| 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 | 35.3 | Very low | 35 | Very low | 247 Ų | 247 | 123 Ų | 123 | 100% | 1.217 | 82% | 0.822 | S | S | * | * | 0 | 94.6 | 0 | -72 | 176 | -171 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 35.4 | Very low | 37 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -84.3 | 104.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | V4 | A2-V4 PolarHBondContact O-N 3.34Å; A2-V4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | S | 37.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 115.1 | 171.7 | 56.2 | 0 | 0 | 0 | 0 | 107.4 | M1 T5 | M1-S3 PolarHBondContact O-N 3.39Å; S3-T5 VanDerWaalsContact C-N 3.34Å; S3-T5 PolarHBondContact O-N 3.38Å | ||
| 4 | V | 37.5 | Very low | 43.5 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | trans | -61.6 | 102.7 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 105.8 | A2 S6 | A2-V4 PolarHBondContact O-N 3.34Å; A2-V4 VanDerWaalsContact O-N 3.13Å; V4-S6 PolarHBondContact O-N 2.87Å | ||
| 5 | T | 33.6 | Very low | 46.7 | Very low | 117 Ų | 117 | 110.7 Ų | 110.7 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | trans | -61.5 | 104.3 | 167.5 | 39.9 | 0 | 0 | 0 | 0 | 106.3 | S3 T7 | S3-T5 VanDerWaalsContact C-N 3.34Å; S3-T5 PolarHBondContact O-N 3.38Å; T5-T7 PolarHBondContact O-N 2.98Å | ||
| 6 | S | 36.8 | Very low | 49.7 | Very low | 102 Ų | 102 | 104.2 Ų | 104.2 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -53.1 | 111.7 | 167.4 | 60.8 | 0 | 0 | 0 | 0 | 106.5 | V4 G8 | V4-S6 PolarHBondContact O-N 2.87Å; S6-G8 PolarHBondContact O-N 3.41Å; S6-G8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | T | 32.1 | Very low | 52.3 | Low | 121 Ų | 121 | 99.1 Ų | 99.1 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | trans | -44.8 | 122.4 | 165.4 | 44.2 | 0 | 0 | 0 | 0 | 107.2 | T5 I9 | T5-T7 PolarHBondContact O-N 2.98Å; T7-I9 PolarHBondContact O-N 3.33Å | ||
| 8 | G | 27.1 | Very low | 54.5 | Low | 80 Ų | 80 | 96.3 Ų | 96.3 | 83% | 0.825 | 62% | 0.617 | S | S | * | * | trans | -50.9 | 98.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111 | S6 S10 | S6-G8 PolarHBondContact O-N 3.41Å; S6-G8 VanDerWaalsContact O-N 3.13Å; G8-S10 PolarHBondContact O-N 3.44Å | ||
| 9 | I | 36 | Very low | 56.4 | Low | 151 Ų | 151 | 94.6 Ų | 94.6 | 77% | 0.774 | 60% | 0.6 | S | S | * | * | trans | -74.3 | 109.2 | 159.1 | -60.2 | 175.4 | 0 | 0 | 0 | 102.3 | T7 G11 | T7-I9 PolarHBondContact O-N 3.33Å; I9-G11 PolarHBondContact O-N 3Å | ||
| 10 | S | 35.6 | Very low | 58.2 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 70% | 0.699 | 57% | 0.572 | S | S | * | * | trans | -33.9 | 132 | 166.6 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | G8 G12 | G8-S10 PolarHBondContact O-N 3.44Å; S10-G12 PolarHBondContact O-N 2.87Å | ||
| 11 | G | 37.9 | Very low | 60.1 | Low | 93 Ų | 93 | 86 Ų | 86 | 96% | 0.959 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -63.7 | 57.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | I9 | I9-G11 PolarHBondContact O-N 3Š|
| 12 | G | 59.6 | Low | 63.1 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 156.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S10 | S10-G12 PolarHBondContact O-N 2.87Š|
| 13 | C | 77.6 | Confident | 66.1 | Low | 49 Ų | 49 | 69.5 Ų | 69.5 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 149.1 | 176.9 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | E15 N279 K280 S281 | C13-E15 PolarHBondContact O-N 2.87Å; C13-N279 PolarHBondContact SG-O 2.81Å; C13-K280 VanDerWaalsContact SG-C 3.53Å; C13-K280 WeakPolarHBondContact SG-CA 3.31Å; C13-S281 WeakPolarHBondContact CB-OG 3.47Å; C13-S281 PolarHBondContact O-OG 2.75Å; C13-S281 PolarHBondContact SG-N 2.78Å; C13-S281 VanDerWaalsContact SG-N 3.37Å |
| 14 | R | 86.6 | Confident | 69 | Low | 118 Ų | 118 | 64.6 Ų | 64.6 | 45% | 0.445 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 118.1 | -177.4 | -176.6 | -176.1 | -179 | -164.8 | 1.4 | 111.1 | W16 E19 S281 | R14-W16 VanDerWaalsContact C-N 3.27Å; R14-W16 PolarHBondContact O-N 2.84Å; R14-E19 WeakPolarHBondContact CG-OE1 3.48Å; R14-E19 IonicContact CZ-OE1 3.22Å; R14-E19 IonicContact CZ-OE2 2.95Å; R14-E19 VanDerWaalsContact CZ-OE2 3.32Å; R14-E19 IonicContact NE-OE1 2.84Å; R14-E19 PolarHBondContact NE-OE1 2.62Å; R14-E19 IonicContact NE-OE2 3.85Å; R14-E19 PolarHBondContact NE-OE2 2.9Å; R14-E19 IonicContact NH2-OE1 3.78Å; R14-E19 IonicContact NH2-OE2 2.78Å; R14-E19 PolarHBondContact NH2-OE2 3.16Å; R14-S281 PolarHBondContact O-OG 3.05Å |
| 15 | E | 91.6 | Very high | 72 | Confident | 84 Ų | 84 | 58 Ų | 58 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | trans | -78.5 | 73.5 | 172.2 | -63.5 | 176.3 | 98.5 | 0 | 0 | 110.7 | C13 W17 K18 | C13-E15 PolarHBondContact O-N 2.87Å; E15-W17 HydrophobicContact CB-CD2 4.33Å; E15-W17 HydrophobicContact CB-CH2 4.08Å; E15-W17 HydrophobicContact CB-CZ2 3.64Å; E15-W17 HydrophobicContact CG-CH2 3.94Å; E15-W17 HydrophobicContact CG-CZ2 3.6Å; E15-W17 PolarHBondContact O-N 2.97Å; E15-W17 VanDerWaalsContact O-N 3.08Å; E15-K18 HydrophobicContact CB-CD 3.9Å; E15-K18 HydrophobicContact CB-CG 4.04Å; E15-K18 WeakPolarHBondContact O-CB 3.37Å; E15-K18 WeakPolarHBondContact O-CG 3.34Å; E15-K18 PolarHBondContact O-N 3.2Å; E15-K18 WeakPolarHBondContact OE1-CE 3.35Å; E15-K18 IonicContact OE1-NZ 3.52Å; E15-K18 PolarHBondContact OE1-NZ 3.09Å; E15-K18 VanDerWaalsContact OE2-CE 3.28Å; E15-K18 WeakPolarHBondContact OE2-CE 3.25Å; E15-K18 IonicContact OE2-NZ 3.88Å; E15-K18 PolarHBondContact OE2-NZ 3.43Å | ||
| 16 | W | 94.8 | Very high | 75.1 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -57.2 | -28 | -170.3 | 54.4 | -100.6 | 0 | 0 | 0 | 114.5 | R14 K18 E19 T20 A58 F105 V107 D209 S281 F283 | R14-W16 VanDerWaalsContact C-N 3.27Å; R14-W16 PolarHBondContact O-N 2.84Å; W16-K18 PolarHBondContact O-N 3.36Å; W16-K18 VanDerWaalsContact O-N 3.17Å; W16-E19 PolarHBondContact O-N 2.77Å; W16-T20 HydrophobicContact CE3-CG2 4.49Å; W16-A58 HydrophobicContact CE3-CB 4.09Å; W16-A58 HydrophobicContact CH2-CB 4.41Å; W16-A58 HydrophobicContact CZ3-CB 3.56Å; W16-F105 HydrophobicContact CB-CD1 4.44Å; W16-F105 HydrophobicContact CB-CD2 3.85Å; W16-F105 HydrophobicContact CB-CE1 4.01Å; W16-F105 HydrophobicContact CB-CE2 3.38Å; W16-F105 HydrophobicContact CB-CG 4.37Å; W16-F105 HydrophobicContact CB-CZ 3.46Å; W16-F105 VanDerWaalsContact CB-CZ 3.46Å; W16-F105 AromaticContact CD1-CD1 3.71Å; W16-F105 AromaticContact CD1-CE1 3.6Å; W16-F105 AromaticContact CD1-CZ 3.99Å; W16-F105 HydrophobicContact CD2-CB 4.07Å; W16-F105 AromaticContact CD2-CD1 3.97Å; W16-F105 HydrophobicContact CD2-CD1 3.97Å; W16-F105 AromaticContact CD2-CD2 3.78Å; W16-F105 HydrophobicContact CD2-CD2 3.78Å; W16-F105 HydrophobicContact CD2-CE1 4.4Å; W16-F105 HydrophobicContact CD2-CE2 4.25Å; W16-F105 AromaticContact CD2-CG 3.64Å; W16-F105 HydrophobicContact CD2-CG 3.64Å; W16-F105 AromaticContact CE2-CD1 3.99Å; W16-F105 AromaticContact CE2-CG 3.93Å; W16-F105 HydrophobicContact CE3-CB 4.1Å; W16-F105 AromaticContact CE3-CD2 3.89Å; W16-F105 HydrophobicContact CE3-CD2 3.89Å; W16-F105 AromaticContact CE3-CG 3.98Å; W16-F105 HydrophobicContact CE3-CG 3.98Å; W16-F105 AromaticContact CG-CD1 3.8Å; W16-F105 HydrophobicContact CG-CD1 3.8Å; W16-F105 AromaticContact CG-CD2 3.78Å; W16-F105 HydrophobicContact CG-CD2 3.78Å; W16-F105 AromaticContact CG-CE1 3.74Å; W16-F105 HydrophobicContact CG-CE1 3.74Å; W16-F105 AromaticContact CG-CE2 3.75Å; W16-F105 HydrophobicContact CG-CE2 3.75Å; W16-F105 AromaticContact CG-CG 3.82Å; W16-F105 HydrophobicContact CG-CG 3.82Å; W16-F105 AromaticContact CG-CZ 3.72Å; W16-F105 HydrophobicContact CG-CZ 3.72Å; W16-F105 HydrophobicContact CH2-CB 4.24Å; W16-F105 HydrophobicContact CZ2-CB 4.13Å; W16-F105 HydrophobicContact CZ2-CG 4.47Å; W16-F105 HydrophobicContact CZ3-CB 4.23Å; W16-F105 AromaticContact NE1-CD1 3.81Å; W16-V107 HydrophobicContact CH2-CG2 3.74Å; W16-V107 HydrophobicContact CZ2-CG2 4.44Å; W16-D209 HydrophobicContact CZ2-CB 4.01Å; W16-S281 PolarHBondContact NE1-O 3.19Å; W16-F283 HydrophobicContact CH2-CB 3.49Å; W16-F283 VanDerWaalsContact CH2-CB 3.49Å; W16-F283 HydrophobicContact CH2-CD1 4.15Å; W16-F283 HydrophobicContact CH2-CD2 4.14Å; W16-F283 AromaticContact CH2-CG 3.67Å; W16-F283 HydrophobicContact CH2-CG 3.67Å; W16-F283 HydrophobicContact CZ2-CB 3.22Å; W16-F283 AromaticContact CZ2-CG 3.95Å; W16-F283 HydrophobicContact CZ2-CG 3.95Å |
| 17 | W | 94.7 | Very high | 78 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -63.9 | -19.3 | 178.8 | 56.9 | 84.6 | 0 | 0 | 0 | 113.3 | E15 E19 F283 T304 T375 | E15-W17 HydrophobicContact CB-CD2 4.33Å; E15-W17 HydrophobicContact CB-CH2 4.08Å; E15-W17 HydrophobicContact CB-CZ2 3.64Å; E15-W17 HydrophobicContact CG-CH2 3.94Å; E15-W17 HydrophobicContact CG-CZ2 3.6Å; E15-W17 PolarHBondContact O-N 2.97Å; E15-W17 VanDerWaalsContact O-N 3.08Å; W17-E19 VanDerWaalsContact C-N 3.31Å; W17-F283 HydrophobicContact CB-CD2 3.79Å; W17-F283 HydrophobicContact CB-CE2 3.97Å; W17-F283 AromaticContact CD2-CD2 3.9Å; W17-F283 HydrophobicContact CD2-CD2 3.9Å; W17-F283 HydrophobicContact CE3-CB 4.04Å; W17-F283 AromaticContact CE3-CD2 3.83Å; W17-F283 HydrophobicContact CE3-CD2 3.83Å; W17-F283 HydrophobicContact CE3-CG 4.44Å; W17-F283 AromaticContact CG-CD2 3.89Å; W17-F283 HydrophobicContact CG-CD2 3.89Å; W17-F283 HydrophobicContact CG-CE2 4.2Å; W17-F283 HydrophobicContact CZ3-CB 4.33Å; W17-T304 HydrophobicContact CD2-CG2 3.75Å; W17-T304 HydrophobicContact CG-CG2 3.88Å; W17-T304 HydrophobicContact CZ2-CG2 3.88Å; W17-T304 VanDerWaalsContact NE1-CG2 3.28Å; W17-T375 PolarHBondContact O-OG1 2.95Å |
| 18 | K | 92 | Very high | 81.2 | Confident | 49 Ų | 49 | 43 Ų | 43 | 21% | 0.213 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -75.5 | -21.6 | 175.6 | -57 | -170.4 | 173 | 174.5 | 0 | 112.6 | E15 W16 W339 | E15-K18 HydrophobicContact CB-CD 3.9Å; E15-K18 HydrophobicContact CB-CG 4.04Å; E15-K18 WeakPolarHBondContact O-CB 3.37Å; E15-K18 WeakPolarHBondContact O-CG 3.34Å; E15-K18 PolarHBondContact O-N 3.2Å; E15-K18 WeakPolarHBondContact OE1-CE 3.35Å; E15-K18 IonicContact OE1-NZ 3.52Å; E15-K18 PolarHBondContact OE1-NZ 3.09Å; E15-K18 VanDerWaalsContact OE2-CE 3.28Å; E15-K18 WeakPolarHBondContact OE2-CE 3.25Å; E15-K18 IonicContact OE2-NZ 3.88Å; E15-K18 PolarHBondContact OE2-NZ 3.43Å; W16-K18 PolarHBondContact O-N 3.36Å; W16-K18 VanDerWaalsContact O-N 3.17Å; K18-W339 HydrophobicContact CB-CH2 3.69Å; K18-W339 HydrophobicContact CB-CZ2 3.47Å; K18-W339 VanDerWaalsContact CB-CZ2 3.47Å; K18-W339 HydrophobicContact CB-CZ3 4.44Å; K18-W339 HydrophobicContact CD-CD2 4.21Å; K18-W339 HydrophobicContact CD-CE3 3.81Å; K18-W339 HydrophobicContact CD-CH2 3.65Å; K18-W339 HydrophobicContact CD-CZ2 4.06Å; K18-W339 HydrophobicContact CD-CZ3 3.51Å; K18-W339 VanDerWaalsContact CE-CE3 3.43Å; K18-W339 HydrophobicContact CG-CD2 3.93Å; K18-W339 HydrophobicContact CG-CE3 4.05Å; K18-W339 HydrophobicContact CG-CH2 3.63Å; K18-W339 HydrophobicContact CG-CZ2 3.49Å; K18-W339 VanDerWaalsContact CG-CZ2 3.49Å; K18-W339 HydrophobicContact CG-CZ3 3.91Å |
| 19 | E | 89.1 | Confident | 84.5 | Confident | 63 Ų | 63 | 39.2 Ų | 39.2 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -104.9 | -2.4 | -169.7 | -57.2 | -178.8 | -150.4 | 0 | 0 | 113.7 | R14 W16 W17 Y482 | R14-E19 WeakPolarHBondContact CG-OE1 3.48Å; R14-E19 IonicContact CZ-OE1 3.22Å; R14-E19 IonicContact CZ-OE2 2.95Å; R14-E19 VanDerWaalsContact CZ-OE2 3.32Å; R14-E19 IonicContact NE-OE1 2.84Å; R14-E19 PolarHBondContact NE-OE1 2.62Å; R14-E19 IonicContact NE-OE2 3.85Å; R14-E19 PolarHBondContact NE-OE2 2.9Å; R14-E19 IonicContact NH2-OE1 3.78Å; R14-E19 IonicContact NH2-OE2 2.78Å; R14-E19 PolarHBondContact NH2-OE2 3.16Å; W16-E19 PolarHBondContact O-N 2.77Å; W17-E19 VanDerWaalsContact C-N 3.31Å; E19-Y482 HydrophobicContact CG-CE1 4.23Å |
| 20 | T | 94.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.049 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -145.3 | -177.7 | -176.5 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | W16 K57 A58 R475 | W16-T20 HydrophobicContact CE3-CG2 4.49Å; T20-K57 HydrophobicContact CG2-CB 4.03Å; T20-K57 WeakPolarHBondContact OG1-CB 3.38Å; T20-K57 PolarHBondContact OG1-N 3.04Å; T20-A58 HydrophobicContact CG2-CB 3.86Å; T20-R475 PolarHBondContact O-NH2 2.79Å |
| 21 | I | 97.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | trans | -100.5 | 162.7 | 167.2 | 69.5 | 159.5 | 0 | 0 | 0 | 109 | V56 L370 A376 C378 F468 L472 R475 | I21-V56 HydrophobicContact CD1-CG2 3.86Å; I21-V56 HydrophobicContact CG1-CG1 4.34Å; I21-V56 HydrophobicContact CG1-CG2 3.98Å; I21-L370 HydrophobicContact CG2-CD2 3.75Å; I21-A376 WeakPolarHBondContact CA-O 3.47Å; I21-A376 HydrophobicContact CB-CB 4.37Å; I21-A376 WeakPolarHBondContact CB-O 3.3Å; I21-A376 HydrophobicContact CG2-CB 3.87Å; I21-C378 HydrophobicContact CD1-CB 3.98Å; I21-F468 HydrophobicContact CD1-CE1 4.27Å; I21-F468 HydrophobicContact CD1-CZ 3.92Å; I21-L472 HydrophobicContact CD1-CD2 4.08Å; I21-L472 HydrophobicContact CG1-CD2 4.24Å; I21-L472 HydrophobicContact CG2-CD2 3.66Å; I21-R475 VanDerWaalsContact CG2-NE 3.29Å | ||
| 22 | I | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119 | 165.5 | -59.5 | 176.4 | 0 | 0 | 0 | 107.4 | A58 W60 F283 M285 F305 T375 A376 I377 C378 | I22-A58 HydrophobicContact CG1-CB 4.18Å; I22-W60 HydrophobicContact CG2-CB 3.51Å; I22-F283 HydrophobicContact CD1-CD1 4.46Å; I22-F283 HydrophobicContact CD1-CE1 3.64Å; I22-F283 HydrophobicContact CD1-CE2 3.95Å; I22-F283 HydrophobicContact CD1-CZ 3.35Å; I22-M285 HydrophobicContact CD1-SD 4.36Å; I22-F305 HydrophobicContact CD1-CZ 4.18Å; I22-T375 HydrophobicContact CD1-CG2 4.11Å; I22-T375 HydrophobicContact CG1-CG2 3.96Å; I22-A376 PolarHBondContact N-O 3.3Å; I22-I377 HydrophobicContact CB-CD1 3.68Å; I22-I377 HydrophobicContact CD1-CD1 3.79Å; I22-I377 HydrophobicContact CG1-CD1 4.05Å; I22-I377 HydrophobicContact CG2-CD1 4.42Å; I22-I377 WeakPolarHBondContact O-CA 3.11Å; I22-C378 PolarHBondContact O-N 2.98Å |
| 23 | Y | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.2 | 176 | -170 | -76.3 | 0 | 0 | 0 | 108.8 | I25 F30 F51 V56 A58 L59 W60 C378 Y380 E383 | Y23-I25 HydrophobicContact CD1-CG1 3.79Å; Y23-I25 HydrophobicContact CE1-CG1 4.03Å; Y23-F30 HydrophobicContact CE1-CE2 4.32Å; Y23-F51 AromaticContact CD1-CE1 3.67Å; Y23-F51 HydrophobicContact CD1-CE1 3.67Å; Y23-F51 HydrophobicContact CD1-CZ 4.27Å; Y23-F51 HydrophobicContact CD2-CE1 4.42Å; Y23-F51 AromaticContact CE1-CE1 3.73Å; Y23-F51 HydrophobicContact CE1-CE1 3.73Å; Y23-F51 HydrophobicContact CE1-CZ 4.26Å; Y23-F51 HydrophobicContact CE2-CE1 4.47Å; Y23-F51 HydrophobicContact CG-CE1 4.02Å; Y23-V56 HydrophobicContact CD2-CG2 4.34Å; Y23-V56 HydrophobicContact CG-CG1 4.43Å; Y23-A58 PolarHBondContact N-O 3.03Å; Y23-L59 WeakPolarHBondContact O-CA 3.41Å; Y23-W60 PolarHBondContact O-N 3.42Å; Y23-C378 CarbonylContact C-O 3.5Å; Y23-C378 WeakPolarHBondContact CA-O 3.36Å; Y23-C378 HydrophobicContact CD2-CB 4.37Å; Y23-Y380 WeakPolarHBondContact OH-CA 3.13Å; Y23-Y380 WeakPolarHBondContact OH-CB 3.37Å; Y23-E383 HydrophobicContact CE2-CG 4.49Å; Y23-E383 PolarHBondContact OH-OE1 3.48Å; Y23-E383 PolarHBondContact OH-OE2 2.98Å |
| 24 | Q | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.1 | 179.1 | -179.7 | -178.3 | 30.7 | 0 | 0 | 110.6 | W60 H347 C378 Y379 Y380 | Q24-W60 CarbonylContact C-O 3.21Å; Q24-W60 VanDerWaalsContact CA-O 3.28Å; Q24-W60 WeakPolarHBondContact CA-O 3.44Å; Q24-W60 HydrophobicContact CB-CD2 4.21Å; Q24-W60 HydrophobicContact CB-CE3 3.68Å; Q24-W60 HydrophobicContact CB-CZ3 4.2Å; Q24-W60 VanDerWaalsContact CD-CZ3 3.41Å; Q24-W60 HydrophobicContact CG-CD2 3.88Å; Q24-W60 HydrophobicContact CG-CE3 3.65Å; Q24-W60 HydrophobicContact CG-CG 4.47Å; Q24-W60 HydrophobicContact CG-CH2 4.42Å; Q24-W60 HydrophobicContact CG-CZ3 3.96Å; Q24-W60 VanDerWaalsContact NE2-CZ3 3.29Å; Q24-H347 PolarHBondContact NE2-CE1 2.83Å; Q24-H347 PolarHBondContact NE2-ND1 3.13Å; Q24-C378 PolarHBondContact N-O 3.13Å; Q24-Y379 HydrophobicContact CB-CD2 4.21Å; Q24-Y379 HydrophobicContact CG-CD2 3.93Å; Q24-Y379 HydrophobicContact CG-CE2 4.4Å; Q24-Y379 VanDerWaalsContact OE1-CD2 3.31Å; Q24-Y380 WeakPolarHBondContact O-CB 3.48Å; Q24-Y380 PolarHBondContact O-N 2.82Å |
| 25 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.2 | 177.2 | -59.1 | 178.4 | 0 | 0 | 0 | 108.5 | Y23 P27 F30 I44 F51 L59 W60 I61 S62 | Y23-I25 HydrophobicContact CD1-CG1 3.79Å; Y23-I25 HydrophobicContact CE1-CG1 4.03Å; I25-P27 WeakPolarHBondContact O-CD 3.4Å; I25-F30 HydrophobicContact CD1-CE1 4.47Å; I25-F30 HydrophobicContact CD1-CE2 4.47Å; I25-F30 HydrophobicContact CD1-CZ 4.36Å; I25-F30 HydrophobicContact CG1-CD2 4.43Å; I25-F30 HydrophobicContact CG1-CE2 4.43Å; I25-F30 HydrophobicContact CG2-CB 3.56Å; I25-F30 HydrophobicContact CG2-CD1 4.14Å; I25-F30 HydrophobicContact CG2-CD2 3.76Å; I25-F30 HydrophobicContact CG2-CG 3.54Å; I25-I44 HydrophobicContact CD1-CD1 4.38Å; I25-I44 HydrophobicContact CD1-CG1 4.41Å; I25-I44 HydrophobicContact CD1-CG2 3.84Å; I25-I44 HydrophobicContact CG2-CD1 3.93Å; I25-I44 HydrophobicContact CG2-CG1 4.21Å; I25-F51 HydrophobicContact CD1-CE2 4.09Å; I25-F51 HydrophobicContact CD1-CZ 3.59Å; I25-F51 HydrophobicContact CG1-CZ 4.34Å; I25-L59 HydrophobicContact CD1-CB 4.25Å; I25-L59 HydrophobicContact CD1-CD1 3.96Å; I25-L59 HydrophobicContact CD1-CD2 4.23Å; I25-L59 HydrophobicContact CD1-CG 4.37Å; I25-W60 PolarHBondContact N-O 2.93Å; I25-I61 HydrophobicContact CB-CG2 4.24Å; I25-I61 HydrophobicContact CD1-CG2 4.43Å; I25-S62 PolarHBondContact O-N 2.68Å |
| 26 | Y | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | trans | -95.5 | 101.2 | 164.7 | -164.2 | -103.7 | 0 | 0 | 0 | 108.3 | R28 S29 F30 F72 H347 R420 W442 | Y26-R28 VanDerWaalsContact C-N 3.33Å; Y26-R28 HydrophobicContact CD1-CB 4.14Å; Y26-R28 HydrophobicContact CE1-CB 3.93Å; Y26-R28 HydrophobicContact CE1-CG 4.44Å; Y26-R28 PolarHBondContact O-N 3.41Å; Y26-S29 PolarHBondContact O-N 3.21Å; Y26-F30 PolarHBondContact O-N 3.46Å; Y26-F72 VanDerWaalsContact OH-CB 3.29Å; Y26-F72 WeakPolarHBondContact OH-CB 3.39Å; Y26-F72 WeakPolarHBondContact OH-CD2 3.45Å; Y26-H347 HydrophobicContact CD2-CB 3.87Å; Y26-H347 HydrophobicContact CE2-CB 4.21Å; Y26-R420 HydrophobicContact CD1-CB 4.26Å; Y26-R420 HydrophobicContact CD1-CG 4.41Å; Y26-R420 HydrophobicContact CE1-CB 4.01Å; Y26-R420 HydrophobicContact CE1-CG 4.09Å; Y26-R420 HydrophobicContact CE2-CG 4.26Å; Y26-W442 HydrophobicContact CD1-CZ2 4.41Å; Y26-W442 HydrophobicContact CE1-CH2 4.02Å; Y26-W442 AromaticContact CE1-CZ2 3.75Å; Y26-W442 HydrophobicContact CE1-CZ2 3.75Å | ||
| 27 | P | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.8 | -45.9 | -164.4 | -29.8 | 36.9 | 0 | 0 | 0 | 113.5 | I25 S29 F30 G39 I61 V64 F86 | I25-P27 WeakPolarHBondContact O-CD 3.4Å; P27-S29 PolarHBondContact O-N 2.6Å; P27-F30 PolarHBondContact O-N 2.87Å; P27-F30 VanDerWaalsContact O-N 3.08Å; P27-G39 CarbonylContact C-O 3.45Å; P27-G39 CarbonylContact O-C 3.59Å; P27-G39 VanDerWaalsContact O-C 3.27Å; P27-G39 WeakPolarHBondContact O-CA 3.41Å; P27-I61 HydrophobicContact CG-CB 4.35Å; P27-V64 HydrophobicContact CB-CG1 4.03Å; P27-V64 HydrophobicContact CG-CG1 3.66Å; P27-F86 HydrophobicContact CB-CD1 4.16Å; P27-F86 HydrophobicContact CB-CE1 4.03Å |
| 28 | R | 98.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 20 Ų | 20 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -52 | -27.3 | 179.3 | -68.6 | 179.5 | 157.8 | -104.2 | -8.7 | 114.3 | Y26 I38 G39 M69 F86 F434 W442 | Y26-R28 VanDerWaalsContact C-N 3.33Å; Y26-R28 HydrophobicContact CD1-CB 4.14Å; Y26-R28 HydrophobicContact CE1-CB 3.93Å; Y26-R28 HydrophobicContact CE1-CG 4.44Å; Y26-R28 PolarHBondContact O-N 3.41Å; R28-I38 HydrophobicContact CB-CG2 3.98Å; R28-I38 HydrophobicContact CG-CG2 3.79Å; R28-G39 PolarHBondContact O-N 3.04Å; R28-M69 VanDerWaalsContact NH2-CB 3.32Å; R28-M69 PolarHBondContact NH2-SD 3.48Å; R28-F86 HydrophobicContact CG-CE1 3.65Å; R28-F86 HydrophobicContact CG-CZ 3.78Å; R28-F434 WeakPolarHBondContact O-CZ 3.38Å; R28-W442 HydrophobicContact CB-CZ2 3.94Å; R28-W442 VanDerWaalsContact O-CD1 3.22Å; R28-W442 PolarHBondContact O-NE1 3.2Å |
| 29 | S | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -116.3 | 2.5 | -173.2 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | Y26 P27 Y380 R420 P422 L423 F434 W442 | Y26-S29 PolarHBondContact O-N 3.21Å; P27-S29 PolarHBondContact O-N 2.6Å; S29-Y380 WeakPolarHBondContact CB-OH 3.26Å; S29-R420 VanDerWaalsContact CB-O 3.23Å; S29-R420 WeakPolarHBondContact CB-O 3.14Å; S29-R420 PolarHBondContact OG-O 2.87Å; S29-P422 WeakPolarHBondContact O-CA 3.35Å; S29-L423 PolarHBondContact O-N 3.04Å; S29-F434 VanDerWaalsContact C-CE2 3.46Å; S29-F434 WeakPolarHBondContact O-CE2 3.43Å; S29-W442 VanDerWaalsContact OG-CZ2 3.31Å; S29-W442 WeakPolarHBondContact OG-CZ2 3.47Å; S29-W442 PolarHBondContact OG-NE1 2.9Å |
| 30 | F | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -82.4 | -62.8 | -176.1 | -169.3 | -108.2 | 0 | 0 | 0 | 112 | Y23 I25 Y26 P27 I44 K47 F51 Y380 L423 W425 | Y23-F30 HydrophobicContact CE1-CE2 4.32Å; I25-F30 HydrophobicContact CD1-CE1 4.47Å; I25-F30 HydrophobicContact CD1-CE2 4.47Å; I25-F30 HydrophobicContact CD1-CZ 4.36Å; I25-F30 HydrophobicContact CG1-CD2 4.43Å; I25-F30 HydrophobicContact CG1-CE2 4.43Å; I25-F30 HydrophobicContact CG2-CB 3.56Å; I25-F30 HydrophobicContact CG2-CD1 4.14Å; I25-F30 HydrophobicContact CG2-CD2 3.76Å; I25-F30 HydrophobicContact CG2-CG 3.54Å; Y26-F30 PolarHBondContact O-N 3.46Å; P27-F30 PolarHBondContact O-N 2.87Å; P27-F30 VanDerWaalsContact O-N 3.08Å; F30-I44 HydrophobicContact CD1-CB 4.39Å; F30-I44 HydrophobicContact CD1-CG1 3.74Å; F30-I44 HydrophobicContact CE1-CB 4.49Å; F30-I44 HydrophobicContact CE1-CG1 4.28Å; F30-K47 HydrophobicContact CE1-CB 3.9Å; F30-K47 HydrophobicContact CE1-CG 4.12Å; F30-K47 HydrophobicContact CZ-CB 4.21Å; F30-F51 HydrophobicContact CE1-CE2 4.32Å; F30-F51 HydrophobicContact CE1-CZ 4.12Å; F30-F51 AromaticContact CE2-CZ 3.98Å; F30-F51 HydrophobicContact CE2-CZ 3.98Å; F30-F51 HydrophobicContact CZ-CE1 4.26Å; F30-F51 AromaticContact CZ-CE2 3.93Å; F30-F51 HydrophobicContact CZ-CE2 3.93Å; F30-F51 AromaticContact CZ-CZ 3.35Å; F30-F51 HydrophobicContact CZ-CZ 3.35Å; F30-Y380 HydrophobicContact CD2-CD2 4.49Å; F30-L423 HydrophobicContact CD2-CD2 4.13Å; F30-L423 HydrophobicContact CE2-CD2 3.98Å; F30-W425 HydrophobicContact CD1-CZ2 4.2Å; F30-W425 HydrophobicContact CD2-CZ2 4.24Å; F30-W425 HydrophobicContact CE1-CH2 4.11Å; F30-W425 AromaticContact CE1-CZ2 3.68Å; F30-W425 HydrophobicContact CE1-CZ2 3.68Å; F30-W425 HydrophobicContact CE2-CH2 4.03Å; F30-W425 AromaticContact CE2-CZ2 3.72Å; F30-W425 HydrophobicContact CE2-CZ2 3.72Å; F30-W425 HydrophobicContact CG-CZ2 4.46Å; F30-W425 AromaticContact CZ-CH2 3.55Å; F30-W425 HydrophobicContact CZ-CH2 3.55Å; F30-W425 AromaticContact CZ-CZ2 3.41Å; F30-W425 HydrophobicContact CZ-CZ2 3.41Å; F30-W425 VanDerWaalsContact CZ-CZ2 3.41Å; F30-W425 PolarHBondContact O-NE1 2.73Å |
| 31 | K | 98.4 | Very high | 98.2 | Very high | 24 Ų | 24 | 14.6 Ų | 14.6 | 10% | 0.104 | 9% | 0.088 | C | C | . | . | trans | -161.5 | 126 | 176.3 | 178.4 | 73.6 | -174.6 | 93.1 | 0 | 109.7 | T33 G39 D40 W425 G433 F434 | K31-T33 HydrophobicContact CG-CG2 4.22Å; K31-G39 VanDerWaalsContact C-CA 3.43Å; K31-G39 CarbonylContact O-C 3.6Å; K31-G39 WeakPolarHBondContact O-CA 3.2Å; K31-D40 PolarHBondContact O-N 3.19Å; K31-W425 HydrophobicContact CD-CG 4.32Å; K31-G433 WeakPolarHBondContact CD-O 3.32Å; K31-G433 WeakPolarHBondContact CE-O 3.25Å; K31-G433 PolarHBondContact NZ-O 3.22Å; K31-F434 PolarHBondContact NZ-O 2.83Å | ||
| 32 | D | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | trans | -92 | 128.8 | 171.6 | 174.9 | 17.8 | 0 | 0 | 0 | 109.9 | S34 G35 N36 G37 I38 F434 T435 | D32-S34 WeakPolarHBondContact OD1-CA 3.43Å; D32-S34 PolarHBondContact OD1-N 2.5Å; D32-S34 PolarHBondContact OD1-OG 3.09Å; D32-G35 PolarHBondContact OD1-N 2.82Å; D32-G35 VanDerWaalsContact OD2-CA 3.31Å; D32-G35 WeakPolarHBondContact OD2-CA 3.46Å; D32-G35 PolarHBondContact OD2-N 3.19Å; D32-N36 PolarHBondContact OD2-N 3.3Å; D32-N36 VanDerWaalsContact OD2-N 3.09Å; D32-G37 WeakPolarHBondContact OD2-CA 3.23Å; D32-G37 PolarHBondContact OD2-N 3.09Å; D32-I38 VanDerWaalsContact CB-O 3.26Å; D32-I38 WeakPolarHBondContact CB-O 3.47Å; D32-I38 VanDerWaalsContact CG-O 3.23Å; D32-F434 HydrophobicContact CB-CE1 4.43Å; D32-F434 HydrophobicContact CB-CZ 4.25Å; D32-F434 PolarHBondContact N-O 3.14Å; D32-T435 WeakPolarHBondContact OD2-CB 3.44Å; D32-T435 PolarHBondContact OD2-OG1 2.66Å | ||
| 33 | T | 97.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 16.4 Ų | 16.4 | 34% | 0.344 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -116.2 | -13.6 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | K31 D40 N42 G43 | K31-T33 HydrophobicContact CG-CG2 4.22Å; T33-D40 PolarHBondContact N-OD2 2.81Å; T33-D40 VanDerWaalsContact OG1-CG 3.25Å; T33-D40 PolarHBondContact OG1-OD1 2.83Å; T33-D40 PolarHBondContact OG1-OD2 3.3Å; T33-N42 WeakPolarHBondContact OG1-CB 3.28Å; T33-G43 VanDerWaalsContact CG2-CA 3.43Å |
| 34 | S | 97.2 | Very high | 98.3 | Very high | 72 Ų | 72 | 16.4 Ų | 16.4 | 50% | 0.503 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -81.1 | -21.8 | 176.8 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | D32 N36 D40 | D32-S34 WeakPolarHBondContact OD1-CA 3.43Å; D32-S34 PolarHBondContact OD1-N 2.5Å; D32-S34 PolarHBondContact OD1-OG 3.09Å; S34-N36 PolarHBondContact OG-N 2.83Å; S34-N36 PolarHBondContact OG-ND2 3.03Å; S34-N36 VanDerWaalsContact OG-ND2 3.08Å; S34-N36 PolarHBondContact OG-OD1 3.45Å; S34-N36 VanDerWaalsContact OG-OD1 3.13Å; S34-D40 PolarHBondContact N-OD2 2.89Å; S34-D40 VanDerWaalsContact N-OD2 3.07Å |
| 35 | G | 96.9 | Very high | 98.3 | Very high | 20 Ų | 20 | 18.9 Ų | 18.9 | 21% | 0.206 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 79.7 | 20.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D32 C437 | D32-G35 PolarHBondContact OD1-N 2.82Å; D32-G35 VanDerWaalsContact OD2-CA 3.31Å; D32-G35 WeakPolarHBondContact OD2-CA 3.46Å; D32-G35 PolarHBondContact OD2-N 3.19Å; G35-C437 WeakPolarHBondContact O-CA 3.43Å; G35-C437 WeakPolarHBondContact O-CB 3.38Å; G35-C437 PolarHBondContact O-SG 3.12Å; G35-C437 VanDerWaalsContact O-SG 3.35Å |
| 36 | N | 96.9 | Very high | 98.3 | Very high | 70 Ų | 70 | 23.9 Ų | 23.9 | 37% | 0.374 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -97.6 | 2.7 | 177.8 | 70.7 | 11.6 | 0 | 0 | 0 | 113.7 | D32 S34 I38 | D32-N36 PolarHBondContact OD2-N 3.3Å; D32-N36 VanDerWaalsContact OD2-N 3.09Å; S34-N36 PolarHBondContact OG-N 2.83Å; S34-N36 PolarHBondContact OG-ND2 3.03Å; S34-N36 VanDerWaalsContact OG-ND2 3.08Å; S34-N36 PolarHBondContact OG-OD1 3.45Å; S34-N36 VanDerWaalsContact OG-OD1 3.13Å; N36-I38 VanDerWaalsContact C-N 3.35Å; N36-I38 WeakPolarHBondContact OD1-CA 3.43Å; N36-I38 WeakPolarHBondContact OD1-CB 3.03Å; N36-I38 PolarHBondContact OD1-N 2.79Å; N36-I38 PolarHBondContact OD1-O 2.86Å; N36-I38 VanDerWaalsContact OD1-O 3.1Å |
| 37 | G | 97.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 86 | 0.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D32 F434 G440 W442 | D32-G37 WeakPolarHBondContact OD2-CA 3.23Å; D32-G37 PolarHBondContact OD2-N 3.09Å; G37-F434 VanDerWaalsContact O-CE1 3.31Å; G37-F434 WeakPolarHBondContact O-CE1 3.46Å; G37-G440 WeakPolarHBondContact CA-O 3.5Å; G37-W442 WeakPolarHBondContact O-CB 3.46Å; G37-W442 PolarHBondContact O-N 2.81Å |
| 38 | I | 98.3 | Very high | 98.3 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 14% | 0.138 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -123.6 | 131.6 | -176.8 | -64.1 | 168.1 | 0 | 0 | 0 | 109.3 | R28 D32 N36 L85 F86 W442 | R28-I38 HydrophobicContact CB-CG2 3.98Å; R28-I38 HydrophobicContact CG-CG2 3.79Å; D32-I38 VanDerWaalsContact CB-O 3.26Å; D32-I38 WeakPolarHBondContact CB-O 3.47Å; D32-I38 VanDerWaalsContact CG-O 3.23Å; N36-I38 VanDerWaalsContact C-N 3.35Å; N36-I38 WeakPolarHBondContact OD1-CA 3.43Å; N36-I38 WeakPolarHBondContact OD1-CB 3.03Å; N36-I38 PolarHBondContact OD1-N 2.79Å; N36-I38 PolarHBondContact OD1-O 2.86Å; N36-I38 VanDerWaalsContact OD1-O 3.1Å; I38-L85 HydrophobicContact CB-CD1 4.11Å; I38-L85 HydrophobicContact CD1-CD1 3.74Å; I38-L85 HydrophobicContact CD1-CD2 4.1Å; I38-L85 HydrophobicContact CD1-CG 4.42Å; I38-L85 HydrophobicContact CG1-CD1 4.49Å; I38-L85 HydrophobicContact CG2-CD1 4.11Å; I38-L85 HydrophobicContact CG2-CD2 4Å; I38-L85 HydrophobicContact CG2-CG 3.96Å; I38-F86 HydrophobicContact CG2-CE1 4.32Å; I38-W442 HydrophobicContact CD1-CB 4.34Å; I38-W442 HydrophobicContact CG1-CB 3.58Å; I38-W442 HydrophobicContact CG1-CG 4.01Å |
| 39 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -68.8 | 148.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | P27 R28 K31 F86 | P27-G39 CarbonylContact C-O 3.45Å; P27-G39 CarbonylContact O-C 3.59Å; P27-G39 VanDerWaalsContact O-C 3.27Å; P27-G39 WeakPolarHBondContact O-CA 3.41Å; R28-G39 PolarHBondContact O-N 3.04Å; K31-G39 VanDerWaalsContact C-CA 3.43Å; K31-G39 CarbonylContact O-C 3.6Å; K31-G39 WeakPolarHBondContact O-CA 3.2Å; G39-F86 VanDerWaalsContact O-CD1 3.26Å; G39-F86 WeakPolarHBondContact O-CD1 3.29Å | ||
| 40 | D | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | trans | -135.9 | 172.3 | -169.2 | 59.9 | 51.9 | 0 | 0 | 0 | 112.3 | K31 T33 S34 N42 G43 I44 | K31-D40 PolarHBondContact O-N 3.19Å; T33-D40 PolarHBondContact N-OD2 2.81Å; T33-D40 VanDerWaalsContact OG1-CG 3.25Å; T33-D40 PolarHBondContact OG1-OD1 2.83Å; T33-D40 PolarHBondContact OG1-OD2 3.3Å; S34-D40 PolarHBondContact N-OD2 2.89Å; S34-D40 VanDerWaalsContact N-OD2 3.07Å; D40-N42 VanDerWaalsContact C-N 3.27Å; D40-N42 PolarHBondContact O-N 2.86Å; D40-N42 WeakPolarHBondContact OD1-CB 3.35Å; D40-N42 PolarHBondContact OD1-N 2.86Å; D40-N42 VanDerWaalsContact OD1-N 3.15Å; D40-G43 PolarHBondContact O-N 3.26Å; D40-G43 PolarHBondContact OD1-N 2.99Å; D40-I44 PolarHBondContact O-N 3.07Å | ||
