; Y26-T30 HydrophobicContact CE2-CG2 3.55Å; Y26-T30 HydrophobicContact CG-CG2 4.26Å; Y26-T30 WeakPolarHBondContact O-CB 3.38Å; Y26-T30 WeakPolarHBondContact O-CG2 3.42Å; Y26-T30 PolarHBondContact O-N 3.1Å; Y26-T30 PolarHBondContact O-OG1 3.29Å; N27-T30 PolarHBondContact O-OG1 3.23Å; T30-R34 WeakPolarHBondContact O-CB 3.26Å; T30-R34 PolarHBondContact O-N 3.05Å |
| 31 | Y | 96.8 | Very high | 95.8 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -51.3 | 175.8 | 171.9 | -103.4 | 0 | 0 | 0 | 111.9 | N27 L33 R34 R35 | N27-Y31 WeakPolarHBondContact O-CB 3.31Å; N27-Y31 PolarHBondContact O-N 2.91Å; Y31-L33 VanDerWaalsContact C-N 3.34Å; Y31-L33 PolarHBondContact O-N 2.98Å; Y31-R34 PolarHBondContact O-N 3.31Å; Y31-R35 HydrophobicContact CE2-CB 4.44Å; Y31-R35 WeakPolarHBondContact O-CB 3.39Å; Y31-R35 PolarHBondContact O-N 3.3Å |
| 32 | A | 97.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 77.1 Ų | 77.1 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F23 Y28 R34 R35 V36 | F23-A32 HydrophobicContact CD2-CB 4.1Å; F23-A32 HydrophobicContact CE2-CB 3.91Å; Y28-A32 WeakPolarHBondContact O-CB 3.37Å; Y28-A32 PolarHBondContact O-N 3.26Å; A32-R34 PolarHBondContact O-N 2.72Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-V36 WeakPolarHBondContact O-CB 3.16Å; A32-V36 VanDerWaalsContact O-CG2 3.23Å; A32-V36 WeakPolarHBondContact O-CG2 3.22Å; A32-V36 PolarHBondContact O-N 3.38Å |
| 33 | L | 98.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 75.6 Ų | 75.6 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 176 | -74.5 | 170.7 | 0 | 0 | 0 | 112.6 | I17 K21 R29 Y31 K37 | I17-L33 HydrophobicContact CD1-CD2 4.02Å; I17-L33 HydrophobicContact CG2-CD2 4.02Å; K21-L33 HydrophobicContact CG-CD1 4.2Å; K21-L33 HydrophobicContact CG-CD2 3.92Å; R29-L33 HydrophobicContact CG-CD1 4.12Å; R29-L33 WeakPolarHBondContact O-CB 3.49Å; R29-L33 WeakPolarHBondContact O-CD1 3.41Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 3.49Å; R29-L33 VanDerWaalsContact O-N 3.08Å; Y31-L33 VanDerWaalsContact C-N 3.34Å; Y31-L33 PolarHBondContact O-N 2.98Å; L33-K37 VanDerWaalsContact O-CG 3.28Å; L33-K37 WeakPolarHBondContact O-CG 3.19Å; L33-K37 PolarHBondContact O-N 2.91Å; L33-K37 VanDerWaalsContact O-N 3.15Å |
| 34 | R | 98.1 | Very high | 95.4 | Very high | 155 Ų | 155 | 80.7 Ų | 80.7 | 59% | 0.585 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.8 | -52 | 176.8 | 179.8 | 174.2 | 66.5 | -176.6 | 1.3 | 110.6 | T30 Y31 A32 V36 K37 D38 | T30-R34 WeakPolarHBondContact O-CB 3.26Å; T30-R34 PolarHBondContact O-N 3.05Å; Y31-R34 PolarHBondContact O-N 3.31Å; A32-R34 PolarHBondContact O-N 2.72Å; R34-V36 VanDerWaalsContact C-N 3.33Å; R34-V36 PolarHBondContact O-N 2.75Å; R34-K37 WeakPolarHBondContact O-CB 3.44Å; R34-K37 PolarHBondContact O-N 2.82Å; R34-D38 WeakPolarHBondContact CG-OD2 3.36Å; R34-D38 VanDerWaalsContact O-CG 3.24Å; R34-D38 PolarHBondContact O-N 3.05Å |
| 35 | R | 97.7 | Very high | 95.3 | Very high | 121 Ų | 121 | 85.7 Ų | 85.7 | 46% | 0.457 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | -177.2 | -175 | 57.2 | 177.7 | 157 | 0.6 | 112.7 | Y31 A32 S39 E42 | Y31-R35 HydrophobicContact CE2-CB 4.44Å; Y31-R35 WeakPolarHBondContact O-CB 3.39Å; Y31-R35 PolarHBondContact O-N 3.3Å; A32-R35 PolarHBondContact O-N 3.26Å; R35-S39 WeakPolarHBondContact O-CB 3.5Å; R35-S39 PolarHBondContact O-N 3.07Å; R35-E42 IonicContact NH1-OE1 2.75Å; R35-E42 IonicContact NH1-OE2 3.85Å |
| 36 | V | 97.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 85.7 Ų | 85.7 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | Y13 L16 I17 A32 R34 F40 I66 | Y13-V36 HydrophobicContact CD2-CG1 4.01Å; Y13-V36 HydrophobicContact CE2-CG1 3.95Å; L16-V36 HydrophobicContact CB-CG1 3.72Å; L16-V36 HydrophobicContact CB-CG2 4.08Å; L16-V36 HydrophobicContact CD1-CG1 4.34Å; L16-V36 HydrophobicContact CD2-CG2 4.48Å; I17-V36 HydrophobicContact CD1-CB 4.13Å; I17-V36 HydrophobicContact CD1-CG1 3.67Å; I17-V36 HydrophobicContact CG1-CG1 4.05Å; A32-V36 WeakPolarHBondContact O-CB 3.16Å; A32-V36 VanDerWaalsContact O-CG2 3.23Å; A32-V36 WeakPolarHBondContact O-CG2 3.22Å; A32-V36 PolarHBondContact O-N 3.38Å; R34-V36 VanDerWaalsContact C-N 3.33Å; R34-V36 PolarHBondContact O-N 2.75Å; V36-F40 HydrophobicContact CG1-CD2 4.2Å; V36-F40 HydrophobicContact CG1-CE2 4.27Å; V36-F40 WeakPolarHBondContact O-CD2 3.27Å; V36-F40 PolarHBondContact O-N 3.22Å; V36-I66 HydrophobicContact CG2-CD1 4.47Å |