| 41 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -33.5 | -177.6 | -68.7 | 173.2 | 0 | 0 | 0 | 112.5 | G43 I44 R45 I61 V64 V82 F86 D91 L92 L95 | L41-G43 VanDerWaalsContact C-N 3.29Å; L41-G43 PolarHBondContact O-N 2.83Å; L41-I44 HydrophobicContact CD2-CD1 4.49Å; L41-I44 PolarHBondContact O-N 3.32Å; L41-R45 PolarHBondContact O-N 2.88Å; L41-I61 HydrophobicContact CD2-CD1 4.23Å; L41-V64 HydrophobicContact CD2-CG1 4.24Å; L41-V64 HydrophobicContact CD2-CG2 4.5Å; L41-V82 HydrophobicContact CD1-CG1 3.71Å; L41-V82 HydrophobicContact CD1-CG2 4.2Å; L41-F86 WeakPolarHBondContact CB-O 3.4Å; L41-F86 HydrophobicContact CG-CB 4.34Å; L41-F86 WeakPolarHBondContact CG-O 3.42Å; L41-F86 PolarHBondContact N-O 3.3Å; L41-D91 HydrophobicContact CB-CB 4.44Å; L41-D91 HydrophobicContact CD1-CB 4.28Å; L41-L92 HydrophobicContact CD1-CB 3.76Å; L41-L92 HydrophobicContact CD1-CD1 4.08Å; L41-L92 HydrophobicContact CD2-CD1 3.76Å; L41-L95 HydrophobicContact CD2-CD2 4.11Å |
| 42 | N | 98.7 | Very high | 98.2 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 21% | 0.214 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 177.7 | -70.7 | -28.5 | 0 | 0 | 0 | 111.1 | T33 D40 R45 E46 D91 | T33-N42 WeakPolarHBondContact OG1-CB 3.28Å; D40-N42 VanDerWaalsContact C-N 3.27Å; D40-N42 PolarHBondContact O-N 2.86Å; D40-N42 WeakPolarHBondContact OD1-CB 3.35Å; D40-N42 PolarHBondContact OD1-N 2.86Å; D40-N42 VanDerWaalsContact OD1-N 3.15Å; N42-R45 PolarHBondContact O-N 3.06Å; N42-R45 PolarHBondContact OD1-NH1 3.1Å; N42-R45 PolarHBondContact OD1-NH2 3.16Å; N42-E46 WeakPolarHBondContact O-CB 3.43Å; N42-E46 PolarHBondContact O-N 2.92Å; N42-D91 PolarHBondContact ND2-OD1 3.38Å; N42-D91 PolarHBondContact OD1-OD1 3.14Å |
| 43 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T33 D40 L41 K47 | T33-G43 VanDerWaalsContact CG2-CA 3.43Å; D40-G43 PolarHBondContact O-N 3.26Å; D40-G43 PolarHBondContact OD1-N 2.99Å; L41-G43 VanDerWaalsContact C-N 3.29Å; L41-G43 PolarHBondContact O-N 2.83Å; G43-K47 VanDerWaalsContact O-CG 3.32Å; G43-K47 WeakPolarHBondContact O-CG 3.32Å |
| 44 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 171.8 | -58.4 | 175 | 0 | 0 | 0 | 110.2 | I25 F30 D40 L41 E46 K47 L48 L59 I61 L95 | I25-I44 HydrophobicContact CD1-CD1 4.38Å; I25-I44 HydrophobicContact CD1-CG1 4.41Å; I25-I44 HydrophobicContact CD1-CG2 3.84Å; I25-I44 HydrophobicContact CG2-CD1 3.93Å; I25-I44 HydrophobicContact CG2-CG1 4.21Å; F30-I44 HydrophobicContact CD1-CB 4.39Å; F30-I44 HydrophobicContact CD1-CG1 3.74Å; F30-I44 HydrophobicContact CE1-CB 4.49Å; F30-I44 HydrophobicContact CE1-CG1 4.28Å; D40-I44 PolarHBondContact O-N 3.07Å; L41-I44 HydrophobicContact CD2-CD1 4.49Å; L41-I44 PolarHBondContact O-N 3.32Å; I44-E46 PolarHBondContact O-N 3.3Å; I44-K47 PolarHBondContact O-N 2.89Å; I44-K47 VanDerWaalsContact O-N 3.1Å; I44-L48 PolarHBondContact O-N 2.87Å; I44-L59 HydrophobicContact CG2-CD1 4.08Å; I44-I61 HydrophobicContact CD1-CG2 3.81Å; I44-L95 HydrophobicContact CB-CD2 4.26Å; I44-L95 HydrophobicContact CG2-CD1 4.08Å; I44-L95 HydrophobicContact CG2-CD2 4.05Å |
| 45 | R | 98.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 20% | 0.2 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 179.5 | -168.6 | 173 | 68.6 | -139 | -1 | 112.5 | L41 N42 K47 L48 D91 L94 L95 E98 | L41-R45 PolarHBondContact O-N 2.88Å; N42-R45 PolarHBondContact O-N 3.06Å; N42-R45 PolarHBondContact OD1-NH1 3.1Å; N42-R45 PolarHBondContact OD1-NH2 3.16Å; R45-K47 PolarHBondContact O-N 3.13Å; R45-K47 VanDerWaalsContact O-N 3.15Å; R45-L48 HydrophobicContact CG-CD1 4.32Å; R45-L48 VanDerWaalsContact O-CG 3.31Å; R45-L48 WeakPolarHBondContact O-CG 3.47Å; R45-L48 PolarHBondContact O-N 3.36Å; R45-D91 IonicContact NH1-OD1 3.19Å; R45-L94 VanDerWaalsContact NH1-CD2 3.31Å; R45-L95 HydrophobicContact CB-CD1 3.98Å; R45-L95 HydrophobicContact CG-CD1 4.39Å; R45-E98 WeakPolarHBondContact CD-OE1 3.22Å; R45-E98 IonicContact NE-OE1 3.89Å |
| 46 | E | 98.3 | Very high | 98.2 | Very high | 104 Ų | 104 | 29.3 Ų | 29.3 | 49% | 0.486 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.7 | -30.3 | 177.3 | -166.3 | -164.4 | 119.4 | 0 | 0 | 112.1 | N42 I44 | N42-E46 WeakPolarHBondContact O-CB 3.43Å; N42-E46 PolarHBondContact O-N 2.92Å; I44-E46 PolarHBondContact O-N 3.3Å |
| 47 | K | 98.3 | Very high | 98.3 | Very high | 34 Ų | 34 | 29.9 Ų | 29.9 | 15% | 0.148 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 11 | -175.2 | -55.2 | -58.4 | -174.2 | -154.8 | 0 | 113.9 | F30 G43 I44 R45 S49 Y50 F51 W425 | F30-K47 HydrophobicContact CE1-CB 3.9Å; F30-K47 HydrophobicContact CE1-CG 4.12Å; F30-K47 HydrophobicContact CZ-CB 4.21Å; G43-K47 VanDerWaalsContact O-CG 3.32Å; G43-K47 WeakPolarHBondContact O-CG 3.32Å; I44-K47 PolarHBondContact O-N 2.89Å; I44-K47 VanDerWaalsContact O-N 3.1Å; R45-K47 PolarHBondContact O-N 3.13Å; R45-K47 VanDerWaalsContact O-N 3.15Å; K47-S49 PolarHBondContact O-N 2.82Å; K47-S49 VanDerWaalsContact O-N 3.16Å; K47-Y50 VanDerWaalsContact O-CB 3.26Å; K47-Y50 WeakPolarHBondContact O-CB 3.36Å; K47-Y50 PolarHBondContact O-N 3.3Å; K47-F51 WeakPolarHBondContact O-CD2 3.26Å; K47-F51 PolarHBondContact O-N 2.86Å; K47-W425 HydrophobicContact CB-CH2 3.73Å; K47-W425 HydrophobicContact CB-CZ2 4.15Å; K47-W425 HydrophobicContact CB-CZ3 4.31Å; K47-W425 HydrophobicContact CD-CD2 4.16Å; K47-W425 HydrophobicContact CD-CE3 3.91Å; K47-W425 HydrophobicContact CD-CH2 3.83Å; K47-W425 HydrophobicContact CD-CZ2 4.06Å; K47-W425 HydrophobicContact CD-CZ3 3.74Å; K47-W425 HydrophobicContact CG-CE3 4.46Å; K47-W425 HydrophobicContact CG-CH2 3.51Å; K47-W425 HydrophobicContact CG-CZ2 3.56Å; K47-W425 HydrophobicContact CG-CZ3 3.98Å |
| 48 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.2 | -37 | 174 | -69.8 | 179 | 0 | 0 | 0 | 113.1 | I44 R45 Y50 F51 E52 L59 L95 E98 M99 M104 | I44-L48 PolarHBondContact O-N 2.87Å; R45-L48 HydrophobicContact CG-CD1 4.32Å; R45-L48 VanDerWaalsContact O-CG 3.31Å; R45-L48 WeakPolarHBondContact O-CG 3.47Å; R45-L48 PolarHBondContact O-N 3.36Å; L48-Y50 PolarHBondContact O-N 3.16Å; L48-F51 HydrophobicContact CD2-CD2 4.33Å; L48-F51 PolarHBondContact O-N 3.32Å; L48-F51 VanDerWaalsContact O-N 3.14Å; L48-E52 PolarHBondContact O-N 3.43Å; L48-L59 HydrophobicContact CD2-CD1 4.27Å; L48-L95 HydrophobicContact CD1-CD1 4.24Å; L48-L95 HydrophobicContact CD2-CD1 4.08Å; L48-L95 HydrophobicContact CG-CD1 4.38Å; L48-E98 HydrophobicContact CD1-CB 3.76Å; L48-M99 HydrophobicContact CD1-CG 4.19Å; L48-M99 HydrophobicContact CD2-CG 3.56Å; L48-M99 HydrophobicContact CD2-SD 4.33Å; L48-M104 HydrophobicContact CD2-SD 4.18Å |
| 49 | S | 98.3 | Very high | 98.3 | Very high | 69 Ų | 69 | 28.5 Ų | 28.5 | 48% | 0.483 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64 | -25.1 | 176.4 | 66 | 0 | 0 | 0 | 0 | 114.1 | K47 W53 | K47-S49 PolarHBondContact O-N 2.82Å; K47-S49 VanDerWaalsContact O-N 3.16Å; S49-W53 WeakPolarHBondContact O-CB 3.47Å; S49-W53 PolarHBondContact O-N 3.3Å |
| 50 | Y | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.6 | -42.8 | 173.7 | 168.1 | -110.4 | 0 | 0 | 0 | 111 | K47 L48 W53 L54 E383 W425 V454 L465 | K47-Y50 VanDerWaalsContact O-CB 3.26Å; K47-Y50 WeakPolarHBondContact O-CB 3.36Å; K47-Y50 PolarHBondContact O-N 3.3Å; L48-Y50 PolarHBondContact O-N 3.16Å; Y50-W53 HydrophobicContact CD2-CE3 4.29Å; Y50-W53 HydrophobicContact CE2-CE3 4.31Å; Y50-W53 HydrophobicContact CE2-CZ3 4.34Å; Y50-W53 PolarHBondContact O-N 3.34Å; Y50-L54 HydrophobicContact CD1-CD1 4.27Å; Y50-L54 HydrophobicContact CE1-CD1 3.6Å; Y50-L54 HydrophobicContact CE2-CD1 3.92Å; Y50-L54 HydrophobicContact CE2-CG 4.06Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.41Å; Y50-L54 PolarHBondContact O-N 3.07Å; Y50-E383 PolarHBondContact OH-OE1 2.88Å; Y50-E383 VanDerWaalsContact OH-OE1 3.04Å; Y50-W425 AromaticContact CD1-CH2 3.9Å; Y50-W425 HydrophobicContact CD1-CH2 3.9Å; Y50-W425 AromaticContact CD1-CZ3 3.99Å; Y50-W425 HydrophobicContact CD1-CZ3 3.99Å; Y50-W425 HydrophobicContact CD2-CZ3 4.43Å; Y50-W425 HydrophobicContact CE1-CH2 4.29Å; Y50-W425 HydrophobicContact CE1-CZ3 4.39Å; Y50-W425 HydrophobicContact CG-CH2 4.33Å; Y50-W425 AromaticContact CG-CZ3 3.99Å; Y50-W425 HydrophobicContact CG-CZ3 3.99Å; Y50-V454 HydrophobicContact CD2-CG1 3.8Å; Y50-V454 HydrophobicContact CE2-CG1 3.48Å; Y50-V454 VanDerWaalsContact CE2-CG1 3.48Å; Y50-L465 HydrophobicContact CE2-CD1 4.11Å; Y50-L465 HydrophobicContact CE2-CD2 4.28Å; Y50-L465 VanDerWaalsContact OH-CD1 3.27Å; Y50-L465 WeakPolarHBondContact OH-CD1 3.43Å |
| 51 | F | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 175.3 | -60.2 | -58.8 | 0 | 0 | 0 | 112.1 | Y23 I25 F30 K47 L48 W53 L54 G55 V56 L59 M104 | Y23-F51 AromaticContact CD1-CE1 3.67Å; Y23-F51 HydrophobicContact CD1-CE1 3.67Å; Y23-F51 HydrophobicContact CD1-CZ 4.27Å; Y23-F51 HydrophobicContact CD2-CE1 4.42Å; Y23-F51 AromaticContact CE1-CE1 3.73Å; Y23-F51 HydrophobicContact CE1-CE1 3.73Å; Y23-F51 HydrophobicContact CE1-CZ 4.26Å; Y23-F51 HydrophobicContact CE2-CE1 4.47Å; Y23-F51 HydrophobicContact CG-CE1 4.02Å; I25-F51 HydrophobicContact CD1-CE2 4.09Å; I25-F51 HydrophobicContact CD1-CZ 3.59Å; I25-F51 HydrophobicContact CG1-CZ 4.34Å; F30-F51 HydrophobicContact CE1-CE2 4.32Å; F30-F51 HydrophobicContact CE1-CZ 4.12Å; F30-F51 AromaticContact CE2-CZ 3.98Å; F30-F51 HydrophobicContact CE2-CZ 3.98Å; F30-F51 HydrophobicContact CZ-CE1 4.26Å; F30-F51 AromaticContact CZ-CE2 3.93Å; F30-F51 HydrophobicContact CZ-CE2 3.93Å; F30-F51 AromaticContact CZ-CZ 3.35Å; F30-F51 HydrophobicContact CZ-CZ 3.35Å; K47-F51 WeakPolarHBondContact O-CD2 3.26Å; K47-F51 PolarHBondContact O-N 2.86Å; L48-F51 HydrophobicContact CD2-CD2 4.33Å; L48-F51 PolarHBondContact O-N 3.32Å; L48-F51 VanDerWaalsContact O-N 3.14Å; F51-W53 VanDerWaalsContact C-N 3.35Å; F51-W53 PolarHBondContact O-N 3.18Å; F51-L54 PolarHBondContact O-N 3.49Å; F51-G55 PolarHBondContact O-N 3.21Å; F51-V56 HydrophobicContact CB-CB 4.15Å; F51-V56 HydrophobicContact CD1-CB 4.18Å; F51-V56 HydrophobicContact CD1-CG1 4.17Å; F51-V56 PolarHBondContact O-N 2.6Å; F51-L59 HydrophobicContact CD1-CD2 3.8Å; F51-L59 HydrophobicContact CD2-CD1 3.86Å; F51-L59 HydrophobicContact CD2-CD2 3.93Å; F51-L59 HydrophobicContact CE1-CD2 3.77Å; F51-L59 HydrophobicContact CE2-CD1 3.67Å; F51-L59 HydrophobicContact CE2-CD2 3.91Å; F51-L59 HydrophobicContact CE2-CG 4.47Å; F51-L59 HydrophobicContact CG-CD2 3.89Å; F51-L59 HydrophobicContact CZ-CD1 4.26Å; F51-L59 HydrophobicContact CZ-CD2 3.82Å; F51-M104 HydrophobicContact CB-CE 3.86Å; F51-M104 HydrophobicContact CB-SD 4.37Å |
| 52 | E | 97.8 | Very high | 98.3 | Very high | 98 Ų | 98 | 28.6 Ų | 28.6 | 46% | 0.458 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 171.8 | -70.1 | -178 | 121.4 | 0 | 0 | 111.5 | L48 L54 G55 R102 M104 | L48-E52 PolarHBondContact O-N 3.43Å; E52-L54 VanDerWaalsContact C-N 3.32Å; E52-L54 PolarHBondContact O-N 2.82Å; E52-G55 PolarHBondContact O-N 3.45Å; E52-R102 WeakPolarHBondContact OE1-CD 3.36Å; E52-R102 WeakPolarHBondContact OE1-CG 3.29Å; E52-R102 IonicContact OE1-NE 3.86Å; E52-R102 IonicContact OE2-NE 3.72Å; E52-M104 HydrophobicContact CB-CE 4.2Å; E52-M104 HydrophobicContact CG-CE 3.29Å |
| 53 | W | 97.7 | Very high | 98.3 | Very high | 60 Ų | 60 | 26.9 Ų | 26.9 | 23% | 0.227 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 178.1 | 175.1 | 81.4 | 0 | 0 | 0 | 112.4 | S49 Y50 F51 R458 L465 K469 | S49-W53 WeakPolarHBondContact O-CB 3.47Å; S49-W53 PolarHBondContact O-N 3.3Å; Y50-W53 HydrophobicContact CD2-CE3 4.29Å; Y50-W53 HydrophobicContact CE2-CE3 4.31Å; Y50-W53 HydrophobicContact CE2-CZ3 4.34Å; Y50-W53 PolarHBondContact O-N 3.34Å; F51-W53 VanDerWaalsContact C-N 3.35Å; F51-W53 PolarHBondContact O-N 3.18Å; W53-R458 VanDerWaalsContact CD1-NH2 3.26Å; W53-R458 HydrophobicContact CH2-CB 4.48Å; W53-R458 HydrophobicContact CH2-CG 3.97Å; W53-R458 HydrophobicContact CZ2-CG 3.73Å; W53-R458 HydrophobicContact CZ3-CG 4.5Å; W53-L465 HydrophobicContact CH2-CD2 4.06Å; W53-L465 HydrophobicContact CH2-CG 3.97Å; W53-L465 HydrophobicContact CZ3-CD1 4.13Å; W53-L465 HydrophobicContact CZ3-CD2 3.86Å; W53-L465 HydrophobicContact CZ3-CG 3.81Å; W53-K469 HydrophobicContact CD2-CD 4.02Å; W53-K469 HydrophobicContact CE3-CD 4.17Å; W53-K469 HydrophobicContact CH2-CB 4.5Å; W53-K469 HydrophobicContact CH2-CD 3.59Å; W53-K469 HydrophobicContact CZ2-CD 3.39Å; W53-K469 HydrophobicContact CZ3-CD 3.98Å; W53-K469 WeakPolarHBondContact O-CE 3.44Å |
| 54 | L | 97.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.2 | -32.3 | 174.5 | -82 | -178.8 | 0 | 0 | 0 | 113.1 | Y50 F51 E52 V56 L465 F468 K469 L472 | Y50-L54 HydrophobicContact CD1-CD1 4.27Å; Y50-L54 HydrophobicContact CE1-CD1 3.6Å; Y50-L54 HydrophobicContact CE2-CD1 3.92Å; Y50-L54 HydrophobicContact CE2-CG 4.06Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.41Å; Y50-L54 PolarHBondContact O-N 3.07Å; F51-L54 PolarHBondContact O-N 3.49Å; E52-L54 VanDerWaalsContact C-N 3.32Å; E52-L54 PolarHBondContact O-N 2.82Å; L54-V56 HydrophobicContact CB-CG2 4.01Å; L54-V56 HydrophobicContact CD1-CG2 4.32Å; L54-L465 HydrophobicContact CD2-CD1 3.77Å; L54-F468 HydrophobicContact CD2-CD1 4.26Å; L54-K469 HydrophobicContact CD2-CB 4.12Å; L54-L472 HydrophobicContact CB-CD1 4.27Å; L54-L472 WeakPolarHBondContact O-CD1 3.2Å |
| 55 | G | 96.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 41% | 0.412 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 19 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F51 E52 | F51-G55 PolarHBondContact O-N 3.21Å; E52-G55 PolarHBondContact O-N 3.45Å |
| 56 | V | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | trans | -80.9 | 133.8 | 173.9 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | I21 Y23 F51 L54 L59 L472 | I21-V56 HydrophobicContact CD1-CG2 3.86Å; I21-V56 HydrophobicContact CG1-CG1 4.34Å; I21-V56 HydrophobicContact CG1-CG2 3.98Å; Y23-V56 HydrophobicContact CD2-CG2 4.34Å; Y23-V56 HydrophobicContact CG-CG1 4.43Å; F51-V56 HydrophobicContact CB-CB 4.15Å; F51-V56 HydrophobicContact CD1-CB 4.18Å; F51-V56 HydrophobicContact CD1-CG1 4.17Å; F51-V56 PolarHBondContact O-N 2.6Å; L54-V56 HydrophobicContact CB-CG2 4.01Å; L54-V56 HydrophobicContact CD1-CG2 4.32Å; V56-L59 HydrophobicContact CG1-CD2 3.91Å; V56-L472 HydrophobicContact CG2-CD1 4.05Å | ||
| 57 | K | 97.9 | Very high | 98.4 | Very high | 82 Ų | 82 | 21 Ų | 21 | 36% | 0.357 | 12% | 0.116 | S | C | . | . | trans | -124.4 | -4.9 | 180 | -56.3 | -178.8 | -178 | 175.7 | 0 | 114.3 | T20 M104 F105 | T20-K57 HydrophobicContact CG2-CB 4.03Å; T20-K57 WeakPolarHBondContact OG1-CB 3.38Å; T20-K57 PolarHBondContact OG1-N 3.04Å; K57-M104 CarbonylContact O-C 3.58Å; K57-M104 WeakPolarHBondContact O-CA 3.49Å; K57-M104 WeakPolarHBondContact O-CB 3.38Å; K57-F105 WeakPolarHBondContact O-CD2 3.33Å; K57-F105 PolarHBondContact O-N 3.01Å | ||
| 58 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | W16 T20 I22 Y23 F105 | W16-A58 HydrophobicContact CE3-CB 4.09Å; W16-A58 HydrophobicContact CH2-CB 4.41Å; W16-A58 HydrophobicContact CZ3-CB 3.56Å; T20-A58 HydrophobicContact CG2-CB 3.86Å; I22-A58 HydrophobicContact CG1-CB 4.18Å; Y23-A58 PolarHBondContact N-O 3.03Å; A58-F105 WeakPolarHBondContact CA-O 3.41Å; A58-F105 HydrophobicContact CB-CB 4.42Å |
| 59 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.4 | 176.1 | -51.8 | -177.9 | 0 | 0 | 0 | 108.5 | Y23 I25 I44 L48 F51 V56 M99 F105 L106 V107 | Y23-L59 WeakPolarHBondContact O-CA 3.41Å; I25-L59 HydrophobicContact CD1-CB 4.25Å; I25-L59 HydrophobicContact CD1-CD1 3.96Å; I25-L59 HydrophobicContact CD1-CD2 4.23Å; I25-L59 HydrophobicContact CD1-CG 4.37Å; I44-L59 HydrophobicContact CG2-CD1 4.08Å; L48-L59 HydrophobicContact CD2-CD1 4.27Å; F51-L59 HydrophobicContact CD1-CD2 3.8Å; F51-L59 HydrophobicContact CD2-CD1 3.86Å; F51-L59 HydrophobicContact CD2-CD2 3.93Å; F51-L59 HydrophobicContact CE1-CD2 3.77Å; F51-L59 HydrophobicContact CE2-CD1 3.67Å; F51-L59 HydrophobicContact CE2-CD2 3.91Å; F51-L59 HydrophobicContact CE2-CG 4.47Å; F51-L59 HydrophobicContact CG-CD2 3.89Å; F51-L59 HydrophobicContact CZ-CD1 4.26Å; F51-L59 HydrophobicContact CZ-CD2 3.82Å; V56-L59 HydrophobicContact CG1-CD2 3.91Å; L59-M99 HydrophobicContact CB-CE 3.88Å; L59-M99 HydrophobicContact CD1-CE 3.63Å; L59-M99 HydrophobicContact CD1-SD 3.94Å; L59-M99 HydrophobicContact CG-CE 3.64Å; L59-F105 PolarHBondContact N-O 3.48Å; L59-L106 HydrophobicContact CB-CD1 4.22Å; L59-V107 PolarHBondContact O-N 2.89Å |
| 60 | W | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.9 | 165.7 | 162.8 | 27.9 | 0 | 0 | 0 | 107.7 | I22 Y23 Q24 I25 V107 D109 R212 M285 L307 I377 | I22-W60 HydrophobicContact CG2-CB 3.51Å; Y23-W60 PolarHBondContact O-N 3.42Å; Q24-W60 CarbonylContact C-O 3.21Å; Q24-W60 VanDerWaalsContact CA-O 3.28Å; Q24-W60 WeakPolarHBondContact CA-O 3.44Å; Q24-W60 HydrophobicContact CB-CD2 4.21Å; Q24-W60 HydrophobicContact CB-CE3 3.68Å; Q24-W60 HydrophobicContact CB-CZ3 4.2Å; Q24-W60 VanDerWaalsContact CD-CZ3 3.41Å; Q24-W60 HydrophobicContact CG-CD2 3.88Å; Q24-W60 HydrophobicContact CG-CE3 3.65Å; Q24-W60 HydrophobicContact CG-CG 4.47Å; Q24-W60 HydrophobicContact CG-CH2 4.42Å; Q24-W60 HydrophobicContact CG-CZ3 3.96Å; Q24-W60 VanDerWaalsContact NE2-CZ3 3.29Å; I25-W60 PolarHBondContact N-O 2.93Å; W60-V107 WeakPolarHBondContact CA-O 3.31Å; W60-V107 HydrophobicContact CB-CB 4.19Å; W60-V107 HydrophobicContact CB-CG1 4.37Å; W60-V107 HydrophobicContact CG-CG1 4.46Å; W60-D109 WeakPolarHBondContact CZ2-OD2 3.29Å; W60-D109 PolarHBondContact NE1-OD2 2.75Å; W60-R212 HydrophobicContact CD2-CB 4.34Å; W60-R212 HydrophobicContact CH2-CG 3.92Å; W60-R212 HydrophobicContact CZ2-CB 4.01Å; W60-R212 VanDerWaalsContact CZ2-CD 3.4Å; W60-R212 HydrophobicContact CZ2-CG 3.48Å; W60-R212 VanDerWaalsContact CZ2-CG 3.48Å; W60-M285 HydrophobicContact CB-CE 4.34Å; W60-M285 HydrophobicContact CD2-CE 3.48Å; W60-M285 VanDerWaalsContact CD2-CE 3.48Å; W60-M285 HydrophobicContact CE3-CE 3.36Å; W60-M285 HydrophobicContact CG-CE 3.91Å; W60-M285 HydrophobicContact CH2-CE 4.38Å; W60-M285 HydrophobicContact CZ3-CE 3.83Å; W60-L307 HydrophobicContact CH2-CD1 4.27Å; W60-L307 HydrophobicContact CZ3-CD1 4.42Å; W60-I377 HydrophobicContact CE3-CG2 4.18Å; W60-I377 HydrophobicContact CZ3-CG2 4.13Å |
| 61 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.3 | 176.2 | 61.9 | 174.2 | 0 | 0 | 0 | 109.6 | I25 P27 L41 I44 V64 L92 L106 V107 D109 | I25-I61 HydrophobicContact CB-CG2 4.24Å; I25-I61 HydrophobicContact CD1-CG2 4.43Å; P27-I61 HydrophobicContact CG-CB 4.35Å; L41-I61 HydrophobicContact CD2-CD1 4.23Å; I44-I61 HydrophobicContact CD1-CG2 3.81Å; I61-V64 HydrophobicContact CD1-CG1 4.41Å; I61-V64 HydrophobicContact CD1-CG2 4.16Å; I61-L92 HydrophobicContact CD1-CD1 4.03Å; I61-L106 HydrophobicContact CD1-CD1 4.13Å; I61-L106 HydrophobicContact CD1-CD2 4.26Å; I61-L106 HydrophobicContact CG1-CD1 4.11Å; I61-L106 HydrophobicContact CG2-CD1 3.91Å; I61-V107 PolarHBondContact N-O 2.93Å; I61-D109 WeakPolarHBondContact O-CB 3.11Å; I61-D109 PolarHBondContact O-N 3.01Å |
| 62 | S | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 165.2 | 165.8 | -71.2 | 0 | 0 | 0 | 0 | 110.9 | I25 V64 | I25-S62 PolarHBondContact O-N 2.68Å; S62-V64 PolarHBondContact O-N 3.36Å |
| 63 | P | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -52.5 | 134 | -170.8 | -30 | 37.3 | 0 | 0 | 0 | 114 | Y65 G73 Y74 D109 V111 | P63-Y65 HydrophobicContact CB-CD2 4Å; P63-Y65 HydrophobicContact CB-CE2 4.33Å; P63-G73 VanDerWaalsContact CB-O 3.27Å; P63-G73 WeakPolarHBondContact CB-O 3.12Å; P63-Y74 VanDerWaalsContact CD-OH 3.28Å; P63-Y74 WeakPolarHBondContact CD-OH 3.23Å; P63-Y74 HydrophobicContact CG-CD1 3.98Å; P63-Y74 HydrophobicContact CG-CD2 4.26Å; P63-Y74 HydrophobicContact CG-CE1 3.71Å; P63-Y74 HydrophobicContact CG-CE2 4.03Å; P63-Y74 HydrophobicContact CG-CG 4.21Å; P63-D109 HydrophobicContact CG-CB 4Å; P63-V111 HydrophobicContact CG-CG2 4.24Å |
| 64 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -122.4 | 10.9 | 173.5 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | P27 L41 I61 S62 V82 D83 F86 M108 | P27-V64 HydrophobicContact CB-CG1 4.03Å; P27-V64 HydrophobicContact CG-CG1 3.66Å; L41-V64 HydrophobicContact CD2-CG1 4.24Å; L41-V64 HydrophobicContact CD2-CG2 4.5Å; I61-V64 HydrophobicContact CD1-CG1 4.41Å; I61-V64 HydrophobicContact CD1-CG2 4.16Å; S62-V64 PolarHBondContact O-N 3.36Å; V64-V82 HydrophobicContact CG2-CG2 4.42Å; V64-V82 CarbonylContact O-C 3.56Å; V64-V82 WeakPolarHBondContact O-CA 3.16Å; V64-D83 PolarHBondContact O-N 3.24Å; V64-F86 HydrophobicContact CB-CB 4.22Å; V64-F86 HydrophobicContact CB-CD2 3.72Å; V64-F86 HydrophobicContact CB-CE2 4.33Å; V64-F86 HydrophobicContact CB-CG 4.09Å; V64-F86 HydrophobicContact CG1-CB 4.29Å; V64-F86 HydrophobicContact CG1-CD1 4.46Å; V64-F86 HydrophobicContact CG1-CD2 3.97Å; V64-F86 HydrophobicContact CG1-CE2 4.4Å; V64-F86 HydrophobicContact CG1-CG 4Å; V64-M108 HydrophobicContact CG2-CE 3.99Å | ||
| 65 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 156 | 179.4 | -48.4 | -69.1 | 0 | 0 | 0 | 111.6 | P63 S67 I76 S81 M108 D109 M110 W203 | P63-Y65 HydrophobicContact CB-CD2 4Å; P63-Y65 HydrophobicContact CB-CE2 4.33Å; Y65-S67 PolarHBondContact O-N 3.44Å; Y65-S67 VanDerWaalsContact O-N 3.16Å; Y65-I76 HydrophobicContact CD2-CD1 3.31Å; Y65-I76 HydrophobicContact CD2-CG1 3.86Å; Y65-I76 HydrophobicContact CE2-CD1 3.77Å; Y65-I76 HydrophobicContact CG-CD1 4.16Å; Y65-I76 HydrophobicContact CG-CG1 4.43Å; Y65-I76 HydrophobicContact CG-CG2 4.33Å; Y65-S81 CarbonylContact C-O 3.56Å; Y65-S81 WeakPolarHBondContact CA-O 3.46Å; Y65-M108 HydrophobicContact CD1-CE 4.3Å; Y65-M108 HydrophobicContact CE1-CE 3.42Å; Y65-M108 VanDerWaalsContact CE1-CE 3.42Å; Y65-D109 WeakPolarHBondContact CE2-O 3.31Å; Y65-D109 PolarHBondContact OH-O 3.29Å; Y65-D109 VanDerWaalsContact OH-O 3.1Å; Y65-M110 WeakPolarHBondContact OH-CE 3.28Å; Y65-W203 AromaticContact CD1-CZ2 3.62Å; Y65-W203 HydrophobicContact CD1-CZ2 3.62Å; Y65-W203 HydrophobicContact CE1-CD2 4.37Å; Y65-W203 AromaticContact CE1-CE2 3.48Å; Y65-W203 VanDerWaalsContact CE1-CE2 3.48Å; Y65-W203 AromaticContact CE1-CZ2 3.57Å; Y65-W203 HydrophobicContact CE1-CZ2 3.57Å; Y65-W203 AromaticContact CE1-NE1 3.38Å |
| 66 | C | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 14.2 Ų | 14.2 | 16% | 0.162 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.5 | 120.4 | 170.6 | -79.3 | 0 | 0 | 0 | 0 | 111.4 | S77 D78 S81 D83 | C66-S77 PolarHBondContact O-N 2.83Å; C66-S77 PolarHBondContact O-OG 2.83Å; C66-D78 HydrophobicContact CB-CB 3.86Å; C66-D78 PolarHBondContact O-N 3.19Å; C66-S81 PolarHBondContact N-O 3.19Å; C66-D83 WeakPolarHBondContact CA-OD2 3.37Å |
| 67 | S | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 6% | 0.063 | 9% | 0.086 | C | C | . | . | trans | -149.4 | 144.7 | -174.7 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | Y65 M69 D75 D83 | Y65-S67 PolarHBondContact O-N 3.44Å; Y65-S67 VanDerWaalsContact O-N 3.16Å; S67-M69 WeakPolarHBondContact O-CG 3.31Å; S67-M69 PolarHBondContact O-N 2.95Å; S67-M69 VanDerWaalsContact O-N 3.13Å; S67-M69 PolarHBondContact OG-N 3.11Å; S67-D75 VanDerWaalsContact CB-O 3.25Å; S67-D75 WeakPolarHBondContact CB-O 3.35Å; S67-D75 VanDerWaalsContact OG-CG 3.22Å; S67-D75 PolarHBondContact OG-O 3.03Å; S67-D75 PolarHBondContact OG-OD1 2.91Å; S67-D75 VanDerWaalsContact OG-OD1 3.07Å; S67-D75 PolarHBondContact OG-OD2 3.29Å; S67-D83 PolarHBondContact N-OD2 3.15Å | ||
| 68 | P | 98.1 | Very high | 98.2 | Very high | 60 Ų | 60 | 14 Ų | 14 | 39% | 0.39 | 8% | 0.082 | S | C | . | . | trans | -62.9 | -9.8 | 167.2 | -23 | 36.2 | 0 | 0 | 0 | 113.7 | V70 D75 S116 K118 | P68-V70 VanDerWaalsContact C-N 3.34Å; P68-V70 HydrophobicContact CB-CG2 4.24Å; P68-D75 VanDerWaalsContact CD-O 3.32Å; P68-D75 WeakPolarHBondContact CD-O 3.47Å; P68-D75 WeakPolarHBondContact CD-OD2 3.47Å; P68-S116 WeakPolarHBondContact CG-OG 3.2Å; P68-K118 HydrophobicContact CG-CB 3.95Å; P68-K118 HydrophobicContact CG-CG 3.82Å | ||
| 69 | M | 97 | Very high | 98.2 | Very high | 31 Ų | 31 | 14 Ų | 14 | 15% | 0.153 | 8% | 0.082 | C | C | . | . | trans | 67.7 | 27.9 | 176.5 | -59 | -66 | 164.3 | 0 | 0 | 114.2 | R28 S67 D71 F72 D75 D83 L85 F86 | R28-M69 VanDerWaalsContact NH2-CB 3.32Å; R28-M69 PolarHBondContact NH2-SD 3.48Å; S67-M69 WeakPolarHBondContact O-CG 3.31Å; S67-M69 PolarHBondContact O-N 2.95Å; S67-M69 VanDerWaalsContact O-N 3.13Å; S67-M69 PolarHBondContact OG-N 3.11Å; M69-D71 VanDerWaalsContact C-N 3.33Å; M69-F72 PolarHBondContact O-N 2.96Å; M69-D75 PolarHBondContact N-OD2 2.88Å; M69-D83 HydrophobicContact CE-CB 3.75Å; M69-D83 VanDerWaalsContact CE-OD2 3.29Å; M69-D83 WeakPolarHBondContact CE-OD2 3.46Å; M69-L85 HydrophobicContact CE-CD2 4.31Å; M69-L85 HydrophobicContact CG-CD2 4.42Å; M69-L85 HydrophobicContact SD-CD2 4.42Å; M69-F86 HydrophobicContact CE-CD2 4.41Å; M69-F86 HydrophobicContact CE-CE2 3.61Å; M69-F86 HydrophobicContact CE-CZ 4.27Å; M69-F86 HydrophobicContact SD-CE2 4.41Å | ||
| 70 | V | 96.7 | Very high | 98.2 | Very high | 52 Ų | 52 | 17.6 Ų | 17.6 | 32% | 0.315 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -40.5 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | P68 D75 L179 E181 P399 | P68-V70 VanDerWaalsContact C-N 3.34Å; P68-V70 HydrophobicContact CB-CG2 4.24Å; V70-D75 WeakPolarHBondContact CB-OD2 3.39Å; V70-D75 PolarHBondContact N-OD1 2.69Å; V70-D75 PolarHBondContact N-OD2 2.83Å; V70-L179 HydrophobicContact CG1-CD1 3.84Å; V70-E181 HydrophobicContact CG1-CB 4.28Å; V70-E181 HydrophobicContact CG1-CG 4.24Å; V70-E181 HydrophobicContact CG2-CB 4.48Å; V70-E181 HydrophobicContact CG2-CG 4.38Å; V70-P399 WeakPolarHBondContact O-CG 3.4Å |
| 71 | D | 96.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.027 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 42.9 | 171.4 | -164.5 | 10.6 | 0 | 0 | 0 | 110.7 | M69 G73 Y74 D75 L179 Q182 R416 | M69-D71 VanDerWaalsContact C-N 3.33Å; D71-G73 PolarHBondContact O-N 3.46Å; D71-Y74 WeakPolarHBondContact O-CD2 3.47Å; D71-Y74 PolarHBondContact O-N 3.44Å; D71-D75 PolarHBondContact N-OD1 3.39Å; D71-L179 HydrophobicContact CB-CD1 3.89Å; D71-Q182 PolarHBondContact OD2-NE2 3.49Å; D71-Q182 VanDerWaalsContact OD2-NE2 3.15Å; D71-R416 IonicContact OD1-CZ 3.75Å; D71-R416 IonicContact OD1-NH1 2.69Å; D71-R416 IonicContact OD1-NH2 2.89Å; D71-R416 PolarHBondContact OD1-NH2 2.63Å; D71-R416 IonicContact OD2-NH1 2.65Å; D71-R416 IonicContact OD2-NH2 3.86Å |
| 72 | F | 96.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 7% | 0.066 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 30.5 | 171.6 | -50.6 | -45.7 | 0 | 0 | 0 | 115.9 | Y26 M69 K397 D398 R420 W442 | Y26-F72 VanDerWaalsContact OH-CB 3.29Å; Y26-F72 WeakPolarHBondContact OH-CB 3.39Å; Y26-F72 WeakPolarHBondContact OH-CD2 3.45Å; M69-F72 PolarHBondContact O-N 2.96Å; F72-K397 HydrophobicContact CE1-CB 4.12Å; F72-K397 HydrophobicContact CZ-CB 3.74Å; F72-K397 WeakPolarHBondContact CZ-O 3.34Å; F72-D398 HydrophobicContact CE2-CB 4.24Å; F72-R420 VanDerWaalsContact CD2-NH1 3.33Å; F72-W442 HydrophobicContact CD1-CZ3 4.25Å; F72-W442 AromaticContact CE1-CZ3 3.88Å; F72-W442 HydrophobicContact CE1-CZ3 3.88Å; F72-W442 HydrophobicContact CE2-CH2 4.39Å; F72-W442 HydrophobicContact CE2-CZ3 4.31Å; F72-W442 HydrophobicContact CZ-CH2 4.41Å; F72-W442 AromaticContact CZ-CZ3 3.89Å; F72-W442 HydrophobicContact CZ-CZ3 3.89Å |
| 73 | G | 97.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.6 | -11.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P63 D71 D75 I76 | P63-G73 VanDerWaalsContact CB-O 3.27Å; P63-G73 WeakPolarHBondContact CB-O 3.12Å; D71-G73 PolarHBondContact O-N 3.46Å; G73-D75 VanDerWaalsContact C-N 3.35Å; G73-I76 VanDerWaalsContact O-CG1 3.31Å; G73-I76 WeakPolarHBondContact O-CG1 3.09Å |
| 74 | Y | 98.1 | Very high | 98.2 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -78 | -20 | 174.8 | -73.3 | -88.4 | 0 | 0 | 0 | 112.5 | P63 D71 I76 D109 V111 H114 D214 H347 | P63-Y74 VanDerWaalsContact CD-OH 3.28Å; P63-Y74 WeakPolarHBondContact CD-OH 3.23Å; P63-Y74 HydrophobicContact CG-CD1 3.98Å; P63-Y74 HydrophobicContact CG-CD2 4.26Å; P63-Y74 HydrophobicContact CG-CE1 3.71Å; P63-Y74 HydrophobicContact CG-CE2 4.03Å; P63-Y74 HydrophobicContact CG-CG 4.21Å; D71-Y74 WeakPolarHBondContact O-CD2 3.47Å; D71-Y74 PolarHBondContact O-N 3.44Å; Y74-I76 PolarHBondContact O-N 2.82Å; Y74-D109 PolarHBondContact OH-OD2 3.43Å; Y74-V111 HydrophobicContact CD1-CG2 3.64Å; Y74-V111 HydrophobicContact CE1-CG2 4.11Å; Y74-H114 PolarHBondContact O-NE2 3.22Å; Y74-D214 WeakPolarHBondContact CE1-OD1 3.21Å; Y74-H347 AromaticContact CE2-NE2 3.94Å; Y74-H347 AromaticContact CZ-NE2 3.52Å; Y74-H347 PolarHBondContact OH-CE1 3.24Å; Y74-H347 VanDerWaalsContact OH-CE1 3.3Å; Y74-H347 PolarHBondContact OH-NE2 2.91Å |
| 75 | D | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -86 | 76.7 | 167.1 | 58.1 | -55.8 | 0 | 0 | 0 | 111 | S67 P68 M69 V70 D71 G73 S116 Q182 | S67-D75 VanDerWaalsContact CB-O 3.25Å; S67-D75 WeakPolarHBondContact CB-O 3.35Å; S67-D75 VanDerWaalsContact OG-CG 3.22Å; S67-D75 PolarHBondContact OG-O 3.03Å; S67-D75 PolarHBondContact OG-OD1 2.91Å; S67-D75 VanDerWaalsContact OG-OD1 3.07Å; S67-D75 PolarHBondContact OG-OD2 3.29Å; P68-D75 VanDerWaalsContact CD-O 3.32Å; P68-D75 WeakPolarHBondContact CD-O 3.47Å; P68-D75 WeakPolarHBondContact CD-OD2 3.47Å; M69-D75 PolarHBondContact N-OD2 2.88Å; V70-D75 WeakPolarHBondContact CB-OD2 3.39Å; V70-D75 PolarHBondContact N-OD1 2.69Å; V70-D75 PolarHBondContact N-OD2 2.83Å; D71-D75 PolarHBondContact N-OD1 3.39Å; G73-D75 VanDerWaalsContact C-N 3.35Å; D75-S116 WeakPolarHBondContact O-CB 3.28Å; D75-Q182 HydrophobicContact CB-CG 4.03Å |
| 76 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -76.4 | 125.6 | -172.8 | -59 | 169.1 | 0 | 0 | 0 | 111.6 | Y65 G73 Y74 Y79 V111 T115 S116 H119 | Y65-I76 HydrophobicContact CD2-CD1 3.31Å; Y65-I76 HydrophobicContact CD2-CG1 3.86Å; Y65-I76 HydrophobicContact CE2-CD1 3.77Å; Y65-I76 HydrophobicContact CG-CD1 4.16Å; Y65-I76 HydrophobicContact CG-CG1 4.43Å; Y65-I76 HydrophobicContact CG-CG2 4.33Å; G73-I76 VanDerWaalsContact O-CG1 3.31Å; G73-I76 WeakPolarHBondContact O-CG1 3.09Å; Y74-I76 PolarHBondContact O-N 2.82Å; I76-Y79 HydrophobicContact CB-CE1 4.17Å; I76-Y79 HydrophobicContact CB-CE2 4.17Å; I76-Y79 HydrophobicContact CD1-CD1 3.95Å; I76-Y79 HydrophobicContact CD1-CE1 3.31Å; I76-Y79 HydrophobicContact CG1-CE1 4.33Å; I76-Y79 HydrophobicContact CG2-CD1 3.89Å; I76-Y79 HydrophobicContact CG2-CD2 3.83Å; I76-Y79 HydrophobicContact CG2-CE1 3.94Å; I76-Y79 HydrophobicContact CG2-CE2 3.86Å; I76-Y79 HydrophobicContact CG2-CG 3.81Å; I76-V111 HydrophobicContact CD1-CB 3.84Å; I76-V111 HydrophobicContact CD1-CG2 3.9Å; I76-T115 WeakPolarHBondContact O-CB 3.4Å; I76-S116 WeakPolarHBondContact O-CB 3.4Å; I76-S116 PolarHBondContact O-N 2.86Å; I76-H119 PolarHBondContact O-CD2 2.95Å | ||
| 77 | S | 98.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 27 Ų | 27 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -103.7 | -21.8 | 177.4 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | C66 H119 P120 | C66-S77 PolarHBondContact O-N 2.83Å; C66-S77 PolarHBondContact O-OG 2.83Å; S77-H119 VanDerWaalsContact C-CD2 3.42Å; S77-H119 PolarHBondContact O-CD2 3.04Å; S77-P120 WeakPolarHBondContact O-CD 3.45Å |
| 78 | D | 98.7 | Very high | 98.1 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 114.9 | 166.1 | 171.1 | 24 | 0 | 0 | 0 | 110.8 | C66 R80 S81 | C66-D78 HydrophobicContact CB-CB 3.86Å; C66-D78 PolarHBondContact O-N 3.19Å; D78-R80 VanDerWaalsContact C-N 3.29Å; D78-R80 PolarHBondContact O-N 2.92Å; D78-R80 PolarHBondContact OD1-N 3.16Å; D78-S81 WeakPolarHBondContact OD2-CB 3.47Å; D78-S81 PolarHBondContact OD2-OG 2.82Å |
| 79 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -13.5 | 179.9 | -80.8 | -82.9 | 0 | 0 | 0 | 115.3 | I76 M110 V111 H114 T115 H119 M196 I199 W203 | I76-Y79 HydrophobicContact CB-CE1 4.17Å; I76-Y79 HydrophobicContact CB-CE2 4.17Å; I76-Y79 HydrophobicContact CD1-CD1 3.95Å; I76-Y79 HydrophobicContact CD1-CE1 3.31Å; I76-Y79 HydrophobicContact CG1-CE1 4.33Å; I76-Y79 HydrophobicContact CG2-CD1 3.89Å; I76-Y79 HydrophobicContact CG2-CD2 3.83Å; I76-Y79 HydrophobicContact CG2-CE1 3.94Å; I76-Y79 HydrophobicContact CG2-CE2 3.86Å; I76-Y79 HydrophobicContact CG2-CG 3.81Å; Y79-M110 HydrophobicContact CD1-SD 3.84Å; Y79-M110 HydrophobicContact CE1-SD 3.83Å; Y79-V111 PolarHBondContact OH-O 2.9Å; Y79-H114 PolarHBondContact OH-O 3.16Å; Y79-T115 HydrophobicContact CE2-CG2 3.82Å; Y79-H119 AromaticContact CD2-NE2 3.86Å; Y79-M196 HydrophobicContact CE1-CE 4.39Å; Y79-M196 HydrophobicContact CE2-CE 4.46Å; Y79-I199 HydrophobicContact CD1-CD1 4.23Å; Y79-I199 HydrophobicContact CD1-CG2 3.83Å; Y79-I199 HydrophobicContact CD2-CD1 3.71Å; Y79-I199 HydrophobicContact CG-CD1 3.55Å; Y79-I199 HydrophobicContact CG-CG1 4.21Å; Y79-I199 HydrophobicContact CG-CG2 4.01Å; Y79-W203 VanDerWaalsContact O-CE2 3.23Å; Y79-W203 WeakPolarHBondContact O-CZ2 3.28Å; Y79-W203 PolarHBondContact O-NE1 3.41Å |
| 80 | R | 98.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 33.1 Ų | 33.1 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 1.4 | -171.5 | -64.9 | 178.7 | 177.6 | 86.1 | -7.3 | 113.2 | D78 N89 E195 H202 | D78-R80 VanDerWaalsContact C-N 3.29Å; D78-R80 PolarHBondContact O-N 2.92Å; D78-R80 PolarHBondContact OD1-N 3.16Å; R80-N89 PolarHBondContact O-ND2 3Å; R80-E195 IonicContact CZ-OE2 3.9Å; R80-E195 IonicContact NH2-OE2 3.78Å; R80-E195 PolarHBondContact NH2-OE2 2.83Å; R80-H202 PolarHBondContact O-NE2 3.38Å |
| 81 | S | 98.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.6 | -178.4 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | Y65 C66 D78 N89 | Y65-S81 CarbonylContact C-O 3.56Å; Y65-S81 WeakPolarHBondContact CA-O 3.46Å; C66-S81 PolarHBondContact N-O 3.19Å; D78-S81 WeakPolarHBondContact OD2-CB 3.47Å; D78-S81 PolarHBondContact OD2-OG 2.82Å; S81-N89 WeakPolarHBondContact CA-OD1 3.28Å |
| 82 | V | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 136.5 | 163.7 | 172.3 | 0 | 0 | 0 | 0 | 108.9 | L41 V64 F86 N89 L92 W203 | L41-V82 HydrophobicContact CD1-CG1 3.71Å; L41-V82 HydrophobicContact CD1-CG2 4.2Å; V64-V82 HydrophobicContact CG2-CG2 4.42Å; V64-V82 CarbonylContact O-C 3.56Å; V64-V82 WeakPolarHBondContact O-CA 3.16Å; V82-F86 HydrophobicContact CG1-CB 4.11Å; V82-N89 WeakPolarHBondContact CG2-OD1 3.15Å; V82-N89 PolarHBondContact N-OD1 3.08Å; V82-L92 HydrophobicContact CG2-CB 3.99Å; V82-L92 HydrophobicContact CG2-CD2 4.02Å; V82-W203 HydrophobicContact CG2-CH2 4.1Å; V82-W203 HydrophobicContact CG2-CZ3 4.45Å |
| 83 | D | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | trans | -64.1 | 135 | 175.2 | -162.8 | -77.6 | 0 | 0 | 0 | 110.7 | V64 C66 S67 M69 L85 F86 G87 | V64-D83 PolarHBondContact O-N 3.24Å; C66-D83 WeakPolarHBondContact CA-OD2 3.37Å; S67-D83 PolarHBondContact N-OD2 3.15Å; M69-D83 HydrophobicContact CE-CB 3.75Å; M69-D83 VanDerWaalsContact CE-OD2 3.29Å; M69-D83 WeakPolarHBondContact CE-OD2 3.46Å; D83-L85 PolarHBondContact O-N 2.91Å; D83-L85 WeakPolarHBondContact OD1-CB 3.46Å; D83-L85 PolarHBondContact OD1-N 3.47Å; D83-F86 HydrophobicContact CB-CD2 3.81Å; D83-F86 HydrophobicContact CB-CE2 4.3Å; D83-F86 PolarHBondContact O-N 3.16Å; D83-G87 PolarHBondContact O-N 2.96Å | ||
| 84 | P | 98.4 | Very high | 98.6 | Very high | 110 Ų | 110 | 38.7 Ų | 38.7 | 71% | 0.714 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.9 | 176.5 | -28 | 35.8 | 0 | 0 | 0 | 114.7 | F86 | P84-F86 PolarHBondContact O-N 3Š|
| 85 | L | 98 | Very high | 98.6 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -30.5 | 172.8 | -175.1 | 63.7 | 0 | 0 | 0 | 113 | I38 M69 D83 | I38-L85 HydrophobicContact CB-CD1 4.11Å; I38-L85 HydrophobicContact CD1-CD1 3.74Å; I38-L85 HydrophobicContact CD1-CD2 4.1Å; I38-L85 HydrophobicContact CD1-CG 4.42Å; I38-L85 HydrophobicContact CG1-CD1 4.49Å; I38-L85 HydrophobicContact CG2-CD1 4.11Å; I38-L85 HydrophobicContact CG2-CD2 4Å; I38-L85 HydrophobicContact CG2-CG 3.96Å; M69-L85 HydrophobicContact CE-CD2 4.31Å; M69-L85 HydrophobicContact CG-CD2 4.42Å; M69-L85 HydrophobicContact SD-CD2 4.42Å; D83-L85 PolarHBondContact O-N 2.91Å; D83-L85 WeakPolarHBondContact OD1-CB 3.46Å; D83-L85 PolarHBondContact OD1-N 3.47Å |
| 86 | F | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -16.1 | -177.2 | -57.3 | -59.5 | 0 | 0 | 0 | 113.9 | P27 R28 I38 G39 L41 V64 M69 V82 D83 P84 | P27-F86 HydrophobicContact CB-CD1 4.16Å; P27-F86 HydrophobicContact CB-CE1 4.03Å; R28-F86 HydrophobicContact CG-CE1 3.65Å; R28-F86 HydrophobicContact CG-CZ 3.78Å; I38-F86 HydrophobicContact CG2-CE1 4.32Å; G39-F86 VanDerWaalsContact O-CD1 3.26Å; G39-F86 WeakPolarHBondContact O-CD1 3.29Å; L41-F86 WeakPolarHBondContact CB-O 3.4Å; L41-F86 HydrophobicContact CG-CB 4.34Å; L41-F86 WeakPolarHBondContact CG-O 3.42Å; L41-F86 PolarHBondContact N-O 3.3Å; V64-F86 HydrophobicContact CB-CB 4.22Å; V64-F86 HydrophobicContact CB-CD2 3.72Å; V64-F86 HydrophobicContact CB-CE2 4.33Å; V64-F86 HydrophobicContact CB-CG 4.09Å; V64-F86 HydrophobicContact CG1-CB 4.29Å; V64-F86 HydrophobicContact CG1-CD1 4.46Å; V64-F86 HydrophobicContact CG1-CD2 3.97Å; V64-F86 HydrophobicContact CG1-CE2 4.4Å; V64-F86 HydrophobicContact CG1-CG 4Å; M69-F86 HydrophobicContact CE-CD2 4.41Å; M69-F86 HydrophobicContact CE-CE2 3.61Å; M69-F86 HydrophobicContact CE-CZ 4.27Å; M69-F86 HydrophobicContact SD-CE2 4.41Å; V82-F86 HydrophobicContact CG1-CB 4.11Å; D83-F86 HydrophobicContact CB-CD2 3.81Å; D83-F86 HydrophobicContact CB-CE2 4.3Å; D83-F86 PolarHBondContact O-N 3.16Å; P84-F86 PolarHBondContact O-N 3Å |
| 87 | G | 98.4 | Very high | 98.7 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | trans | 134.7 | -142.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D83 D91 | D83-G87 PolarHBondContact O-N 2.96Å; G87-D91 WeakPolarHBondContact CA-OD2 3.06Å | ||
| 88 | T | 98.6 | Very high | 98.7 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 36% | 0.362 | 23% | 0.229 | S | C | . | . | trans | -127.2 | 174.6 | 175.5 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | E90 D91 L92 | T88-E90 VanDerWaalsContact CB-OE2 3.3Å; T88-E90 WeakPolarHBondContact CB-OE2 3.5Å; T88-E90 PolarHBondContact O-N 2.95Å; T88-E90 WeakPolarHBondContact OG1-CB 3.48Å; T88-E90 PolarHBondContact OG1-N 2.94Å; T88-E90 VanDerWaalsContact OG1-N 3.14Å; T88-E90 PolarHBondContact OG1-OE2 3.04Å; T88-D91 PolarHBondContact N-OD2 3.46Å; T88-D91 PolarHBondContact O-N 3.4Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-N 2.91Å; T88-L92 PolarHBondContact O-N 3.13Å; T88-L92 VanDerWaalsContact O-N 3.09Å | ||
| 89 | N | 98.7 | Very high | 98.7 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -33.3 | 171.1 | -75.4 | 5 | 0 | 0 | 0 | 111.7 | R80 S81 V82 L92 K93 | R80-N89 PolarHBondContact O-ND2 3Å; S81-N89 WeakPolarHBondContact CA-OD1 3.28Å; V82-N89 WeakPolarHBondContact CG2-OD1 3.15Å; V82-N89 PolarHBondContact N-OD1 3.08Å; N89-L92 PolarHBondContact O-N 3.04Å; N89-K93 WeakPolarHBondContact O-CB 3.4Å; N89-K93 PolarHBondContact O-N 2.81Å |
| 90 | E | 98.7 | Very high | 98.6 | Very high | 134 Ų | 134 | 44.1 Ų | 44.1 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.8 | -39.5 | 174.7 | -63.2 | 69.7 | -152 | 0 | 0 | 112 | T88 L92 K93 L94 | T88-E90 VanDerWaalsContact CB-OE2 3.3Å; T88-E90 WeakPolarHBondContact CB-OE2 3.5Å; T88-E90 PolarHBondContact O-N 2.95Å; T88-E90 WeakPolarHBondContact OG1-CB 3.48Å; T88-E90 PolarHBondContact OG1-N 2.94Å; T88-E90 VanDerWaalsContact OG1-N 3.14Å; T88-E90 PolarHBondContact OG1-OE2 3.04Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-K93 PolarHBondContact O-N 3.27Å; E90-L94 WeakPolarHBondContact O-CB 3.18Å; E90-L94 PolarHBondContact O-N 3.04Å |
| 91 | D | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.9 | -74 | -49.1 | 0 | 0 | 0 | 111.5 | L41 N42 R45 G87 T88 L94 L95 | L41-D91 HydrophobicContact CB-CB 4.44Å; L41-D91 HydrophobicContact CD1-CB 4.28Å; N42-D91 PolarHBondContact ND2-OD1 3.38Å; N42-D91 PolarHBondContact OD1-OD1 3.14Å; R45-D91 IonicContact NH1-OD1 3.19Å; G87-D91 WeakPolarHBondContact CA-OD2 3.06Å; T88-D91 PolarHBondContact N-OD2 3.46Å; T88-D91 PolarHBondContact O-N 3.4Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-N 2.91Å; D91-L94 PolarHBondContact O-N 3.16Å; D91-L95 PolarHBondContact O-N 3.02Å |
| 92 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.9 | -173.6 | 67.2 | 0 | 0 | 0 | 111.3 | L41 I61 V82 T88 N89 E90 L94 L95 I96 L106 M108 W203 L206 | L41-L92 HydrophobicContact CD1-CB 3.76Å; L41-L92 HydrophobicContact CD1-CD1 4.08Å; L41-L92 HydrophobicContact CD2-CD1 3.76Å; I61-L92 HydrophobicContact CD1-CD1 4.03Å; V82-L92 HydrophobicContact CG2-CB 3.99Å; V82-L92 HydrophobicContact CG2-CD2 4.02Å; T88-L92 PolarHBondContact O-N 3.13Å; T88-L92 VanDerWaalsContact O-N 3.09Å; N89-L92 PolarHBondContact O-N 3.04Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.02Å; L92-L95 HydrophobicContact CD1-CD2 4.41Å; L92-L95 WeakPolarHBondContact O-CB 3.33Å; L92-L95 PolarHBondContact O-N 3.35Å; L92-I96 HydrophobicContact CG-CD1 4.1Å; L92-I96 WeakPolarHBondContact O-CG1 3.24Å; L92-I96 PolarHBondContact O-N 3.27Å; L92-L106 HydrophobicContact CD1-CD2 3.82Å; L92-M108 HydrophobicContact CD2-CE 4.03Å; L92-M108 HydrophobicContact CD2-SD 4.05Å; L92-W203 HydrophobicContact CD2-CE3 3.81Å; L92-W203 HydrophobicContact CD2-CH2 4.27Å; L92-W203 HydrophobicContact CD2-CZ3 3.42Å; L92-W203 VanDerWaalsContact CD2-CZ3 3.42Å; L92-L206 HydrophobicContact CD2-CD2 4.14Å |
| 93 | K | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.1 | -167.6 | -164.7 | -179.7 | -45.1 | 0 | 111 | N89 E90 L95 I96 D97 L206 | N89-K93 WeakPolarHBondContact O-CB 3.4Å; N89-K93 PolarHBondContact O-N 2.81Å; E90-K93 PolarHBondContact O-N 3.27Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 3.43Å; K93-I96 PolarHBondContact O-N 3.49Å; K93-D97 IonicContact NZ-OD1 3.93Å; K93-D97 PolarHBondContact NZ-OD1 2.95Å; K93-D97 IonicContact NZ-OD2 2.94Å; K93-D97 PolarHBondContact NZ-OD2 3.47Å; K93-D97 VanDerWaalsContact O-CG 3.29Å; K93-D97 PolarHBondContact O-N 2.81Å; K93-L206 HydrophobicContact CB-CD1 3.98Å; K93-L206 HydrophobicContact CB-CG 4.2Å; K93-L206 HydrophobicContact CD-CD1 4.25Å; K93-L206 HydrophobicContact CG-CD1 3.98Å; K93-L206 HydrophobicContact CG-CG 4.3Å |
| 94 | L | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.4 | -179.4 | 54.6 | 0 | 0 | 0 | 111.4 | R45 E90 D91 L92 D97 E98 | R45-L94 VanDerWaalsContact NH1-CD2 3.31Å; E90-L94 WeakPolarHBondContact O-CB 3.18Å; E90-L94 PolarHBondContact O-N 3.04Å; D91-L94 PolarHBondContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.02Å; L94-D97 PolarHBondContact O-N 3.13Å; L94-E98 HydrophobicContact CD1-CG 4.3Å; L94-E98 VanDerWaalsContact O-CB 3.32Å; L94-E98 WeakPolarHBondContact O-CB 3.49Å; L94-E98 WeakPolarHBondContact O-CG 3.48Å; L94-E98 PolarHBondContact O-N 3.26Å |
| 95 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | 171.8 | 172.8 | 61.8 | 0 | 0 | 0 | 111.5 | L41 I44 R45 L48 D91 L92 K93 E98 M99 | L41-L95 HydrophobicContact CD2-CD2 4.11Å; I44-L95 HydrophobicContact CB-CD2 4.26Å; I44-L95 HydrophobicContact CG2-CD1 4.08Å; I44-L95 HydrophobicContact CG2-CD2 4.05Å; R45-L95 HydrophobicContact CB-CD1 3.98Å; R45-L95 HydrophobicContact CG-CD1 4.39Å; L48-L95 HydrophobicContact CD1-CD1 4.24Å; L48-L95 HydrophobicContact CD2-CD1 4.08Å; L48-L95 HydrophobicContact CG-CD1 4.38Å; D91-L95 PolarHBondContact O-N 3.02Å; L92-L95 HydrophobicContact CD1-CD2 4.41Å; L92-L95 WeakPolarHBondContact O-CB 3.33Å; L92-L95 PolarHBondContact O-N 3.35Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 3.43Å; L95-E98 PolarHBondContact O-N 3.04Å; L95-M99 HydrophobicContact CD1-CG 4.04Å; L95-M99 HydrophobicContact CD1-SD 3.81Å; L95-M99 HydrophobicContact CG-CG 4.5Å; L95-M99 HydrophobicContact CG-SD 3.87Å; L95-M99 WeakPolarHBondContact O-CB 3.21Å; L95-M99 VanDerWaalsContact O-CG 3.22Å; L95-M99 WeakPolarHBondContact O-CG 3.43Å; L95-M99 PolarHBondContact O-N 2.91Å |
| 96 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | 178.4 | -68.4 | 164.7 | 0 | 0 | 0 | 111 | L92 K93 E98 M99 H100 L106 V208 | L92-I96 HydrophobicContact CG-CD1 4.1Å; L92-I96 WeakPolarHBondContact O-CG1 3.24Å; L92-I96 PolarHBondContact O-N 3.27Å; K93-I96 PolarHBondContact O-N 3.49Å; I96-E98 VanDerWaalsContact C-N 3.27Å; I96-E98 PolarHBondContact O-N 3.07Å; I96-M99 WeakPolarHBondContact O-CB 3.24Å; I96-M99 PolarHBondContact O-N 3.3Å; I96-M99 VanDerWaalsContact O-N 3.15Å; I96-H100 VanDerWaalsContact CG2-CE1 3.41Å; I96-H100 WeakPolarHBondContact CG2-CE1 3.31Å; I96-H100 WeakPolarHBondContact O-CB 3.49Å; I96-H100 PolarHBondContact O-N 3.06Å; I96-L106 HydrophobicContact CD1-CD2 4.02Å; I96-L106 HydrophobicContact CG1-CB 4.32Å; I96-L106 HydrophobicContact CG1-CD2 3.51Å; I96-V208 HydrophobicContact CD1-CG2 3.85Å |
| 97 | D | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -42.5 | -179.3 | -69.8 | -17.3 | 0 | 0 | 0 | 110.9 | K93 L94 H100 A101 | K93-D97 IonicContact NZ-OD1 3.93Å; K93-D97 PolarHBondContact NZ-OD1 2.95Å; K93-D97 IonicContact NZ-OD2 2.94Å; K93-D97 PolarHBondContact NZ-OD2 3.47Å; K93-D97 VanDerWaalsContact O-CG 3.29Å; K93-D97 PolarHBondContact O-N 2.81Å; L94-D97 PolarHBondContact O-N 3.13Å; D97-H100 PolarHBondContact O-N 3.45Å; D97-A101 WeakPolarHBondContact O-CB 3.39Å; D97-A101 PolarHBondContact O-N 2.91Å |
| 98 | E | 98.8 | Very high | 98.6 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 177 | -85 | -151.6 | -138.2 | 0 | 0 | 113.5 | R45 L48 L94 L95 I96 R102 | R45-E98 WeakPolarHBondContact CD-OE1 3.22Å; R45-E98 IonicContact NE-OE1 3.89Å; L48-E98 HydrophobicContact CD1-CB 3.76Å; L94-E98 HydrophobicContact CD1-CG 4.3Å; L94-E98 VanDerWaalsContact O-CB 3.32Å; L94-E98 WeakPolarHBondContact O-CB 3.49Å; L94-E98 WeakPolarHBondContact O-CG 3.48Å; L94-E98 PolarHBondContact O-N 3.26Å; L95-E98 PolarHBondContact O-N 3.04Å; I96-E98 VanDerWaalsContact C-N 3.27Å; I96-E98 PolarHBondContact O-N 3.07Å; E98-R102 VanDerWaalsContact CB-NH1 3.28Å; E98-R102 WeakPolarHBondContact O-CG 3.31Å; E98-R102 PolarHBondContact O-N 3.42Å; E98-R102 PolarHBondContact O-NH1 3.5Å; E98-R102 IonicContact OE2-CZ 3.57Å; E98-R102 IonicContact OE2-NH1 2.65Å; E98-R102 PolarHBondContact OE2-NH1 3Å; E98-R102 IonicContact OE2-NH2 3.35Å; E98-R102 PolarHBondContact OE2-NH2 3.5Å |
| 99 | M | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 172.7 | -77.4 | 177.5 | 68 | 0 | 0 | 110.7 | L48 L59 L95 I96 A101 R102 G103 M104 F105 L106 | L48-M99 HydrophobicContact CD1-CG 4.19Å; L48-M99 HydrophobicContact CD2-CG 3.56Å; L48-M99 HydrophobicContact CD2-SD 4.33Å; L59-M99 HydrophobicContact CB-CE 3.88Å; L59-M99 HydrophobicContact CD1-CE 3.63Å; L59-M99 HydrophobicContact CD1-SD 3.94Å; L59-M99 HydrophobicContact CG-CE 3.64Å; L95-M99 HydrophobicContact CD1-CG 4.04Å; L95-M99 HydrophobicContact CD1-SD 3.81Å; L95-M99 HydrophobicContact CG-CG 4.5Å; L95-M99 HydrophobicContact CG-SD 3.87Å; L95-M99 WeakPolarHBondContact O-CB 3.21Å; L95-M99 VanDerWaalsContact O-CG 3.22Å; L95-M99 WeakPolarHBondContact O-CG 3.43Å; L95-M99 PolarHBondContact O-N 2.91Å; I96-M99 WeakPolarHBondContact O-CB 3.24Å; I96-M99 PolarHBondContact O-N 3.3Å; I96-M99 VanDerWaalsContact O-N 3.15Å; M99-A101 VanDerWaalsContact C-N 3.34Å; M99-A101 PolarHBondContact O-N 2.67Å; M99-R102 CarbonylContact O-C 3.56Å; M99-R102 WeakPolarHBondContact O-CA 3.41Å; M99-R102 PolarHBondContact O-N 3.41Å; M99-G103 PolarHBondContact O-N 3.03Å; M99-M104 HydrophobicContact CB-CB 3.9Å; M99-M104 HydrophobicContact CE-CB 4.13Å; M99-M104 HydrophobicContact CG-CB 4.33Å; M99-M104 WeakPolarHBondContact O-CA 3.44Å; M99-M104 WeakPolarHBondContact O-CB 3.2Å; M99-M104 PolarHBondContact O-N 2.99Å; M99-F105 WeakPolarHBondContact CE-O 3.29Å; M99-L106 HydrophobicContact CE-CB 3.89Å; M99-L106 HydrophobicContact CE-CD1 4.14Å; M99-L106 HydrophobicContact SD-CB 4.1Å; M99-L106 HydrophobicContact SD-CD1 4.08Å |
| 100 | H | 98.3 | Very high | 98.5 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 178.4 | -71.6 | -177.7 | 0 | 0 | 0 | 112.1 | I96 D97 R102 G103 M104 G207 D209 | I96-H100 VanDerWaalsContact CG2-CE1 3.41Å; I96-H100 WeakPolarHBondContact CG2-CE1 3.31Å; I96-H100 WeakPolarHBondContact O-CB 3.49Å; I96-H100 PolarHBondContact O-N 3.06Å; D97-H100 PolarHBondContact O-N 3.45Å; H100-R102 PolarHBondContact O-N 3.06Å; H100-R102 VanDerWaalsContact O-N 3.15Å; H100-G103 PolarHBondContact O-N 3.27Å; H100-M104 PolarHBondContact CD2-O 3.01Å; H100-G207 PolarHBondContact CE1-O 3.29Å; H100-G207 PolarHBondContact NE2-O 2.88Å; H100-D209 IonicContact CD2-OD2 3.61Å; H100-D209 IonicContact CE1-OD1 2.71Å; H100-D209 IonicContact CE1-OD2 3.55Å; H100-D209 IonicContact NE2-OD1 2.91Å; H100-D209 PolarHBondContact NE2-OD1 3.27Å; H100-D209 IonicContact NE2-OD2 3.36Å; H100-D209 PolarHBondContact NE2-OD2 3.03Å |
| 101 | A | 98.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 30.3 Ų | 30.3 | 74% | 0.736 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -59.4 | -24.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D97 M99 | D97-A101 WeakPolarHBondContact O-CB 3.39Å; D97-A101 PolarHBondContact O-N 2.91Å; M99-A101 VanDerWaalsContact C-N 3.34Å; M99-A101 PolarHBondContact O-N 2.67Å |
| 102 | R | 97.9 | Very high | 98.5 | Very high | 90 Ų | 90 | 28.8 Ų | 28.8 | 34% | 0.34 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 4.6 | 176.6 | -64 | 169.9 | 176.7 | 87.7 | -13.2 | 113.1 | E52 E98 M99 H100 M104 | E52-R102 WeakPolarHBondContact OE1-CD 3.36Å; E52-R102 WeakPolarHBondContact OE1-CG 3.29Å; E52-R102 IonicContact OE1-NE 3.86Å; E52-R102 IonicContact OE2-NE 3.72Å; E98-R102 VanDerWaalsContact CB-NH1 3.28Å; E98-R102 WeakPolarHBondContact O-CG 3.31Å; E98-R102 PolarHBondContact O-N 3.42Å; E98-R102 PolarHBondContact O-NH1 3.5Å; E98-R102 IonicContact OE2-CZ 3.57Å; E98-R102 IonicContact OE2-NH1 2.65Å; E98-R102 PolarHBondContact OE2-NH1 3Å; E98-R102 IonicContact OE2-NH2 3.35Å; E98-R102 PolarHBondContact OE2-NH2 3.5Å; M99-R102 CarbonylContact O-C 3.56Å; M99-R102 WeakPolarHBondContact O-CA 3.41Å; M99-R102 PolarHBondContact O-N 3.41Å; H100-R102 PolarHBondContact O-N 3.06Å; H100-R102 VanDerWaalsContact O-N 3.15Å; R102-M104 VanDerWaalsContact C-N 3.3Å; R102-M104 HydrophobicContact CB-CE 4.47Å; R102-M104 HydrophobicContact CB-CG 4.12Å; R102-M104 HydrophobicContact CB-SD 4.48Å |
| 103 | G | 96.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 33% | 0.33 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 31.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M99 H100 F105 | M99-G103 PolarHBondContact O-N 3.03Å; H100-G103 PolarHBondContact O-N 3.27Å; G103-F105 WeakPolarHBondContact O-CE2 3.27Å |
| 104 | M | 98.2 | Very high | 98.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | trans | -102.3 | 165.3 | 173.7 | -55.3 | -175 | 172.2 | 0 | 0 | 111.5 | L48 F51 E52 K57 M99 H100 R102 | L48-M104 HydrophobicContact CD2-SD 4.18Å; F51-M104 HydrophobicContact CB-CE 3.86Å; F51-M104 HydrophobicContact CB-SD 4.37Å; E52-M104 HydrophobicContact CB-CE 4.2Å; E52-M104 HydrophobicContact CG-CE 3.29Å; K57-M104 CarbonylContact O-C 3.58Å; K57-M104 WeakPolarHBondContact O-CA 3.49Å; K57-M104 WeakPolarHBondContact O-CB 3.38Å; M99-M104 HydrophobicContact CB-CB 3.9Å; M99-M104 HydrophobicContact CE-CB 4.13Å; M99-M104 HydrophobicContact CG-CB 4.33Å; M99-M104 WeakPolarHBondContact O-CA 3.44Å; M99-M104 WeakPolarHBondContact O-CB 3.2Å; M99-M104 PolarHBondContact O-N 2.99Å; H100-M104 PolarHBondContact CD2-O 3.01Å; R102-M104 VanDerWaalsContact C-N 3.3Å; R102-M104 HydrophobicContact CB-CE 4.47Å; R102-M104 HydrophobicContact CB-CG 4.12Å; R102-M104 HydrophobicContact CB-SD 4.48Å | ||
| 105 | F | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 21.4 Ų | 21.4 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.1 | -173.6 | -55 | -84.3 | 0 | 0 | 0 | 110.9 | W16 K57 A58 L59 M99 G103 D209 | W16-F105 HydrophobicContact CB-CD1 4.44Å; W16-F105 HydrophobicContact CB-CD2 3.85Å; W16-F105 HydrophobicContact CB-CE1 4.01Å; W16-F105 HydrophobicContact CB-CE2 3.38Å; W16-F105 HydrophobicContact CB-CG 4.37Å; W16-F105 HydrophobicContact CB-CZ 3.46Å; W16-F105 VanDerWaalsContact CB-CZ 3.46Å; W16-F105 AromaticContact CD1-CD1 3.71Å; W16-F105 AromaticContact CD1-CE1 3.6Å; W16-F105 AromaticContact CD1-CZ 3.99Å; W16-F105 HydrophobicContact CD2-CB 4.07Å; W16-F105 AromaticContact CD2-CD1 3.97Å; W16-F105 HydrophobicContact CD2-CD1 3.97Å; W16-F105 AromaticContact CD2-CD2 3.78Å; W16-F105 HydrophobicContact CD2-CD2 3.78Å; W16-F105 HydrophobicContact CD2-CE1 4.4Å; W16-F105 HydrophobicContact CD2-CE2 4.25Å; W16-F105 AromaticContact CD2-CG 3.64Å; W16-F105 HydrophobicContact CD2-CG 3.64Å; W16-F105 AromaticContact CE2-CD1 3.99Å; W16-F105 AromaticContact CE2-CG 3.93Å; W16-F105 HydrophobicContact CE3-CB 4.1Å; W16-F105 AromaticContact CE3-CD2 3.89Å; W16-F105 HydrophobicContact CE3-CD2 3.89Å; W16-F105 AromaticContact CE3-CG 3.98Å; W16-F105 HydrophobicContact CE3-CG 3.98Å; W16-F105 AromaticContact CG-CD1 3.8Å; W16-F105 HydrophobicContact CG-CD1 3.8Å; W16-F105 AromaticContact CG-CD2 3.78Å; W16-F105 HydrophobicContact CG-CD2 3.78Å; W16-F105 AromaticContact CG-CE1 3.74Å; W16-F105 HydrophobicContact CG-CE1 3.74Å; W16-F105 AromaticContact CG-CE2 3.75Å; W16-F105 HydrophobicContact CG-CE2 3.75Å; W16-F105 AromaticContact CG-CG 3.82Å; W16-F105 HydrophobicContact CG-CG 3.82Å; W16-F105 AromaticContact CG-CZ 3.72Å; W16-F105 HydrophobicContact CG-CZ 3.72Å; W16-F105 HydrophobicContact CH2-CB 4.24Å; W16-F105 HydrophobicContact CZ2-CB 4.13Å; W16-F105 HydrophobicContact CZ2-CG 4.47Å; W16-F105 HydrophobicContact CZ3-CB 4.23Å; W16-F105 AromaticContact NE1-CD1 3.81Å; K57-F105 WeakPolarHBondContact O-CD2 3.33Å; K57-F105 PolarHBondContact O-N 3.01Å; A58-F105 WeakPolarHBondContact CA-O 3.41Å; A58-F105 HydrophobicContact CB-CB 4.42Å; L59-F105 PolarHBondContact N-O 3.48Å; M99-F105 WeakPolarHBondContact CE-O 3.29Å; G103-F105 WeakPolarHBondContact O-CE2 3.27Å; F105-D209 VanDerWaalsContact CA-OD2 3.23Å; F105-D209 WeakPolarHBondContact CA-OD2 3.17Å; F105-D209 HydrophobicContact CB-CB 3.94Å; F105-D209 HydrophobicContact CD1-CB 4.19Å |
| 106 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.7 | 178.3 | -173.6 | 67.3 | 0 | 0 | 0 | 111.3 | L59 I61 L92 I96 M99 D209 | L59-L106 HydrophobicContact CB-CD1 4.22Å; I61-L106 HydrophobicContact CD1-CD1 4.13Å; I61-L106 HydrophobicContact CD1-CD2 4.26Å; I61-L106 HydrophobicContact CG1-CD1 4.11Å; I61-L106 HydrophobicContact CG2-CD1 3.91Å; L92-L106 HydrophobicContact CD1-CD2 3.82Å; I96-L106 HydrophobicContact CD1-CD2 4.02Å; I96-L106 HydrophobicContact CG1-CB 4.32Å; I96-L106 HydrophobicContact CG1-CD2 3.51Å; M99-L106 HydrophobicContact CE-CB 3.89Å; M99-L106 HydrophobicContact CE-CD1 4.14Å; M99-L106 HydrophobicContact SD-CB 4.1Å; M99-L106 HydrophobicContact SD-CD1 4.08Å; L106-D209 PolarHBondContact N-OD2 3.35Å; L106-D209 WeakPolarHBondContact O-CB 3.42Å; L106-D209 PolarHBondContact O-N 3.21Å |
| 107 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.6 | 171.2 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | W16 L59 W60 I61 G210 F283 M285 | W16-V107 HydrophobicContact CH2-CG2 3.74Å; W16-V107 HydrophobicContact CZ2-CG2 4.44Å; L59-V107 PolarHBondContact O-N 2.89Å; W60-V107 WeakPolarHBondContact CA-O 3.31Å; W60-V107 HydrophobicContact CB-CB 4.19Å; W60-V107 HydrophobicContact CB-CG1 4.37Å; W60-V107 HydrophobicContact CG-CG1 4.46Å; I61-V107 PolarHBondContact N-O 2.93Å; V107-G210 WeakPolarHBondContact CA-O 3.36Å; V107-F283 HydrophobicContact CG1-CD1 4.21Å; V107-F283 HydrophobicContact CG1-CE1 4.39Å; V107-F283 HydrophobicContact CG2-CD1 3.75Å; V107-F283 HydrophobicContact CG2-CE1 4.32Å; V107-M285 HydrophobicContact CG1-CE 4.42Å |
| 108 | M | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.3 | 173.9 | -69.5 | -169.7 | 79.3 | 0 | 0 | 111.3 | V64 Y65 L92 W203 V208 G210 F211 R212 | V64-M108 HydrophobicContact CG2-CE 3.99Å; Y65-M108 HydrophobicContact CD1-CE 4.3Å; Y65-M108 HydrophobicContact CE1-CE 3.42Å; Y65-M108 VanDerWaalsContact CE1-CE 3.42Å; L92-M108 HydrophobicContact CD2-CE 4.03Å; L92-M108 HydrophobicContact CD2-SD 4.05Å; M108-W203 HydrophobicContact CE-CD2 4.24Å; M108-W203 HydrophobicContact CE-CE3 4.31Å; M108-W203 HydrophobicContact SD-CB 4.23Å; M108-W203 HydrophobicContact SD-CD2 3.82Å; M108-W203 HydrophobicContact SD-CE3 3.86Å; M108-W203 HydrophobicContact SD-CG 3.99Å; M108-V208 HydrophobicContact CB-CG1 4.29Å; M108-V208 HydrophobicContact CG-CG1 3.96Å; M108-V208 HydrophobicContact CG-CG2 3.89Å; M108-V208 HydrophobicContact SD-CG1 4.47Å; M108-V208 HydrophobicContact SD-CG2 3.56Å; M108-V208 VanDerWaalsContact SD-CG2 3.56Å; M108-G210 PolarHBondContact N-O 2.94Å; M108-F211 HydrophobicContact CB-CD1 4.2Å; M108-F211 HydrophobicContact CB-CE1 4.38Å; M108-F211 CarbonylContact O-C 3.47Å; M108-F211 VanDerWaalsContact O-CA 3.26Å; M108-F211 WeakPolarHBondContact O-CA 3.49Å; M108-R212 PolarHBondContact O-N 3.27Å |
| 109 | D | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 120.4 | 169 | -154.3 | -28.8 | 0 | 0 | 0 | 110 | W60 I61 P63 Y65 Y74 R212 | W60-D109 WeakPolarHBondContact CZ2-OD2 3.29Å; W60-D109 PolarHBondContact NE1-OD2 2.75Å; I61-D109 WeakPolarHBondContact O-CB 3.11Å; I61-D109 PolarHBondContact O-N 3.01Å; P63-D109 HydrophobicContact CG-CB 4Å; Y65-D109 WeakPolarHBondContact CE2-O 3.31Å; Y65-D109 PolarHBondContact OH-O 3.29Å; Y65-D109 VanDerWaalsContact OH-O 3.1Å; Y74-D109 PolarHBondContact OH-OD2 3.43Å; D109-R212 WeakPolarHBondContact OD1-CD 3.48Å; D109-R212 IonicContact OD1-CZ 2.88Å; D109-R212 IonicContact OD1-NE 3.55Å; D109-R212 IonicContact OD1-NH1 3.99Å; D109-R212 PolarHBondContact OD1-NH1 3.18Å; D109-R212 IonicContact OD2-CZ 3.62Å; D109-R212 IonicContact OD2-NH1 3.65Å; D109-R212 PolarHBondContact OD2-NH1 2.71Å |
| 110 | M | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.6 | 180 | -174.4 | 63.7 | 64.3 | 0 | 0 | 110.2 | Y65 Y79 P112 M196 I199 F200 F211 R212 D214 | Y65-M110 WeakPolarHBondContact OH-CE 3.28Å; Y79-M110 HydrophobicContact CD1-SD 3.84Å; Y79-M110 HydrophobicContact CE1-SD 3.83Å; M110-P112 WeakPolarHBondContact O-CD 3.36Å; M110-M196 HydrophobicContact SD-SD 4.28Å; M110-I199 HydrophobicContact CE-CG2 3.7Å; M110-I199 HydrophobicContact SD-CG2 3.92Å; M110-F200 HydrophobicContact CB-CE1 3.83Å; M110-F200 HydrophobicContact CB-CZ 4.38Å; M110-F200 HydrophobicContact CE-CD1 4Å; M110-F200 HydrophobicContact CE-CE1 4.13Å; M110-F200 HydrophobicContact CG-CD1 4.24Å; M110-F200 HydrophobicContact CG-CE1 3.44Å; M110-F200 VanDerWaalsContact CG-CE1 3.44Å; M110-F200 HydrophobicContact CG-CZ 3.7Å; M110-F200 HydrophobicContact SD-CE1 4.49Å; M110-F211 HydrophobicContact CB-CD1 4.34Å; M110-F211 HydrophobicContact CE-CD1 4.17Å; M110-F211 HydrophobicContact CE-CE1 4.03Å; M110-R212 PolarHBondContact N-O 3.49Å; M110-D214 VanDerWaalsContact O-CB 3.3Å; M110-D214 WeakPolarHBondContact O-CB 3.22Å; M110-D214 PolarHBondContact O-N 2.73Å |
| 111 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -111.4 | 83.8 | -176.8 | -172.5 | 0 | 0 | 0 | 0 | 111 | P63 Y74 I76 Y79 D214 | P63-V111 HydrophobicContact CG-CG2 4.24Å; Y74-V111 HydrophobicContact CD1-CG2 3.64Å; Y74-V111 HydrophobicContact CE1-CG2 4.11Å; I76-V111 HydrophobicContact CD1-CB 3.84Å; I76-V111 HydrophobicContact CD1-CG2 3.9Å; Y79-V111 PolarHBondContact OH-O 2.9Å; V111-D214 HydrophobicContact CB-CB 4.41Å; V111-D214 HydrophobicContact CG2-CB 4.02Å | ||