| 37 | K | 97.8 | Very high | 95 | Very high | 90 Ų | 90 | 89.1 Ų | 89.1 | 39% | 0.391 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 177.7 | -75.4 | 174.6 | 179.1 | -176.5 | 0 | 111.9 | Y13 I17 L33 R34 F40 R41 | Y13-K37 WeakPolarHBondContact OH-CG 3.22Å; I17-K37 HydrophobicContact CD1-CG 4.02Å; L33-K37 VanDerWaalsContact O-CG 3.28Å; L33-K37 WeakPolarHBondContact O-CG 3.19Å; L33-K37 PolarHBondContact O-N 2.91Å; L33-K37 VanDerWaalsContact O-N 3.15Å; R34-K37 WeakPolarHBondContact O-CB 3.44Å; R34-K37 PolarHBondContact O-N 2.82Å; K37-F40 PolarHBondContact O-N 3.31Å; K37-R41 VanDerWaalsContact O-CG 3.31Å; K37-R41 WeakPolarHBondContact O-CG 3.46Å; K37-R41 PolarHBondContact O-N 2.97Å |
| 38 | D | 97.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 88.6 Ų | 88.6 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.4 | -46.3 | -175.7 | -62.7 | -16.5 | 0 | 0 | 0 | 110.4 | R34 F40 R41 E42 | R34-D38 WeakPolarHBondContact CG-OD2 3.36Å; R34-D38 VanDerWaalsContact O-CG 3.24Å; R34-D38 PolarHBondContact O-N 3.05Å; D38-F40 VanDerWaalsContact C-N 3.33Å; D38-F40 PolarHBondContact O-N 2.81Å; D38-R41 WeakPolarHBondContact O-CB 3.3Å; D38-R41 PolarHBondContact O-N 2.95Å; D38-E42 WeakPolarHBondContact O-CB 3.24Å; D38-E42 VanDerWaalsContact O-CG 3.27Å; D38-E42 WeakPolarHBondContact O-CG 3.4Å; D38-E42 PolarHBondContact O-N 2.83Å |
| 39 | S | 96.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 86 Ų | 86 | 26% | 0.259 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 113.1 | R35 N43 | R35-S39 WeakPolarHBondContact O-CB 3.5Å; R35-S39 PolarHBondContact O-N 3.07Å; S39-N43 PolarHBondContact O-N 3.3Å; S39-N43 PolarHBondContact O-ND2 3.46Å |
| 40 | F | 95.7 | Very high | 94.4 | Very high | 45 Ų | 45 | 91.4 Ų | 91.4 | 20% | 0.197 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.9 | -30 | 175.9 | -85.5 | -103.4 | 0 | 0 | 0 | 112.9 | V9 Y13 L16 V36 K37 D38 L44 A59 | V9-F40 HydrophobicContact CG1-CD1 4.48Å; V9-F40 HydrophobicContact CG1-CE1 4.08Å; Y13-F40 HydrophobicContact CD2-CB 4Å; Y13-F40 AromaticContact CD2-CD1 3.73Å; Y13-F40 HydrophobicContact CD2-CD1 3.73Å; Y13-F40 AromaticContact CD2-CD2 3.71Å; Y13-F40 HydrophobicContact CD2-CD2 3.71Å; Y13-F40 HydrophobicContact CD2-CE1 4.08Å; Y13-F40 HydrophobicContact CD2-CE2 4.04Å; Y13-F40 AromaticContact CD2-CG 3.52Å; Y13-F40 HydrophobicContact CD2-CG 3.52Å; Y13-F40 HydrophobicContact CD2-CZ 4.21Å; Y13-F40 HydrophobicContact CE2-CB 4.14Å; Y13-F40 HydrophobicContact CE2-CD2 4.33Å; Y13-F40 HydrophobicContact CE2-CG 4.13Å; Y13-F40 HydrophobicContact CG-CD1 4.16Å; Y13-F40 HydrophobicContact CG-CE1 4.28Å; Y13-F40 HydrophobicContact CG-CG 4.39Å; L16-F40 HydrophobicContact CD1-CE2 3.56Å; L16-F40 HydrophobicContact CD1-CZ 3.84Å; V36-F40 HydrophobicContact CG1-CD2 4.2Å; V36-F40 HydrophobicContact CG1-CE2 4.27Å; V36-F40 WeakPolarHBondContact O-CD2 3.27Å; V36-F40 PolarHBondContact O-N 3.22Å; K37-F40 PolarHBondContact O-N 3.31Å; D38-F40 VanDerWaalsContact C-N 3.33Å; D38-F40 PolarHBondContact O-N 2.81Å; F40-L44 PolarHBondContact O-N 3.28Å; F40-A59 HydrophobicContact CZ-CB 4.45Å |
| 41 | R | 96 | Very high | 94.2 | Very high | 177 Ų | 177 | 91.1 Ų | 91.1 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72 | -43.5 | 174.2 | -75.2 | 172.6 | 172.6 | -176.9 | -5.8 | 111.8 | K37 D38 N43 L44 | K37-R41 VanDerWaalsContact O-CG 3.31Å; K37-R41 WeakPolarHBondContact O-CG 3.46Å; K37-R41 PolarHBondContact O-N 2.97Å; D38-R41 WeakPolarHBondContact O-CB 3.3Å; D38-R41 PolarHBondContact O-N 2.95Å; R41-N43 PolarHBondContact O-N 2.87Å; R41-L44 WeakPolarHBondContact O-CB 3.3Å; R41-L44 PolarHBondContact O-N 3.44Å |