| 112 | P | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -76.6 | -24.3 | -177.2 | 30 | -37.4 | 0 | 0 | 0 | 114.4 | M110 H114 L185 Y187 M196 I213 D214 V219 W267 | M110-P112 WeakPolarHBondContact O-CD 3.36Å; P112-H114 PolarHBondContact O-N 3.12Å; P112-L185 WeakPolarHBondContact O-CD1 3.42Å; P112-Y187 HydrophobicContact CB-CE2 4.46Å; P112-Y187 WeakPolarHBondContact CB-OH 3.45Å; P112-Y187 WeakPolarHBondContact O-CE2 3.45Å; P112-Y187 PolarHBondContact O-OH 2.67Å; P112-M196 HydrophobicContact CB-CE 4.42Å; P112-M196 HydrophobicContact CB-SD 4.49Å; P112-I213 HydrophobicContact CG-CG2 3.64Å; P112-D214 WeakPolarHBondContact CD-O 3.24Å; P112-V219 HydrophobicContact CB-CG1 4.33Å; P112-V219 HydrophobicContact CG-CG1 3.98Å; P112-W267 HydrophobicContact CB-CH2 3.6Å; P112-W267 HydrophobicContact CB-CZ2 4.07Å; P112-W267 HydrophobicContact CB-CZ3 4.34Å; P112-W267 HydrophobicContact CG-CH2 3.8Å; P112-W267 HydrophobicContact CG-CZ3 4.12Å | ||
| 113 | N | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -65 | -38.6 | -170 | 177.5 | 47.7 | 0 | 0 | 0 | 113.4 | D184 L185 A215 Y218 V219 K221 | N113-D184 PolarHBondContact ND2-OD1 2.96Å; N113-D184 WeakPolarHBondContact O-CA 3.35Å; N113-L185 PolarHBondContact O-N 3.27Å; N113-A215 HydrophobicContact CB-CB 4.13Å; N113-Y218 PolarHBondContact OD1-O 3.23Å; N113-V219 HydrophobicContact CB-CG1 4.2Å; N113-K221 PolarHBondContact OD1-NZ 3.17Å |
| 114 | H | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -145 | 173.1 | -172.1 | 51.4 | -93.7 | 0 | 0 | 0 | 111.4 | Y74 Y79 P112 F178 Q182 P183 | Y74-H114 PolarHBondContact O-NE2 3.22Å; Y79-H114 PolarHBondContact OH-O 3.16Å; P112-H114 PolarHBondContact O-N 3.12Å; H114-F178 AromaticContact CE1-CD2 3.38Å; H114-F178 WeakPolarHBondContact CE1-CD2 3.43Å; H114-F178 AromaticContact CE1-CE2 3.63Å; H114-F178 AromaticContact ND1-CD2 3.68Å; H114-F178 AromaticContact ND1-CE2 3.97Å; H114-Q182 HydrophobicContact CB-CB 4.31Å; H114-Q182 PolarHBondContact NE2-NE2 3.19Å; H114-P183 VanDerWaalsContact CA-O 3.27Å; H114-P183 WeakPolarHBondContact CA-O 3.42Å; H114-P183 WeakPolarHBondContact CB-O 3.4Å |
| 115 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -127.7 | -176.3 | 166.7 | 76.4 | 0 | 0 | 0 | 0 | 108.6 | I76 Y79 H119 W121 Y136 Q182 P183 L185 | I76-T115 WeakPolarHBondContact O-CB 3.4Å; Y79-T115 HydrophobicContact CE2-CG2 3.82Å; T115-H119 VanDerWaalsContact OG1-CB 3.32Å; T115-H119 WeakPolarHBondContact OG1-CB 3.43Å; T115-W121 HydrophobicContact CG2-CE3 4.27Å; T115-W121 HydrophobicContact CG2-CZ3 4.48Å; T115-Y136 HydrophobicContact CG2-CE1 4.32Å; T115-Y136 WeakPolarHBondContact CG2-OH 3.17Å; T115-Y136 WeakPolarHBondContact OG1-CE1 3.48Å; T115-Y136 PolarHBondContact OG1-OH 2.95Å; T115-Q182 VanDerWaalsContact O-CA 3.28Å; T115-Q182 WeakPolarHBondContact O-CA 3.46Å; T115-P183 PolarHBondContact N-O 3.42Å; T115-P183 VanDerWaalsContact O-CD 3.23Å; T115-P183 WeakPolarHBondContact O-CD 3.38Å; T115-L185 HydrophobicContact CG2-CD1 3.88Å; T115-L185 HydrophobicContact CG2-CD2 3.99Å; T115-L185 HydrophobicContact CG2-CG 4.01Å | ||
| 116 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -71.1 | 147.4 | 165.2 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | P68 D75 I76 K118 H119 E181 | P68-S116 WeakPolarHBondContact CG-OG 3.2Å; D75-S116 WeakPolarHBondContact O-CB 3.28Å; I76-S116 WeakPolarHBondContact O-CB 3.4Å; I76-S116 PolarHBondContact O-N 2.86Å; S116-K118 PolarHBondContact O-N 3.5Å; S116-K118 PolarHBondContact OG-N 2.85Å; S116-H119 WeakPolarHBondContact O-CB 3.13Å; S116-H119 PolarHBondContact O-N 2.83Å; S116-E181 CarbonylContact C-O 3.22Å; S116-E181 VanDerWaalsContact CA-O 3.29Å; S116-E181 WeakPolarHBondContact CA-O 3.41Å | ||
| 117 | D | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 13% | 0.128 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11.3 | 164.8 | 82 | -39.2 | 0 | 0 | 0 | 113.5 | F122 E181 P183 | D117-F122 HydrophobicContact CB-CD1 3.97Å; D117-F122 HydrophobicContact CB-CE1 3.85Å; D117-F122 WeakPolarHBondContact O-CD1 3.21Å; D117-E181 PolarHBondContact N-O 3.15Å; D117-P183 HydrophobicContact CB-CG 4.43Å |
| 118 | K | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 29.4 Ų | 29.4 | 50% | 0.5 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.1 | 170.8 | -52 | -48.5 | 178.4 | -141.8 | 0 | 113.4 | P68 S116 | P68-K118 HydrophobicContact CG-CB 3.95Å; P68-K118 HydrophobicContact CG-CG 3.82Å; S116-K118 PolarHBondContact O-N 3.5Å; S116-K118 PolarHBondContact OG-N 2.85Å |
| 119 | H | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -63.3 | 134.5 | 176.9 | -167 | -72.6 | 0 | 0 | 0 | 110 | I76 S77 Y79 T115 S116 W121 F122 L123 | I76-H119 PolarHBondContact O-CD2 2.95Å; S77-H119 VanDerWaalsContact C-CD2 3.42Å; S77-H119 PolarHBondContact O-CD2 3.04Å; Y79-H119 AromaticContact CD2-NE2 3.86Å; T115-H119 VanDerWaalsContact OG1-CB 3.32Å; T115-H119 WeakPolarHBondContact OG1-CB 3.43Å; S116-H119 WeakPolarHBondContact O-CB 3.13Å; S116-H119 PolarHBondContact O-N 2.83Å; H119-W121 AromaticContact CE1-CD1 3.73Å; H119-W121 AromaticContact CE1-CD2 3.13Å; H119-W121 AromaticContact CE1-CE2 3.5Å; H119-W121 AromaticContact CE1-CE3 3.48Å; H119-W121 VanDerWaalsContact CE1-CE3 3.48Å; H119-W121 AromaticContact CE1-CG 3.32Å; H119-W121 AromaticContact CE1-NE1 3.8Å; H119-W121 WeakPolarHBondContact ND1-CB 3.28Å; H119-W121 AromaticContact ND1-CD1 3.97Å; H119-W121 AromaticContact ND1-CD2 3.56Å; H119-W121 AromaticContact ND1-CE3 3.86Å; H119-W121 AromaticContact ND1-CG 3.34Å; H119-W121 VanDerWaalsContact ND1-CG 3.34Å; H119-W121 PolarHBondContact ND1-N 3.29Å; H119-W121 VanDerWaalsContact ND1-N 3.14Å; H119-W121 PolarHBondContact O-N 2.84Å; H119-W121 VanDerWaalsContact O-N 3.12Å; H119-F122 PolarHBondContact O-N 2.73Å; H119-L123 PolarHBondContact O-N 2.96Å |
| 120 | P | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 53% | 0.526 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -51.8 | -39.3 | -179 | -30.6 | 35.9 | 0 | 0 | 0 | 114 | S77 F122 L123 A124 | S77-P120 WeakPolarHBondContact O-CD 3.45Å; P120-F122 VanDerWaalsContact C-N 3.35Å; P120-F122 PolarHBondContact O-N 3.17Å; P120-L123 PolarHBondContact O-N 3.12Å; P120-A124 WeakPolarHBondContact O-CB 3.35Å; P120-A124 PolarHBondContact O-N 3.37Å |
| 121 | W | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -43.8 | 173.2 | -58 | -17.8 | 0 | 0 | 0 | 113.2 | T115 H119 S125 F132 F135 Y136 L185 E195 I199 | T115-W121 HydrophobicContact CG2-CE3 4.27Å; T115-W121 HydrophobicContact CG2-CZ3 4.48Å; H119-W121 AromaticContact CE1-CD1 3.73Å; H119-W121 AromaticContact CE1-CD2 3.13Å; H119-W121 AromaticContact CE1-CE2 3.5Å; H119-W121 AromaticContact CE1-CE3 3.48Å; H119-W121 VanDerWaalsContact CE1-CE3 3.48Å; H119-W121 AromaticContact CE1-CG 3.32Å; H119-W121 AromaticContact CE1-NE1 3.8Å; H119-W121 WeakPolarHBondContact ND1-CB 3.28Å; H119-W121 AromaticContact ND1-CD1 3.97Å; H119-W121 AromaticContact ND1-CD2 3.56Å; H119-W121 AromaticContact ND1-CE3 3.86Å; H119-W121 AromaticContact ND1-CG 3.34Å; H119-W121 VanDerWaalsContact ND1-CG 3.34Å; H119-W121 PolarHBondContact ND1-N 3.29Å; H119-W121 VanDerWaalsContact ND1-N 3.14Å; H119-W121 PolarHBondContact O-N 2.84Å; H119-W121 VanDerWaalsContact O-N 3.12Å; W121-S125 WeakPolarHBondContact O-CB 3.4Å; W121-S125 PolarHBondContact O-N 2.95Å; W121-F132 HydrophobicContact CB-CD1 4.4Å; W121-F132 AromaticContact CD1-CD1 3.77Å; W121-F132 AromaticContact CD1-CE1 3.45Å; W121-F132 VanDerWaalsContact CD1-CE1 3.45Å; W121-F132 HydrophobicContact CG-CD1 4.24Å; W121-F132 HydrophobicContact CG-CE1 4.31Å; W121-F132 AromaticContact NE1-CE1 3.87Å; W121-F135 HydrophobicContact CB-CD1 3.95Å; W121-F135 AromaticContact CD2-CD1 3.77Å; W121-F135 HydrophobicContact CD2-CD1 3.77Å; W121-F135 AromaticContact CD2-CE1 3.85Å; W121-F135 HydrophobicContact CD2-CE1 3.85Å; W121-F135 AromaticContact CE3-CD1 3.97Å; W121-F135 HydrophobicContact CE3-CD1 3.97Å; W121-F135 HydrophobicContact CE3-CE1 4.26Å; W121-F135 AromaticContact CG-CD1 3.8Å; W121-F135 HydrophobicContact CG-CD1 3.8Å; W121-F135 HydrophobicContact CG-CE1 4.04Å; W121-Y136 HydrophobicContact CB-CE2 3.86Å; W121-L185 HydrophobicContact CE3-CD2 4.26Å; W121-E195 HydrophobicContact CH2-CB 3.7Å; W121-E195 HydrophobicContact CH2-CG 4.46Å; W121-E195 HydrophobicContact CZ2-CB 3.76Å; W121-E195 HydrophobicContact CZ2-CG 4.05Å; W121-I199 HydrophobicContact CH2-CD1 3.68Å; W121-I199 HydrophobicContact CZ2-CD1 4.47Å |
| 122 | F | 98.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.6 | -42 | -178.7 | -178.2 | -103 | 0 | 0 | 0 | 111.2 | D117 H119 P120 A124 S125 C126 Y136 W138 Y174 P183 | D117-F122 HydrophobicContact CB-CD1 3.97Å; D117-F122 HydrophobicContact CB-CE1 3.85Å; D117-F122 WeakPolarHBondContact O-CD1 3.21Å; H119-F122 PolarHBondContact O-N 2.73Å; P120-F122 VanDerWaalsContact C-N 3.35Å; P120-F122 PolarHBondContact O-N 3.17Å; F122-A124 VanDerWaalsContact C-N 3.33Å; F122-A124 PolarHBondContact O-N 3.16Å; F122-S125 CarbonylContact O-C 3.46Å; F122-S125 WeakPolarHBondContact O-CB 3.43Å; F122-S125 PolarHBondContact O-N 3.3Å; F122-C126 WeakPolarHBondContact CE1-SG 3.35Å; F122-C126 VanDerWaalsContact CZ-SG 3.58Å; F122-C126 PolarHBondContact O-N 3.33Å; F122-C126 PolarHBondContact O-SG 3.27Å; F122-Y136 HydrophobicContact CB-CD2 4.33Å; F122-Y136 HydrophobicContact CB-CE1 4.2Å; F122-Y136 HydrophobicContact CB-CE2 3.71Å; F122-Y136 AromaticContact CD2-CD1 3.89Å; F122-Y136 HydrophobicContact CD2-CD1 3.89Å; F122-Y136 AromaticContact CD2-CD2 3.92Å; F122-Y136 HydrophobicContact CD2-CD2 3.92Å; F122-Y136 HydrophobicContact CD2-CE1 4.05Å; F122-Y136 HydrophobicContact CD2-CE2 4.13Å; F122-Y136 AromaticContact CD2-CG 3.82Å; F122-Y136 HydrophobicContact CD2-CG 3.82Å; F122-Y136 HydrophobicContact CG-CE2 4.43Å; F122-Y136 VanDerWaalsContact N-CE2 3.34Å; F122-Y136 PolarHBondContact N-OH 2.83Å; F122-W138 HydrophobicContact CD2-CZ2 4.32Å; F122-W138 AromaticContact CE2-CH2 3.9Å; F122-W138 HydrophobicContact CE2-CH2 3.9Å; F122-W138 AromaticContact CE2-CZ2 3.73Å; F122-W138 HydrophobicContact CE2-CZ2 3.73Å; F122-W138 HydrophobicContact CZ-CH2 4.03Å; F122-W138 HydrophobicContact CZ-CZ2 4.27Å; F122-Y174 HydrophobicContact CE2-CD1 4.36Å; F122-Y174 HydrophobicContact CE2-CD2 4.03Å; F122-Y174 HydrophobicContact CE2-CE2 4.38Å; F122-Y174 HydrophobicContact CE2-CG 4Å; F122-Y174 AromaticContact CZ-CD1 3.97Å; F122-Y174 HydrophobicContact CZ-CD1 3.97Å; F122-Y174 HydrophobicContact CZ-CD2 4.11Å; F122-Y174 AromaticContact CZ-CE1 3.95Å; F122-Y174 HydrophobicContact CZ-CE1 3.95Å; F122-Y174 HydrophobicContact CZ-CE2 4.07Å; F122-Y174 HydrophobicContact CZ-CG 4.04Å; F122-Y174 AromaticContact CZ-CZ 3.98Å; F122-P183 HydrophobicContact CB-CG 4.35Å; F122-P183 HydrophobicContact CD1-CG 4.37Å; F122-P183 HydrophobicContact CD2-CB 3.58Å; F122-P183 HydrophobicContact CD2-CG 3.44Å; F122-P183 VanDerWaalsContact CD2-CG 3.44Å; F122-P183 HydrophobicContact CE2-CB 3.43Å; F122-P183 VanDerWaalsContact CE2-CB 3.43Å; F122-P183 HydrophobicContact CE2-CG 3.69Å; F122-P183 HydrophobicContact CG-CB 4.42Å; F122-P183 HydrophobicContact CG-CG 3.8Å; F122-P183 HydrophobicContact CZ-CB 4.16Å; F122-P183 HydrophobicContact CZ-CG 4.22Å |
| 123 | L | 98.4 | Very high | 97.5 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.1 | -62.4 | 176.6 | 0 | 0 | 0 | 112.3 | H119 P120 Q127 | H119-L123 PolarHBondContact O-N 2.96Å; P120-L123 PolarHBondContact O-N 3.12Å; L123-Q127 PolarHBondContact O-NE2 3.45Å; L123-Q127 VanDerWaalsContact O-NE2 3.13Å |
| 124 | A | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P120 F122 Q127 R128 E129 F132 | P120-A124 WeakPolarHBondContact O-CB 3.35Å; P120-A124 PolarHBondContact O-N 3.37Å; F122-A124 VanDerWaalsContact C-N 3.33Å; F122-A124 PolarHBondContact O-N 3.16Å; A124-Q127 CarbonylContact O-C 3.59Å; A124-Q127 PolarHBondContact O-N 3.45Å; A124-Q127 VanDerWaalsContact O-N 3.12Å; A124-R128 PolarHBondContact O-N 3.24Å; A124-E129 HydrophobicContact CB-CB 4.15Å; A124-E129 HydrophobicContact CB-CG 4.23Å; A124-E129 PolarHBondContact O-N 3.33Å; A124-E129 VanDerWaalsContact O-N 3.12Å; A124-F132 HydrophobicContact CB-CB 3.73Å; A124-F132 HydrophobicContact CB-CD2 3.53Å; A124-F132 HydrophobicContact CB-CE2 4.41Å; A124-F132 HydrophobicContact CB-CG 3.88Å |
| 125 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.7 | -161.2 | 0 | 0 | 0 | 0 | 111.4 | W121 F122 Q127 R128 F132 A133 W138 R170 | W121-S125 WeakPolarHBondContact O-CB 3.4Å; W121-S125 PolarHBondContact O-N 2.95Å; F122-S125 CarbonylContact O-C 3.46Å; F122-S125 WeakPolarHBondContact O-CB 3.43Å; F122-S125 PolarHBondContact O-N 3.3Å; S125-Q127 PolarHBondContact O-N 2.92Å; S125-R128 PolarHBondContact O-N 2.93Å; S125-F132 WeakPolarHBondContact CA-O 3.31Å; S125-F132 WeakPolarHBondContact CB-O 3.21Å; S125-F132 PolarHBondContact OG-O 3.35Å; S125-A133 PolarHBondContact OG-O 3.12Å; S125-A133 VanDerWaalsContact OG-O 3.04Å; S125-W138 PolarHBondContact OG-NE1 3.22Å; S125-R170 PolarHBondContact O-NH1 3.08Å |
| 126 | C | 97.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.095 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.8 | -28.6 | 174.5 | -72.9 | 0 | 0 | 0 | 0 | 113.2 | F122 R170 | F122-C126 WeakPolarHBondContact CE1-SG 3.35Å; F122-C126 VanDerWaalsContact CZ-SG 3.58Å; F122-C126 PolarHBondContact O-N 3.33Å; F122-C126 PolarHBondContact O-SG 3.27Å; C126-R170 WeakPolarHBondContact O-CB 3.3Å |
| 127 | Q | 96.9 | Very high | 97.4 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.9 | -179.9 | -67.9 | 175.1 | 79.6 | 0 | 0 | 113.8 | L123 A124 S125 E129 | L123-Q127 PolarHBondContact O-NE2 3.45Å; L123-Q127 VanDerWaalsContact O-NE2 3.13Å; A124-Q127 CarbonylContact O-C 3.59Å; A124-Q127 PolarHBondContact O-N 3.45Å; A124-Q127 VanDerWaalsContact O-N 3.12Å; S125-Q127 PolarHBondContact O-N 2.92Å; Q127-E129 HydrophobicContact CB-CG 4.23Å; Q127-E129 PolarHBondContact O-N 2.92Å |
| 128 | R | 96.4 | Very high | 97.4 | Very high | 129 Ų | 129 | 55.6 Ų | 55.6 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 35 | -175 | -57.9 | 177.5 | 179.3 | -99 | 1.9 | 113 | A124 S125 E130 R170 Q172 | A124-R128 PolarHBondContact O-N 3.24Å; S125-R128 PolarHBondContact O-N 2.93Å; R128-E130 PolarHBondContact O-N 3.24Å; R128-R170 HydrophobicContact CG-CG 4.28Å; R128-R170 PolarHBondContact NH2-O 3.46Å; R128-Q172 VanDerWaalsContact NH2-OE1 3.07Å |
| 129 | E | 97.2 | Very high | 97.4 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | trans | -61.8 | 127.5 | 172.7 | -68 | -179.7 | -147.5 | 0 | 0 | 109.9 | A124 Q127 K131 F132 A133 | A124-E129 HydrophobicContact CB-CB 4.15Å; A124-E129 HydrophobicContact CB-CG 4.23Å; A124-E129 PolarHBondContact O-N 3.33Å; A124-E129 VanDerWaalsContact O-N 3.12Å; Q127-E129 HydrophobicContact CB-CG 4.23Å; Q127-E129 PolarHBondContact O-N 2.92Å; E129-K131 VanDerWaalsContact C-N 3.27Å; E129-K131 PolarHBondContact O-N 2.85Å; E129-F132 CarbonylContact O-C 3.53Å; E129-F132 PolarHBondContact O-N 3.49Å; E129-A133 PolarHBondContact O-N 3.47Å | ||
| 130 | E | 90.5 | Very high | 97.3 | Very high | 196 Ų | 196 | 58.1 Ų | 58.1 | 92% | 0.916 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -42.6 | -164.9 | -173.3 | 179.8 | 176.7 | 0 | 0 | 114.5 | R128 | R128-E130 PolarHBondContact O-N 3.24Š|
| 131 | K | 93.2 | Very high | 97.2 | Very high | 110 Ų | 110 | 55 Ų | 55 | 48% | 0.478 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -33.9 | 179.3 | -177.4 | 177.4 | 173.8 | -173.6 | 0 | 113.3 | E129 F135 E195 | E129-K131 VanDerWaalsContact C-N 3.27Å; E129-K131 PolarHBondContact O-N 2.85Å; K131-F135 WeakPolarHBondContact O-CD2 3.31Å; K131-F135 WeakPolarHBondContact O-CE2 3.23Å; K131-E195 IonicContact NZ-OE1 3.83Å |
| 132 | F | 97.2 | Very high | 97 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -2.8 | -168.7 | -56.2 | -69 | 0 | 0 | 0 | 113.4 | W121 A124 S125 E129 D134 F135 | W121-F132 HydrophobicContact CB-CD1 4.4Å; W121-F132 AromaticContact CD1-CD1 3.77Å; W121-F132 AromaticContact CD1-CE1 3.45Å; W121-F132 VanDerWaalsContact CD1-CE1 3.45Å; W121-F132 HydrophobicContact CG-CD1 4.24Å; W121-F132 HydrophobicContact CG-CE1 4.31Å; W121-F132 AromaticContact NE1-CE1 3.87Å; A124-F132 HydrophobicContact CB-CB 3.73Å; A124-F132 HydrophobicContact CB-CD2 3.53Å; A124-F132 HydrophobicContact CB-CE2 4.41Å; A124-F132 HydrophobicContact CB-CG 3.88Å; S125-F132 WeakPolarHBondContact CA-O 3.31Å; S125-F132 WeakPolarHBondContact CB-O 3.21Å; S125-F132 PolarHBondContact OG-O 3.35Å; E129-F132 CarbonylContact O-C 3.53Å; E129-F132 PolarHBondContact O-N 3.49Å; F132-D134 PolarHBondContact O-N 3.3Å; F132-F135 HydrophobicContact CB-CD2 4.48Å; F132-F135 AromaticContact CD1-CD1 3.97Å; F132-F135 HydrophobicContact CD1-CD1 3.97Å; F132-F135 HydrophobicContact CD1-CD2 4.19Å; F132-F135 AromaticContact CD1-CE1 3.78Å; F132-F135 HydrophobicContact CD1-CE1 3.78Å; F132-F135 HydrophobicContact CD1-CE2 4.02Å; F132-F135 HydrophobicContact CD1-CG 4.17Å; F132-F135 AromaticContact CD1-CZ 3.81Å; F132-F135 HydrophobicContact CD1-CZ 3.81Å; F132-F135 HydrophobicContact CE1-CE1 4.08Å; F132-F135 HydrophobicContact CE1-CZ 4.1Å; F132-F135 PolarHBondContact O-N 3Å; F132-F135 VanDerWaalsContact O-N 3.1Å |
| 133 | A | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -36.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S125 E129 R170 | S125-A133 PolarHBondContact OG-O 3.12Å; S125-A133 VanDerWaalsContact OG-O 3.04Å; E129-A133 PolarHBondContact O-N 3.47Å; A133-R170 PolarHBondContact O-NH1 3.45Å; A133-R170 PolarHBondContact O-NH2 3.07Å; A133-R170 VanDerWaalsContact O-NH2 3.16Å |
| 134 | D | 96.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 65.9 Ų | 65.9 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 25.8 | -177.4 | -61.6 | -29.3 | 0 | 0 | 0 | 113.2 | F132 R170 N186 N189 | F132-D134 PolarHBondContact O-N 3.3Å; D134-R170 IonicContact OD1-NH2 2.81Å; D134-N186 WeakPolarHBondContact O-CB 3.41Å; D134-N186 PolarHBondContact O-ND2 3.12Å; D134-N186 VanDerWaalsContact O-ND2 3.15Å; D134-N189 WeakPolarHBondContact O-CB 3.38Å; D134-N189 PolarHBondContact O-ND2 2.88Å; D134-N189 VanDerWaalsContact O-ND2 3.14Å |
| 135 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -71 | -21.8 | 173.7 | -92.4 | -132.5 | 0 | 0 | 0 | 112.9 | W121 K131 F132 L185 N186 D191 V192 E195 | W121-F135 HydrophobicContact CB-CD1 3.95Å; W121-F135 AromaticContact CD2-CD1 3.77Å; W121-F135 HydrophobicContact CD2-CD1 3.77Å; W121-F135 AromaticContact CD2-CE1 3.85Å; W121-F135 HydrophobicContact CD2-CE1 3.85Å; W121-F135 AromaticContact CE3-CD1 3.97Å; W121-F135 HydrophobicContact CE3-CD1 3.97Å; W121-F135 HydrophobicContact CE3-CE1 4.26Å; W121-F135 AromaticContact CG-CD1 3.8Å; W121-F135 HydrophobicContact CG-CD1 3.8Å; W121-F135 HydrophobicContact CG-CE1 4.04Å; K131-F135 WeakPolarHBondContact O-CD2 3.31Å; K131-F135 WeakPolarHBondContact O-CE2 3.23Å; F132-F135 HydrophobicContact CB-CD2 4.48Å; F132-F135 AromaticContact CD1-CD1 3.97Å; F132-F135 HydrophobicContact CD1-CD1 3.97Å; F132-F135 HydrophobicContact CD1-CD2 4.19Å; F132-F135 AromaticContact CD1-CE1 3.78Å; F132-F135 HydrophobicContact CD1-CE1 3.78Å; F132-F135 HydrophobicContact CD1-CE2 4.02Å; F132-F135 HydrophobicContact CD1-CG 4.17Å; F132-F135 AromaticContact CD1-CZ 3.81Å; F132-F135 HydrophobicContact CD1-CZ 3.81Å; F132-F135 HydrophobicContact CE1-CE1 4.08Å; F132-F135 HydrophobicContact CE1-CZ 4.1Å; F132-F135 PolarHBondContact O-N 3Å; F132-F135 VanDerWaalsContact O-N 3.1Å; F135-L185 WeakPolarHBondContact O-CA 3.37Å; F135-L185 WeakPolarHBondContact O-CD2 3.46Å; F135-N186 PolarHBondContact O-N 2.94Å; F135-D191 HydrophobicContact CE2-CB 3.71Å; F135-D191 HydrophobicContact CZ-CB 3.88Å; F135-V192 HydrophobicContact CB-CG2 4.07Å; F135-V192 HydrophobicContact CD1-CG2 3.92Å; F135-V192 HydrophobicContact CD2-CG2 4.02Å; F135-V192 HydrophobicContact CE1-CG2 4.35Å; F135-V192 HydrophobicContact CE2-CG2 4.43Å; F135-V192 HydrophobicContact CG-CG2 3.75Å; F135-E195 HydrophobicContact CE1-CG 4.26Å; F135-E195 HydrophobicContact CZ-CG 4.32Å |
| 136 | Y | 98.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -123.4 | 163.6 | 179.5 | -61.6 | -94.3 | 0 | 0 | 0 | 110.2 | T115 W121 F122 W138 P183 D184 L185 | T115-Y136 HydrophobicContact CG2-CE1 4.32Å; T115-Y136 WeakPolarHBondContact CG2-OH 3.17Å; T115-Y136 WeakPolarHBondContact OG1-CE1 3.48Å; T115-Y136 PolarHBondContact OG1-OH 2.95Å; W121-Y136 HydrophobicContact CB-CE2 3.86Å; F122-Y136 HydrophobicContact CB-CD2 4.33Å; F122-Y136 HydrophobicContact CB-CE1 4.2Å; F122-Y136 HydrophobicContact CB-CE2 3.71Å; F122-Y136 AromaticContact CD2-CD1 3.89Å; F122-Y136 HydrophobicContact CD2-CD1 3.89Å; F122-Y136 AromaticContact CD2-CD2 3.92Å; F122-Y136 HydrophobicContact CD2-CD2 3.92Å; F122-Y136 HydrophobicContact CD2-CE1 4.05Å; F122-Y136 HydrophobicContact CD2-CE2 4.13Å; F122-Y136 AromaticContact CD2-CG 3.82Å; F122-Y136 HydrophobicContact CD2-CG 3.82Å; F122-Y136 HydrophobicContact CG-CE2 4.43Å; F122-Y136 VanDerWaalsContact N-CE2 3.34Å; F122-Y136 PolarHBondContact N-OH 2.83Å; Y136-W138 VanDerWaalsContact O-CD1 3.29Å; Y136-W138 PolarHBondContact O-N 2.92Å; Y136-P183 HydrophobicContact CD1-CB 3.72Å; Y136-P183 HydrophobicContact CD1-CG 4.07Å; Y136-P183 HydrophobicContact CE1-CB 4.03Å; Y136-P183 HydrophobicContact CE1-CG 3.84Å; Y136-P183 WeakPolarHBondContact CE1-O 3.37Å; Y136-D184 WeakPolarHBondContact CA-O 3.48Å; Y136-D184 WeakPolarHBondContact CD1-O 3.19Å; Y136-L185 HydrophobicContact CD1-CD2 4.24Å; Y136-L185 HydrophobicContact CE1-CD2 3.75Å; Y136-L185 HydrophobicContact CE1-CG 4.3Å; Y136-L185 HydrophobicContact CE2-CD2 4.33Å |
| 137 | I | 98.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 82 Ų | 82 | 5% | 0.051 | 41% | 0.413 | C | S | . | . | trans | -85.8 | 105 | -178.2 | -62.7 | 172.3 | 0 | 0 | 0 | 109.2 | W164 Y174 L175 D184 N186 K221 F225 | I137-W164 HydrophobicContact CG2-CH2 4.06Å; I137-W164 HydrophobicContact CG2-CZ3 4.35Å; I137-Y174 WeakPolarHBondContact O-CA 3.46Å; I137-L175 HydrophobicContact CB-CB 4.01Å; I137-L175 HydrophobicContact CB-CD2 4.44Å; I137-L175 HydrophobicContact CD1-CD2 3.94Å; I137-L175 HydrophobicContact CG2-CB 4.02Å; I137-L175 HydrophobicContact CG2-CD2 4.29Å; I137-L175 PolarHBondContact O-N 3.05Å; I137-D184 PolarHBondContact N-O 3.31Å; I137-N186 HydrophobicContact CG1-CB 3.78Å; I137-K221 HydrophobicContact CD1-CD 3.38Å; I137-K221 HydrophobicContact CD1-CG 4.47Å; I137-F225 HydrophobicContact CG2-CE1 3.62Å; I137-F225 HydrophobicContact CG2-CZ 3.78Å | ||
| 138 | W | 98.4 | Very high | 95 | Very high | 22 Ų | 22 | 81.2 Ų | 81.2 | 8% | 0.083 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 141 | 176.5 | -63.6 | 99.1 | 0 | 0 | 0 | 111.2 | F122 S125 Y136 C167 R170 Q172 F173 Y174 | F122-W138 HydrophobicContact CD2-CZ2 4.32Å; F122-W138 AromaticContact CE2-CH2 3.9Å; F122-W138 HydrophobicContact CE2-CH2 3.9Å; F122-W138 AromaticContact CE2-CZ2 3.73Å; F122-W138 HydrophobicContact CE2-CZ2 3.73Å; F122-W138 HydrophobicContact CZ-CH2 4.03Å; F122-W138 HydrophobicContact CZ-CZ2 4.27Å; S125-W138 PolarHBondContact OG-NE1 3.22Å; Y136-W138 VanDerWaalsContact O-CD1 3.29Å; Y136-W138 PolarHBondContact O-N 2.92Å; W138-C167 HydrophobicContact CH2-CB 3.84Å; W138-C167 HydrophobicContact CZ3-CB 3.49Å; W138-C167 VanDerWaalsContact CZ3-CB 3.49Å; W138-R170 VanDerWaalsContact CD2-CD 3.47Å; W138-R170 HydrophobicContact CE3-CG 4.38Å; W138-R170 HydrophobicContact CZ3-CB 4.33Å; W138-Q172 HydrophobicContact CE3-CB 3.96Å; W138-F173 CarbonylContact C-O 3.55Å; W138-F173 WeakPolarHBondContact CA-O 3.35Å; W138-Y174 AromaticContact CH2-CD1 3.88Å; W138-Y174 HydrophobicContact CH2-CD1 3.88Å; W138-Y174 HydrophobicContact CH2-CG 4.13Å; W138-Y174 AromaticContact CZ3-CD1 3.75Å; W138-Y174 HydrophobicContact CZ3-CD1 3.75Å; W138-Y174 HydrophobicContact CZ3-CG 4.06Å |
| 139 | K | 98 | Very high | 95 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 143.7 | 175.1 | -69.4 | -65 | -179 | 171.6 | 0 | 111.6 | P152 W164 F173 F225 | K139-P152 HydrophobicContact CB-CB 3.95Å; K139-P152 HydrophobicContact CB-CG 3.77Å; K139-P152 HydrophobicContact CG-CB 4.46Å; K139-P152 HydrophobicContact CG-CG 4.25Å; K139-W164 HydrophobicContact CB-CH2 4.09Å; K139-W164 HydrophobicContact CB-CZ3 3.9Å; K139-W164 HydrophobicContact CG-CH2 3.51Å; K139-W164 HydrophobicContact CG-CZ2 4.44Å; K139-W164 HydrophobicContact CG-CZ3 3.77Å; K139-F173 PolarHBondContact N-O 2.99Å; K139-F173 PolarHBondContact O-N 3.24Å; K139-F225 VanDerWaalsContact NZ-CE2 3.32Å |
| 140 | D | 97.3 | Very high | 94.9 | Very high | 110 Ų | 110 | 77.5 Ų | 77.5 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | trans | -67.9 | 139.9 | 166.8 | -61.7 | -31.6 | 0 | 0 | 0 | 108.9 | Q172 | D140-Q172 WeakPolarHBondContact OD1-CG 3.4Å; D140-Q172 PolarHBondContact OD1-NE2 3.36Å | ||
| 141 | G | 95.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 70.1 Ų | 70.1 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | trans | -82 | 164.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | K143 Q150 | G141-K143 PolarHBondContact O-N 2.92Å; G141-Q150 CarbonylContact C-O 3.58Å; G141-Q150 WeakPolarHBondContact CA-O 3.42Å | ||
| 142 | I | 95.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.2 | 178.5 | -56.9 | 170.7 | 0 | 0 | 0 | 108.6 | Q144 Q150 | I142-Q144 PolarHBondContact O-N 3.46Å; I142-Q150 PolarHBondContact N-O 3.2Å; I142-Q150 PolarHBondContact O-N 3.25Å |
| 143 | K | 93.3 | Very high | 95.5 | Very high | 177 Ų | 177 | 64.9 Ų | 64.9 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 117.9 | 176.8 | -64.7 | -175.4 | -179.5 | -179.5 | 0 | 110.2 | G141 V149 | G141-K143 PolarHBondContact O-N 2.92Å; K143-V149 HydrophobicContact CG-CG2 4.48Å |
| 144 | Q | 91.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | trans | -82.2 | 158.3 | 173.4 | -62.1 | -67.9 | -31.2 | 0 | 0 | 110.8 | I142 S146 G147 I148 Q150 | I142-Q144 PolarHBondContact O-N 3.46Å; Q144-S146 PolarHBondContact O-N 3.28Å; Q144-S146 VanDerWaalsContact O-N 3.14Å; Q144-G147 PolarHBondContact O-N 3.04Å; Q144-I148 WeakPolarHBondContact CB-O 3.44Å; Q144-I148 WeakPolarHBondContact CG-O 3.47Å; Q144-I148 PolarHBondContact N-O 3.17Å; Q144-Q150 HydrophobicContact CG-CG 4.01Å | ||
| 145 | E | 91.8 | Very high | 95.6 | Very high | 211 Ų | 211 | 61.7 Ų | 61.7 | 99% | 0.986 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.1 | 174.2 | -68.1 | -175 | 169.9 | 0 | 0 | 112.7 | G147 | E145-G147 PolarHBondContact O-N 2.95Š|
| 146 | S | 90.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 62.9 Ų | 62.9 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.2 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | Q144 I148 | Q144-S146 PolarHBondContact O-N 3.28Å; Q144-S146 VanDerWaalsContact O-N 3.14Å; S146-I148 VanDerWaalsContact C-N 3.31Å; S146-I148 PolarHBondContact OG-N 3.26Å |
| 147 | G | 88.6 | Confident | 95.3 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 85.5 | -5.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q144 E145 | Q144-G147 PolarHBondContact O-N 3.04Å; E145-G147 PolarHBondContact O-N 2.95Å |
| 148 | I | 91.3 | Very high | 94.9 | Very high | 107 Ų | 107 | 63.9 Ų | 63.9 | 55% | 0.549 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -71 | 133.4 | 174.2 | -61.6 | 174.1 | 0 | 0 | 0 | 109.2 | Q144 S146 | Q144-I148 WeakPolarHBondContact CB-O 3.44Å; Q144-I148 WeakPolarHBondContact CG-O 3.47Å; Q144-I148 PolarHBondContact N-O 3.17Å; S146-I148 VanDerWaalsContact C-N 3.31Å; S146-I148 PolarHBondContact OG-N 3.26Å |
| 149 | V | 94.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.8 | 174.1 | -165.7 | 0 | 0 | 0 | 0 | 108.6 | K143 W166 F173 | K143-V149 HydrophobicContact CG-CG2 4.48Å; V149-W166 HydrophobicContact CG1-CH2 4.43Å; V149-W166 HydrophobicContact CG1-CZ3 4.05Å; V149-F173 HydrophobicContact CG1-CE2 3.88Å |
| 150 | Q | 96.4 | Very high | 93.8 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 155.8 | 177.2 | -69.2 | -176.1 | 8.1 | 0 | 0 | 111.5 | G141 I142 Q144 F173 | G141-Q150 CarbonylContact C-O 3.58Å; G141-Q150 WeakPolarHBondContact CA-O 3.42Å; I142-Q150 PolarHBondContact N-O 3.2Å; I142-Q150 PolarHBondContact O-N 3.25Å; Q144-Q150 HydrophobicContact CG-CG 4.01Å; Q150-F173 WeakPolarHBondContact O-CE2 3.15Å |
| 151 | P | 97.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 153.2 | 168.5 | -29.9 | 37.7 | 0 | 0 | 0 | 113 | N153 W164 F173 | P151-N153 VanDerWaalsContact C-N 3.27Å; P151-N153 PolarHBondContact O-N 3.42Å; P151-W164 HydrophobicContact CB-CB 3.93Å; P151-W164 HydrophobicContact CB-CG 4.1Å; P151-W164 HydrophobicContact CG-CB 4.33Å; P151-F173 HydrophobicContact CG-CE1 4.09Å; P151-F173 HydrophobicContact CG-CZ 4.32Å |
| 152 | P | 97.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -68.7 | -22.5 | -176.8 | 30.1 | -39.1 | 0 | 0 | 0 | 114.1 | K139 W164 | K139-P152 HydrophobicContact CB-CB 3.95Å; K139-P152 HydrophobicContact CB-CG 3.77Å; K139-P152 HydrophobicContact CG-CB 4.46Å; K139-P152 HydrophobicContact CG-CG 4.25Å; P152-W164 HydrophobicContact CG-CD2 3.57Å; P152-W164 HydrophobicContact CG-CE3 3.91Å; P152-W164 HydrophobicContact CG-CG 4.13Å; P152-W164 HydrophobicContact CG-CH2 3.89Å; P152-W164 HydrophobicContact CG-CZ2 3.55Å; P152-W164 HydrophobicContact CG-CZ3 4.06Å |
| 153 | N | 98.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -157.1 | 177.4 | 176.5 | 65.3 | 33.2 | 0 | 0 | 0 | 111 | P151 W155 W164 F225 D227 | P151-N153 VanDerWaalsContact C-N 3.27Å; P151-N153 PolarHBondContact O-N 3.42Å; N153-W155 VanDerWaalsContact C-N 3.32Å; N153-W155 PolarHBondContact O-N 3.41Å; N153-W155 WeakPolarHBondContact OD1-CB 3.4Å; N153-W155 PolarHBondContact OD1-N 3.07Å; N153-W155 VanDerWaalsContact OD1-N 3.13Å; N153-W164 PolarHBondContact OD1-NE1 2.92Å; N153-F225 WeakPolarHBondContact CB-O 3.37Å; N153-F225 PolarHBondContact ND2-O 3.24Å; N153-D227 VanDerWaalsContact CA-OD1 3.23Å; N153-D227 WeakPolarHBondContact CA-OD1 3.4Å; N153-D227 VanDerWaalsContact CB-OD1 3.29Å; N153-D227 WeakPolarHBondContact CB-OD1 3.49Å |
| 154 | N | 97.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 24% | 0.235 | 29% | 0.287 | C | S | . | . | trans | -85.9 | 16 | -175.9 | 74.3 | -6.1 | 0 | 0 | 0 | 115.3 | E156 D227 N228 T249 | N154-E156 PolarHBondContact O-N 3.47Å; N154-D227 PolarHBondContact N-OD1 3.31Å; N154-D227 VanDerWaalsContact OD1-CA 3.26Å; N154-D227 WeakPolarHBondContact OD1-CA 3.24Å; N154-D227 WeakPolarHBondContact OD1-CB 3.15Å; N154-D227 PolarHBondContact OD1-OD1 2.98Å; N154-N228 PolarHBondContact ND2-O 3.12Å; N154-N228 PolarHBondContact OD1-N 3.01Å; N154-T249 HydrophobicContact CB-CG2 4.42Å; N154-T249 WeakPolarHBondContact ND2-CG2 3.33Å | ||
| 155 | W | 97.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | trans | -63.1 | 137.9 | -178.3 | -64.7 | -3.8 | 0 | 0 | 0 | 111.9 | N153 A163 W164 L175 K221 F225 A226 N228 N254 | N153-W155 VanDerWaalsContact C-N 3.32Å; N153-W155 PolarHBondContact O-N 3.41Å; N153-W155 WeakPolarHBondContact OD1-CB 3.4Å; N153-W155 PolarHBondContact OD1-N 3.07Å; N153-W155 VanDerWaalsContact OD1-N 3.13Å; W155-A163 HydrophobicContact CB-CB 4.12Å; W155-A163 PolarHBondContact O-N 3.39Å; W155-W164 HydrophobicContact CE3-CZ2 4.01Å; W155-W164 HydrophobicContact CZ3-CZ2 4.16Å; W155-L175 HydrophobicContact CE3-CD1 3.78Å; W155-L175 HydrophobicContact CE3-CD2 4.45Å; W155-L175 HydrophobicContact CZ3-CD1 4.21Å; W155-L175 HydrophobicContact CZ3-CD2 4.1Å; W155-K221 HydrophobicContact CH2-CB 3.96Å; W155-K221 HydrophobicContact CH2-CG 4.27Å; W155-K221 HydrophobicContact CZ3-CB 4.19Å; W155-K221 HydrophobicContact CZ3-CG 4.04Å; W155-F225 HydrophobicContact CH2-CB 4.44Å; W155-F225 AromaticContact CH2-CD1 3.41Å; W155-F225 HydrophobicContact CH2-CD1 3.41Å; W155-F225 VanDerWaalsContact CH2-CD1 3.41Å; W155-F225 AromaticContact CH2-CE1 3.87Å; W155-F225 HydrophobicContact CH2-CE1 3.87Å; W155-F225 HydrophobicContact CH2-CG 4.12Å; W155-F225 HydrophobicContact CZ2-CD1 4.28Å; W155-F225 AromaticContact CZ3-CD1 3.66Å; W155-F225 HydrophobicContact CZ3-CD1 3.66Å; W155-F225 AromaticContact CZ3-CE1 3.88Å; W155-F225 HydrophobicContact CZ3-CE1 3.88Å; W155-A226 PolarHBondContact NE1-O 2.96Å; W155-N228 VanDerWaalsContact CD1-ND2 3.34Å; W155-N254 HydrophobicContact CD2-CB 3.68Å; W155-N254 HydrophobicContact CE3-CB 3.68Å; W155-N254 HydrophobicContact CG-CB 4.29Å; W155-N254 HydrophobicContact CH2-CB 4.13Å; W155-N254 HydrophobicContact CZ2-CB 4.14Å; W155-N254 HydrophobicContact CZ3-CB 3.91Å | ||
| 156 | E | 96.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -104.7 | 142.1 | -179.5 | -68.3 | 173.1 | -82.4 | 0 | 0 | 111.1 | N154 G161 M247 L248 T249 | N154-E156 PolarHBondContact O-N 3.47Å; E156-G161 CarbonylContact C-O 3.41Å; E156-G161 VanDerWaalsContact CA-O 3.25Å; E156-G161 WeakPolarHBondContact CA-O 3.41Å; E156-M247 HydrophobicContact CB-CE 4.14Å; E156-L248 PolarHBondContact OE1-N 2.69Å; E156-L248 PolarHBondContact OE2-N 3.33Å; E156-T249 WeakPolarHBondContact OE1-CB 3.21Å; E156-T249 PolarHBondContact OE1-N 3.13Å; E156-T249 PolarHBondContact OE1-OG1 3.42Å |
| 157 | S | 94.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | trans | -70.6 | 147.2 | 168 | 164.8 | 0 | 0 | 0 | 0 | 109.7 | I159 G160 G161 T177 F178 | S157-I159 PolarHBondContact O-N 2.61Å; S157-I159 WeakPolarHBondContact OG-CG2 3.23Å; S157-I159 PolarHBondContact OG-N 3.42Å; S157-G160 WeakPolarHBondContact O-CA 3.2Å; S157-G160 PolarHBondContact O-N 3.04Å; S157-G161 PolarHBondContact N-O 3.25Å; S157-T177 WeakPolarHBondContact CA-O 3.32Å; S157-T177 PolarHBondContact OG-O 2.88Å; S157-F178 PolarHBondContact OG-O 3.17Å | ||
| 158 | I | 91.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.5 | 177.2 | -60.7 | -58.9 | 0 | 0 | 0 | 111.9 | G160 T177 F178 Y218 | I158-G160 PolarHBondContact O-N 3.47Å; I158-T177 HydrophobicContact CG1-CG2 3.94Å; I158-T177 PolarHBondContact N-O 2.77Å; I158-F178 HydrophobicContact CB-CD1 3.91Å; I158-F178 HydrophobicContact CB-CE1 4.09Å; I158-F178 HydrophobicContact CG1-CD1 4.16Å; I158-F178 HydrophobicContact CG1-CE1 4Å; I158-F178 HydrophobicContact CG2-CD1 4.32Å; I158-F178 HydrophobicContact CG2-CE1 4.23Å; I158-Y218 HydrophobicContact CD1-CE1 4.22Å; I158-Y218 WeakPolarHBondContact CD1-OH 3.37Å |
| 159 | I | 86.4 | Confident | 95.3 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.3 | 174.7 | -167.5 | 173.6 | 0 | 0 | 0 | 112.4 | S157 L179 Y400 R403 | S157-I159 PolarHBondContact O-N 2.61Å; S157-I159 WeakPolarHBondContact OG-CG2 3.23Å; S157-I159 PolarHBondContact OG-N 3.42Å; I159-L179 HydrophobicContact CD1-CD2 3.35Å; I159-L179 HydrophobicContact CG2-CD2 4.16Å; I159-Y400 HydrophobicContact CB-CD1 4.06Å; I159-Y400 HydrophobicContact CB-CE1 3.79Å; I159-Y400 HydrophobicContact CD1-CD1 3.94Å; I159-Y400 HydrophobicContact CD1-CD2 3.76Å; I159-Y400 HydrophobicContact CD1-CE1 4.22Å; I159-Y400 HydrophobicContact CD1-CE2 4.03Å; I159-Y400 HydrophobicContact CD1-CG 3.69Å; I159-Y400 HydrophobicContact CG1-CD1 3.7Å; I159-Y400 HydrophobicContact CG1-CD2 4.44Å; I159-Y400 HydrophobicContact CG1-CE1 3.95Å; I159-Y400 HydrophobicContact CG1-CG 3.95Å; I159-R403 HydrophobicContact CD1-CB 4.49Å; I159-R403 PolarHBondContact O-NH1 3.45Å; I159-R403 VanDerWaalsContact O-NH1 3.08Å |
| 160 | G | 86.5 | Confident | 95.4 | Very high | 27 Ų | 27 | 43 Ų | 43 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 95.6 | 162.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S157 I158 R403 | S157-G160 WeakPolarHBondContact O-CA 3.2Å; S157-G160 PolarHBondContact O-N 3.04Å; I158-G160 PolarHBondContact O-N 3.47Å; G160-R403 PolarHBondContact O-NH1 2.82Å; G160-R403 PolarHBondContact O-NH2 2.94Å |
| 161 | G | 90.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 73.1 | -172.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E156 S157 | E156-G161 CarbonylContact C-O 3.41Å; E156-G161 VanDerWaalsContact CA-O 3.25Å; E156-G161 WeakPolarHBondContact CA-O 3.41Å; S157-G161 PolarHBondContact N-O 3.25Å |
| 162 | S | 96.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -64.4 | 144.5 | 179.9 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | W164 H176 | S162-W164 PolarHBondContact O-N 2.73Å; S162-W164 PolarHBondContact OG-N 3.14Å; S162-H176 PolarHBondContact O-CE1 3.28Å; S162-H176 VanDerWaalsContact O-CE1 3.24Å |
| 163 | A | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -78.7 | 5.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113 | W155 L175 H176 | W155-A163 HydrophobicContact CB-CB 4.12Å; W155-A163 PolarHBondContact O-N 3.39Å; A163-L175 HydrophobicContact CB-CD1 3.82Å; A163-L175 CarbonylContact O-C 3.29Å; A163-L175 WeakPolarHBondContact O-CA 3.49Å; A163-H176 WeakPolarHBondContact CA-O 3.41Å; A163-H176 PolarHBondContact O-CD2 3.02Å; A163-H176 VanDerWaalsContact O-CD2 3.26Å; A163-H176 PolarHBondContact O-N 3.28Å |
| 164 | W | 98.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.2 | -176 | -63 | 99.9 | 0 | 0 | 0 | 111.6 | I137 K139 P151 P152 N153 W155 S162 F173 Y174 L175 F225 | I137-W164 HydrophobicContact CG2-CH2 4.06Å; I137-W164 HydrophobicContact CG2-CZ3 4.35Å; K139-W164 HydrophobicContact CB-CH2 4.09Å; K139-W164 HydrophobicContact CB-CZ3 3.9Å; K139-W164 HydrophobicContact CG-CH2 3.51Å; K139-W164 HydrophobicContact CG-CZ2 4.44Å; K139-W164 HydrophobicContact CG-CZ3 3.77Å; P151-W164 HydrophobicContact CB-CB 3.93Å; P151-W164 HydrophobicContact CB-CG 4.1Å; P151-W164 HydrophobicContact CG-CB 4.33Å; P152-W164 HydrophobicContact CG-CD2 3.57Å; P152-W164 HydrophobicContact CG-CE3 3.91Å; P152-W164 HydrophobicContact CG-CG 4.13Å; P152-W164 HydrophobicContact CG-CH2 3.89Å; P152-W164 HydrophobicContact CG-CZ2 3.55Å; P152-W164 HydrophobicContact CG-CZ3 4.06Å; N153-W164 PolarHBondContact OD1-NE1 2.92Å; W155-W164 HydrophobicContact CE3-CZ2 4.01Å; W155-W164 HydrophobicContact CZ3-CZ2 4.16Å; S162-W164 PolarHBondContact O-N 2.73Å; S162-W164 PolarHBondContact OG-N 3.14Å; W164-F173 HydrophobicContact CB-CB 4.16Å; W164-F173 HydrophobicContact CB-CD1 3.82Å; W164-F173 HydrophobicContact CB-CG 4.26Å; W164-F173 HydrophobicContact CD2-CB 4.44Å; W164-F173 HydrophobicContact CE3-CB 3.8Å; W164-Y174 WeakPolarHBondContact CA-O 3.3Å; W164-L175 HydrophobicContact CD2-CD1 4.21Å; W164-L175 HydrophobicContact CE3-CB 4.09Å; W164-L175 HydrophobicContact CE3-CD1 4.47Å; W164-L175 HydrophobicContact CH2-CB 3.95Å; W164-L175 HydrophobicContact CH2-CD1 4.18Å; W164-L175 HydrophobicContact CZ2-CD1 3.88Å; W164-L175 HydrophobicContact CZ3-CB 3.72Å; W164-L175 HydrophobicContact CZ3-CD1 4.47Å; W164-F225 HydrophobicContact CH2-CD1 4.04Å; W164-F225 HydrophobicContact CH2-CE1 4.05Å; W164-F225 HydrophobicContact CZ2-CD1 4.05Å; W164-F225 HydrophobicContact CZ2-CE1 4.41Å |
| 165 | E | 98.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 34% | 0.341 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.3 | 177.1 | -178.6 | 68.7 | -146.8 | 0 | 0 | 110.3 | F173 Y174 K180 | E165-F173 CarbonylContact O-C 3.59Å; E165-F173 VanDerWaalsContact O-CA 3.26Å; E165-F173 WeakPolarHBondContact O-CA 3.17Å; E165-Y174 HydrophobicContact CB-CD1 4.24Å; E165-Y174 HydrophobicContact CB-CE1 3.58Å; E165-Y174 HydrophobicContact CB-CE2 4.1Å; E165-Y174 HydrophobicContact CG-CE1 3.64Å; E165-Y174 VanDerWaalsContact CG-OH 3.31Å; E165-Y174 WeakPolarHBondContact CG-OH 3.3Å; E165-Y174 PolarHBondContact N-O 2.72Å; E165-Y174 VanDerWaalsContact N-O 3.11Å; E165-Y174 WeakPolarHBondContact O-CD1 3.48Å; E165-Y174 PolarHBondContact O-N 3.24Å; E165-K180 HydrophobicContact CB-CB 4.43Å; E165-K180 HydrophobicContact CG-CB 4.36Å |
| 166 | W | 97.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 26% | 0.258 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.9 | -178 | 179.1 | -107.8 | 0 | 0 | 0 | 111.5 | V149 E168 E171 F173 | V149-W166 HydrophobicContact CG1-CH2 4.43Å; V149-W166 HydrophobicContact CG1-CZ3 4.05Å; W166-E168 PolarHBondContact NE1-OE1 3.45Å; W166-E168 PolarHBondContact NE1-OE2 3.45Å; W166-E171 HydrophobicContact CH2-CB 4.08Å; W166-E171 WeakPolarHBondContact CH2-O 3.5Å; W166-E171 HydrophobicContact CZ2-CB 4.08Å; W166-F173 HydrophobicContact CB-CD1 4.17Å; W166-F173 HydrophobicContact CB-CE1 3.85Å; W166-F173 HydrophobicContact CB-CZ 4.28Å; W166-F173 HydrophobicContact CE3-CD1 4.41Å; W166-F173 AromaticContact CE3-CD2 3.63Å; W166-F173 HydrophobicContact CE3-CD2 3.63Å; W166-F173 HydrophobicContact CE3-CE1 4.29Å; W166-F173 AromaticContact CE3-CE2 3.46Å; W166-F173 HydrophobicContact CE3-CE2 3.46Å; W166-F173 VanDerWaalsContact CE3-CE2 3.46Å; W166-F173 HydrophobicContact CE3-CG 4.11Å; W166-F173 AromaticContact CE3-CZ 3.82Å; W166-F173 HydrophobicContact CE3-CZ 3.82Å; W166-F173 AromaticContact CZ3-CD2 3.98Å; W166-F173 HydrophobicContact CZ3-CD2 3.98Å; W166-F173 AromaticContact CZ3-CE2 3.85Å; W166-F173 HydrophobicContact CZ3-CE2 3.85Å |
| 167 | C | 97.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 103.2 | 172.4 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | W138 K169 R170 E171 Q172 Y174 | W138-C167 HydrophobicContact CH2-CB 3.84Å; W138-C167 HydrophobicContact CZ3-CB 3.49Å; W138-C167 VanDerWaalsContact CZ3-CB 3.49Å; C167-K169 PolarHBondContact O-N 2.81Å; C167-R170 HydrophobicContact CB-CB 4.21Å; C167-R170 PolarHBondContact O-N 3.41Å; C167-E171 PolarHBondContact O-N 2.86Å; C167-Q172 PolarHBondContact N-O 3.08Å; C167-Y174 HydrophobicContact CB-CD1 4.35Å |
| 168 | E | 95.3 | Very high | 95.7 | Very high | 143 Ų | 143 | 42.8 Ų | 42.8 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -37.9 | -179.8 | -65.6 | -64.7 | 172.5 | 0 | 0 | 113.4 | W166 R170 | W166-E168 PolarHBondContact NE1-OE1 3.45Å; W166-E168 PolarHBondContact NE1-OE2 3.45Å; E168-R170 VanDerWaalsContact C-N 3.31Å; E168-R170 PolarHBondContact O-N 3.48Å |
| 169 | K | 95.1 | Very high | 96 | Very high | 179 Ų | 179 | 41.9 Ų | 41.9 | 78% | 0.778 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -30.8 | -178.8 | -67.4 | -179.7 | -179.4 | 177.4 | 0 | 113.1 | C167 | C167-K169 PolarHBondContact O-N 2.81Š|
| 170 | R | 96.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 5% | 0.045 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -17 | -176.5 | -168.5 | 163.7 | 166.9 | 132 | -4.7 | 112.9 | S125 C126 R128 A133 D134 W138 C167 E168 Q172 | S125-R170 PolarHBondContact O-NH1 3.08Å; C126-R170 WeakPolarHBondContact O-CB 3.3Å; R128-R170 HydrophobicContact CG-CG 4.28Å; R128-R170 PolarHBondContact NH2-O 3.46Å; A133-R170 PolarHBondContact O-NH1 3.45Å; A133-R170 PolarHBondContact O-NH2 3.07Å; A133-R170 VanDerWaalsContact O-NH2 3.16Å; D134-R170 IonicContact OD1-NH2 2.81Å; W138-R170 VanDerWaalsContact CD2-CD 3.47Å; W138-R170 HydrophobicContact CE3-CG 4.38Å; W138-R170 HydrophobicContact CZ3-CB 4.33Å; C167-R170 HydrophobicContact CB-CB 4.21Å; C167-R170 PolarHBondContact O-N 3.41Å; E168-R170 VanDerWaalsContact C-N 3.31Å; E168-R170 PolarHBondContact O-N 3.48Å; R170-Q172 VanDerWaalsContact C-N 3.26Å; R170-Q172 HydrophobicContact CG-CB 4.22Å; R170-Q172 HydrophobicContact CG-CG 4.35Å; R170-Q172 PolarHBondContact O-N 3.28Å |
| 171 | E | 95.8 | Very high | 97 | Very high | 145 Ų | 145 | 46.8 Ų | 46.8 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 39.8 | -171.7 | -57.5 | -178.2 | 168.1 | 0 | 0 | 112.3 | W166 C167 | W166-E171 HydrophobicContact CH2-CB 4.08Å; W166-E171 WeakPolarHBondContact CH2-O 3.5Å; W166-E171 HydrophobicContact CZ2-CB 4.08Å; C167-E171 PolarHBondContact O-N 2.86Å |
| 172 | Q | 98 | Very high | 97.4 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158 | 179.9 | -69.3 | -170.2 | -56.6 | 0 | 0 | 110.9 | R128 W138 D140 C167 R170 | R128-Q172 VanDerWaalsContact NH2-OE1 3.07Å; W138-Q172 HydrophobicContact CE3-CB 3.96Å; D140-Q172 WeakPolarHBondContact OD1-CG 3.4Å; D140-Q172 PolarHBondContact OD1-NE2 3.36Å; C167-Q172 PolarHBondContact N-O 3.08Å; R170-Q172 VanDerWaalsContact C-N 3.26Å; R170-Q172 HydrophobicContact CG-CB 4.22Å; R170-Q172 HydrophobicContact CG-CG 4.35Å; R170-Q172 PolarHBondContact O-N 3.28Å |
| 173 | F | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 6% | 0.057 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.6 | 166.2 | -70.1 | -88.6 | 0 | 0 | 0 | 110.4 | W138 K139 V149 Q150 P151 W164 E165 W166 | W138-F173 CarbonylContact C-O 3.55Å; W138-F173 WeakPolarHBondContact CA-O 3.35Å; K139-F173 PolarHBondContact N-O 2.99Å; K139-F173 PolarHBondContact O-N 3.24Å; V149-F173 HydrophobicContact CG1-CE2 3.88Å; Q150-F173 WeakPolarHBondContact O-CE2 3.15Å; P151-F173 HydrophobicContact CG-CE1 4.09Å; P151-F173 HydrophobicContact CG-CZ 4.32Å; W164-F173 HydrophobicContact CB-CB 4.16Å; W164-F173 HydrophobicContact CB-CD1 3.82Å; W164-F173 HydrophobicContact CB-CG 4.26Å; W164-F173 HydrophobicContact CD2-CB 4.44Å; W164-F173 HydrophobicContact CE3-CB 3.8Å; E165-F173 CarbonylContact O-C 3.59Å; E165-F173 VanDerWaalsContact O-CA 3.26Å; E165-F173 WeakPolarHBondContact O-CA 3.17Å; W166-F173 HydrophobicContact CB-CD1 4.17Å; W166-F173 HydrophobicContact CB-CE1 3.85Å; W166-F173 HydrophobicContact CB-CZ 4.28Å; W166-F173 HydrophobicContact CE3-CD1 4.41Å; W166-F173 AromaticContact CE3-CD2 3.63Å; W166-F173 HydrophobicContact CE3-CD2 3.63Å; W166-F173 HydrophobicContact CE3-CE1 4.29Å; W166-F173 AromaticContact CE3-CE2 3.46Å; W166-F173 HydrophobicContact CE3-CE2 3.46Å; W166-F173 VanDerWaalsContact CE3-CE2 3.46Å; W166-F173 HydrophobicContact CE3-CG 4.11Å; W166-F173 AromaticContact CE3-CZ 3.82Å; W166-F173 HydrophobicContact CE3-CZ 3.82Å; W166-F173 AromaticContact CZ3-CD2 3.98Å; W166-F173 HydrophobicContact CZ3-CD2 3.98Å; W166-F173 AromaticContact CZ3-CE2 3.85Å; W166-F173 HydrophobicContact CZ3-CE2 3.85Å |
| 174 | Y | 98.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 148.8 | 162.3 | 64.1 | -83 | 0 | 0 | 0 | 111 | F122 I137 W138 W164 E165 C167 H176 K180 P183 | F122-Y174 HydrophobicContact CE2-CD1 4.36Å; F122-Y174 HydrophobicContact CE2-CD2 4.03Å; F122-Y174 HydrophobicContact CE2-CE2 4.38Å; F122-Y174 HydrophobicContact CE2-CG 4Å; F122-Y174 AromaticContact CZ-CD1 3.97Å; F122-Y174 HydrophobicContact CZ-CD1 3.97Å; F122-Y174 HydrophobicContact CZ-CD2 4.11Å; F122-Y174 AromaticContact CZ-CE1 3.95Å; F122-Y174 HydrophobicContact CZ-CE1 3.95Å; F122-Y174 HydrophobicContact CZ-CE2 4.07Å; F122-Y174 HydrophobicContact CZ-CG 4.04Å; F122-Y174 AromaticContact CZ-CZ 3.98Å; I137-Y174 WeakPolarHBondContact O-CA 3.46Å; W138-Y174 AromaticContact CH2-CD1 3.88Å; W138-Y174 HydrophobicContact CH2-CD1 3.88Å; W138-Y174 HydrophobicContact CH2-CG 4.13Å; W138-Y174 AromaticContact CZ3-CD1 3.75Å; W138-Y174 HydrophobicContact CZ3-CD1 3.75Å; W138-Y174 HydrophobicContact CZ3-CG 4.06Å; W164-Y174 WeakPolarHBondContact CA-O 3.3Å; E165-Y174 HydrophobicContact CB-CD1 4.24Å; E165-Y174 HydrophobicContact CB-CE1 3.58Å; E165-Y174 HydrophobicContact CB-CE2 4.1Å; E165-Y174 HydrophobicContact CG-CE1 3.64Å; E165-Y174 VanDerWaalsContact CG-OH 3.31Å; E165-Y174 WeakPolarHBondContact CG-OH 3.3Å; E165-Y174 PolarHBondContact N-O 2.72Å; E165-Y174 VanDerWaalsContact N-O 3.11Å; E165-Y174 WeakPolarHBondContact O-CD1 3.48Å; E165-Y174 PolarHBondContact O-N 3.24Å; C167-Y174 HydrophobicContact CB-CD1 4.35Å; Y174-H176 HydrophobicContact CE2-CB 4.33Å; Y174-K180 WeakPolarHBondContact CE2-O 3.29Å; Y174-K180 PolarHBondContact OH-O 3.27Å; Y174-P183 HydrophobicContact CD2-CB 3.7Å; Y174-P183 HydrophobicContact CE2-CB 3.93Å |
| 175 | L | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 138 | 175.2 | -176.3 | 69.1 | 0 | 0 | 0 | 110.8 | I137 W155 A163 W164 D184 K221 | I137-L175 HydrophobicContact CB-CB 4.01Å; I137-L175 HydrophobicContact CB-CD2 4.44Å; I137-L175 HydrophobicContact CD1-CD2 3.94Å; I137-L175 HydrophobicContact CG2-CB 4.02Å; I137-L175 HydrophobicContact CG2-CD2 4.29Å; I137-L175 PolarHBondContact O-N 3.05Å; W155-L175 HydrophobicContact CE3-CD1 3.78Å; W155-L175 HydrophobicContact CE3-CD2 4.45Å; W155-L175 HydrophobicContact CZ3-CD1 4.21Å; W155-L175 HydrophobicContact CZ3-CD2 4.1Å; A163-L175 HydrophobicContact CB-CD1 3.82Å; A163-L175 CarbonylContact O-C 3.29Å; A163-L175 WeakPolarHBondContact O-CA 3.49Å; W164-L175 HydrophobicContact CD2-CD1 4.21Å; W164-L175 HydrophobicContact CE3-CB 4.09Å; W164-L175 HydrophobicContact CE3-CD1 4.47Å; W164-L175 HydrophobicContact CH2-CB 3.95Å; W164-L175 HydrophobicContact CH2-CD1 4.18Å; W164-L175 HydrophobicContact CZ2-CD1 3.88Å; W164-L175 HydrophobicContact CZ3-CB 3.72Å; W164-L175 HydrophobicContact CZ3-CD1 4.47Å; L175-D184 HydrophobicContact CB-CB 4.32Å; L175-D184 HydrophobicContact CD2-CB 4.1Å; L175-D184 HydrophobicContact CG-CB 4.18Å; L175-D184 PolarHBondContact O-N 2.73Å; L175-K221 HydrophobicContact CD2-CD 3.73Å; L175-K221 HydrophobicContact CD2-CG 3.99Å |
| 176 | H | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | trans | -139.8 | 115 | 167.5 | 61.8 | 89.4 | 0 | 0 | 0 | 110 | S162 A163 Y174 F178 L179 Q182 | S162-H176 PolarHBondContact O-CE1 3.28Å; S162-H176 VanDerWaalsContact O-CE1 3.24Å; A163-H176 WeakPolarHBondContact CA-O 3.41Å; A163-H176 PolarHBondContact O-CD2 3.02Å; A163-H176 VanDerWaalsContact O-CD2 3.26Å; A163-H176 PolarHBondContact O-N 3.28Å; Y174-H176 HydrophobicContact CE2-CB 4.33Å; H176-F178 VanDerWaalsContact C-N 3.3Å; H176-F178 PolarHBondContact ND1-O 3.31Å; H176-F178 VanDerWaalsContact ND1-O 3.09Å; H176-F178 PolarHBondContact O-N 2.95Å; H176-L179 WeakPolarHBondContact CB-O 3.45Å; H176-Q182 WeakPolarHBondContact CB-O 3.36Å | ||
| 177 | T | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -69.6 | -31.9 | -179.5 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | S157 I158 D184 Y218 | S157-T177 WeakPolarHBondContact CA-O 3.32Å; S157-T177 PolarHBondContact OG-O 2.88Å; I158-T177 HydrophobicContact CG1-CG2 3.94Å; I158-T177 PolarHBondContact N-O 2.77Å; T177-D184 PolarHBondContact N-OD1 3.29Å; T177-D184 PolarHBondContact OG1-OD1 3.2Å; T177-D184 PolarHBondContact OG1-OD2 2.89Å; T177-Y218 HydrophobicContact CG2-CD1 3.75Å; T177-Y218 HydrophobicContact CG2-CD2 4.06Å; T177-Y218 HydrophobicContact CG2-CE1 4.11Å; T177-Y218 HydrophobicContact CG2-CE2 4.39Å; T177-Y218 HydrophobicContact CG2-CG 3.72Å |
| 178 | F | 96.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -113.3 | -123.6 | -178.3 | -59.7 | -77.5 | 0 | 0 | 0 | 109.9 | H114 S157 I158 H176 A215 Y218 Y400 | H114-F178 AromaticContact CE1-CD2 3.38Å; H114-F178 WeakPolarHBondContact CE1-CD2 3.43Å; H114-F178 AromaticContact CE1-CE2 3.63Å; H114-F178 AromaticContact ND1-CD2 3.68Å; H114-F178 AromaticContact ND1-CE2 3.97Å; S157-F178 PolarHBondContact OG-O 3.17Å; I158-F178 HydrophobicContact CB-CD1 3.91Å; I158-F178 HydrophobicContact CB-CE1 4.09Å; I158-F178 HydrophobicContact CG1-CD1 4.16Å; I158-F178 HydrophobicContact CG1-CE1 4Å; I158-F178 HydrophobicContact CG2-CD1 4.32Å; I158-F178 HydrophobicContact CG2-CE1 4.23Å; H176-F178 VanDerWaalsContact C-N 3.3Å; H176-F178 PolarHBondContact ND1-O 3.31Å; H176-F178 VanDerWaalsContact ND1-O 3.09Å; H176-F178 PolarHBondContact O-N 2.95Å; F178-A215 HydrophobicContact CE2-CB 3.74Å; F178-A215 HydrophobicContact CZ-CB 3.9Å; F178-Y218 HydrophobicContact CE1-CE2 4.5Å; F178-Y218 HydrophobicContact CE2-CD2 4.29Å; F178-Y218 AromaticContact CZ-CD2 3.95Å; F178-Y218 HydrophobicContact CZ-CD2 3.95Å; F178-Y218 AromaticContact CZ-CE2 3.86Å; F178-Y218 HydrophobicContact CZ-CE2 3.86Å; F178-Y400 WeakPolarHBondContact CD1-OH 3.32Å |
| 179 | L | 96.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | trans | -65.6 | 153 | 176.7 | -59.4 | 173.9 | 0 | 0 | 0 | 111 | V70 D71 I159 H176 E181 Q182 P399 | V70-L179 HydrophobicContact CG1-CD1 3.84Å; D71-L179 HydrophobicContact CB-CD1 3.89Å; I159-L179 HydrophobicContact CD1-CD2 3.35Å; I159-L179 HydrophobicContact CG2-CD2 4.16Å; H176-L179 WeakPolarHBondContact CB-O 3.45Å; L179-E181 PolarHBondContact O-N 3.49Å; L179-Q182 HydrophobicContact CB-CB 4.42Å; L179-Q182 HydrophobicContact CB-CG 4.24Å; L179-Q182 WeakPolarHBondContact O-CA 3.41Å; L179-Q182 WeakPolarHBondContact O-CB 3.45Å; L179-Q182 PolarHBondContact O-N 3.44Å; L179-P399 HydrophobicContact CD1-CB 4.09Å; L179-P399 HydrophobicContact CD1-CG 3.84Å; L179-P399 HydrophobicContact CD2-CB 4.02Å; L179-P399 HydrophobicContact CD2-CG 4.42Å | ||
| 180 | K | 96.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 29 Ų | 29 | 41% | 0.413 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.8 | 173.6 | 66.5 | 179 | -176.1 | 178.7 | 0 | 112 | E165 Y174 Q182 | E165-K180 HydrophobicContact CB-CB 4.43Å; E165-K180 HydrophobicContact CG-CB 4.36Å; Y174-K180 WeakPolarHBondContact CE2-O 3.29Å; Y174-K180 PolarHBondContact OH-O 3.27Å; K180-Q182 PolarHBondContact O-N 2.92Å |
| 181 | E | 98 | Very high | 97.7 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 22% | 0.224 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -1 | 171.8 | -62.7 | 77.5 | -168.7 | 0 | 0 | 113.1 | V70 S116 D117 L179 P183 | V70-E181 HydrophobicContact CG1-CB 4.28Å; V70-E181 HydrophobicContact CG1-CG 4.24Å; V70-E181 HydrophobicContact CG2-CB 4.48Å; V70-E181 HydrophobicContact CG2-CG 4.38Å; S116-E181 CarbonylContact C-O 3.22Å; S116-E181 VanDerWaalsContact CA-O 3.29Å; S116-E181 WeakPolarHBondContact CA-O 3.41Å; D117-E181 PolarHBondContact N-O 3.15Å; L179-E181 PolarHBondContact O-N 3.49Å; E181-P183 WeakPolarHBondContact O-CD 3.38Å |
| 182 | Q | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -118.6 | 66.1 | 179.4 | -71.2 | 169.6 | -45.2 | 0 | 0 | 111.8 | D71 D75 H114 T115 H176 L179 K180 | D71-Q182 PolarHBondContact OD2-NE2 3.49Å; D71-Q182 VanDerWaalsContact OD2-NE2 3.15Å; D75-Q182 HydrophobicContact CB-CG 4.03Å; H114-Q182 HydrophobicContact CB-CB 4.31Å; H114-Q182 PolarHBondContact NE2-NE2 3.19Å; T115-Q182 VanDerWaalsContact O-CA 3.28Å; T115-Q182 WeakPolarHBondContact O-CA 3.46Å; H176-Q182 WeakPolarHBondContact CB-O 3.36Å; L179-Q182 HydrophobicContact CB-CB 4.42Å; L179-Q182 HydrophobicContact CB-CG 4.24Å; L179-Q182 WeakPolarHBondContact O-CA 3.41Å; L179-Q182 WeakPolarHBondContact O-CB 3.45Å; L179-Q182 PolarHBondContact O-N 3.44Å; K180-Q182 PolarHBondContact O-N 2.92Å |
| 183 | P | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 135.2 | 179 | 27.4 | -37.9 | 0 | 0 | 0 | 113 | H114 T115 D117 F122 Y136 Y174 E181 | H114-P183 VanDerWaalsContact CA-O 3.27Å; H114-P183 WeakPolarHBondContact CA-O 3.42Å; H114-P183 WeakPolarHBondContact CB-O 3.4Å; T115-P183 PolarHBondContact N-O 3.42Å; T115-P183 VanDerWaalsContact O-CD 3.23Å; T115-P183 WeakPolarHBondContact O-CD 3.38Å; D117-P183 HydrophobicContact CB-CG 4.43Å; F122-P183 HydrophobicContact CB-CG 4.35Å; F122-P183 HydrophobicContact CD1-CG 4.37Å; F122-P183 HydrophobicContact CD2-CB 3.58Å; F122-P183 HydrophobicContact CD2-CG 3.44Å; F122-P183 VanDerWaalsContact CD2-CG 3.44Å; F122-P183 HydrophobicContact CE2-CB 3.43Å; F122-P183 VanDerWaalsContact CE2-CB 3.43Å; F122-P183 HydrophobicContact CE2-CG 3.69Å; F122-P183 HydrophobicContact CG-CB 4.42Å; F122-P183 HydrophobicContact CG-CG 3.8Å; F122-P183 HydrophobicContact CZ-CB 4.16Å; F122-P183 HydrophobicContact CZ-CG 4.22Å; Y136-P183 HydrophobicContact CD1-CB 3.72Å; Y136-P183 HydrophobicContact CD1-CG 4.07Å; Y136-P183 HydrophobicContact CE1-CB 4.03Å; Y136-P183 HydrophobicContact CE1-CG 3.84Å; Y136-P183 WeakPolarHBondContact CE1-O 3.37Å; Y174-P183 HydrophobicContact CD2-CB 3.7Å; Y174-P183 HydrophobicContact CE2-CB 3.93Å; E181-P183 WeakPolarHBondContact O-CD 3.38Å |
| 184 | D | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 132.4 | -175.6 | -79.7 | 23.8 | 0 | 0 | 0 | 112.6 | N113 Y136 I137 L175 T177 K221 | N113-D184 PolarHBondContact ND2-OD1 2.96Å; N113-D184 WeakPolarHBondContact O-CA 3.35Å; Y136-D184 WeakPolarHBondContact CA-O 3.48Å; Y136-D184 WeakPolarHBondContact CD1-O 3.19Å; I137-D184 PolarHBondContact N-O 3.31Å; L175-D184 HydrophobicContact CB-CB 4.32Å; L175-D184 HydrophobicContact CD2-CB 4.1Å; L175-D184 HydrophobicContact CG-CB 4.18Å; L175-D184 PolarHBondContact O-N 2.73Å; T177-D184 PolarHBondContact N-OD1 3.29Å; T177-D184 PolarHBondContact OG1-OD1 3.2Å; T177-D184 PolarHBondContact OG1-OD2 2.89Å; D184-K221 WeakPolarHBondContact OD2-CE 3.31Å; D184-K221 IonicContact OD2-NZ 3.84Å; D184-K221 PolarHBondContact OD2-NZ 2.71Å |
| 185 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 145.6 | 175.4 | -75.6 | 172.5 | 0 | 0 | 0 | 111.6 | P112 N113 T115 W121 F135 Y136 Y187 V192 M196 | P112-L185 WeakPolarHBondContact O-CD1 3.42Å; N113-L185 PolarHBondContact O-N 3.27Å; T115-L185 HydrophobicContact CG2-CD1 3.88Å; T115-L185 HydrophobicContact CG2-CD2 3.99Å; T115-L185 HydrophobicContact CG2-CG 4.01Å; W121-L185 HydrophobicContact CE3-CD2 4.26Å; F135-L185 WeakPolarHBondContact O-CA 3.37Å; F135-L185 WeakPolarHBondContact O-CD2 3.46Å; Y136-L185 HydrophobicContact CD1-CD2 4.24Å; Y136-L185 HydrophobicContact CE1-CD2 3.75Å; Y136-L185 HydrophobicContact CE1-CG 4.3Å; Y136-L185 HydrophobicContact CE2-CD2 4.33Å; L185-Y187 HydrophobicContact CB-CD2 4.45Å; L185-Y187 HydrophobicContact CB-CE2 4.14Å; L185-V192 HydrophobicContact CB-CG1 4.03Å; L185-V192 HydrophobicContact CD1-CG1 4.29Å; L185-V192 HydrophobicContact CD2-CG1 4.19Å; L185-V192 HydrophobicContact CG-CG1 4.41Å; L185-M196 HydrophobicContact CD1-CE 3.94Å |
| 186 | N | 98.5 | Very high | 97.8 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | trans | -96.5 | 90.5 | 176.8 | 178.5 | 17.6 | 0 | 0 | 0 | 111.2 | D134 F135 I137 R188 N189 | D134-N186 WeakPolarHBondContact O-CB 3.41Å; D134-N186 PolarHBondContact O-ND2 3.12Å; D134-N186 VanDerWaalsContact O-ND2 3.15Å; F135-N186 PolarHBondContact O-N 2.94Å; I137-N186 HydrophobicContact CG1-CB 3.78Å; N186-R188 PolarHBondContact O-N 3.38Å; N186-R188 VanDerWaalsContact O-N 3.14Å; N186-R188 WeakPolarHBondContact OD1-CB 3.27Å; N186-R188 PolarHBondContact OD1-N 2.58Å; N186-N189 VanDerWaalsContact O-CB 3.3Å; N186-N189 WeakPolarHBondContact O-CB 2.95Å; N186-N189 PolarHBondContact O-N 3.07Å | ||
| 187 | Y | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -3.4 | 178.4 | -82 | -76.2 | 0 | 0 | 0 | 115.3 | P112 L185 V192 K193 M196 V219 M220 L263 W267 | P112-Y187 HydrophobicContact CB-CE2 4.46Å; P112-Y187 WeakPolarHBondContact CB-OH 3.45Å; P112-Y187 WeakPolarHBondContact O-CE2 3.45Å; P112-Y187 PolarHBondContact O-OH 2.67Å; L185-Y187 HydrophobicContact CB-CD2 4.45Å; L185-Y187 HydrophobicContact CB-CE2 4.14Å; Y187-V192 HydrophobicContact CD1-CG1 3.99Å; Y187-V192 HydrophobicContact CE1-CG1 3.91Å; Y187-V192 HydrophobicContact CG-CG1 4.37Å; Y187-K193 HydrophobicContact CD1-CG 3.93Å; Y187-K193 WeakPolarHBondContact O-CE 3.05Å; Y187-M196 HydrophobicContact CE1-CB 4.38Å; Y187-M196 WeakPolarHBondContact OH-CG 3.4Å; Y187-V219 HydrophobicContact CD2-CB 4.14Å; Y187-V219 HydrophobicContact CE2-CB 4.2Å; Y187-V219 HydrophobicContact CE2-CG1 4.43Å; Y187-M220 VanDerWaalsContact CB-SD 3.57Å; Y187-L263 HydrophobicContact CD1-CD1 3.99Å; Y187-L263 HydrophobicContact CD1-CD2 3.61Å; Y187-L263 HydrophobicContact CD1-CG 4.45Å; Y187-L263 HydrophobicContact CD2-CD2 4.04Å; Y187-L263 HydrophobicContact CE1-CD1 4.41Å; Y187-L263 HydrophobicContact CE1-CD2 4.05Å; Y187-L263 HydrophobicContact CE2-CD2 4.43Å; Y187-L263 HydrophobicContact CG-CD2 3.6Å; Y187-W267 AromaticContact CE1-CZ2 3.89Å; Y187-W267 HydrophobicContact CE1-CZ2 3.89Å; Y187-W267 AromaticContact CZ-CZ2 3.95Å |
| 188 | R | 96 | Very high | 97.9 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21.5 | 166.4 | -65.2 | -171.2 | 170.3 | 78.4 | 10.8 | 112.1 | N186 S190 M220 K221 E223 E259 | N186-R188 PolarHBondContact O-N 3.38Å; N186-R188 VanDerWaalsContact O-N 3.14Å; N186-R188 WeakPolarHBondContact OD1-CB 3.27Å; N186-R188 PolarHBondContact OD1-N 2.58Å; R188-S190 PolarHBondContact O-N 2.99Å; R188-M220 HydrophobicContact CG-CE 4.23Å; R188-K221 PolarHBondContact NH1-O 2.51Å; R188-K221 PolarHBondContact NH2-O 3.24Å; R188-E223 IonicContact CZ-OE1 3.47Å; R188-E223 VanDerWaalsContact NE-CG 3.28Å; R188-E223 IonicContact NE-OE1 3.9Å; R188-E223 PolarHBondContact NE-OE1 3.5Å; R188-E223 IonicContact NH2-OE1 3.52Å; R188-E259 IonicContact NH2-OE1 2.75Å; R188-E259 PolarHBondContact NH2-OE1 3.18Å |