| 42 | E | 95.9 | Very high | 94 | Very high | 130 Ų | 130 | 87.2 Ų | 87.2 | 61% | 0.607 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.7 | -32.4 | 176.3 | -73.7 | 165.5 | -168.3 | 0 | 0 | 111.9 | R35 D38 | R35-E42 IonicContact NH1-OE1 2.75Å; R35-E42 IonicContact NH1-OE2 3.85Å; D38-E42 WeakPolarHBondContact O-CB 3.24Å; D38-E42 VanDerWaalsContact O-CG 3.27Å; D38-E42 WeakPolarHBondContact O-CG 3.4Å; D38-E42 PolarHBondContact O-N 2.83Å |
| 43 | N | 94.3 | Very high | 93.7 | Very high | 54 Ų | 54 | 89.3 Ų | 89.3 | 29% | 0.289 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 19.6 | -176.2 | -66.4 | -80.9 | 0 | 0 | 0 | 114 | S39 R41 H45 V46 L55 | S39-N43 PolarHBondContact O-N 3.3Å; S39-N43 PolarHBondContact O-ND2 3.46Å; R41-N43 PolarHBondContact O-N 2.87Å; N43-H45 VanDerWaalsContact C-N 3.26Å; N43-H45 PolarHBondContact O-N 3.35Å; N43-V46 HydrophobicContact CB-CG2 3.9Å; N43-L55 HydrophobicContact CB-CD1 3.97Å; N43-L55 VanDerWaalsContact OD1-CD1 3.26Å; N43-L55 WeakPolarHBondContact OD1-CD1 3.48Å |
| 44 | L | 90.1 | Very high | 93.5 | Very high | 122 Ų | 122 | 93.1 Ų | 93.1 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28 | -174.5 | -164 | 120.7 | 0 | 0 | 0 | 113.8 | F40 R41 | F40-L44 PolarHBondContact O-N 3.28Å; R41-L44 WeakPolarHBondContact O-CB 3.3Å; R41-L44 PolarHBondContact O-N 3.44Å |
| 45 | H | 90.1 | Very high | 93.4 | Very high | 151 Ų | 151 | 87.4 Ų | 87.4 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 28.1 | -174.9 | -57.7 | -71.8 | 0 | 0 | 0 | 112.7 | N43 D47 | N43-H45 VanDerWaalsContact C-N 3.26Å; N43-H45 PolarHBondContact O-N 3.35Å; H45-D47 PolarHBondContact O-N 3.19Å |
| 46 | V | 90.2 | Very high | 93.2 | Very high | 40 Ų | 40 | 82 Ų | 82 | 24% | 0.242 | 41% | 0.409 | C | S | . | . | trans | -76.5 | 106.9 | 175.7 | 175 | 0 | 0 | 0 | 0 | 109.4 | N43 T51 L55 | N43-V46 HydrophobicContact CB-CG2 3.9Å; V46-T51 HydrophobicContact CG1-CG2 3.77Å; V46-L55 HydrophobicContact CG1-CD1 4.32Å; V46-L55 HydrophobicContact CG2-CD1 4.04Å | ||
| 47 | D | 86.3 | Confident | 93.1 | Very high | 151 Ų | 151 | 85 Ų | 85 | 81% | 0.807 | 43% | 0.425 | S | S | * | . | trans | -91.1 | -19.2 | -178.3 | -62.1 | -37.4 | 0 | 0 | 0 | 113.3 | H45 P49 | H45-D47 PolarHBondContact O-N 3.19Å; D47-P49 VanDerWaalsContact O-CD 3.26Å; D47-P49 WeakPolarHBondContact O-CD 3.37Å | ||
| 48 | N | 91.2 | Very high | 93 | Very high | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | trans | -75.6 | 116.8 | -179.7 | -176.8 | -17.8 | 0 | 0 | 0 | 110.8 | K50 T51 L52 | N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 2.92Å; N48-K50 PolarHBondContact OD1-N 3.08Å; N48-T51 PolarHBondContact ND2-OG1 3.24Å; N48-T51 PolarHBondContact O-N 2.95Å; N48-T51 VanDerWaalsContact O-N 3.15Å; N48-L52 PolarHBondContact O-N 3.21Å | ||
| 49 | P | 88.3 | Confident | 93 | Very high | 90 Ų | 90 | 83.1 Ų | 83.1 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60 | -35.7 | -177.6 | -24.6 | 35.1 | 0 | 0 | 0 | 113.8 | D47 L52 D53 | D47-P49 VanDerWaalsContact O-CD 3.26Å; D47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-L52 PolarHBondContact O-N 3.49Å; P49-D53 PolarHBondContact O-N 3.42Å |
| 50 | K | 90.8 | Very high | 93 | Very high | 173 Ų | 173 | 86.8 Ų | 86.8 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.7 | -40.7 | 179.1 | -67.8 | -175.5 | 177.6 | -179.7 | 0 | 111.5 | N48 D53 M54 | N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 2.92Å; N48-K50 PolarHBondContact OD1-N 3.08Å; K50-D53 PolarHBondContact O-N 2.99Å; K50-M54 PolarHBondContact O-N 3.45Å; K50-M54 VanDerWaalsContact O-N 3.09Å |
| 51 | T | 91.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 90.8 Ų | 90.8 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 177 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | V46 N48 M54 L55 | V46-T51 HydrophobicContact CG1-CG2 3.77Å; N48-T51 PolarHBondContact ND2-OG1 3.24Å; N48-T51 PolarHBondContact O-N 2.95Å; N48-T51 VanDerWaalsContact O-N 3.15Å; T51-M54 HydrophobicContact CG2-CE 4.45Å; T51-M54 PolarHBondContact O-N 3.46Å; T51-L55 HydrophobicContact CG2-CD1 4.07Å; T51-L55 HydrophobicContact CG2-CG 4.49Å; T51-L55 VanDerWaalsContact O-CG 3.28Å; T51-L55 WeakPolarHBondContact O-CG 3.31Å; T51-L55 PolarHBondContact O-N 3.26Å |