| 189 | N | 97.2 | Very high | 98 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.16 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.1 | 116.5 | 168.7 | -172.3 | -21.4 | 0 | 0 | 0 | 109.7 | D134 N186 D191 V192 K193 | D134-N189 WeakPolarHBondContact O-CB 3.38Å; D134-N189 PolarHBondContact O-ND2 2.88Å; D134-N189 VanDerWaalsContact O-ND2 3.14Å; N186-N189 VanDerWaalsContact O-CB 3.3Å; N186-N189 WeakPolarHBondContact O-CB 2.95Å; N186-N189 PolarHBondContact O-N 3.07Å; N189-D191 PolarHBondContact O-N 3.23Å; N189-D191 VanDerWaalsContact O-N 3.16Å; N189-D191 VanDerWaalsContact OD1-CB 3.31Å; N189-D191 WeakPolarHBondContact OD1-CB 3.5Å; N189-D191 PolarHBondContact OD1-N 3.01Å; N189-V192 HydrophobicContact CB-CB 4.48Å; N189-V192 HydrophobicContact CB-CG2 3.97Å; N189-V192 WeakPolarHBondContact O-CB 3.4Å; N189-V192 PolarHBondContact O-N 2.9Å; N189-K193 PolarHBondContact O-N 2.8Å |
| 190 | S | 96.6 | Very high | 98.1 | Very high | 64 Ų | 64 | 37 Ų | 37 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.8 | -23.2 | -179.9 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | R188 K193 R194 | R188-S190 PolarHBondContact O-N 2.99Å; S190-K193 PolarHBondContact O-N 3.25Å; S190-R194 WeakPolarHBondContact O-CG 3.5Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-R194 VanDerWaalsContact O-N 3.12Å; S190-R194 PolarHBondContact O-NH1 3.28Å; S190-R194 PolarHBondContact OG-NH1 2.95Å; S190-R194 VanDerWaalsContact OG-NH1 3.09Å |
| 191 | D | 98 | Very high | 98.2 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.2 | -35.7 | 180 | -67.1 | 16.2 | 0 | 0 | 0 | 110.9 | F135 N189 K193 R194 E195 | F135-D191 HydrophobicContact CE2-CB 3.71Å; F135-D191 HydrophobicContact CZ-CB 3.88Å; N189-D191 PolarHBondContact O-N 3.23Å; N189-D191 VanDerWaalsContact O-N 3.16Å; N189-D191 VanDerWaalsContact OD1-CB 3.31Å; N189-D191 WeakPolarHBondContact OD1-CB 3.5Å; N189-D191 PolarHBondContact OD1-N 3.01Å; D191-K193 VanDerWaalsContact C-N 3.35Å; D191-R194 PolarHBondContact O-N 3.08Å; D191-R194 IonicContact OD1-CZ 3.1Å; D191-R194 IonicContact OD1-NH1 2.81Å; D191-R194 PolarHBondContact OD1-NH1 3.26Å; D191-R194 IonicContact OD1-NH2 2.64Å; D191-R194 PolarHBondContact OD1-NH2 3.42Å; D191-R194 IonicContact OD2-NH2 3.42Å; D191-R194 PolarHBondContact OD2-NH2 2.92Å; D191-E195 WeakPolarHBondContact O-CB 3.36Å; D191-E195 WeakPolarHBondContact O-CG 3.44Å; D191-E195 PolarHBondContact O-N 3.41Å |
| 192 | V | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | F135 L185 Y187 N189 E195 M196 | F135-V192 HydrophobicContact CB-CG2 4.07Å; F135-V192 HydrophobicContact CD1-CG2 3.92Å; F135-V192 HydrophobicContact CD2-CG2 4.02Å; F135-V192 HydrophobicContact CE1-CG2 4.35Å; F135-V192 HydrophobicContact CE2-CG2 4.43Å; F135-V192 HydrophobicContact CG-CG2 3.75Å; L185-V192 HydrophobicContact CB-CG1 4.03Å; L185-V192 HydrophobicContact CD1-CG1 4.29Å; L185-V192 HydrophobicContact CD2-CG1 4.19Å; L185-V192 HydrophobicContact CG-CG1 4.41Å; Y187-V192 HydrophobicContact CD1-CG1 3.99Å; Y187-V192 HydrophobicContact CE1-CG1 3.91Å; Y187-V192 HydrophobicContact CG-CG1 4.37Å; N189-V192 HydrophobicContact CB-CB 4.48Å; N189-V192 HydrophobicContact CB-CG2 3.97Å; N189-V192 WeakPolarHBondContact O-CB 3.4Å; N189-V192 PolarHBondContact O-N 2.9Å; V192-E195 PolarHBondContact O-N 2.78Å; V192-M196 WeakPolarHBondContact O-CB 3.37Å; V192-M196 PolarHBondContact O-N 3.15Å |
| 193 | K | 98.1 | Very high | 98.3 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 34% | 0.335 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 174.5 | -65.1 | -174.3 | -172.1 | -166.4 | 0 | 111 | Y187 N189 S190 D191 M196 E197 L263 | Y187-K193 HydrophobicContact CD1-CG 3.93Å; Y187-K193 WeakPolarHBondContact O-CE 3.05Å; N189-K193 PolarHBondContact O-N 2.8Å; S190-K193 PolarHBondContact O-N 3.25Å; D191-K193 VanDerWaalsContact C-N 3.35Å; K193-M196 PolarHBondContact O-N 3.44Å; K193-E197 WeakPolarHBondContact O-CG 3.24Å; K193-E197 PolarHBondContact O-N 3.12Å; K193-L263 HydrophobicContact CD-CD1 4.18Å; K193-L263 HydrophobicContact CG-CD1 4.11Å |
| 194 | R | 98.1 | Very high | 98.3 | Very high | 125 Ų | 125 | 33.8 Ų | 33.8 | 47% | 0.472 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | -178.2 | -68.2 | -167.5 | -46.2 | -87.7 | 4.1 | 112.8 | S190 D191 M196 E197 E198 | S190-R194 WeakPolarHBondContact O-CG 3.5Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-R194 VanDerWaalsContact O-N 3.12Å; S190-R194 PolarHBondContact O-NH1 3.28Å; S190-R194 PolarHBondContact OG-NH1 2.95Å; S190-R194 VanDerWaalsContact OG-NH1 3.09Å; D191-R194 PolarHBondContact O-N 3.08Å; D191-R194 IonicContact OD1-CZ 3.1Å; D191-R194 IonicContact OD1-NH1 2.81Å; D191-R194 PolarHBondContact OD1-NH1 3.26Å; D191-R194 IonicContact OD1-NH2 2.64Å; D191-R194 PolarHBondContact OD1-NH2 3.42Å; D191-R194 IonicContact OD2-NH2 3.42Å; D191-R194 PolarHBondContact OD2-NH2 2.92Å; R194-M196 VanDerWaalsContact C-N 3.35Å; R194-E197 PolarHBondContact O-N 3.49Å; R194-E198 PolarHBondContact O-N 3.01Å |
| 195 | E | 98.3 | Very high | 98.2 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.7 | -73.3 | -71.5 | 167.8 | 0 | 0 | 111.6 | R80 W121 K131 F135 D191 V192 E198 I199 | R80-E195 IonicContact CZ-OE2 3.9Å; R80-E195 IonicContact NH2-OE2 3.78Å; R80-E195 PolarHBondContact NH2-OE2 2.83Å; W121-E195 HydrophobicContact CH2-CB 3.7Å; W121-E195 HydrophobicContact CH2-CG 4.46Å; W121-E195 HydrophobicContact CZ2-CB 3.76Å; W121-E195 HydrophobicContact CZ2-CG 4.05Å; K131-E195 IonicContact NZ-OE1 3.83Å; F135-E195 HydrophobicContact CE1-CG 4.26Å; F135-E195 HydrophobicContact CZ-CG 4.32Å; D191-E195 WeakPolarHBondContact O-CB 3.36Å; D191-E195 WeakPolarHBondContact O-CG 3.44Å; D191-E195 PolarHBondContact O-N 3.41Å; V192-E195 PolarHBondContact O-N 2.78Å; E195-E198 PolarHBondContact O-N 3.24Å; E195-I199 WeakPolarHBondContact O-CD1 3.41Å; E195-I199 WeakPolarHBondContact O-CG1 3.15Å; E195-I199 PolarHBondContact O-N 3.48Å |
| 196 | M | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 175.4 | -170.2 | 59.7 | 62.9 | 0 | 0 | 112.2 | Y79 M110 P112 L185 Y187 V192 K193 R194 E198 I199 F200 | Y79-M196 HydrophobicContact CE1-CE 4.39Å; Y79-M196 HydrophobicContact CE2-CE 4.46Å; M110-M196 HydrophobicContact SD-SD 4.28Å; P112-M196 HydrophobicContact CB-CE 4.42Å; P112-M196 HydrophobicContact CB-SD 4.49Å; L185-M196 HydrophobicContact CD1-CE 3.94Å; Y187-M196 HydrophobicContact CE1-CB 4.38Å; Y187-M196 WeakPolarHBondContact OH-CG 3.4Å; V192-M196 WeakPolarHBondContact O-CB 3.37Å; V192-M196 PolarHBondContact O-N 3.15Å; K193-M196 PolarHBondContact O-N 3.44Å; R194-M196 VanDerWaalsContact C-N 3.35Å; M196-E198 VanDerWaalsContact C-N 3.34Å; M196-E198 PolarHBondContact O-N 2.97Å; M196-I199 HydrophobicContact CE-CD1 4.45Å; M196-I199 WeakPolarHBondContact O-CB 3.38Å; M196-I199 PolarHBondContact O-N 3.44Å; M196-I199 HydrophobicContact SD-CB 4.45Å; M196-I199 HydrophobicContact SD-CD1 4.3Å; M196-I199 HydrophobicContact SD-CG2 4.43Å; M196-F200 HydrophobicContact CG-CD2 4.22Å; M196-F200 HydrophobicContact CG-CE2 3.78Å; M196-F200 WeakPolarHBondContact O-CD2 3.41Å; M196-F200 PolarHBondContact O-N 2.79Å; M196-F200 HydrophobicContact SD-CE2 4.43Å |
| 197 | E | 98.7 | Very high | 98.2 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 23% | 0.229 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 173.5 | -72.5 | 176.7 | 170.8 | 0 | 0 | 112 | K193 R194 I199 F200 L201 S266 L270 | K193-E197 WeakPolarHBondContact O-CG 3.24Å; K193-E197 PolarHBondContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.49Å; E197-I199 VanDerWaalsContact C-N 3.33Å; E197-I199 PolarHBondContact O-N 2.77Å; E197-F200 PolarHBondContact O-N 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.36Å; E197-L201 PolarHBondContact O-N 3.41Å; E197-S266 PolarHBondContact OE1-OG 2.87Å; E197-S266 VanDerWaalsContact OE1-OG 3.07Å; E197-L270 HydrophobicContact CB-CD2 3.76Å; E197-L270 HydrophobicContact CG-CD2 3.93Å |
| 198 | E | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 41.3 Ų | 41.3 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -31.1 | 174.4 | -76.7 | -57.4 | 149.9 | 0 | 0 | 113.6 | R194 E195 M196 L201 H202 R205 | R194-E198 PolarHBondContact O-N 3.01Å; E195-E198 PolarHBondContact O-N 3.24Å; M196-E198 VanDerWaalsContact C-N 3.34Å; M196-E198 PolarHBondContact O-N 2.97Å; E198-L201 PolarHBondContact O-N 3.46Å; E198-H202 WeakPolarHBondContact O-CB 3.04Å; E198-H202 PolarHBondContact O-N 2.86Å; E198-R205 IonicContact OE2-CZ 2.88Å; E198-R205 IonicContact OE2-NH1 2.86Å; E198-R205 IonicContact OE2-NH2 2.63Å; E198-R205 PolarHBondContact OE2-NH2 3.04Å |
| 199 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -47 | 171.8 | -74.3 | 160.1 | 0 | 0 | 0 | 110.4 | Y79 M110 W121 E195 M196 E197 L201 H202 W203 | Y79-I199 HydrophobicContact CD1-CD1 4.23Å; Y79-I199 HydrophobicContact CD1-CG2 3.83Å; Y79-I199 HydrophobicContact CD2-CD1 3.71Å; Y79-I199 HydrophobicContact CG-CD1 3.55Å; Y79-I199 HydrophobicContact CG-CG1 4.21Å; Y79-I199 HydrophobicContact CG-CG2 4.01Å; M110-I199 HydrophobicContact CE-CG2 3.7Å; M110-I199 HydrophobicContact SD-CG2 3.92Å; W121-I199 HydrophobicContact CH2-CD1 3.68Å; W121-I199 HydrophobicContact CZ2-CD1 4.47Å; E195-I199 WeakPolarHBondContact O-CD1 3.41Å; E195-I199 WeakPolarHBondContact O-CG1 3.15Å; E195-I199 PolarHBondContact O-N 3.48Å; M196-I199 HydrophobicContact CE-CD1 4.45Å; M196-I199 WeakPolarHBondContact O-CB 3.38Å; M196-I199 PolarHBondContact O-N 3.44Å; M196-I199 HydrophobicContact SD-CB 4.45Å; M196-I199 HydrophobicContact SD-CD1 4.3Å; M196-I199 HydrophobicContact SD-CG2 4.43Å; E197-I199 VanDerWaalsContact C-N 3.33Å; E197-I199 PolarHBondContact O-N 2.77Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 2.95Å; I199-H202 WeakPolarHBondContact O-CB 3.39Å; I199-H202 PolarHBondContact O-N 3.2Å; I199-W203 PolarHBondContact O-N 3.42Å |
| 200 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 173.7 | -74.5 | -63.9 | 0 | 0 | 0 | 111.4 | M110 M196 E197 H202 W203 L204 F211 W267 L270 F271 | M110-F200 HydrophobicContact CB-CE1 3.83Å; M110-F200 HydrophobicContact CB-CZ 4.38Å; M110-F200 HydrophobicContact CE-CD1 4Å; M110-F200 HydrophobicContact CE-CE1 4.13Å; M110-F200 HydrophobicContact CG-CD1 4.24Å; M110-F200 HydrophobicContact CG-CE1 3.44Å; M110-F200 VanDerWaalsContact CG-CE1 3.44Å; M110-F200 HydrophobicContact CG-CZ 3.7Å; M110-F200 HydrophobicContact SD-CE1 4.49Å; M196-F200 HydrophobicContact CG-CD2 4.22Å; M196-F200 HydrophobicContact CG-CE2 3.78Å; M196-F200 WeakPolarHBondContact O-CD2 3.41Å; M196-F200 PolarHBondContact O-N 2.79Å; M196-F200 HydrophobicContact SD-CE2 4.43Å; E197-F200 PolarHBondContact O-N 3.33Å; F200-H202 VanDerWaalsContact C-N 3.29Å; F200-H202 PolarHBondContact O-N 3.5Å; F200-W203 PolarHBondContact O-N 2.87Å; F200-L204 WeakPolarHBondContact O-CG 3.15Å; F200-L204 PolarHBondContact O-N 3.28Å; F200-F211 HydrophobicContact CB-CE2 4.27Å; F200-F211 HydrophobicContact CB-CZ 4.38Å; F200-F211 AromaticContact CD1-CD1 3.98Å; F200-F211 HydrophobicContact CD1-CD1 3.98Å; F200-F211 AromaticContact CD1-CD2 3.62Å; F200-F211 HydrophobicContact CD1-CD2 3.62Å; F200-F211 AromaticContact CD1-CE1 3.99Å; F200-F211 HydrophobicContact CD1-CE1 3.99Å; F200-F211 AromaticContact CD1-CE2 3.62Å; F200-F211 HydrophobicContact CD1-CE2 3.62Å; F200-F211 AromaticContact CD1-CG 3.8Å; F200-F211 HydrophobicContact CD1-CG 3.8Å; F200-F211 AromaticContact CD1-CZ 3.82Å; F200-F211 HydrophobicContact CD1-CZ 3.82Å; F200-F211 HydrophobicContact CE1-CB 4.19Å; F200-F211 HydrophobicContact CE1-CD1 4.17Å; F200-F211 HydrophobicContact CE1-CD2 4Å; F200-F211 HydrophobicContact CE1-CE2 4.45Å; F200-F211 AromaticContact CE1-CG 3.85Å; F200-F211 HydrophobicContact CE1-CG 3.85Å; F200-F211 HydrophobicContact CG-CE2 4.4Å; F200-W267 HydrophobicContact CD2-CG 4.48Å; F200-W267 HydrophobicContact CE2-CB 4.41Å; F200-W267 AromaticContact CE2-CD1 3.9Å; F200-W267 AromaticContact CE2-CD2 3.91Å; F200-W267 HydrophobicContact CE2-CD2 3.91Å; F200-W267 AromaticContact CE2-CG 3.83Å; F200-W267 HydrophobicContact CE2-CG 3.83Å; F200-W267 HydrophobicContact CZ-CD2 4.32Å; F200-W267 HydrophobicContact CZ-CG 4.47Å; F200-L270 HydrophobicContact CB-CD2 4.33Å; F200-F271 HydrophobicContact CB-CE1 3.81Å; F200-F271 AromaticContact CD1-CE1 3.71Å; F200-F271 HydrophobicContact CD1-CE1 3.71Å; F200-F271 AromaticContact CD1-CZ 3.64Å; F200-F271 HydrophobicContact CD1-CZ 3.64Å; F200-F271 HydrophobicContact CD2-CE1 4.14Å; F200-F271 HydrophobicContact CD2-CZ 4.28Å; F200-F271 HydrophobicContact CE1-CE1 4.23Å; F200-F271 AromaticContact CE1-CZ 3.69Å; F200-F271 HydrophobicContact CE1-CZ 3.69Å; F200-F271 HydrophobicContact CE2-CZ 4.35Å; F200-F271 AromaticContact CG-CE1 3.64Å; F200-F271 HydrophobicContact CG-CE1 3.64Å; F200-F271 AromaticContact CG-CZ 3.94Å; F200-F271 HydrophobicContact CG-CZ 3.94Å; F200-F271 HydrophobicContact CZ-CZ 4.07Å |
| 201 | L | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 179.3 | -71.1 | 174.6 | 0 | 0 | 0 | 112.8 | E197 E198 I199 W203 L204 R205 L270 F274 | E197-L201 WeakPolarHBondContact O-CG 3.36Å; E197-L201 PolarHBondContact O-N 3.41Å; E198-L201 PolarHBondContact O-N 3.46Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 2.95Å; L201-W203 PolarHBondContact O-N 3.04Å; L201-L204 PolarHBondContact O-N 3.27Å; L201-R205 VanDerWaalsContact CB-CZ 3.5Å; L201-R205 VanDerWaalsContact CB-NH2 3.3Å; L201-R205 WeakPolarHBondContact O-CB 3.45Å; L201-R205 VanDerWaalsContact O-CG 3.24Å; L201-R205 WeakPolarHBondContact O-CG 3.3Å; L201-R205 PolarHBondContact O-N 2.94Å; L201-R205 PolarHBondContact O-NE 2.96Å; L201-L270 HydrophobicContact CD1-CD1 4.1Å; L201-L270 HydrophobicContact CD2-CD1 3.92Å; L201-L270 HydrophobicContact CD2-CD2 4.44Å; L201-L270 HydrophobicContact CD2-CG 4.15Å; L201-L270 HydrophobicContact CG-CD1 4.1Å; L201-L270 HydrophobicContact CG-CD2 4.15Å; L201-L270 HydrophobicContact CG-CG 4.36Å; L201-F274 HydrophobicContact CD2-CB 4.46Å; L201-F274 HydrophobicContact CD2-CD2 3.71Å; L201-F274 HydrophobicContact CD2-CE2 4.42Å; L201-F274 HydrophobicContact CD2-CG 4.42Å |
| 202 | H | 98.7 | Very high | 98.6 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.1 | -51.2 | 176 | 173.6 | 84.4 | 0 | 0 | 0 | 111.5 | R80 E198 I199 F200 R205 L206 | R80-H202 PolarHBondContact O-NE2 3.38Å; E198-H202 WeakPolarHBondContact O-CB 3.04Å; E198-H202 PolarHBondContact O-N 2.86Å; I199-H202 WeakPolarHBondContact O-CB 3.39Å; I199-H202 PolarHBondContact O-N 3.2Å; F200-H202 VanDerWaalsContact C-N 3.29Å; F200-H202 PolarHBondContact O-N 3.5Å; H202-R205 PolarHBondContact O-N 3.44Å; H202-L206 PolarHBondContact O-N 3.48Å |
| 203 | W | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.6 | -36.1 | -179.9 | -65.5 | 111.9 | 0 | 0 | 0 | 113.2 | Y65 Y79 V82 L92 M108 I199 F200 L201 R205 L206 G207 V208 F211 | Y65-W203 AromaticContact CD1-CZ2 3.62Å; Y65-W203 HydrophobicContact CD1-CZ2 3.62Å; Y65-W203 HydrophobicContact CE1-CD2 4.37Å; Y65-W203 AromaticContact CE1-CE2 3.48Å; Y65-W203 VanDerWaalsContact CE1-CE2 3.48Å; Y65-W203 AromaticContact CE1-CZ2 3.57Å; Y65-W203 HydrophobicContact CE1-CZ2 3.57Å; Y65-W203 AromaticContact CE1-NE1 3.38Å; Y79-W203 VanDerWaalsContact O-CE2 3.23Å; Y79-W203 WeakPolarHBondContact O-CZ2 3.28Å; Y79-W203 PolarHBondContact O-NE1 3.41Å; V82-W203 HydrophobicContact CG2-CH2 4.1Å; V82-W203 HydrophobicContact CG2-CZ3 4.45Å; L92-W203 HydrophobicContact CD2-CE3 3.81Å; L92-W203 HydrophobicContact CD2-CH2 4.27Å; L92-W203 HydrophobicContact CD2-CZ3 3.42Å; L92-W203 VanDerWaalsContact CD2-CZ3 3.42Å; M108-W203 HydrophobicContact CE-CD2 4.24Å; M108-W203 HydrophobicContact CE-CE3 4.31Å; M108-W203 HydrophobicContact SD-CB 4.23Å; M108-W203 HydrophobicContact SD-CD2 3.82Å; M108-W203 HydrophobicContact SD-CE3 3.86Å; M108-W203 HydrophobicContact SD-CG 3.99Å; I199-W203 PolarHBondContact O-N 3.42Å; F200-W203 PolarHBondContact O-N 2.87Å; L201-W203 PolarHBondContact O-N 3.04Å; W203-R205 VanDerWaalsContact C-N 3.29Å; W203-R205 PolarHBondContact O-N 2.62Å; W203-L206 HydrophobicContact CE3-CD2 3.73Å; W203-L206 HydrophobicContact CZ3-CD2 3.61Å; W203-L206 WeakPolarHBondContact O-CB 3.42Å; W203-L206 PolarHBondContact O-N 2.53Å; W203-L206 VanDerWaalsContact O-N 3.1Å; W203-G207 PolarHBondContact O-N 3.25Å; W203-G207 VanDerWaalsContact O-N 3.14Å; W203-V208 HydrophobicContact CB-CB 4.33Å; W203-V208 HydrophobicContact CB-CG2 4Å; W203-V208 WeakPolarHBondContact O-CB 3.09Å; W203-V208 WeakPolarHBondContact O-CG2 3.39Å; W203-V208 PolarHBondContact O-N 3.49Å; W203-V208 VanDerWaalsContact O-N 3.15Å; W203-F211 HydrophobicContact CB-CE1 4.1Å; W203-F211 HydrophobicContact CB-CZ 4.14Å |
| 204 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 173.4 | -72 | 178.7 | 0 | 0 | 0 | 112.3 | F200 L201 L206 G207 V208 F211 F271 F274 I282 | F200-L204 WeakPolarHBondContact O-CG 3.15Å; F200-L204 PolarHBondContact O-N 3.28Å; L201-L204 PolarHBondContact O-N 3.27Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-G207 PolarHBondContact O-N 3.14Å; L204-V208 WeakPolarHBondContact CD2-O 3.44Å; L204-F211 HydrophobicContact CD1-CE2 4.09Å; L204-F211 HydrophobicContact CD2-CE2 3.61Å; L204-F211 HydrophobicContact CD2-CZ 3.94Å; L204-F211 HydrophobicContact CG-CE2 3.66Å; L204-F211 HydrophobicContact CG-CZ 3.83Å; L204-F271 HydrophobicContact CD1-CD1 4.06Å; L204-F274 HydrophobicContact CB-CD1 3.94Å; L204-F274 HydrophobicContact CB-CD2 4.29Å; L204-F274 HydrophobicContact CB-CE1 3.66Å; L204-F274 HydrophobicContact CB-CE2 4.02Å; L204-F274 HydrophobicContact CB-CG 4.26Å; L204-F274 HydrophobicContact CB-CZ 3.7Å; L204-F274 HydrophobicContact CD1-CB 4.16Å; L204-F274 HydrophobicContact CD1-CD1 4Å; L204-F274 HydrophobicContact CD1-CD2 4.42Å; L204-F274 HydrophobicContact CD1-CG 3.92Å; L204-F274 HydrophobicContact CG-CD1 4.4Å; L204-F274 WeakPolarHBondContact O-CZ 3.44Å; L204-I282 HydrophobicContact CD2-CD1 3.84Å; L204-I282 HydrophobicContact CD2-CG1 4.29Å; L204-I282 HydrophobicContact CD2-CG2 3.84Å |
| 205 | R | 98.4 | Very high | 98.6 | Very high | 140 Ų | 140 | 22.4 Ų | 22.4 | 53% | 0.528 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.5 | -31.5 | 173.6 | -76.3 | 179.9 | -79.6 | -115.5 | 7.1 | 112.6 | E198 L201 H202 W203 G207 F274 | E198-R205 IonicContact OE2-CZ 2.88Å; E198-R205 IonicContact OE2-NH1 2.86Å; E198-R205 IonicContact OE2-NH2 2.63Å; E198-R205 PolarHBondContact OE2-NH2 3.04Å; L201-R205 VanDerWaalsContact CB-CZ 3.5Å; L201-R205 VanDerWaalsContact CB-NH2 3.3Å; L201-R205 WeakPolarHBondContact O-CB 3.45Å; L201-R205 VanDerWaalsContact O-CG 3.24Å; L201-R205 WeakPolarHBondContact O-CG 3.3Å; L201-R205 PolarHBondContact O-N 2.94Å; L201-R205 PolarHBondContact O-NE 2.96Å; H202-R205 PolarHBondContact O-N 3.44Å; W203-R205 VanDerWaalsContact C-N 3.29Å; W203-R205 PolarHBondContact O-N 2.62Å; R205-G207 VanDerWaalsContact C-N 3.28Å; R205-F274 HydrophobicContact CG-CE2 3.98Å; R205-F274 HydrophobicContact CG-CZ 4.33Å |
| 206 | L | 98.1 | Very high | 98.6 | Very high | 38 Ų | 38 | 20.3 Ų | 20.3 | 20% | 0.199 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -72.4 | -23.5 | 174.6 | -162.7 | 67.3 | 0 | 0 | 0 | 112.6 | L92 K93 H202 W203 L204 | L92-L206 HydrophobicContact CD2-CD2 4.14Å; K93-L206 HydrophobicContact CB-CD1 3.98Å; K93-L206 HydrophobicContact CB-CG 4.2Å; K93-L206 HydrophobicContact CD-CD1 4.25Å; K93-L206 HydrophobicContact CG-CD1 3.98Å; K93-L206 HydrophobicContact CG-CG 4.3Å; H202-L206 PolarHBondContact O-N 3.48Å; W203-L206 HydrophobicContact CE3-CD2 3.73Å; W203-L206 HydrophobicContact CZ3-CD2 3.61Å; W203-L206 WeakPolarHBondContact O-CB 3.42Å; W203-L206 PolarHBondContact O-N 2.53Å; W203-L206 VanDerWaalsContact O-N 3.1Å; L204-L206 VanDerWaalsContact C-N 3.32Å |
| 207 | G | 98.1 | Very high | 98.5 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 13% | 0.134 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 127 | 2.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | H100 W203 L204 R205 | H100-G207 PolarHBondContact CE1-O 3.29Å; H100-G207 PolarHBondContact NE2-O 2.88Å; W203-G207 PolarHBondContact O-N 3.25Å; W203-G207 VanDerWaalsContact O-N 3.14Å; L204-G207 PolarHBondContact O-N 3.14Å; R205-G207 VanDerWaalsContact C-N 3.28Å |
| 208 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -56.2 | 144 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | I96 M108 W203 L204 G210 F211 K280 | I96-V208 HydrophobicContact CD1-CG2 3.85Å; M108-V208 HydrophobicContact CB-CG1 4.29Å; M108-V208 HydrophobicContact CG-CG1 3.96Å; M108-V208 HydrophobicContact CG-CG2 3.89Å; M108-V208 HydrophobicContact SD-CG1 4.47Å; M108-V208 HydrophobicContact SD-CG2 3.56Å; M108-V208 VanDerWaalsContact SD-CG2 3.56Å; W203-V208 HydrophobicContact CB-CB 4.33Å; W203-V208 HydrophobicContact CB-CG2 4Å; W203-V208 WeakPolarHBondContact O-CB 3.09Å; W203-V208 WeakPolarHBondContact O-CG2 3.39Å; W203-V208 PolarHBondContact O-N 3.49Å; W203-V208 VanDerWaalsContact O-N 3.15Å; L204-V208 WeakPolarHBondContact CD2-O 3.44Å; V208-G210 VanDerWaalsContact CG1-O 3.23Å; V208-G210 WeakPolarHBondContact CG1-O 3.18Å; V208-F211 HydrophobicContact CG1-CE1 4.02Å; V208-F211 HydrophobicContact CG1-CZ 4.21Å; V208-K280 PolarHBondContact O-NZ 2.89Å | ||
| 209 | D | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | trans | -102.1 | -8.4 | -172.6 | -60 | -67.7 | 0 | 0 | 0 | 113.4 | W16 H100 F105 L106 I282 F283 | W16-D209 HydrophobicContact CZ2-CB 4.01Å; H100-D209 IonicContact CD2-OD2 3.61Å; H100-D209 IonicContact CE1-OD1 2.71Å; H100-D209 IonicContact CE1-OD2 3.55Å; H100-D209 IonicContact NE2-OD1 2.91Å; H100-D209 PolarHBondContact NE2-OD1 3.27Å; H100-D209 IonicContact NE2-OD2 3.36Å; H100-D209 PolarHBondContact NE2-OD2 3.03Å; F105-D209 VanDerWaalsContact CA-OD2 3.23Å; F105-D209 WeakPolarHBondContact CA-OD2 3.17Å; F105-D209 HydrophobicContact CB-CB 3.94Å; F105-D209 HydrophobicContact CD1-CB 4.19Å; L106-D209 PolarHBondContact N-OD2 3.35Å; L106-D209 WeakPolarHBondContact O-CB 3.42Å; L106-D209 PolarHBondContact O-N 3.21Å; D209-I282 WeakPolarHBondContact O-CA 3.5Å; D209-F283 PolarHBondContact O-N 3.13Å | ||
| 210 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -177.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | V107 M108 V208 F283 | V107-G210 WeakPolarHBondContact CA-O 3.36Å; M108-G210 PolarHBondContact N-O 2.94Å; V208-G210 VanDerWaalsContact CG1-O 3.23Å; V208-G210 WeakPolarHBondContact CG1-O 3.18Å; G210-F283 CarbonylContact C-O 3.5Å; G210-F283 WeakPolarHBondContact CA-O 3.4Å |
| 211 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139.8 | -176.7 | -56.7 | -77.6 | 0 | 0 | 0 | 112.5 | M108 M110 F200 W203 L204 V208 I213 F271 F283 S284 M285 | M108-F211 HydrophobicContact CB-CD1 4.2Å; M108-F211 HydrophobicContact CB-CE1 4.38Å; M108-F211 CarbonylContact O-C 3.47Å; M108-F211 VanDerWaalsContact O-CA 3.26Å; M108-F211 WeakPolarHBondContact O-CA 3.49Å; M110-F211 HydrophobicContact CB-CD1 4.34Å; M110-F211 HydrophobicContact CE-CD1 4.17Å; M110-F211 HydrophobicContact CE-CE1 4.03Å; F200-F211 HydrophobicContact CB-CE2 4.27Å; F200-F211 HydrophobicContact CB-CZ 4.38Å; F200-F211 AromaticContact CD1-CD1 3.98Å; F200-F211 HydrophobicContact CD1-CD1 3.98Å; F200-F211 AromaticContact CD1-CD2 3.62Å; F200-F211 HydrophobicContact CD1-CD2 3.62Å; F200-F211 AromaticContact CD1-CE1 3.99Å; F200-F211 HydrophobicContact CD1-CE1 3.99Å; F200-F211 AromaticContact CD1-CE2 3.62Å; F200-F211 HydrophobicContact CD1-CE2 3.62Å; F200-F211 AromaticContact CD1-CG 3.8Å; F200-F211 HydrophobicContact CD1-CG 3.8Å; F200-F211 AromaticContact CD1-CZ 3.82Å; F200-F211 HydrophobicContact CD1-CZ 3.82Å; F200-F211 HydrophobicContact CE1-CB 4.19Å; F200-F211 HydrophobicContact CE1-CD1 4.17Å; F200-F211 HydrophobicContact CE1-CD2 4Å; F200-F211 HydrophobicContact CE1-CE2 4.45Å; F200-F211 AromaticContact CE1-CG 3.85Å; F200-F211 HydrophobicContact CE1-CG 3.85Å; F200-F211 HydrophobicContact CG-CE2 4.4Å; W203-F211 HydrophobicContact CB-CE1 4.1Å; W203-F211 HydrophobicContact CB-CZ 4.14Å; L204-F211 HydrophobicContact CD1-CE2 4.09Å; L204-F211 HydrophobicContact CD2-CE2 3.61Å; L204-F211 HydrophobicContact CD2-CZ 3.94Å; L204-F211 HydrophobicContact CG-CE2 3.66Å; L204-F211 HydrophobicContact CG-CZ 3.83Å; V208-F211 HydrophobicContact CG1-CE1 4.02Å; V208-F211 HydrophobicContact CG1-CZ 4.21Å; F211-I213 HydrophobicContact CB-CG1 4.43Å; F211-F271 HydrophobicContact CD2-CD1 4.42Å; F211-F271 AromaticContact CD2-CE1 3.81Å; F211-F271 HydrophobicContact CD2-CE1 3.81Å; F211-F271 HydrophobicContact CD2-CE2 4.02Å; F211-F271 AromaticContact CD2-CZ 3.57Å; F211-F271 HydrophobicContact CD2-CZ 3.57Å; F211-F271 HydrophobicContact CE2-CD1 4.36Å; F211-F271 AromaticContact CE2-CE1 3.87Å; F211-F271 HydrophobicContact CE2-CE1 3.87Å; F211-F271 HydrophobicContact CE2-CZ 4.13Å; F211-F271 HydrophobicContact CG-CZ 4.42Å; F211-F283 PolarHBondContact N-O 3.46Å; F211-S284 WeakPolarHBondContact O-CA 3.35Å; F211-M285 PolarHBondContact O-N 3.29Å |
| 212 | R | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127 | 152.9 | -177.4 | -98.4 | -175 | 167.3 | -11.3 | 107.2 | W60 M108 D109 M110 D214 M285 E287 L307 | W60-R212 HydrophobicContact CD2-CB 4.34Å; W60-R212 HydrophobicContact CH2-CG 3.92Å; W60-R212 HydrophobicContact CZ2-CB 4.01Å; W60-R212 VanDerWaalsContact CZ2-CD 3.4Å; W60-R212 HydrophobicContact CZ2-CG 3.48Å; W60-R212 VanDerWaalsContact CZ2-CG 3.48Å; M108-R212 PolarHBondContact O-N 3.27Å; D109-R212 WeakPolarHBondContact OD1-CD 3.48Å; D109-R212 IonicContact OD1-CZ 2.88Å; D109-R212 IonicContact OD1-NE 3.55Å; D109-R212 IonicContact OD1-NH1 3.99Å; D109-R212 PolarHBondContact OD1-NH1 3.18Å; D109-R212 IonicContact OD2-CZ 3.62Å; D109-R212 IonicContact OD2-NH1 3.65Å; D109-R212 PolarHBondContact OD2-NH1 2.71Å; M110-R212 PolarHBondContact N-O 3.49Å; R212-D214 IonicContact CZ-OD1 2.66Å; R212-D214 VanDerWaalsContact NH1-CB 3.31Å; R212-D214 IonicContact NH1-OD1 3.9Å; R212-D214 PolarHBondContact NH1-OD1 2.92Å; R212-D214 IonicContact NH2-OD1 2.83Å; R212-D214 PolarHBondContact NH2-OD1 3.16Å; R212-M285 CarbonylContact C-O 3.6Å; R212-M285 WeakPolarHBondContact CA-O 3.47Å; R212-M285 HydrophobicContact CB-CE 3.52Å; R212-M285 HydrophobicContact CB-CG 3.91Å; R212-M285 HydrophobicContact CG-CE 3.74Å; R212-M285 HydrophobicContact CG-CG 3.95Å; R212-E287 IonicContact CZ-OE2 3.38Å; R212-E287 VanDerWaalsContact NH2-CB 3.3Å; R212-E287 IonicContact NH2-OE2 3.74Å; R212-E287 PolarHBondContact NH2-OE2 3.08Å; R212-L307 HydrophobicContact CG-CD1 4.29Å |
| 213 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 104.4 | -176.8 | -53 | 176.4 | 0 | 0 | 0 | 107.4 | P112 F211 V216 W267 F271 M285 T286 E287 | P112-I213 HydrophobicContact CG-CG2 3.64Å; F211-I213 HydrophobicContact CB-CG1 4.43Å; I213-V216 HydrophobicContact CG2-CB 4.08Å; I213-V216 HydrophobicContact CG2-CG2 4.02Å; I213-W267 HydrophobicContact CD1-CE3 4.01Å; I213-W267 HydrophobicContact CG2-CE3 4.25Å; I213-W267 HydrophobicContact CG2-CZ3 3.77Å; I213-F271 HydrophobicContact CD1-CE2 4.41Å; I213-M285 PolarHBondContact N-O 2.89Å; I213-T286 HydrophobicContact CB-CG2 4.21Å; I213-T286 HydrophobicContact CD1-CG2 4.2Å; I213-E287 PolarHBondContact O-N 2.89Å |
| 214 | D | 98.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 25.9 Ų | 25.9 | 6% | 0.064 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 147.8 | -176.8 | -178 | 77.4 | 0 | 0 | 0 | 112.8 | Y74 M110 V111 P112 R212 V216 | Y74-D214 WeakPolarHBondContact CE1-OD1 3.21Å; M110-D214 VanDerWaalsContact O-CB 3.3Å; M110-D214 WeakPolarHBondContact O-CB 3.22Å; M110-D214 PolarHBondContact O-N 2.73Å; V111-D214 HydrophobicContact CB-CB 4.41Å; V111-D214 HydrophobicContact CG2-CB 4.02Å; P112-D214 WeakPolarHBondContact CD-O 3.24Å; R212-D214 IonicContact CZ-OD1 2.66Å; R212-D214 VanDerWaalsContact NH1-CB 3.31Å; R212-D214 IonicContact NH1-OD1 3.9Å; R212-D214 PolarHBondContact NH1-OD1 2.92Å; R212-D214 IonicContact NH2-OD1 2.83Å; R212-D214 PolarHBondContact NH2-OD1 3.16Å; D214-V216 PolarHBondContact O-N 3.26Å |
| 215 | A | 97.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N113 F178 I217 Y218 E287 | N113-A215 HydrophobicContact CB-CB 4.13Å; F178-A215 HydrophobicContact CE2-CB 3.74Å; F178-A215 HydrophobicContact CZ-CB 3.9Å; A215-I217 PolarHBondContact O-N 3.04Å; A215-Y218 HydrophobicContact CB-CD2 4.09Å; A215-Y218 PolarHBondContact O-N 2.87Å; A215-Y218 VanDerWaalsContact O-N 3.09Å; A215-E287 PolarHBondContact N-OE2 2.86Å |
| 216 | V | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -69.6 | -24.8 | -166 | 67.6 | 0 | 0 | 0 | 0 | 112.2 | I213 D214 Y218 V219 T260 V264 W267 T286 E287 Y298 | I213-V216 HydrophobicContact CG2-CB 4.08Å; I213-V216 HydrophobicContact CG2-CG2 4.02Å; D214-V216 PolarHBondContact O-N 3.26Å; V216-Y218 PolarHBondContact O-N 2.95Å; V216-Y218 VanDerWaalsContact O-N 3.16Å; V216-V219 HydrophobicContact CG2-CG1 4.44Å; V216-V219 VanDerWaalsContact O-CG2 3.24Å; V216-V219 WeakPolarHBondContact O-CG2 3.23Å; V216-V219 PolarHBondContact O-N 2.89Å; V216-T260 HydrophobicContact CG2-CG2 4.22Å; V216-T260 VanDerWaalsContact O-CG2 3.25Å; V216-T260 WeakPolarHBondContact O-CG2 3.34Å; V216-V264 HydrophobicContact CG2-CG2 3.41Å; V216-V264 VanDerWaalsContact CG2-CG2 3.41Å; V216-W267 HydrophobicContact CG2-CZ3 4.24Å; V216-T286 HydrophobicContact CB-CG2 4.41Å; V216-T286 HydrophobicContact CG1-CG2 3.85Å; V216-T286 HydrophobicContact CG2-CG2 4.27Å; V216-E287 WeakPolarHBondContact CG1-O 3.47Å; V216-E287 PolarHBondContact N-O 2.81Å; V216-Y298 HydrophobicContact CG1-CE1 3.86Å; V216-Y298 HydrophobicContact CG1-CE2 4.23Å; V216-Y298 VanDerWaalsContact CG1-OH 3.24Å; V216-Y298 WeakPolarHBondContact CG1-OH 3.4Å; V216-Y298 HydrophobicContact CG2-CE1 4.06Å |
| 217 | I | 97.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -64.9 | -18.5 | 177.9 | 65.8 | 176.1 | 0 | 0 | 0 | 112.2 | A215 V255 D256 T290 Y298 | A215-I217 PolarHBondContact O-N 3.04Å; I217-V255 HydrophobicContact CB-CG2 3.86Å; I217-V255 HydrophobicContact CD1-CG2 3.73Å; I217-V255 HydrophobicContact CG1-CG2 3.76Å; I217-V255 CarbonylContact O-C 3.59Å; I217-V255 WeakPolarHBondContact O-CA 3.33Å; I217-D256 WeakPolarHBondContact CB-OD1 3.31Å; I217-D256 VanDerWaalsContact CG2-OD1 3.26Å; I217-D256 WeakPolarHBondContact CG2-OD1 3.4Å; I217-D256 PolarHBondContact O-N 2.96Å; I217-T290 HydrophobicContact CG2-CG2 4.04Å; I217-Y298 HydrophobicContact CG2-CE2 4.29Å |
| 218 | Y | 98.2 | Very high | 97.7 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 8% | 0.075 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -102.2 | 3.2 | -177.9 | -54.4 | -69.8 | 0 | 0 | 0 | 113.4 | N113 I158 T177 F178 A215 V216 M220 K221 V255 | N113-Y218 PolarHBondContact OD1-O 3.23Å; I158-Y218 HydrophobicContact CD1-CE1 4.22Å; I158-Y218 WeakPolarHBondContact CD1-OH 3.37Å; T177-Y218 HydrophobicContact CG2-CD1 3.75Å; T177-Y218 HydrophobicContact CG2-CD2 4.06Å; T177-Y218 HydrophobicContact CG2-CE1 4.11Å; T177-Y218 HydrophobicContact CG2-CE2 4.39Å; T177-Y218 HydrophobicContact CG2-CG 3.72Å; F178-Y218 HydrophobicContact CE1-CE2 4.5Å; F178-Y218 HydrophobicContact CE2-CD2 4.29Å; F178-Y218 AromaticContact CZ-CD2 3.95Å; F178-Y218 HydrophobicContact CZ-CD2 3.95Å; F178-Y218 AromaticContact CZ-CE2 3.86Å; F178-Y218 HydrophobicContact CZ-CE2 3.86Å; A215-Y218 HydrophobicContact CB-CD2 4.09Å; A215-Y218 PolarHBondContact O-N 2.87Å; A215-Y218 VanDerWaalsContact O-N 3.09Å; V216-Y218 PolarHBondContact O-N 2.95Å; V216-Y218 VanDerWaalsContact O-N 3.16Å; Y218-M220 PolarHBondContact O-N 2.91Å; Y218-K221 WeakPolarHBondContact O-CE 3.33Å; Y218-K221 PolarHBondContact O-NZ 3.35Å; Y218-V255 HydrophobicContact CD1-CB 4Å; Y218-V255 HydrophobicContact CD1-CG2 3.87Å; Y218-V255 HydrophobicContact CE1-CB 3.97Å; Y218-V255 HydrophobicContact CE1-CG2 3.67Å |
| 219 | V | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -69.7 | -35.4 | -172.7 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | P112 N113 Y187 V216 T260 L263 W267 | P112-V219 HydrophobicContact CB-CG1 4.33Å; P112-V219 HydrophobicContact CG-CG1 3.98Å; N113-V219 HydrophobicContact CB-CG1 4.2Å; Y187-V219 HydrophobicContact CD2-CB 4.14Å; Y187-V219 HydrophobicContact CE2-CB 4.2Å; Y187-V219 HydrophobicContact CE2-CG1 4.43Å; V216-V219 HydrophobicContact CG2-CG1 4.44Å; V216-V219 VanDerWaalsContact O-CG2 3.24Å; V216-V219 WeakPolarHBondContact O-CG2 3.23Å; V216-V219 PolarHBondContact O-N 2.89Å; V219-T260 HydrophobicContact CG2-CG2 3.7Å; V219-L263 HydrophobicContact CB-CD2 4.24Å; V219-L263 HydrophobicContact CG2-CD2 3.84Å; V219-W267 HydrophobicContact CG1-CH2 4.36Å |
| 220 | M | 98 | Very high | 97.4 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | trans | -106.4 | 143.2 | 176 | -63 | -59.8 | -68.7 | 0 | 0 | 111.1 | Y187 R188 Y218 Q257 E259 T260 L263 | Y187-M220 VanDerWaalsContact CB-SD 3.57Å; R188-M220 HydrophobicContact CG-CE 4.23Å; Y218-M220 PolarHBondContact O-N 2.91Å; M220-Q257 HydrophobicContact CB-CB 3.96Å; M220-Q257 WeakPolarHBondContact O-CG 3.04Å; M220-E259 HydrophobicContact CB-CB 4.42Å; M220-E259 HydrophobicContact CE-CB 3.71Å; M220-E259 HydrophobicContact CE-CG 4.36Å; M220-E259 HydrophobicContact CG-CB 3.95Å; M220-T260 WeakPolarHBondContact CB-OG1 3.4Å; M220-L263 HydrophobicContact SD-CD2 4.29Å | ||
| 221 | K | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | trans | -121.7 | 151.1 | 174.6 | -67.1 | 95.1 | -151.8 | -166.3 | 0 | 110.6 | N113 I137 W155 L175 D184 R188 Y218 | N113-K221 PolarHBondContact OD1-NZ 3.17Å; I137-K221 HydrophobicContact CD1-CD 3.38Å; I137-K221 HydrophobicContact CD1-CG 4.47Å; W155-K221 HydrophobicContact CH2-CB 3.96Å; W155-K221 HydrophobicContact CH2-CG 4.27Å; W155-K221 HydrophobicContact CZ3-CB 4.19Å; W155-K221 HydrophobicContact CZ3-CG 4.04Å; L175-K221 HydrophobicContact CD2-CD 3.73Å; L175-K221 HydrophobicContact CD2-CG 3.99Å; D184-K221 WeakPolarHBondContact OD2-CE 3.31Å; D184-K221 IonicContact OD2-NZ 3.84Å; D184-K221 PolarHBondContact OD2-NZ 2.71Å; R188-K221 PolarHBondContact NH1-O 2.51Å; R188-K221 PolarHBondContact NH2-O 3.24Å; Y218-K221 WeakPolarHBondContact O-CE 3.33Å; Y218-K221 PolarHBondContact O-NZ 3.35Å | ||
| 222 | N | 97.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | trans | -60.1 | 139.4 | 177.8 | -167.1 | -83.7 | 0 | 0 | 0 | 111.5 | D224 F225 Y253 Q257 | N222-D224 VanDerWaalsContact C-N 3.28Å; N222-D224 PolarHBondContact O-N 3.14Å; N222-D224 WeakPolarHBondContact OD1-CB 3.23Å; N222-D224 PolarHBondContact OD1-N 3.45Å; N222-F225 WeakPolarHBondContact O-CD2 3.21Å; N222-F225 PolarHBondContact O-N 2.91Å; N222-Y253 HydrophobicContact CB-CD1 4.2Å; N222-Y253 HydrophobicContact CB-CG 4.47Å; N222-Y253 WeakPolarHBondContact CB-O 3.43Å; N222-Y253 PolarHBondContact N-O 2.95Å; N222-Q257 VanDerWaalsContact CB-OE1 3.31Å; N222-Q257 PolarHBondContact ND2-OE1 2.89Å; N222-Q257 VanDerWaalsContact ND2-OE1 3.12Å | ||
| 223 | E | 94.5 | Very high | 95.1 | Very high | 124 Ų | 124 | 45 Ų | 45 | 58% | 0.579 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.3 | -176.1 | -68.6 | -163.6 | 168.3 | 0 | 0 | 114.3 | R188 F225 | R188-E223 IonicContact CZ-OE1 3.47Å; R188-E223 VanDerWaalsContact NE-CG 3.28Å; R188-E223 IonicContact NE-OE1 3.9Å; R188-E223 PolarHBondContact NE-OE1 3.5Å; R188-E223 IonicContact NH2-OE1 3.52Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 VanDerWaalsContact O-CD2 3.27Å; E223-F225 WeakPolarHBondContact O-CD2 3.5Å; E223-F225 PolarHBondContact O-N 2.89Å |
| 224 | D | 95.9 | Very high | 93.9 | Very high | 135 Ų | 135 | 49.2 Ų | 49.2 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.3 | -177.7 | -62.6 | -25.6 | 0 | 0 | 0 | 111.7 | N222 A226 | N222-D224 VanDerWaalsContact C-N 3.28Å; N222-D224 PolarHBondContact O-N 3.14Å; N222-D224 WeakPolarHBondContact OD1-CB 3.23Å; N222-D224 PolarHBondContact OD1-N 3.45Å; D224-A226 PolarHBondContact O-N 3.33Å; D224-A226 VanDerWaalsContact O-N 3.1Å |
| 225 | F | 96.7 | Very high | 93 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | trans | 49.3 | 33.8 | -175.1 | -72 | -96.5 | 0 | 0 | 0 | 112.9 | I137 K139 N153 W155 W164 N222 E223 | I137-F225 HydrophobicContact CG2-CE1 3.62Å; I137-F225 HydrophobicContact CG2-CZ 3.78Å; K139-F225 VanDerWaalsContact NZ-CE2 3.32Å; N153-F225 WeakPolarHBondContact CB-O 3.37Å; N153-F225 PolarHBondContact ND2-O 3.24Å; W155-F225 HydrophobicContact CH2-CB 4.44Å; W155-F225 AromaticContact CH2-CD1 3.41Å; W155-F225 HydrophobicContact CH2-CD1 3.41Å; W155-F225 VanDerWaalsContact CH2-CD1 3.41Å; W155-F225 AromaticContact CH2-CE1 3.87Å; W155-F225 HydrophobicContact CH2-CE1 3.87Å; W155-F225 HydrophobicContact CH2-CG 4.12Å; W155-F225 HydrophobicContact CZ2-CD1 4.28Å; W155-F225 AromaticContact CZ3-CD1 3.66Å; W155-F225 HydrophobicContact CZ3-CD1 3.66Å; W155-F225 AromaticContact CZ3-CE1 3.88Å; W155-F225 HydrophobicContact CZ3-CE1 3.88Å; W164-F225 HydrophobicContact CH2-CD1 4.04Å; W164-F225 HydrophobicContact CH2-CE1 4.05Å; W164-F225 HydrophobicContact CZ2-CD1 4.05Å; W164-F225 HydrophobicContact CZ2-CE1 4.41Å; N222-F225 WeakPolarHBondContact O-CD2 3.21Å; N222-F225 PolarHBondContact O-N 2.91Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 VanDerWaalsContact O-CD2 3.27Å; E223-F225 WeakPolarHBondContact O-CD2 3.5Å; E223-F225 PolarHBondContact O-N 2.89Å | ||
| 226 | A | 97.3 | Very high | 92.1 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 154.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W155 D224 Y253 | W155-A226 PolarHBondContact NE1-O 2.96Å; D224-A226 PolarHBondContact O-N 3.33Å; D224-A226 VanDerWaalsContact O-N 3.1Å; A226-Y253 HydrophobicContact CB-CD2 4.24Å; A226-Y253 HydrophobicContact CB-CE2 4.29Å |
| 227 | D | 97.8 | Very high | 91.4 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 138.2 | 171.1 | -73.8 | -38.1 | 0 | 0 | 0 | 111.3 | N153 N154 Y253 | N153-D227 VanDerWaalsContact CA-OD1 3.23Å; N153-D227 WeakPolarHBondContact CA-OD1 3.4Å; N153-D227 VanDerWaalsContact CB-OD1 3.29Å; N153-D227 WeakPolarHBondContact CB-OD1 3.49Å; N154-D227 PolarHBondContact N-OD1 3.31Å; N154-D227 VanDerWaalsContact OD1-CA 3.26Å; N154-D227 WeakPolarHBondContact OD1-CA 3.24Å; N154-D227 WeakPolarHBondContact OD1-CB 3.15Å; N154-D227 PolarHBondContact OD1-OD1 2.98Å; D227-Y253 VanDerWaalsContact O-CD2 3.31Å; D227-Y253 WeakPolarHBondContact O-CD2 3.48Å; D227-Y253 WeakPolarHBondContact O-CE2 3.35Å |
| 228 | N | 97.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 151 | 167.4 | -80 | -28.8 | 0 | 0 | 0 | 110.7 | N154 W155 V230 T249 V250 K252 Y253 N254 | N154-N228 PolarHBondContact ND2-O 3.12Å; N154-N228 PolarHBondContact OD1-N 3.01Å; W155-N228 VanDerWaalsContact CD1-ND2 3.34Å; N228-V230 PolarHBondContact O-N 3.12Å; N228-T249 HydrophobicContact CB-CG2 4.41Å; N228-V250 WeakPolarHBondContact CB-O 3.48Å; N228-K252 PolarHBondContact OD1-N 3.39Å; N228-Y253 WeakPolarHBondContact OD1-CD2 3.35Å; N228-Y253 PolarHBondContact OD1-N 3.14Å; N228-N254 PolarHBondContact ND2-OD1 3.28Å |
| 229 | P | 95.5 | Very high | 90.1 | Very high | 57 Ų | 57 | 68 Ų | 68 | 37% | 0.37 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 128.7 | 173 | -24.6 | 33.8 | 0 | 0 | 0 | 112 | T249 V250 K252 | P229-T249 CarbonylContact O-C 3.5Å; P229-T249 WeakPolarHBondContact O-CA 3.48Å; P229-T249 WeakPolarHBondContact O-CB 3.4Å; P229-V250 WeakPolarHBondContact CD-O 3.26Å; P229-V250 PolarHBondContact O-N 2.86Å; P229-K252 HydrophobicContact CG-CD 4.16Å |
| 230 | V | 94.3 | Very high | 89.4 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 61% | 0.606 | 43% | 0.431 | S | S | * | . | B | Isolated β-bridge | trans | -79 | 142.3 | 179.3 | -180 | 0 | 0 | 0 | 0 | 110.5 | N228 | N228-V230 PolarHBondContact O-N 3.12Å |
| 231 | V | 89.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 122.3 | 170.2 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | E235 P237 L248 V250 | V231-E235 WeakPolarHBondContact CG1-O 3.43Å; V231-P237 HydrophobicContact CG1-CG 4.46Å; V231-P237 HydrophobicContact CG2-CB 4.07Å; V231-P237 HydrophobicContact CG2-CG 3.99Å; V231-L248 PolarHBondContact N-O 2.61Å; V231-V250 HydrophobicContact CG2-CG2 3.76Å |
| 232 | L | 82 | Confident | 88.5 | Confident | 108 Ų | 108 | 76 Ų | 76 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 146.7 | 178.4 | -62.6 | 177.5 | 0 | 0 | 0 | 111 | G234 E235 | L232-G234 PolarHBondContact O-N 3.09Å; L232-E235 HydrophobicContact CB-CB 4.41Å; L232-E235 HydrophobicContact CB-CG 4.14Å; L232-E235 WeakPolarHBondContact O-CB 3.13Å; L232-E235 PolarHBondContact O-N 3.48Å |
| 233 | D | 77.7 | Confident | 88.1 | Confident | 159 Ų | 159 | 76.9 Ų | 76.9 | 85% | 0.85 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 124.3 | -176.7 | -73.9 | -25.1 | 0 | 0 | 0 | 112.5 | E235 | D233-E235 PolarHBondContact O-N 3.3Š|
| 234 | G | 72.6 | Confident | 87.7 | Confident | 89 Ų | 89 | 75.4 Ų | 75.4 | 92% | 0.918 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -3.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | L232 | L232-G234 PolarHBondContact O-N 3.09Š|
| 235 | E | 79.8 | Confident | 87 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 45% | 0.445 | S | S | . | . | trans | -88.7 | 153.1 | 174.2 | -62.4 | -165.9 | 168.1 | 0 | 0 | 111.9 | V231 L232 D233 | V231-E235 WeakPolarHBondContact CG1-O 3.43Å; L232-E235 HydrophobicContact CB-CB 4.41Å; L232-E235 HydrophobicContact CB-CG 4.14Å; L232-E235 WeakPolarHBondContact O-CB 3.13Å; L232-E235 PolarHBondContact O-N 3.48Å; D233-E235 PolarHBondContact O-N 3.3Å | ||
| 236 | V | 78.6 | Confident | 86.3 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | trans | -105.5 | 122.6 | 171.2 | 173.7 | 0 | 0 | 0 | 0 | 105.8 | K240 | V236-K240 HydrophobicContact CG1-CD 4.35Š| ||
| 237 | P | 84.3 | Confident | 85.9 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 12% | 0.123 | 46% | 0.462 | C | S | . | . | trans | -64.2 | 150.1 | -175.8 | 26.4 | -33.3 | 0 | 0 | 0 | 111.4 | V231 D239 K240 W243 V250 | V231-P237 HydrophobicContact CG1-CG 4.46Å; V231-P237 HydrophobicContact CG2-CB 4.07Å; V231-P237 HydrophobicContact CG2-CG 3.99Å; P237-D239 VanDerWaalsContact C-N 3.34Å; P237-D239 WeakPolarHBondContact CB-O 3.5Å; P237-K240 HydrophobicContact CG-CG 4.34Å; P237-W243 HydrophobicContact CG-CB 4.22Å; P237-W243 HydrophobicContact CG-CD2 3.75Å; P237-W243 HydrophobicContact CG-CE3 4.24Å; P237-W243 HydrophobicContact CG-CG 3.72Å; P237-V250 HydrophobicContact CB-CG2 3.6Å; P237-V250 HydrophobicContact CG-CG2 3.85Å | ||
| 238 | A | 82.3 | Confident | 85.6 | Confident | 117 Ų | 117 | 76.1 Ų | 76.1 | 97% | 0.967 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -65.4 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 239 | D | 85.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 76.2 Ų | 76.2 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | trans | -99.6 | 123.6 | 171.1 | -177.7 | 1.8 | 0 | 0 | 0 | 109.4 | P237 T241 | P237-D239 VanDerWaalsContact C-N 3.34Å; P237-D239 WeakPolarHBondContact CB-O 3.5Å; D239-T241 WeakPolarHBondContact OD1-CB 3.26Å; D239-T241 PolarHBondContact OD1-N 2.74Å; D239-T241 PolarHBondContact OD1-OG1 3.22Å | ||
| 240 | K | 84 | Confident | 85.4 | Confident | 114 Ų | 114 | 74 Ų | 74 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | trans | -117.3 | 8.2 | -178.4 | -64.8 | 178.7 | 176.6 | -178.8 | 0 | 113.2 | V236 P237 H242 W243 | V236-K240 HydrophobicContact CG1-CD 4.35Å; P237-K240 HydrophobicContact CG-CG 4.34Å; K240-H242 PolarHBondContact O-N 3.24Å; K240-W243 PolarHBondContact O-N 2.97Å | ||
| 241 | T | 85.8 | Confident | 85.4 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 26% | 0.258 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -49.2 | -41.7 | -166.5 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | D239 D291 | D239-T241 WeakPolarHBondContact OD1-CB 3.26Å; D239-T241 PolarHBondContact OD1-N 2.74Å; D239-T241 PolarHBondContact OD1-OG1 3.22Å; T241-D291 HydrophobicContact CG2-CB 3.77Å |
| 242 | H | 90 | Very high | 85.7 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 11% | 0.111 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -118.8 | 1.4 | 176.9 | -52 | 114 | 0 | 0 | 0 | 114.2 | K240 P251 V255 D256 T290 | K240-H242 PolarHBondContact O-N 3.24Å; H242-P251 HydrophobicContact CB-CB 3.72Å; H242-P251 HydrophobicContact CB-CG 3.94Å; H242-P251 PolarHBondContact ND1-O 3.45Å; H242-V255 HydrophobicContact CB-CG1 4.4Å; H242-V255 WeakPolarHBondContact ND1-CG1 3.32Å; H242-D256 IonicContact CE1-OD2 3.94Å; H242-D256 IonicContact NE2-OD2 2.65Å; H242-D256 PolarHBondContact NE2-OD2 2.97Å; H242-T290 PolarHBondContact NE2-OG1 3.28Å |
| 243 | W | 89.8 | Confident | 86.4 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 21% | 0.205 | 43% | 0.425 | C | S | . | . | trans | -80.3 | 128.5 | -173.2 | -179.9 | 82.7 | 0 | 0 | 0 | 110.8 | P237 K240 M247 V250 | P237-W243 HydrophobicContact CG-CB 4.22Å; P237-W243 HydrophobicContact CG-CD2 3.75Å; P237-W243 HydrophobicContact CG-CE3 4.24Å; P237-W243 HydrophobicContact CG-CG 3.72Å; K240-W243 PolarHBondContact O-N 2.97Å; W243-M247 PolarHBondContact NE1-O 3.03Å; W243-V250 HydrophobicContact CB-CG1 4.49Å; W243-V250 HydrophobicContact CB-CG2 4.38Å | ||
| 244 | Q | 85.1 | Confident | 87.3 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | trans | -108.5 | 150.1 | 173.5 | -57.5 | -177.7 | 33.8 | 0 | 0 | 110.2 | G246 M247 | Q244-G246 PolarHBondContact O-N 2.9Å; Q244-G246 VanDerWaalsContact O-N 3.14Å; Q244-M247 HydrophobicContact CB-CG 4.19Å; Q244-M247 HydrophobicContact CB-SD 3.94Å; Q244-M247 HydrophobicContact CG-SD 4.26Å; Q244-M247 WeakPolarHBondContact O-CB 3.31Å; Q244-M247 WeakPolarHBondContact O-CG 3.32Å; Q244-M247 PolarHBondContact O-N 2.9Å | ||
| 245 | S | 81.7 | Confident | 88.5 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 83% | 0.832 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 121.4 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 246 | G | 82.3 | Confident | 89.3 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 68% | 0.68 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.6 | -11.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q244 | Q244-G246 PolarHBondContact O-N 2.9Å; Q244-G246 VanDerWaalsContact O-N 3.14Å |
| 247 | M | 88.1 | Confident | 90.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | trans | -73.6 | 138.2 | 172.5 | -61.7 | -174.9 | 76 | 0 | 0 | 111.2 | E156 W243 Q244 T249 P251 | E156-M247 HydrophobicContact CB-CE 4.14Å; W243-M247 PolarHBondContact NE1-O 3.03Å; Q244-M247 HydrophobicContact CB-CG 4.19Å; Q244-M247 HydrophobicContact CB-SD 3.94Å; Q244-M247 HydrophobicContact CG-SD 4.26Å; Q244-M247 WeakPolarHBondContact O-CB 3.31Å; Q244-M247 WeakPolarHBondContact O-CG 3.32Å; Q244-M247 PolarHBondContact O-N 2.9Å; M247-T249 VanDerWaalsContact C-N 3.34Å; M247-P251 HydrophobicContact CE-CG 3.48Å; M247-P251 VanDerWaalsContact CE-CG 3.48Å; M247-P251 HydrophobicContact SD-CG 4.18Å | ||
| 248 | L | 91.4 | Very high | 90.7 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -86 | -9.5 | 178 | -58.3 | 177.9 | 0 | 0 | 0 | 112.7 | E156 V231 | E156-L248 PolarHBondContact OE1-N 2.69Å; E156-L248 PolarHBondContact OE2-N 3.33Å; V231-L248 PolarHBondContact N-O 2.61Å |
| 249 | T | 93.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -135.2 | 155.7 | -180 | 67 | 0 | 0 | 0 | 0 | 111.2 | N154 E156 N228 P229 M247 P251 | N154-T249 HydrophobicContact CB-CG2 4.42Å; N154-T249 WeakPolarHBondContact ND2-CG2 3.33Å; E156-T249 WeakPolarHBondContact OE1-CB 3.21Å; E156-T249 PolarHBondContact OE1-N 3.13Å; E156-T249 PolarHBondContact OE1-OG1 3.42Å; N228-T249 HydrophobicContact CB-CG2 4.41Å; P229-T249 CarbonylContact O-C 3.5Å; P229-T249 WeakPolarHBondContact O-CA 3.48Å; P229-T249 WeakPolarHBondContact O-CB 3.4Å; M247-T249 VanDerWaalsContact C-N 3.34Å; T249-P251 WeakPolarHBondContact O-CD 3.21Å |
| 250 | V | 94.6 | Very high | 92 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | trans | -93.2 | 113.5 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | N228 P229 V231 P237 W243 K252 | N228-V250 WeakPolarHBondContact CB-O 3.48Å; P229-V250 WeakPolarHBondContact CD-O 3.26Å; P229-V250 PolarHBondContact O-N 2.86Å; V231-V250 HydrophobicContact CG2-CG2 3.76Å; P237-V250 HydrophobicContact CB-CG2 3.6Å; P237-V250 HydrophobicContact CG-CG2 3.85Å; W243-V250 HydrophobicContact CB-CG1 4.49Å; W243-V250 HydrophobicContact CB-CG2 4.38Å; V250-K252 PolarHBondContact O-N 3.33Å | ||
| 251 | P | 95.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.032 | 25% | 0.25 | C | S | . | . | trans | -58.6 | 124.3 | 177.7 | -24.3 | 34.1 | 0 | 0 | 0 | 111.9 | H242 M247 T249 V255 | H242-P251 HydrophobicContact CB-CB 3.72Å; H242-P251 HydrophobicContact CB-CG 3.94Å; H242-P251 PolarHBondContact ND1-O 3.45Å; M247-P251 HydrophobicContact CE-CG 3.48Å; M247-P251 VanDerWaalsContact CE-CG 3.48Å; M247-P251 HydrophobicContact SD-CG 4.18Å; T249-P251 WeakPolarHBondContact O-CD 3.21Å; P251-V255 HydrophobicContact CB-CG1 3.83Å | ||
| 252 | K | 95.1 | Very high | 93.3 | Very high | 107 Ų | 107 | 48 Ų | 48 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | trans | -141.8 | -43.4 | -176 | -177.4 | 174.9 | -178.3 | 176.2 | 0 | 113.2 | N228 P229 V250 Q257 | N228-K252 PolarHBondContact OD1-N 3.39Å; P229-K252 HydrophobicContact CG-CD 4.16Å; V250-K252 PolarHBondContact O-N 3.33Å; K252-Q257 PolarHBondContact O-NE2 3.07Å | ||
| 253 | Y | 97.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 47.1 Ų | 47.1 | 26% | 0.255 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -96.7 | -14.1 | -175.1 | -60.7 | -63.7 | 0 | 0 | 0 | 113 | N222 A226 D227 N228 | N222-Y253 HydrophobicContact CB-CD1 4.2Å; N222-Y253 HydrophobicContact CB-CG 4.47Å; N222-Y253 WeakPolarHBondContact CB-O 3.43Å; N222-Y253 PolarHBondContact N-O 2.95Å; A226-Y253 HydrophobicContact CB-CD2 4.24Å; A226-Y253 HydrophobicContact CB-CE2 4.29Å; D227-Y253 VanDerWaalsContact O-CD2 3.31Å; D227-Y253 WeakPolarHBondContact O-CD2 3.48Å; D227-Y253 WeakPolarHBondContact O-CE2 3.35Å; N228-Y253 WeakPolarHBondContact OD1-CD2 3.35Å; N228-Y253 PolarHBondContact OD1-N 3.14Å |
| 254 | N | 96.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -106.6 | 9.3 | -179.2 | 62.1 | -48.2 | 0 | 0 | 0 | 113.8 | W155 N228 | W155-N254 HydrophobicContact CD2-CB 3.68Å; W155-N254 HydrophobicContact CE3-CB 3.68Å; W155-N254 HydrophobicContact CG-CB 4.29Å; W155-N254 HydrophobicContact CH2-CB 4.13Å; W155-N254 HydrophobicContact CZ2-CB 4.14Å; W155-N254 HydrophobicContact CZ3-CB 3.91Å; N228-N254 PolarHBondContact ND2-OD1 3.28Å |
| 255 | V | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -147.8 | 152.8 | -176.5 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | I217 Y218 H242 P251 Q257 | I217-V255 HydrophobicContact CB-CG2 3.86Å; I217-V255 HydrophobicContact CD1-CG2 3.73Å; I217-V255 HydrophobicContact CG1-CG2 3.76Å; I217-V255 CarbonylContact O-C 3.59Å; I217-V255 WeakPolarHBondContact O-CA 3.33Å; Y218-V255 HydrophobicContact CD1-CB 4Å; Y218-V255 HydrophobicContact CD1-CG2 3.87Å; Y218-V255 HydrophobicContact CE1-CB 3.97Å; Y218-V255 HydrophobicContact CE1-CG2 3.67Å; H242-V255 HydrophobicContact CB-CG1 4.4Å; H242-V255 WeakPolarHBondContact ND1-CG1 3.32Å; P251-V255 HydrophobicContact CB-CG1 3.83Å; V255-Q257 PolarHBondContact O-N 3.48Å; V255-Q257 VanDerWaalsContact O-N 3.09Å; V255-Q257 PolarHBondContact O-NE2 2.93Å |
| 256 | D | 96.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | trans | 50.5 | 37.5 | 172.1 | -78.5 | -26.8 | 0 | 0 | 0 | 115.1 | I217 H242 T290 H294 | I217-D256 WeakPolarHBondContact CB-OD1 3.31Å; I217-D256 VanDerWaalsContact CG2-OD1 3.26Å; I217-D256 WeakPolarHBondContact CG2-OD1 3.4Å; I217-D256 PolarHBondContact O-N 2.96Å; H242-D256 IonicContact CE1-OD2 3.94Å; H242-D256 IonicContact NE2-OD2 2.65Å; H242-D256 PolarHBondContact NE2-OD2 2.97Å; D256-T290 WeakPolarHBondContact OD2-CB 3.49Å; D256-T290 PolarHBondContact OD2-OG1 2.95Å; D256-H294 IonicContact OD2-CD2 3.47Å; D256-H294 IonicContact OD2-CG 3.9Å | ||
| 257 | Q | 97.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | trans | -70 | 140.6 | 172.2 | -56.6 | -56.8 | -75.4 | 0 | 0 | 110.5 | M220 N222 K252 V255 E259 T260 | M220-Q257 HydrophobicContact CB-CB 3.96Å; M220-Q257 WeakPolarHBondContact O-CG 3.04Å; N222-Q257 VanDerWaalsContact CB-OE1 3.31Å; N222-Q257 PolarHBondContact ND2-OE1 2.89Å; N222-Q257 VanDerWaalsContact ND2-OE1 3.12Å; K252-Q257 PolarHBondContact O-NE2 3.07Å; V255-Q257 PolarHBondContact O-N 3.48Å; V255-Q257 VanDerWaalsContact O-N 3.09Å; V255-Q257 PolarHBondContact O-NE2 2.93Å; Q257-E259 PolarHBondContact O-N 3.05Å; Q257-E259 VanDerWaalsContact O-N 3.1Å; Q257-T260 WeakPolarHBondContact O-CB 3.33Å; Q257-T260 PolarHBondContact O-N 3.34Å; Q257-T260 PolarHBondContact O-OG1 3.12Å | ||
| 258 | A | 96.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 58% | 0.579 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | T260 Y261 | A258-T260 PolarHBondContact O-N 3.4Å; A258-Y261 WeakPolarHBondContact O-CD2 3.48Å; A258-Y261 PolarHBondContact O-N 3.14Å |
| 259 | E | 97 | Very high | 97.1 | Very high | 73 Ų | 73 | 33.5 Ų | 33.5 | 34% | 0.341 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.4 | -20.8 | 177.1 | -57 | 99.3 | 117.6 | 0 | 0 | 113.3 | R188 M220 Q257 Y261 E262 L263 | R188-E259 IonicContact NH2-OE1 2.75Å; R188-E259 PolarHBondContact NH2-OE1 3.18Å; M220-E259 HydrophobicContact CB-CB 4.42Å; M220-E259 HydrophobicContact CE-CB 3.71Å; M220-E259 HydrophobicContact CE-CG 4.36Å; M220-E259 HydrophobicContact CG-CB 3.95Å; Q257-E259 PolarHBondContact O-N 3.05Å; Q257-E259 VanDerWaalsContact O-N 3.1Å; E259-Y261 VanDerWaalsContact C-N 3.27Å; E259-Y261 PolarHBondContact O-N 3.38Å; E259-E262 PolarHBondContact O-N 3.44Å; E259-L263 PolarHBondContact O-N 3.09Å |
| 260 | T | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.2 | -42.8 | 173.6 | -68 | 0 | 0 | 0 | 0 | 110.9 | V216 V219 M220 Q257 A258 E262 L263 V264 Y298 | V216-T260 HydrophobicContact CG2-CG2 4.22Å; V216-T260 VanDerWaalsContact O-CG2 3.25Å; V216-T260 WeakPolarHBondContact O-CG2 3.34Å; V219-T260 HydrophobicContact CG2-CG2 3.7Å; M220-T260 WeakPolarHBondContact CB-OG1 3.4Å; Q257-T260 WeakPolarHBondContact O-CB 3.33Å; Q257-T260 PolarHBondContact O-N 3.34Å; Q257-T260 PolarHBondContact O-OG1 3.12Å; A258-T260 PolarHBondContact O-N 3.4Å; T260-E262 PolarHBondContact O-N 2.99Å; T260-L263 PolarHBondContact O-N 3.18Å; T260-V264 HydrophobicContact CG2-CG2 4.5Å; T260-V264 WeakPolarHBondContact O-CG2 3.2Å; T260-V264 PolarHBondContact O-N 3.36Å; T260-Y298 HydrophobicContact CG2-CE1 4.03Å; T260-Y298 WeakPolarHBondContact CG2-OH 3.1Å |
| 261 | Y | 97.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -38.8 | -178.4 | -57 | -68.6 | 0 | 0 | 0 | 112.1 | A258 E259 K265 H294 D297 Y298 S301 | A258-Y261 WeakPolarHBondContact O-CD2 3.48Å; A258-Y261 PolarHBondContact O-N 3.14Å; E259-Y261 VanDerWaalsContact C-N 3.27Å; E259-Y261 PolarHBondContact O-N 3.38Å; Y261-K265 WeakPolarHBondContact O-CB 3.34Å; Y261-K265 PolarHBondContact O-N 2.99Å; Y261-H294 WeakPolarHBondContact OH-CA 3.17Å; Y261-H294 PolarHBondContact OH-CD2 2.76Å; Y261-H294 PolarHBondContact OH-O 3.4Å; Y261-D297 HydrophobicContact CD1-CB 4.19Å; Y261-D297 HydrophobicContact CE1-CB 3.61Å; Y261-D297 HydrophobicContact CE2-CB 4.36Å; Y261-Y298 AromaticContact CD1-CD1 3.9Å; Y261-Y298 HydrophobicContact CD1-CD1 3.9Å; Y261-Y298 AromaticContact CD1-CE1 3.99Å; Y261-Y298 HydrophobicContact CD1-CE1 3.99Å; Y261-Y298 HydrophobicContact CD1-CG 4.21Å; Y261-Y298 HydrophobicContact CE1-CD1 4.09Å; Y261-Y298 AromaticContact CE1-CD2 3.96Å; Y261-Y298 HydrophobicContact CE1-CD2 3.96Å; Y261-Y298 HydrophobicContact CE1-CE1 4.05Å; Y261-Y298 AromaticContact CE1-CE2 3.95Å; Y261-Y298 HydrophobicContact CE1-CE2 3.95Å; Y261-Y298 HydrophobicContact CE1-CG 4.04Å; Y261-Y298 AromaticContact CE1-CZ 3.99Å; Y261-S301 VanDerWaalsContact CA-OG 3.32Å; Y261-S301 WeakPolarHBondContact CA-OG 3.45Å; Y261-S301 WeakPolarHBondContact CB-OG 3.22Å; Y261-S301 WeakPolarHBondContact O-CB 3.36Å; Y261-S301 PolarHBondContact O-OG 3.37Å |
| 262 | E | 97.5 | Very high | 97.6 | Very high | 124 Ų | 124 | 39.3 Ų | 39.3 | 58% | 0.579 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -69.9 | -35.4 | 176 | -66.4 | -57.3 | 144.3 | 0 | 0 | 112 | E259 T260 K265 S266 | E259-E262 PolarHBondContact O-N 3.44Å; T260-E262 PolarHBondContact O-N 2.99Å; E262-K265 WeakPolarHBondContact O-CB 3.45Å; E262-K265 PolarHBondContact O-N 2.78Å; E262-S266 PolarHBondContact O-N 2.71Å; E262-S266 VanDerWaalsContact O-N 3.15Å |
| 263 | L | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 173.2 | -179.6 | 63.2 | 0 | 0 | 0 | 111.4 | Y187 K193 V219 M220 E259 T260 K265 S266 W267 | Y187-L263 HydrophobicContact CD1-CD1 3.99Å; Y187-L263 HydrophobicContact CD1-CD2 3.61Å; Y187-L263 HydrophobicContact CD1-CG 4.45Å; Y187-L263 HydrophobicContact CD2-CD2 4.04Å; Y187-L263 HydrophobicContact CE1-CD1 4.41Å; Y187-L263 HydrophobicContact CE1-CD2 4.05Å; Y187-L263 HydrophobicContact CE2-CD2 4.43Å; Y187-L263 HydrophobicContact CG-CD2 3.6Å; K193-L263 HydrophobicContact CD-CD1 4.18Å; K193-L263 HydrophobicContact CG-CD1 4.11Å; V219-L263 HydrophobicContact CB-CD2 4.24Å; V219-L263 HydrophobicContact CG2-CD2 3.84Å; M220-L263 HydrophobicContact SD-CD2 4.29Å; E259-L263 PolarHBondContact O-N 3.09Å; T260-L263 PolarHBondContact O-N 3.18Å; L263-K265 PolarHBondContact O-N 2.92Å; L263-S266 PolarHBondContact O-N 3.23Å; L263-S266 PolarHBondContact O-OG 2.77Å; L263-W267 HydrophobicContact CD1-CZ2 3.99Å; L263-W267 HydrophobicContact CD2-CH2 3.86Å; L263-W267 HydrophobicContact CD2-CZ2 3.7Å; L263-W267 HydrophobicContact CG-CH2 3.97Å; L263-W267 HydrophobicContact CG-CZ2 3.6Å; L263-W267 PolarHBondContact O-N 3.43Å |
| 264 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -36.1 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | V216 T260 S266 W267 T268 T286 Y298 V303 | V216-V264 HydrophobicContact CG2-CG2 3.41Å; V216-V264 VanDerWaalsContact CG2-CG2 3.41Å; T260-V264 HydrophobicContact CG2-CG2 4.5Å; T260-V264 WeakPolarHBondContact O-CG2 3.2Å; T260-V264 PolarHBondContact O-N 3.36Å; V264-S266 VanDerWaalsContact C-N 3.28Å; V264-S266 PolarHBondContact O-N 2.75Å; V264-W267 HydrophobicContact CB-CE3 4.33Å; V264-W267 HydrophobicContact CG2-CE3 3.96Å; V264-W267 HydrophobicContact CG2-CZ3 3.83Å; V264-W267 WeakPolarHBondContact O-CB 3.32Å; V264-W267 PolarHBondContact O-N 2.78Å; V264-W267 VanDerWaalsContact O-N 3.16Å; V264-T268 HydrophobicContact CG1-CG2 4.3Å; V264-T268 WeakPolarHBondContact O-CG2 3.42Å; V264-T268 PolarHBondContact O-N 3.3Å; V264-T268 PolarHBondContact O-OG1 2.92Å; V264-T286 HydrophobicContact CG1-CG2 4.05Å; V264-T286 HydrophobicContact CG2-CG2 4.49Å; V264-Y298 HydrophobicContact CG1-CD1 4.41Å; V264-Y298 HydrophobicContact CG2-CD1 4.34Å; V264-Y298 HydrophobicContact CG2-CE1 3.92Å; V264-V303 HydrophobicContact CG1-CG1 3.47Å; V264-V303 VanDerWaalsContact CG1-CG1 3.47Å |
| 265 | K | 98.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 37% | 0.365 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.6 | -31.8 | 176.2 | -167.7 | 175.4 | -177.7 | 175.4 | 0 | 112.9 | Y261 E262 L263 T268 A269 | Y261-K265 WeakPolarHBondContact O-CB 3.34Å; Y261-K265 PolarHBondContact O-N 2.99Å; E262-K265 WeakPolarHBondContact O-CB 3.45Å; E262-K265 PolarHBondContact O-N 2.78Å; L263-K265 PolarHBondContact O-N 2.92Å; K265-T268 WeakPolarHBondContact CA-OG1 3.42Å; K265-T268 PolarHBondContact O-OG1 3.2Å; K265-T268 VanDerWaalsContact O-OG1 3.13Å; K265-A269 VanDerWaalsContact O-CB 3.32Å; K265-A269 WeakPolarHBondContact O-CB 3.4Å; K265-A269 PolarHBondContact O-N 2.88Å |
| 266 | S | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 173.4 | 90.8 | 0 | 0 | 0 | 0 | 111.2 | E197 E262 L263 V264 A269 L270 | E197-S266 PolarHBondContact OE1-OG 2.87Å; E197-S266 VanDerWaalsContact OE1-OG 3.07Å; E262-S266 PolarHBondContact O-N 2.71Å; E262-S266 VanDerWaalsContact O-N 3.15Å; L263-S266 PolarHBondContact O-N 3.23Å; L263-S266 PolarHBondContact O-OG 2.77Å; V264-S266 VanDerWaalsContact C-N 3.28Å; V264-S266 PolarHBondContact O-N 2.75Å; S266-A269 PolarHBondContact O-N 3.03Å; S266-L270 PolarHBondContact O-N 2.95Å |