| 52 | L | 91.3 | Very high | 93.2 | Very high | 51 Ų | 51 | 85.8 Ų | 85.8 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 175.3 | -179.8 | 62.9 | 0 | 0 | 0 | 111.7 | N48 P49 M54 L55 L56 | N48-L52 PolarHBondContact O-N 3.21Å; P49-L52 PolarHBondContact O-N 3.49Å; L52-M54 VanDerWaalsContact C-N 3.33Å; L52-M54 PolarHBondContact O-N 3.24Å; L52-L55 PolarHBondContact O-N 3.26Å; L52-L56 HydrophobicContact CD1-CD1 4.08Å; L52-L56 HydrophobicContact CD1-CG 4.24Å; L52-L56 HydrophobicContact CG-CD1 3.94Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3.42Å |
| 53 | D | 91.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.6 | -79.9 | -19.7 | 0 | 0 | 0 | 112.1 | P49 K50 L56 N57 | P49-D53 PolarHBondContact O-N 3.42Å; K50-D53 PolarHBondContact O-N 2.99Å; D53-L56 PolarHBondContact O-N 2.94Å; D53-N57 VanDerWaalsContact O-CG 3.3Å; D53-N57 PolarHBondContact O-N 3.34Å; D53-N57 PolarHBondContact O-ND2 2.96Å |
| 54 | M | 94.3 | Very high | 93.6 | Very high | 114 Ų | 114 | 79.5 Ų | 79.5 | 56% | 0.562 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.4 | -49 | 175.2 | -176.7 | -176.4 | 71.6 | 0 | 0 | 111.7 | K50 T51 L52 L56 N57 Q58 | K50-M54 PolarHBondContact O-N 3.45Å; K50-M54 VanDerWaalsContact O-N 3.09Å; T51-M54 HydrophobicContact CG2-CE 4.45Å; T51-M54 PolarHBondContact O-N 3.46Å; L52-M54 VanDerWaalsContact C-N 3.33Å; L52-M54 PolarHBondContact O-N 3.24Å; M54-L56 VanDerWaalsContact C-N 3.29Å; M54-L56 PolarHBondContact O-N 3.3Å; M54-N57 PolarHBondContact O-N 3.48Å; M54-Q58 PolarHBondContact O-N 2.94Å |
| 55 | L | 95.2 | Very high | 93.9 | Very high | 34 Ų | 34 | 76.7 Ų | 76.7 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 178.9 | -71.4 | 167.5 | 0 | 0 | 0 | 112.1 | N43 V46 T51 L52 Q58 A59 | N43-L55 HydrophobicContact CB-CD1 3.97Å; N43-L55 VanDerWaalsContact OD1-CD1 3.26Å; N43-L55 WeakPolarHBondContact OD1-CD1 3.48Å; V46-L55 HydrophobicContact CG1-CD1 4.32Å; V46-L55 HydrophobicContact CG2-CD1 4.04Å; T51-L55 HydrophobicContact CG2-CD1 4.07Å; T51-L55 HydrophobicContact CG2-CG 4.49Å; T51-L55 VanDerWaalsContact O-CG 3.28Å; T51-L55 WeakPolarHBondContact O-CG 3.31Å; T51-L55 PolarHBondContact O-N 3.26Å; L52-L55 PolarHBondContact O-N 3.26Å; L55-Q58 PolarHBondContact O-N 2.87Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.28Å |
| 56 | L | 94.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 177.6 | -72.2 | 171.3 | 0 | 0 | 0 | 112.7 | C4 V9 L12 L52 D53 M54 A59 R60 | C4-L56 HydrophobicContact CB-CD1 3.63Å; C4-L56 WeakPolarHBondContact SG-CD1 3.36Å; V9-L56 HydrophobicContact CG1-CD2 4.48Å; V9-L56 HydrophobicContact CG2-CD1 4.36Å; V9-L56 HydrophobicContact CG2-CD2 4.12Å; L12-L56 HydrophobicContact CD2-CD2 3.95Å; L52-L56 HydrophobicContact CD1-CD1 4.08Å; L52-L56 HydrophobicContact CD1-CG 4.24Å; L52-L56 HydrophobicContact CG-CD1 3.94Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3.42Å; D53-L56 PolarHBondContact O-N 2.94Å; M54-L56 VanDerWaalsContact C-N 3.29Å; M54-L56 PolarHBondContact O-N 3.3Å; L56-A59 PolarHBondContact O-N 3.43Å; L56-R60 VanDerWaalsContact O-CG 3.32Å; L56-R60 WeakPolarHBondContact O-CG 3.32Å; L56-R60 PolarHBondContact O-N 2.96Å |
| 57 | N | 95.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 73 Ų | 73 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 172.3 | -71.9 | -22.1 | 0 | 0 | 0 | 110.7 | D53 M54 A59 R60 E61 | D53-N57 VanDerWaalsContact O-CG 3.3Å; D53-N57 PolarHBondContact O-N 3.34Å; D53-N57 PolarHBondContact O-ND2 2.96Å; M54-N57 PolarHBondContact O-N 3.48Å; N57-A59 VanDerWaalsContact C-N 3.3Å; N57-A59 PolarHBondContact O-N 3.45Å; N57-R60 WeakPolarHBondContact O-CB 3.4Å; N57-R60 PolarHBondContact O-N 3.33Å; N57-R60 VanDerWaalsContact O-N 3.11Å; N57-R60 PolarHBondContact OD1-NH1 3.07Å; N57-E61 WeakPolarHBondContact O-CG 3.41Å; N57-E61 PolarHBondContact O-N 3.45Å |
| 58 | Q | 96.6 | Very high | 95.3 | Very high | 97 Ų | 97 | 72.5 Ų | 72.5 | 45% | 0.453 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 173.7 | -172 | -177.8 | 3.5 | 0 | 0 | 112 | M54 L55 R60 E61 N62 | M54-Q58 PolarHBondContact O-N 2.94Å; L55-Q58 PolarHBondContact O-N 2.87Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.36Å; Q58-E61 PolarHBondContact O-N 3.29Å; Q58-N62 WeakPolarHBondContact O-CB 3.5Å; Q58-N62 PolarHBondContact O-N 2.86Å; Q58-N62 PolarHBondContact O-ND2 3.1Å |
| 59 | A | 96.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 L16 F40 L55 L56 N57 L63 | L12-A59 HydrophobicContact CD2-CB 3.53Å; L12-A59 HydrophobicContact CG-CB 4.16Å; L16-A59 HydrophobicContact CD1-CB 4.16Å; F40-A59 HydrophobicContact CZ-CB 4.45Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.28Å; L56-A59 PolarHBondContact O-N 3.43Å; N57-A59 VanDerWaalsContact C-N 3.3Å; N57-A59 PolarHBondContact O-N 3.45Å; A59-L63 WeakPolarHBondContact O-CB 3.36Å; A59-L63 PolarHBondContact O-N 2.93Å |
| 60 | R | 97.6 | Very high | 96 | Very high | 113 Ų | 113 | 68.6 Ų | 68.6 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 173.5 | -71.2 | 170.7 | -175.8 | 126 | 2.7 | 111.7 | L12 L56 N57 Q58 L63 A64 | L12-R60 HydrophobicContact CD1-CG 4.26Å; L12-R60 HydrophobicContact CD2-CG 3.97Å; L56-R60 VanDerWaalsContact O-CG 3.32Å; L56-R60 WeakPolarHBondContact O-CG 3.32Å; L56-R60 PolarHBondContact O-N 2.96Å; N57-R60 WeakPolarHBondContact O-CB 3.4Å; N57-R60 PolarHBondContact O-N 3.33Å; N57-R60 VanDerWaalsContact O-N 3.11Å; N57-R60 PolarHBondContact OD1-NH1 3.07Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.36Å; R60-L63 WeakPolarHBondContact O-CB 3.26Å; R60-L63 PolarHBondContact O-N 2.97Å; R60-A64 PolarHBondContact O-N 3.47Å; R60-A64 VanDerWaalsContact O-N 3.1Å |
| 61 | E | 98.2 | Very high | 96.3 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 174.7 | -70.9 | 173.7 | -175.3 | 0 | 0 | 111.2 | N57 Q58 L63 A64 V65 | N57-E61 WeakPolarHBondContact O-CG 3.41Å; N57-E61 PolarHBondContact O-N 3.45Å; Q58-E61 PolarHBondContact O-N 3.29Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 3.09Å; E61-A64 WeakPolarHBondContact O-CB 3.47Å; E61-A64 PolarHBondContact O-N 3.48Å; E61-V65 WeakPolarHBondContact O-CG2 3.45Å; E61-V65 PolarHBondContact O-N 3.01Å |
| 62 | N | 97.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 175.2 | -73.4 | -20.9 | 0 | 0 | 0 | 112 | L16 Q58 A64 V65 I66 | L16-N62 HydrophobicContact CD2-CB 4.44Å; Q58-N62 WeakPolarHBondContact O-CB 3.5Å; Q58-N62 PolarHBondContact O-N 2.86Å; Q58-N62 PolarHBondContact O-ND2 3.1Å; N62-A64 VanDerWaalsContact C-N 3.32Å; N62-A64 PolarHBondContact O-N 3.44Å; N62-V65 PolarHBondContact O-N 3.41Å; N62-I66 WeakPolarHBondContact O-CB 3.45Å; N62-I66 VanDerWaalsContact O-CG1 3.3Å; N62-I66 WeakPolarHBondContact O-CG1 3.49Å; N62-I66 PolarHBondContact O-N 3.15Å |
| 63 | L | 98.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 174.8 | 180 | 63.5 | 0 | 0 | 0 | 111.4 | L12 M15 L16 E19 A59 R60 E61 I66 K67 | L12-L63 HydrophobicContact CD1-CD2 3.91Å; M15-L63 HydrophobicContact CB-CD1 4.18Å; M15-L63 HydrophobicContact CB-CD2 3.97Å; M15-L63 HydrophobicContact CE-CD2 4.13Å; M15-L63 HydrophobicContact SD-CD2 4.2Å; L16-L63 HydrophobicContact CD2-CB 3.73Å; L16-L63 HydrophobicContact CD2-CD1 4.04Å; L16-L63 HydrophobicContact CD2-CG 4.5Å; L16-L63 HydrophobicContact CG-CB 4.33Å; L16-L63 HydrophobicContact CG-CD1 4.3Å; E19-L63 HydrophobicContact CB-CD1 4.12Å; E19-L63 HydrophobicContact CG-CD1 3.69Å; A59-L63 WeakPolarHBondContact O-CB 3.36Å; A59-L63 PolarHBondContact O-N 2.93Å; R60-L63 WeakPolarHBondContact O-CB 3.26Å; R60-L63 PolarHBondContact O-N 2.97Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 3.09Å; L63-I66 PolarHBondContact O-N 2.94Å; L63-K67 WeakPolarHBondContact O-CG 3.26Å; L63-K67 PolarHBondContact O-N 2.93Å |
| 64 | A | 98.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R60 E61 N62 K67 R68 | R60-A64 PolarHBondContact O-N 3.47Å; R60-A64 VanDerWaalsContact O-N 3.1Å; E61-A64 WeakPolarHBondContact O-CB 3.47Å; E61-A64 PolarHBondContact O-N 3.48Å; N62-A64 VanDerWaalsContact C-N 3.32Å; N62-A64 PolarHBondContact O-N 3.44Å; A64-K67 PolarHBondContact O-N 3.28Å; A64-R68 WeakPolarHBondContact O-CG 3.37Å; A64-R68 PolarHBondContact O-N 2.89Å; A64-R68 VanDerWaalsContact O-N 3.15Å; A64-R68 PolarHBondContact O-NH1 3.46Å |
| 65 | V | 98.2 | Very high | 96.6 | Very high | 63 Ų | 63 | 67 Ų | 67 | 38% | 0.382 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -51 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | E61 N62 K67 R68 Q69 | E61-V65 WeakPolarHBondContact O-CG2 3.45Å; E61-V65 PolarHBondContact O-N 3.01Å; N62-V65 PolarHBondContact O-N 3.41Å; V65-K67 VanDerWaalsContact C-N 3.31Å; V65-K67 PolarHBondContact O-N 3.35Å; V65-R68 PolarHBondContact O-N 3.5Å; V65-Q69 HydrophobicContact CG1-CG 4.11Å; V65-Q69 WeakPolarHBondContact O-CB 3.27Å; V65-Q69 VanDerWaalsContact O-CG 3.3Å; V65-Q69 WeakPolarHBondContact O-CG 3.41Å; V65-Q69 PolarHBondContact O-N 3.3Å |
| 66 | I | 98 | Very high | 96.5 | Very high | 19 Ų | 19 | 74 Ų | 74 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 179.9 | -72.1 | 164.7 | 0 | 0 | 0 | 110.4 | L16 E19 F23 V36 N62 L63 R68 Q69 V70 | L16-I66 HydrophobicContact CD2-CD1 3.68Å; E19-I66 HydrophobicContact CB-CG2 3.7Å; F23-I66 HydrophobicContact CE2-CB 4.48Å; F23-I66 HydrophobicContact CE2-CG1 4.37Å; F23-I66 HydrophobicContact CE2-CG2 3.78Å; F23-I66 HydrophobicContact CZ-CG2 4.19Å; V36-I66 HydrophobicContact CG2-CD1 4.47Å; N62-I66 WeakPolarHBondContact O-CB 3.45Å; N62-I66 VanDerWaalsContact O-CG1 3.3Å; N62-I66 WeakPolarHBondContact O-CG1 3.49Å; N62-I66 PolarHBondContact O-N 3.15Å; L63-I66 PolarHBondContact O-N 2.94Å; I66-R68 PolarHBondContact O-N 3.31Å; I66-Q69 PolarHBondContact O-N 3.22Å; I66-V70 HydrophobicContact CG2-CG2 4.17Å; I66-V70 WeakPolarHBondContact O-CB 3.46Å; I66-V70 VanDerWaalsContact O-CG2 3.24Å; I66-V70 WeakPolarHBondContact O-CG2 3.32Å; I66-V70 PolarHBondContact O-N 3.42Å |
| 67 | K | 98.3 | Very high | 95.9 | Very high | 94 Ų | 94 | 78.2 Ų | 78.2 | 41% | 0.409 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.6 | -48 | 177.8 | -75.8 | 178.1 | 177.4 | -176 | 0 | 112.4 | E19 L63 A64 V65 V70 S71 | E19-K67 HydrophobicContact CG-CG 3.9Å; L63-K67 WeakPolarHBondContact O-CG 3.26Å; L63-K67 PolarHBondContact O-N 2.93Å; A64-K67 PolarHBondContact O-N 3.28Å; V65-K67 VanDerWaalsContact C-N 3.31Å; V65-K67 PolarHBondContact O-N 3.35Å; K67-V70 PolarHBondContact O-N 3.32Å; K67-S71 PolarHBondContact O-N 2.97Å; K67-S71 VanDerWaalsContact O-N 3.08Å; K67-S71 PolarHBondContact O-OG 3.26Å |
| 68 | R | 98.2 | Very high | 95.1 | Very high | 141 Ų | 141 | 78.8 Ų | 78.8 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.7 | -70.6 | -171.4 | -62.7 | -88.4 | 3.9 | 111.8 | A64 V65 I66 V70 S71 I72 | A64-R68 WeakPolarHBondContact O-CG 3.37Å; A64-R68 PolarHBondContact O-N 2.89Å; A64-R68 VanDerWaalsContact O-N 3.15Å; A64-R68 PolarHBondContact O-NH1 3.46Å; V65-R68 PolarHBondContact O-N 3.5Å; I66-R68 PolarHBondContact O-N 3.31Å; R68-V70 VanDerWaalsContact C-N 3.34Å; R68-V70 PolarHBondContact O-N 2.96Å; R68-S71 PolarHBondContact O-N 2.95Å; R68-I72 WeakPolarHBondContact O-CG1 3.43Å; R68-I72 PolarHBondContact O-N 3.34Å |
| 69 | Q | 97.3 | Very high | 94.3 | Very high | 87 Ų | 87 | 83.2 Ų | 83.2 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | -178.5 | -68.1 | -62 | -43.7 | 0 | 0 | 112.2 | F23 V65 I66 G73 | F23-Q69 HydrophobicContact CE1-CB 3.58Å; F23-Q69 HydrophobicContact CZ-CB 3.73Å; V65-Q69 HydrophobicContact CG1-CG 4.11Å; V65-Q69 WeakPolarHBondContact O-CB 3.27Å; V65-Q69 VanDerWaalsContact O-CG 3.3Å; V65-Q69 WeakPolarHBondContact O-CG 3.41Å; V65-Q69 PolarHBondContact O-N 3.3Å; I66-Q69 PolarHBondContact O-N 3.22Å; Q69-G73 PolarHBondContact O-N 3.35Å |
| 70 | V | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 91.9 Ų | 91.9 | 2% | 0.024 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 170.8 | 165.4 | 0 | 0 | 0 | 0 | 110.3 | K22 F23 I66 K67 R68 I72 G73 Q74 | K22-V70 HydrophobicContact CB-CG1 3.58Å; K22-V70 HydrophobicContact CB-CG2 4.19Å; K22-V70 HydrophobicContact CD-CG1 4.47Å; F23-V70 HydrophobicContact CD1-CG2 3.78Å; F23-V70 HydrophobicContact CD2-CG2 4Å; F23-V70 HydrophobicContact CE1-CG2 3.82Å; F23-V70 HydrophobicContact CE2-CG2 4.04Å; F23-V70 HydrophobicContact CG-CG2 3.86Å; F23-V70 HydrophobicContact CZ-CG2 3.94Å; I66-V70 HydrophobicContact CG2-CG2 4.17Å; I66-V70 WeakPolarHBondContact O-CB 3.46Å; I66-V70 VanDerWaalsContact O-CG2 3.24Å; I66-V70 WeakPolarHBondContact O-CG2 3.32Å; I66-V70 PolarHBondContact O-N 3.42Å; K67-V70 PolarHBondContact O-N 3.32Å; R68-V70 VanDerWaalsContact C-N 3.34Å; R68-V70 PolarHBondContact O-N 2.96Å; V70-I72 PolarHBondContact O-N 3.38Å; V70-G73 PolarHBondContact O-N 2.85Å; V70-Q74 VanDerWaalsContact O-CG 3.31Å; V70-Q74 WeakPolarHBondContact O-CG 3.48Å; V70-Q74 PolarHBondContact O-N 3.37Å |
| 71 | S | 96.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 88.8 Ų | 88.8 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | K67 R68 G73 Q74 M75 | K67-S71 PolarHBondContact O-N 2.97Å; K67-S71 VanDerWaalsContact O-N 3.08Å; K67-S71 PolarHBondContact O-OG 3.26Å; R68-S71 PolarHBondContact O-N 2.95Å; S71-G73 PolarHBondContact O-N 3.45Å; S71-Q74 PolarHBondContact O-N 2.97Å; S71-M75 WeakPolarHBondContact O-CG 3.44Å; S71-M75 PolarHBondContact O-N 2.96Å |
| 72 | I | 95.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 88.8 Ų | 88.8 | 42% | 0.415 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176 | -67.5 | 168.3 | 0 | 0 | 0 | 110.6 | R68 V70 Q74 M75 Y76 | R68-I72 WeakPolarHBondContact O-CG1 3.43Å; R68-I72 PolarHBondContact O-N 3.34Å; V70-I72 PolarHBondContact O-N 3.38Å; I72-Q74 PolarHBondContact O-N 3.11Å; I72-M75 PolarHBondContact O-N 3.42Å; I72-M75 VanDerWaalsContact O-N 3.1Å; I72-Y76 HydrophobicContact CG2-CD2 4.08Å; I72-Y76 WeakPolarHBondContact O-CD2 3.28Å; I72-Y76 PolarHBondContact O-N 2.84Å |
| 73 | G | 94 | Very high | 91.4 | Very high | 20 Ų | 20 | 89.3 Ų | 89.3 | 21% | 0.206 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -31.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P24 Q69 V70 S71 Y76 T77 | P24-G73 WeakPolarHBondContact CG-O 3.19Å; Q69-G73 PolarHBondContact O-N 3.35Å; V70-G73 PolarHBondContact O-N 2.85Å; S71-G73 PolarHBondContact O-N 3.45Å; G73-Y76 CarbonylContact O-C 3.37Å; G73-T77 WeakPolarHBondContact O-CA 3.39Å; G73-T77 WeakPolarHBondContact O-CG2 3.39Å; G73-T77 PolarHBondContact O-N 2.84Å |
| 74 | Q | 92.5 | Very high | 90.5 | Very high | 109 Ų | 109 | 90.3 Ų | 90.3 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.6 | -31.6 | 174.6 | -72.7 | 173 | -10.6 | 0 | 0 | 112.7 | V70 S71 I72 | V70-Q74 VanDerWaalsContact O-CG 3.31Å; V70-Q74 WeakPolarHBondContact O-CG 3.48Å; V70-Q74 PolarHBondContact O-N 3.37Å; S71-Q74 PolarHBondContact O-N 2.97Å; I72-Q74 PolarHBondContact O-N 3.11Å |
| 75 | M | 94.3 | Very high | 89 | Confident | 140 Ų | 140 | 94.5 Ų | 94.5 | 69% | 0.69 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.1 | -35.8 | 174.1 | -68.1 | 171.2 | -178.9 | 0 | 0 | 111.9 | S71 I72 | S71-M75 WeakPolarHBondContact O-CG 3.44Å; S71-M75 PolarHBondContact O-N 2.96Å; I72-M75 PolarHBondContact O-N 3.42Å; I72-M75 VanDerWaalsContact O-N 3.1Å |
| 76 | Y | 91.6 | Very high | 87.2 | Confident | 181 Ų | 181 | 95.6 Ų | 95.6 | 71% | 0.71 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | 61.5 | -176.7 | -56.9 | -74.7 | 0 | 0 | 0 | 110.7 | I72 G73 A78 | I72-Y76 HydrophobicContact CG2-CD2 4.08Å; I72-Y76 WeakPolarHBondContact O-CD2 3.28Å; I72-Y76 PolarHBondContact O-N 2.84Å; G73-Y76 CarbonylContact O-C 3.37Å; Y76-A78 PolarHBondContact O-N 3.02Å |
| 77 | T | 83.3 | Confident | 85.1 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 122.7 | 179.9 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | P24 G73 | P24-T77 HydrophobicContact CB-CG2 4.29Å; P24-T77 HydrophobicContact CG-CG2 4.45Å; G73-T77 WeakPolarHBondContact O-CA 3.39Å; G73-T77 WeakPolarHBondContact O-CG2 3.39Å; G73-T77 PolarHBondContact O-N 2.84Å |
| 78 | A | 76.9 | Confident | 82.9 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 74% | 0.744 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 163.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y76 | Y76-A78 PolarHBondContact O-N 3.02Š|
| 79 | Q | 80.5 | Confident | 80.6 | Confident | 189 Ų | 189 | 98.4 Ų | 98.4 | 88% | 0.883 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -60 | 143 | 173.6 | -166.2 | 168.1 | 6.3 | 0 | 0 | 110.7 | ||
| 80 | R | 81.1 | Confident | 78.2 | Confident | 192 Ų | 192 | 104.9 Ų | 104.9 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -64 | 147 | 178.2 | -68 | -171.2 | -174.6 | -175.9 | 3.4 | 110.4 | ||
| 81 | T | 83.4 | Confident | 75.8 | Confident | 49 Ų | 49 | 112 Ų | 112 | 30% | 0.301 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 153.3 | 176.6 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | V83 E84 | T81-V83 PolarHBondContact O-N 3.06Å; T81-V83 VanDerWaalsContact O-N 3.11Å; T81-E84 PolarHBondContact N-OE1 3Å; T81-E84 WeakPolarHBondContact O-CB 3.19Å; T81-E84 PolarHBondContact O-N 3.37Å; T81-E84 PolarHBondContact OG1-OE1 3.15Å; T81-E84 VanDerWaalsContact OG1-OE1 3.09Å |
| 82 | I | 83.4 | Confident | 73 | Confident | 129 Ų | 129 | 120 Ų | 120 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -56.6 | -29.7 | 178.1 | -57.3 | 173.6 | 0 | 0 | 0 | 111.9 | E84 E85 T86 | I82-E84 PolarHBondContact O-N 2.98Å; I82-E85 PolarHBondContact O-N 2.84Å; I82-T86 PolarHBondContact O-N 3.49Å; I82-T86 PolarHBondContact O-OG1 3.09Å |
| 83 | V | 82.4 | Confident | 71.8 | Confident | 84 Ų | 84 | 122 Ų | 122 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.6 | -26.8 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | Y26 T81 T86 | Y26-V83 HydrophobicContact CE1-CG1 3.96Å; T81-V83 PolarHBondContact O-N 3.06Å; T81-V83 VanDerWaalsContact O-N 3.11Å; V83-T86 PolarHBondContact O-OG1 3.48Å |
| 84 | E | 79.2 | Confident | 70.7 | Confident | 36 Ų | 36 | 127.3 Ų | 127.3 | 17% | 0.168 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -79.7 | -27.2 | 176.8 | -65.6 | 175.7 | -99 | 0 | 0 | 112.8 | Y26 R29 T81 I82 | Y26-E84 VanDerWaalsContact CB-CD 3.44Å; Y26-E84 WeakPolarHBondContact CB-OE1 3.26Å; Y26-E84 HydrophobicContact CD2-CG 3.86Å; Y26-E84 HydrophobicContact CG-CG 3.95Å; R29-E84 IonicContact NH2-OE2 2.72Å; R29-E84 PolarHBondContact NH2-OE2 3.25Å; T81-E84 PolarHBondContact N-OE1 3Å; T81-E84 WeakPolarHBondContact O-CB 3.19Å; T81-E84 PolarHBondContact O-N 3.37Å; T81-E84 PolarHBondContact OG1-OE1 3.15Å; T81-E84 VanDerWaalsContact OG1-OE1 3.09Å; I82-E84 PolarHBondContact O-N 2.98Å |
| 85 | E | 67.4 | Low | 69.5 | Low | 125 Ų | 125 | 128.3 Ų | 128.3 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.5 | -39.9 | 178.9 | -65.6 | 179.6 | 166.7 | 0 | 0 | 111.5 | I82 G87 V88 | I82-E85 PolarHBondContact O-N 2.84Å; E85-G87 VanDerWaalsContact C-N 3.25Å; E85-G87 PolarHBondContact O-N 3.01Å; E85-V88 PolarHBondContact O-N 3.35Å |
| 86 | T | 60.1 | Low | 68 | Low | 86 Ų | 86 | 127.6 Ų | 127.6 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -70.5 | -17.3 | -179.5 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | I82 V83 V88 | I82-T86 PolarHBondContact O-N 3.49Å; I82-T86 PolarHBondContact O-OG1 3.09Å; V83-T86 PolarHBondContact O-OG1 3.48Å; T86-V88 VanDerWaalsContact C-N 3.26Å; T86-V88 PolarHBondContact O-N 3.04Å |
| 87 | G | 54.4 | Low | 66.5 | Low | 45 Ų | 45 | 124.3 Ų | 124.3 | 46% | 0.464 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -69.2 | -18 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E85 H89 | E85-G87 VanDerWaalsContact C-N 3.25Å; E85-G87 PolarHBondContact O-N 3.01Å; G87-H89 VanDerWaalsContact C-N 3.27Å; G87-H89 PolarHBondContact O-N 3.21Å |
| 88 | V | 51.6 | Low | 65.4 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -72.9 | -20 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | E85 T86 | E85-V88 PolarHBondContact O-N 3.35Å; T86-V88 VanDerWaalsContact C-N 3.26Å; T86-V88 PolarHBondContact O-N 3.04Å |
| 89 | H | 50.1 | Low | 64.6 | Low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.718 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -91.8 | 8.7 | -176.9 | -80.7 | -64.9 | 0 | 0 | 0 | 115.4 | G87 | G87-H89 VanDerWaalsContact C-N 3.27Å; G87-H89 PolarHBondContact O-N 3.21Å |
| 90 | R | 46.8 | Very low | 63.4 | Low | 223 Ų | 223 | 124.1 Ų | 124.1 | 84% | 0.842 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -97.5 | 2.5 | -179.7 | -79.3 | -167 | -175.6 | -164.9 | 1.8 | 115.6 | ||
| 91 | D | 45.2 | Very low | 61.9 | Low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | trans | -109.2 | 30.5 | 178.9 | -65.2 | -27.7 | 0 | 0 | 0 | 113.2 | ||||
| 92 | L | 38.9 | Very low | 59.9 | Low | 224 Ų | 224 | 124.7 Ų | 124.7 | 100% | 1.173 | 65% | 0.649 | S | S | * | * | trans | -117.2 | 0 | 167.5 | -70 | 176.5 | 0 | 0 | 0 | 111 |
Retrieved 92 of 92 residues in 425.5 ms
(Link to these results)