| 267 | W | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 176.4 | -57.1 | -26.7 | 0 | 0 | 0 | 112.6 | P112 Y187 F200 I213 V216 V219 L263 V264 A269 L270 F271 | P112-W267 HydrophobicContact CB-CH2 3.6Å; P112-W267 HydrophobicContact CB-CZ2 4.07Å; P112-W267 HydrophobicContact CB-CZ3 4.34Å; P112-W267 HydrophobicContact CG-CH2 3.8Å; P112-W267 HydrophobicContact CG-CZ3 4.12Å; Y187-W267 AromaticContact CE1-CZ2 3.89Å; Y187-W267 HydrophobicContact CE1-CZ2 3.89Å; Y187-W267 AromaticContact CZ-CZ2 3.95Å; F200-W267 HydrophobicContact CD2-CG 4.48Å; F200-W267 HydrophobicContact CE2-CB 4.41Å; F200-W267 AromaticContact CE2-CD1 3.9Å; F200-W267 AromaticContact CE2-CD2 3.91Å; F200-W267 HydrophobicContact CE2-CD2 3.91Å; F200-W267 AromaticContact CE2-CG 3.83Å; F200-W267 HydrophobicContact CE2-CG 3.83Å; F200-W267 HydrophobicContact CZ-CD2 4.32Å; F200-W267 HydrophobicContact CZ-CG 4.47Å; I213-W267 HydrophobicContact CD1-CE3 4.01Å; I213-W267 HydrophobicContact CG2-CE3 4.25Å; I213-W267 HydrophobicContact CG2-CZ3 3.77Å; V216-W267 HydrophobicContact CG2-CZ3 4.24Å; V219-W267 HydrophobicContact CG1-CH2 4.36Å; L263-W267 HydrophobicContact CD1-CZ2 3.99Å; L263-W267 HydrophobicContact CD2-CH2 3.86Å; L263-W267 HydrophobicContact CD2-CZ2 3.7Å; L263-W267 HydrophobicContact CG-CH2 3.97Å; L263-W267 HydrophobicContact CG-CZ2 3.6Å; L263-W267 PolarHBondContact O-N 3.43Å; V264-W267 HydrophobicContact CB-CE3 4.33Å; V264-W267 HydrophobicContact CG2-CE3 3.96Å; V264-W267 HydrophobicContact CG2-CZ3 3.83Å; V264-W267 WeakPolarHBondContact O-CB 3.32Å; V264-W267 PolarHBondContact O-N 2.78Å; V264-W267 VanDerWaalsContact O-N 3.16Å; W267-A269 VanDerWaalsContact C-N 3.32Å; W267-A269 PolarHBondContact O-N 2.82Å; W267-L270 WeakPolarHBondContact O-CB 3.39Å; W267-L270 PolarHBondContact O-N 2.77Å; W267-F271 HydrophobicContact CB-CE1 4.46Å; W267-F271 HydrophobicContact CB-CE2 4.3Å; W267-F271 HydrophobicContact CB-CZ 4Å; W267-F271 WeakPolarHBondContact O-CD1 3.42Å; W267-F271 WeakPolarHBondContact O-CD2 3.44Å; W267-F271 WeakPolarHBondContact O-CG 3.38Å; W267-F271 PolarHBondContact O-N 2.96Å |
| 268 | T | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.5 | -32.8 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | V264 K265 F271 R272 S301 V303 | V264-T268 HydrophobicContact CG1-CG2 4.3Å; V264-T268 WeakPolarHBondContact O-CG2 3.42Å; V264-T268 PolarHBondContact O-N 3.3Å; V264-T268 PolarHBondContact O-OG1 2.92Å; K265-T268 WeakPolarHBondContact CA-OG1 3.42Å; K265-T268 PolarHBondContact O-OG1 3.2Å; K265-T268 VanDerWaalsContact O-OG1 3.13Å; T268-F271 PolarHBondContact O-N 3.24Å; T268-R272 WeakPolarHBondContact O-CB 3.39Å; T268-R272 PolarHBondContact O-N 3Å; T268-S301 WeakPolarHBondContact CB-O 3.43Å; T268-S301 VanDerWaalsContact CG2-O 3.3Å; T268-S301 WeakPolarHBondContact CG2-O 3.48Å; T268-S301 PolarHBondContact OG1-O 2.78Å; T268-V303 HydrophobicContact CG2-CB 4.45Å; T268-V303 HydrophobicContact CG2-CG1 3.82Å |
| 269 | A | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K265 S266 W267 F271 R272 S273 | K265-A269 VanDerWaalsContact O-CB 3.32Å; K265-A269 WeakPolarHBondContact O-CB 3.4Å; K265-A269 PolarHBondContact O-N 2.88Å; S266-A269 PolarHBondContact O-N 3.03Å; W267-A269 VanDerWaalsContact C-N 3.32Å; W267-A269 PolarHBondContact O-N 2.82Å; A269-F271 PolarHBondContact O-N 3.08Å; A269-R272 PolarHBondContact O-N 2.95Å; A269-S273 PolarHBondContact O-N 3.29Å; A269-S273 PolarHBondContact O-OG 3.19Å |
| 270 | L | 98.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 18% | 0.183 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 174.3 | -179.6 | 71.4 | 0 | 0 | 0 | 111.9 | E197 F200 L201 S266 W267 R272 S273 F274 | E197-L270 HydrophobicContact CB-CD2 3.76Å; E197-L270 HydrophobicContact CG-CD2 3.93Å; F200-L270 HydrophobicContact CB-CD2 4.33Å; L201-L270 HydrophobicContact CD1-CD1 4.1Å; L201-L270 HydrophobicContact CD2-CD1 3.92Å; L201-L270 HydrophobicContact CD2-CD2 4.44Å; L201-L270 HydrophobicContact CD2-CG 4.15Å; L201-L270 HydrophobicContact CG-CD1 4.1Å; L201-L270 HydrophobicContact CG-CD2 4.15Å; L201-L270 HydrophobicContact CG-CG 4.36Å; S266-L270 PolarHBondContact O-N 2.95Å; W267-L270 WeakPolarHBondContact O-CB 3.39Å; W267-L270 PolarHBondContact O-N 2.77Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 3.27Å; L270-S273 PolarHBondContact O-N 3.1Å; L270-F274 WeakPolarHBondContact O-CB 3.49Å; L270-F274 PolarHBondContact O-N 3.15Å |
| 271 | F | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 178.7 | -61.5 | -12.8 | 0 | 0 | 0 | 112 | F200 L204 F211 I213 W267 T268 A269 G275 I282 | F200-F271 HydrophobicContact CB-CE1 3.81Å; F200-F271 AromaticContact CD1-CE1 3.71Å; F200-F271 HydrophobicContact CD1-CE1 3.71Å; F200-F271 AromaticContact CD1-CZ 3.64Å; F200-F271 HydrophobicContact CD1-CZ 3.64Å; F200-F271 HydrophobicContact CD2-CE1 4.14Å; F200-F271 HydrophobicContact CD2-CZ 4.28Å; F200-F271 HydrophobicContact CE1-CE1 4.23Å; F200-F271 AromaticContact CE1-CZ 3.69Å; F200-F271 HydrophobicContact CE1-CZ 3.69Å; F200-F271 HydrophobicContact CE2-CZ 4.35Å; F200-F271 AromaticContact CG-CE1 3.64Å; F200-F271 HydrophobicContact CG-CE1 3.64Å; F200-F271 AromaticContact CG-CZ 3.94Å; F200-F271 HydrophobicContact CG-CZ 3.94Å; F200-F271 HydrophobicContact CZ-CZ 4.07Å; L204-F271 HydrophobicContact CD1-CD1 4.06Å; F211-F271 HydrophobicContact CD2-CD1 4.42Å; F211-F271 AromaticContact CD2-CE1 3.81Å; F211-F271 HydrophobicContact CD2-CE1 3.81Å; F211-F271 HydrophobicContact CD2-CE2 4.02Å; F211-F271 AromaticContact CD2-CZ 3.57Å; F211-F271 HydrophobicContact CD2-CZ 3.57Å; F211-F271 HydrophobicContact CE2-CD1 4.36Å; F211-F271 AromaticContact CE2-CE1 3.87Å; F211-F271 HydrophobicContact CE2-CE1 3.87Å; F211-F271 HydrophobicContact CE2-CZ 4.13Å; F211-F271 HydrophobicContact CG-CZ 4.42Å; I213-F271 HydrophobicContact CD1-CE2 4.41Å; W267-F271 HydrophobicContact CB-CE1 4.46Å; W267-F271 HydrophobicContact CB-CE2 4.3Å; W267-F271 HydrophobicContact CB-CZ 4Å; W267-F271 WeakPolarHBondContact O-CD1 3.42Å; W267-F271 WeakPolarHBondContact O-CD2 3.44Å; W267-F271 WeakPolarHBondContact O-CG 3.38Å; W267-F271 PolarHBondContact O-N 2.96Å; T268-F271 PolarHBondContact O-N 3.24Å; A269-F271 PolarHBondContact O-N 3.08Å; F271-G275 PolarHBondContact O-N 2.99Å; F271-I282 HydrophobicContact CB-CB 3.91Å; F271-I282 HydrophobicContact CB-CG2 3.67Å; F271-I282 HydrophobicContact CD1-CG2 4.45Å; F271-I282 HydrophobicContact CD2-CG2 4.32Å; F271-I282 HydrophobicContact CG-CG2 3.89Å; F271-I282 VanDerWaalsContact O-CG1 3.29Å; F271-I282 WeakPolarHBondContact O-CG1 3.28Å |
| 272 | R | 97.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 54 Ų | 54 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | 176.1 | -175 | -174.6 | -63.7 | 109.5 | -10.8 | 111.3 | T268 A269 L270 F274 G275 E276 D302 | T268-R272 WeakPolarHBondContact O-CB 3.39Å; T268-R272 PolarHBondContact O-N 3Å; A269-R272 PolarHBondContact O-N 2.95Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 3.27Å; R272-F274 VanDerWaalsContact C-N 3.34Å; R272-F274 PolarHBondContact O-N 3.45Å; R272-G275 WeakPolarHBondContact O-CA 3.21Å; R272-G275 PolarHBondContact O-N 2.84Å; R272-G275 VanDerWaalsContact O-N 3.12Å; R272-E276 HydrophobicContact CG-CG 4.48Å; R272-E276 WeakPolarHBondContact CG-OE1 3.18Å; R272-E276 WeakPolarHBondContact O-CG 3.4Å; R272-E276 PolarHBondContact O-N 3.41Å; R272-D302 IonicContact CZ-OD2 3.82Å; R272-D302 VanDerWaalsContact NH2-CG 3.34Å; R272-D302 IonicContact NH2-OD2 2.84Å; R272-D302 PolarHBondContact NH2-OD2 3.05Å |
| 273 | S | 98.2 | Very high | 97.7 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61 | -42.3 | 179.1 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | A269 L270 Q277 | A269-S273 PolarHBondContact O-N 3.29Å; A269-S273 PolarHBondContact O-OG 3.19Å; L270-S273 PolarHBondContact O-N 3.1Å; S273-Q277 WeakPolarHBondContact O-CB 3.16Å; S273-Q277 PolarHBondContact O-N 3.21Å; S273-Q277 VanDerWaalsContact O-N 3.09Å |
| 274 | F | 98.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 173.1 | -172.7 | -86 | 0 | 0 | 0 | 111.3 | L201 L204 R205 L270 R272 E276 Q277 H278 I282 | L201-F274 HydrophobicContact CD2-CB 4.46Å; L201-F274 HydrophobicContact CD2-CD2 3.71Å; L201-F274 HydrophobicContact CD2-CE2 4.42Å; L201-F274 HydrophobicContact CD2-CG 4.42Å; L204-F274 HydrophobicContact CB-CD1 3.94Å; L204-F274 HydrophobicContact CB-CD2 4.29Å; L204-F274 HydrophobicContact CB-CE1 3.66Å; L204-F274 HydrophobicContact CB-CE2 4.02Å; L204-F274 HydrophobicContact CB-CG 4.26Å; L204-F274 HydrophobicContact CB-CZ 3.7Å; L204-F274 HydrophobicContact CD1-CB 4.16Å; L204-F274 HydrophobicContact CD1-CD1 4Å; L204-F274 HydrophobicContact CD1-CD2 4.42Å; L204-F274 HydrophobicContact CD1-CG 3.92Å; L204-F274 HydrophobicContact CG-CD1 4.4Å; L204-F274 WeakPolarHBondContact O-CZ 3.44Å; R205-F274 HydrophobicContact CG-CE2 3.98Å; R205-F274 HydrophobicContact CG-CZ 4.33Å; L270-F274 WeakPolarHBondContact O-CB 3.49Å; L270-F274 PolarHBondContact O-N 3.15Å; R272-F274 VanDerWaalsContact C-N 3.34Å; R272-F274 PolarHBondContact O-N 3.45Å; F274-E276 PolarHBondContact O-N 3.18Å; F274-Q277 PolarHBondContact O-N 2.77Å; F274-H278 AromaticContact CD1-CD2 3.89Å; F274-H278 AromaticContact CD2-CD2 3.9Å; F274-H278 HydrophobicContact CE1-CB 4.4Å; F274-H278 AromaticContact CE1-CD2 3.61Å; F274-H278 AromaticContact CE2-CD2 3.65Å; F274-H278 AromaticContact CE2-NE2 3.56Å; F274-H278 AromaticContact CZ-CD2 3.49Å; F274-H278 VanDerWaalsContact CZ-CD2 3.49Å; F274-H278 WeakPolarHBondContact CZ-CD2 3.36Å; F274-H278 AromaticContact CZ-NE2 3.62Å; F274-H278 WeakPolarHBondContact O-CB 3.41Å; F274-H278 PolarHBondContact O-CD2 3.07Å; F274-H278 VanDerWaalsContact O-CD2 3.24Å; F274-H278 PolarHBondContact O-N 2.87Å; F274-I282 HydrophobicContact CD1-CD1 4.18Å; F274-I282 HydrophobicContact CD1-CG1 4.34Å |
| 275 | G | 97.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F271 R272 H278 N279 K280 | F271-G275 PolarHBondContact O-N 2.99Å; R272-G275 WeakPolarHBondContact O-CA 3.21Å; R272-G275 PolarHBondContact O-N 2.84Å; R272-G275 VanDerWaalsContact O-N 3.12Å; G275-H278 CarbonylContact O-C 3.53Å; G275-H278 PolarHBondContact O-N 3.05Å; G275-N279 CarbonylContact O-C 3.49Å; G275-N279 WeakPolarHBondContact O-CA 3.46Å; G275-N279 PolarHBondContact O-N 3.1Å; G275-K280 CarbonylContact C-O 3.58Å; G275-K280 WeakPolarHBondContact CA-O 3.41Å; G275-K280 PolarHBondContact O-N 2.79Å; G275-K280 VanDerWaalsContact O-O 3.12Å |
| 276 | E | 96.9 | Very high | 97.7 | Very high | 140 Ų | 140 | 44.1 Ų | 44.1 | 65% | 0.654 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.1 | -44.9 | 176.5 | -73.2 | 170.2 | -177.9 | 0 | 0 | 111.9 | R272 F274 H278 N279 | R272-E276 HydrophobicContact CG-CG 4.48Å; R272-E276 WeakPolarHBondContact CG-OE1 3.18Å; R272-E276 WeakPolarHBondContact O-CG 3.4Å; R272-E276 PolarHBondContact O-N 3.41Å; F274-E276 PolarHBondContact O-N 3.18Å; E276-H278 VanDerWaalsContact C-N 3.27Å; E276-H278 PolarHBondContact O-N 3.48Å; E276-N279 PolarHBondContact O-N 3.15Å |
| 277 | Q | 97.3 | Very high | 97.6 | Very high | 153 Ų | 153 | 42.8 Ų | 42.8 | 72% | 0.715 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.5 | -35.6 | 177.4 | 179.1 | 179.3 | -10.9 | 0 | 0 | 112.6 | S273 F274 | S273-Q277 WeakPolarHBondContact O-CB 3.16Å; S273-Q277 PolarHBondContact O-N 3.21Å; S273-Q277 VanDerWaalsContact O-N 3.09Å; F274-Q277 PolarHBondContact O-N 2.77Å |
| 278 | H | 96.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -103.9 | 7.2 | -175.2 | -70.3 | -82.8 | 0 | 0 | 0 | 113.9 | F274 G275 E276 K280 | F274-H278 AromaticContact CD1-CD2 3.89Å; F274-H278 AromaticContact CD2-CD2 3.9Å; F274-H278 HydrophobicContact CE1-CB 4.4Å; F274-H278 AromaticContact CE1-CD2 3.61Å; F274-H278 AromaticContact CE2-CD2 3.65Å; F274-H278 AromaticContact CE2-NE2 3.56Å; F274-H278 AromaticContact CZ-CD2 3.49Å; F274-H278 VanDerWaalsContact CZ-CD2 3.49Å; F274-H278 WeakPolarHBondContact CZ-CD2 3.36Å; F274-H278 AromaticContact CZ-NE2 3.62Å; F274-H278 WeakPolarHBondContact O-CB 3.41Å; F274-H278 PolarHBondContact O-CD2 3.07Å; F274-H278 VanDerWaalsContact O-CD2 3.24Å; F274-H278 PolarHBondContact O-N 2.87Å; G275-H278 CarbonylContact O-C 3.53Å; G275-H278 PolarHBondContact O-N 3.05Å; E276-H278 VanDerWaalsContact C-N 3.27Å; E276-H278 PolarHBondContact O-N 3.48Å; H278-K280 HydrophobicContact CB-CG 4.15Å; H278-K280 PolarHBondContact O-N 2.85Å |
| 279 | N | 94.9 | Very high | 97 | Very high | 131 Ų | 131 | 46.6 Ų | 46.6 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.3 | -176.2 | -167.2 | 40.8 | 0 | 0 | 0 | 113.6 | C13 G275 E276 | C13-N279 PolarHBondContact SG-O 2.81Å; G275-N279 CarbonylContact O-C 3.49Å; G275-N279 WeakPolarHBondContact O-CA 3.46Å; G275-N279 PolarHBondContact O-N 3.1Å; E276-N279 PolarHBondContact O-N 3.15Å |
| 280 | K | 94.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | trans | -130.2 | 151.1 | 175.8 | 64.1 | 166 | 171.8 | 165.4 | 0 | 112.5 | C13 V208 G275 H278 I282 | C13-K280 VanDerWaalsContact SG-C 3.53Å; C13-K280 WeakPolarHBondContact SG-CA 3.31Å; V208-K280 PolarHBondContact O-NZ 2.89Å; G275-K280 CarbonylContact C-O 3.58Å; G275-K280 WeakPolarHBondContact CA-O 3.41Å; G275-K280 PolarHBondContact O-N 2.79Å; G275-K280 VanDerWaalsContact O-O 3.12Å; H278-K280 HydrophobicContact CB-CG 4.15Å; H278-K280 PolarHBondContact O-N 2.85Å; K280-I282 HydrophobicContact CD-CD1 3.74Å; K280-I282 HydrophobicContact CG-CD1 3.86Å | ||
| 281 | S | 95.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 46 Ų | 46 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -88.5 | 123.9 | 170.9 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | C13 R14 W16 | C13-S281 WeakPolarHBondContact CB-OG 3.47Å; C13-S281 PolarHBondContact O-OG 2.75Å; C13-S281 PolarHBondContact SG-N 2.78Å; C13-S281 VanDerWaalsContact SG-N 3.37Å; R14-S281 PolarHBondContact O-OG 3.05Å; W16-S281 PolarHBondContact NE1-O 3.19Å |
| 282 | I | 98.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 121.7 | 175.4 | -54.2 | -52.3 | 0 | 0 | 0 | 109.6 | L204 D209 F271 F274 K280 | L204-I282 HydrophobicContact CD2-CD1 3.84Å; L204-I282 HydrophobicContact CD2-CG1 4.29Å; L204-I282 HydrophobicContact CD2-CG2 3.84Å; D209-I282 WeakPolarHBondContact O-CA 3.5Å; F271-I282 HydrophobicContact CB-CB 3.91Å; F271-I282 HydrophobicContact CB-CG2 3.67Å; F271-I282 HydrophobicContact CD1-CG2 4.45Å; F271-I282 HydrophobicContact CD2-CG2 4.32Å; F271-I282 HydrophobicContact CG-CG2 3.89Å; F271-I282 VanDerWaalsContact O-CG1 3.29Å; F271-I282 WeakPolarHBondContact O-CG1 3.28Å; F274-I282 HydrophobicContact CD1-CD1 4.18Å; F274-I282 HydrophobicContact CD1-CG1 4.34Å; K280-I282 HydrophobicContact CD-CD1 3.74Å; K280-I282 HydrophobicContact CG-CD1 3.86Å |
| 283 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 143.8 | 179.3 | 175.2 | -95.8 | 0 | 0 | 0 | 111.7 | W16 W17 I22 V107 D209 G210 F211 M285 T304 F305 | W16-F283 HydrophobicContact CH2-CB 3.49Å; W16-F283 VanDerWaalsContact CH2-CB 3.49Å; W16-F283 HydrophobicContact CH2-CD1 4.15Å; W16-F283 HydrophobicContact CH2-CD2 4.14Å; W16-F283 AromaticContact CH2-CG 3.67Å; W16-F283 HydrophobicContact CH2-CG 3.67Å; W16-F283 HydrophobicContact CZ2-CB 3.22Å; W16-F283 AromaticContact CZ2-CG 3.95Å; W16-F283 HydrophobicContact CZ2-CG 3.95Å; W17-F283 HydrophobicContact CB-CD2 3.79Å; W17-F283 HydrophobicContact CB-CE2 3.97Å; W17-F283 AromaticContact CD2-CD2 3.9Å; W17-F283 HydrophobicContact CD2-CD2 3.9Å; W17-F283 HydrophobicContact CE3-CB 4.04Å; W17-F283 AromaticContact CE3-CD2 3.83Å; W17-F283 HydrophobicContact CE3-CD2 3.83Å; W17-F283 HydrophobicContact CE3-CG 4.44Å; W17-F283 AromaticContact CG-CD2 3.89Å; W17-F283 HydrophobicContact CG-CD2 3.89Å; W17-F283 HydrophobicContact CG-CE2 4.2Å; W17-F283 HydrophobicContact CZ3-CB 4.33Å; I22-F283 HydrophobicContact CD1-CD1 4.46Å; I22-F283 HydrophobicContact CD1-CE1 3.64Å; I22-F283 HydrophobicContact CD1-CE2 3.95Å; I22-F283 HydrophobicContact CD1-CZ 3.35Å; V107-F283 HydrophobicContact CG1-CD1 4.21Å; V107-F283 HydrophobicContact CG1-CE1 4.39Å; V107-F283 HydrophobicContact CG2-CD1 3.75Å; V107-F283 HydrophobicContact CG2-CE1 4.32Å; D209-F283 PolarHBondContact O-N 3.13Å; G210-F283 CarbonylContact C-O 3.5Å; G210-F283 WeakPolarHBondContact CA-O 3.4Å; F211-F283 PolarHBondContact N-O 3.46Å; F283-M285 HydrophobicContact CE1-CB 3.85Å; F283-M285 HydrophobicContact CE1-CE 4.28Å; F283-M285 HydrophobicContact CE1-CG 3.63Å; F283-M285 HydrophobicContact CE1-SD 3.65Å; F283-M285 HydrophobicContact CZ-CB 3.79Å; F283-M285 HydrophobicContact CZ-CG 3.98Å; F283-M285 HydrophobicContact CZ-SD 3.77Å; F283-T304 HydrophobicContact CD2-CG2 3.68Å; F283-T304 HydrophobicContact CE2-CG2 3.63Å; F283-F305 HydrophobicContact CE2-CD1 4.26Å; F283-F305 AromaticContact CE2-CE1 3.54Å; F283-F305 HydrophobicContact CE2-CE1 3.54Å; F283-F305 HydrophobicContact CE2-CE2 4.32Å; F283-F305 AromaticContact CE2-CZ 3.58Å; F283-F305 HydrophobicContact CE2-CZ 3.58Å; F283-F305 AromaticContact CZ-CE1 3.87Å; F283-F305 HydrophobicContact CZ-CE1 3.87Å; F283-F305 AromaticContact CZ-CE2 3.81Å; F283-F305 HydrophobicContact CZ-CE2 3.81Å; F283-F305 AromaticContact CZ-CZ 3.39Å; F283-F305 HydrophobicContact CZ-CZ 3.39Å |
| 284 | S | 98.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 128.8 | 172.8 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | F211 V303 T304 F305 | F211-S284 WeakPolarHBondContact O-CA 3.35Å; S284-V303 WeakPolarHBondContact OG-CA 3.31Å; S284-T304 PolarHBondContact N-OG1 3.44Å; S284-T304 WeakPolarHBondContact O-CA 3.42Å; S284-T304 WeakPolarHBondContact O-CB 3.42Å; S284-T304 PolarHBondContact O-N 3.09Å; S284-T304 PolarHBondContact O-OG1 2.65Å; S284-T304 PolarHBondContact OG-N 3.08Å; S284-F305 PolarHBondContact O-N 3.19Å |
| 285 | M | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.2 | 168 | 65.9 | -173 | 174.8 | 0 | 0 | 111.1 | I22 W60 V107 F211 R212 I213 F283 F305 L307 | I22-M285 HydrophobicContact CD1-SD 4.36Å; W60-M285 HydrophobicContact CB-CE 4.34Å; W60-M285 HydrophobicContact CD2-CE 3.48Å; W60-M285 VanDerWaalsContact CD2-CE 3.48Å; W60-M285 HydrophobicContact CE3-CE 3.36Å; W60-M285 HydrophobicContact CG-CE 3.91Å; W60-M285 HydrophobicContact CH2-CE 4.38Å; W60-M285 HydrophobicContact CZ3-CE 3.83Å; V107-M285 HydrophobicContact CG1-CE 4.42Å; F211-M285 PolarHBondContact O-N 3.29Å; R212-M285 CarbonylContact C-O 3.6Å; R212-M285 WeakPolarHBondContact CA-O 3.47Å; R212-M285 HydrophobicContact CB-CE 3.52Å; R212-M285 HydrophobicContact CB-CG 3.91Å; R212-M285 HydrophobicContact CG-CE 3.74Å; R212-M285 HydrophobicContact CG-CG 3.95Å; I213-M285 PolarHBondContact N-O 2.89Å; F283-M285 HydrophobicContact CE1-CB 3.85Å; F283-M285 HydrophobicContact CE1-CE 4.28Å; F283-M285 HydrophobicContact CE1-CG 3.63Å; F283-M285 HydrophobicContact CE1-SD 3.65Å; F283-M285 HydrophobicContact CZ-CB 3.79Å; F283-M285 HydrophobicContact CZ-CG 3.98Å; F283-M285 HydrophobicContact CZ-SD 3.77Å; M285-F305 WeakPolarHBondContact CA-O 3.45Å; M285-F305 HydrophobicContact CB-CD2 4.03Å; M285-F305 HydrophobicContact CB-CE2 3.92Å; M285-F305 VanDerWaalsContact CB-O 3.27Å; M285-F305 WeakPolarHBondContact CB-O 3.18Å; M285-F305 HydrophobicContact SD-CE2 3.98Å; M285-L307 HydrophobicContact CG-CG 4.4Å; M285-L307 HydrophobicContact SD-CD1 4.28Å; M285-L307 HydrophobicContact SD-CD2 3.76Å; M285-L307 HydrophobicContact SD-CG 4.07Å |
| 286 | T | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 148.9 | 175.8 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | I213 V216 V264 Y298 V303 P306 L307 | I213-T286 HydrophobicContact CB-CG2 4.21Å; I213-T286 HydrophobicContact CD1-CG2 4.2Å; V216-T286 HydrophobicContact CB-CG2 4.41Å; V216-T286 HydrophobicContact CG1-CG2 3.85Å; V216-T286 HydrophobicContact CG2-CG2 4.27Å; V264-T286 HydrophobicContact CG1-CG2 4.05Å; V264-T286 HydrophobicContact CG2-CG2 4.49Å; T286-Y298 HydrophobicContact CG2-CD1 3.96Å; T286-Y298 HydrophobicContact CG2-CE1 4.19Å; T286-V303 HydrophobicContact CG2-CG1 3.84Å; T286-P306 WeakPolarHBondContact OG1-CA 3.05Å; T286-P306 WeakPolarHBondContact OG1-CB 3.28Å; T286-L307 WeakPolarHBondContact O-CB 3.49Å; T286-L307 PolarHBondContact O-N 2.98Å |
| 287 | E | 97 | Very high | 96 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | trans | -116 | 127.2 | 172.4 | -176.3 | -87.6 | 143.9 | 0 | 0 | 111.7 | R212 I213 A215 V216 Y289 L307 F309 | R212-E287 IonicContact CZ-OE2 3.38Å; R212-E287 VanDerWaalsContact NH2-CB 3.3Å; R212-E287 IonicContact NH2-OE2 3.74Å; R212-E287 PolarHBondContact NH2-OE2 3.08Å; I213-E287 PolarHBondContact O-N 2.89Å; A215-E287 PolarHBondContact N-OE2 2.86Å; V216-E287 WeakPolarHBondContact CG1-O 3.47Å; V216-E287 PolarHBondContact N-O 2.81Å; E287-Y289 WeakPolarHBondContact OE1-CD2 3.4Å; E287-Y289 WeakPolarHBondContact OE1-CE2 3.43Å; E287-L307 HydrophobicContact CB-CD1 4.09Å; E287-L307 HydrophobicContact CG-CD1 4.34Å; E287-F309 HydrophobicContact CG-CE2 3.51Å; E287-F309 HydrophobicContact CG-CZ 3.45Å; E287-F309 VanDerWaalsContact CG-CZ 3.45Å | ||
| 288 | G | 92.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | trans | -157.1 | 117.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T290 | G288-T290 VanDerWaalsContact C-N 3.29Å; G288-T290 PolarHBondContact O-N 2.94Å; G288-T290 VanDerWaalsContact O-N 3.1Å | ||
| 289 | Y | 91.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 33 Ų | 33 | 30% | 0.302 | 17% | 0.168 | S | C | . | . | trans | -79.2 | 80.1 | 165.2 | -70.2 | -85.6 | 0 | 0 | 0 | 110 | E287 F309 N346 | E287-Y289 WeakPolarHBondContact OE1-CD2 3.4Å; E287-Y289 WeakPolarHBondContact OE1-CE2 3.43Å; Y289-F309 AromaticContact CD1-CD2 3.79Å; Y289-F309 HydrophobicContact CD1-CD2 3.79Å; Y289-F309 HydrophobicContact CD1-CE2 4.26Å; Y289-F309 HydrophobicContact CD1-CG 4.45Å; Y289-F309 HydrophobicContact CD2-CD2 4.37Å; Y289-F309 HydrophobicContact CD2-CE2 4.06Å; Y289-F309 HydrophobicContact CE1-CB 4.36Å; Y289-F309 AromaticContact CE1-CD2 3.7Å; Y289-F309 HydrophobicContact CE1-CD2 3.7Å; Y289-F309 HydrophobicContact CE1-CE2 4.02Å; Y289-F309 HydrophobicContact CE1-CG 4.07Å; Y289-F309 HydrophobicContact CE2-CD2 4.29Å; Y289-F309 AromaticContact CE2-CE2 3.81Å; Y289-F309 HydrophobicContact CE2-CE2 3.81Å; Y289-F309 HydrophobicContact CE2-CZ 4.35Å; Y289-F309 HydrophobicContact CG-CD2 4.15Å; Y289-F309 HydrophobicContact CG-CE2 4.28Å; Y289-F309 AromaticContact CZ-CD2 3.97Å; Y289-F309 AromaticContact CZ-CE2 3.79Å; Y289-N346 PolarHBondContact OH-ND2 2.65Å | ||
| 290 | T | 94.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -134.8 | -178.3 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | I217 H242 D256 G288 H294 V295 | I217-T290 HydrophobicContact CG2-CG2 4.04Å; H242-T290 PolarHBondContact NE2-OG1 3.28Å; D256-T290 WeakPolarHBondContact OD2-CB 3.49Å; D256-T290 PolarHBondContact OD2-OG1 2.95Å; G288-T290 VanDerWaalsContact C-N 3.29Å; G288-T290 PolarHBondContact O-N 2.94Å; G288-T290 VanDerWaalsContact O-N 3.1Å; T290-H294 HydrophobicContact CG2-CB 3.6Å; T290-V295 HydrophobicContact CG2-CG2 3.75Å |
| 291 | D | 93.7 | Very high | 96.3 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 23% | 0.225 | 15% | 0.151 | C | C | . | . | trans | -68.2 | 167.7 | 176.2 | 70.5 | 17.2 | 0 | 0 | 0 | 113 | T241 E293 H294 V295 | T241-D291 HydrophobicContact CG2-CB 3.77Å; D291-E293 PolarHBondContact O-N 3.41Å; D291-E293 PolarHBondContact OD1-N 3.36Å; D291-E293 VanDerWaalsContact OD1-N 3.15Å; D291-H294 VanDerWaalsContact CG-ND1 3.33Å; D291-H294 PolarHBondContact O-N 3.01Å; D291-H294 IonicContact OD1-CE1 3.66Å; D291-H294 IonicContact OD1-CG 3.52Å; D291-H294 PolarHBondContact OD1-N 3.09Å; D291-H294 IonicContact OD1-ND1 2.94Å; D291-H294 PolarHBondContact OD1-ND1 3.18Å; D291-H294 IonicContact OD2-CE1 3.92Å; D291-H294 IonicContact OD2-ND1 2.98Å; D291-H294 PolarHBondContact OD2-ND1 2.78Å; D291-V295 VanDerWaalsContact O-CG2 3.27Å; D291-V295 WeakPolarHBondContact O-CG2 3.31Å; D291-V295 PolarHBondContact O-N 3.38Å; D291-V295 VanDerWaalsContact O-N 3.08Å | ||
| 292 | L | 94.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 24% | 0.236 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -23.7 | -177.6 | -177.8 | 56.1 | 0 | 0 | 0 | 112.7 | I296 N329 W330 K333 | L292-I296 HydrophobicContact CD1-CD1 4.2Å; L292-I296 HydrophobicContact CD1-CG1 3.81Å; L292-I296 HydrophobicContact CG-CG1 4.22Å; L292-I296 WeakPolarHBondContact O-CB 3.41Å; L292-I296 WeakPolarHBondContact O-CG1 3.33Å; L292-I296 PolarHBondContact O-N 3.1Å; L292-I296 VanDerWaalsContact O-N 3.14Å; L292-N329 HydrophobicContact CD2-CB 4.08Å; L292-W330 HydrophobicContact CD1-CE3 3.54Å; L292-W330 HydrophobicContact CD1-CZ3 3.81Å; L292-K333 HydrophobicContact CD2-CD 3.63Å; L292-K333 HydrophobicContact CG-CD 3.77Å |
| 293 | E | 94.8 | Very high | 96.3 | Very high | 115 Ų | 115 | 30.8 Ų | 30.8 | 54% | 0.537 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72 | -52.1 | 179.5 | -82.2 | 141 | -145.1 | 0 | 0 | 110.6 | D291 V295 I296 D297 K333 | D291-E293 PolarHBondContact O-N 3.41Å; D291-E293 PolarHBondContact OD1-N 3.36Å; D291-E293 VanDerWaalsContact OD1-N 3.15Å; E293-V295 VanDerWaalsContact C-N 3.32Å; E293-V295 PolarHBondContact O-N 2.96Å; E293-I296 PolarHBondContact O-N 3.46Å; E293-I296 VanDerWaalsContact O-N 3.1Å; E293-D297 PolarHBondContact O-N 3.07Å; E293-D297 VanDerWaalsContact O-N 3.11Å; E293-K333 IonicContact OE1-NZ 2.71Å; E293-K333 PolarHBondContact OE1-NZ 3.04Å |
| 294 | H | 96 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 25% | 0.25 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -37 | 177.3 | -65.1 | 92.1 | 0 | 0 | 0 | 112.2 | D256 Y261 T290 D291 I296 D297 Y298 | D256-H294 IonicContact OD2-CD2 3.47Å; D256-H294 IonicContact OD2-CG 3.9Å; Y261-H294 WeakPolarHBondContact OH-CA 3.17Å; Y261-H294 PolarHBondContact OH-CD2 2.76Å; Y261-H294 PolarHBondContact OH-O 3.4Å; T290-H294 HydrophobicContact CG2-CB 3.6Å; D291-H294 VanDerWaalsContact CG-ND1 3.33Å; D291-H294 PolarHBondContact O-N 3.01Å; D291-H294 IonicContact OD1-CE1 3.66Å; D291-H294 IonicContact OD1-CG 3.52Å; D291-H294 PolarHBondContact OD1-N 3.09Å; D291-H294 IonicContact OD1-ND1 2.94Å; D291-H294 PolarHBondContact OD1-ND1 3.18Å; D291-H294 IonicContact OD2-CE1 3.92Å; D291-H294 IonicContact OD2-ND1 2.98Å; D291-H294 PolarHBondContact OD2-ND1 2.78Å; H294-I296 VanDerWaalsContact C-N 3.33Å; H294-I296 PolarHBondContact O-N 2.73Å; H294-D297 PolarHBondContact O-N 2.69Å; H294-Y298 WeakPolarHBondContact O-CD2 3.31Å |
| 295 | V | 97.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 173.2 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | T290 D291 E293 D297 Y298 P306 W330 | T290-V295 HydrophobicContact CG2-CG2 3.75Å; D291-V295 VanDerWaalsContact O-CG2 3.27Å; D291-V295 WeakPolarHBondContact O-CG2 3.31Å; D291-V295 PolarHBondContact O-N 3.38Å; D291-V295 VanDerWaalsContact O-N 3.08Å; E293-V295 VanDerWaalsContact C-N 3.32Å; E293-V295 PolarHBondContact O-N 2.96Å; V295-D297 VanDerWaalsContact C-N 3.32Å; V295-D297 PolarHBondContact O-N 2.84Å; V295-Y298 PolarHBondContact O-N 3.07Å; V295-P306 HydrophobicContact CG1-CB 3.92Å; V295-P306 HydrophobicContact CG1-CG 3.91Å; V295-P306 WeakPolarHBondContact O-CB 3.43Å; V295-P306 WeakPolarHBondContact O-CG 3.35Å; V295-W330 HydrophobicContact CG1-CH2 4.13Å; V295-W330 HydrophobicContact CG1-CZ3 3.81Å |
| 296 | I | 97.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -33.7 | -177.1 | -70.8 | -75.8 | 0 | 0 | 0 | 111.9 | L292 E293 H294 Y298 Y299 W330 K333 K334 | L292-I296 HydrophobicContact CD1-CD1 4.2Å; L292-I296 HydrophobicContact CD1-CG1 3.81Å; L292-I296 HydrophobicContact CG-CG1 4.22Å; L292-I296 WeakPolarHBondContact O-CB 3.41Å; L292-I296 WeakPolarHBondContact O-CG1 3.33Å; L292-I296 PolarHBondContact O-N 3.1Å; L292-I296 VanDerWaalsContact O-N 3.14Å; E293-I296 PolarHBondContact O-N 3.46Å; E293-I296 VanDerWaalsContact O-N 3.1Å; H294-I296 VanDerWaalsContact C-N 3.33Å; H294-I296 PolarHBondContact O-N 2.73Å; I296-Y298 PolarHBondContact O-N 3.31Å; I296-Y299 HydrophobicContact CD1-CD2 4.37Å; I296-Y299 HydrophobicContact CD1-CE2 4.14Å; I296-Y299 WeakPolarHBondContact O-CB 3.41Å; I296-Y299 WeakPolarHBondContact O-CD2 3.26Å; I296-Y299 PolarHBondContact O-N 2.92Å; I296-W330 HydrophobicContact CD1-CE3 4.4Å; I296-W330 HydrophobicContact CD1-CH2 4.48Å; I296-W330 HydrophobicContact CD1-CZ3 4.2Å; I296-K333 HydrophobicContact CD1-CB 4.17Å; I296-K333 HydrophobicContact CG1-CB 4.12Å; I296-K334 HydrophobicContact CD1-CB 4.2Å |
| 297 | D | 97.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 35% | 0.348 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.6 | -25.2 | -180 | -79.8 | -23 | 0 | 0 | 0 | 113.7 | Y261 E293 H294 V295 Y299 N300 | Y261-D297 HydrophobicContact CD1-CB 4.19Å; Y261-D297 HydrophobicContact CE1-CB 3.61Å; Y261-D297 HydrophobicContact CE2-CB 4.36Å; E293-D297 PolarHBondContact O-N 3.07Å; E293-D297 VanDerWaalsContact O-N 3.11Å; H294-D297 PolarHBondContact O-N 2.69Å; V295-D297 VanDerWaalsContact C-N 3.32Å; V295-D297 PolarHBondContact O-N 2.84Å; D297-Y299 PolarHBondContact O-N 2.57Å; D297-Y299 VanDerWaalsContact O-N 3.13Å; D297-N300 WeakPolarHBondContact O-CB 3.44Å; D297-N300 PolarHBondContact O-N 2.93Å; D297-N300 PolarHBondContact O-ND2 2.9Å |
| 298 | Y | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -60.2 | -23.5 | 173.4 | -79 | -72.1 | 0 | 0 | 0 | 113.8 | V216 I217 T260 Y261 V264 T286 H294 V295 I296 N300 S301 V303 P306 | V216-Y298 HydrophobicContact CG1-CE1 3.86Å; V216-Y298 HydrophobicContact CG1-CE2 4.23Å; V216-Y298 VanDerWaalsContact CG1-OH 3.24Å; V216-Y298 WeakPolarHBondContact CG1-OH 3.4Å; V216-Y298 HydrophobicContact CG2-CE1 4.06Å; I217-Y298 HydrophobicContact CG2-CE2 4.29Å; T260-Y298 HydrophobicContact CG2-CE1 4.03Å; T260-Y298 WeakPolarHBondContact CG2-OH 3.1Å; Y261-Y298 AromaticContact CD1-CD1 3.9Å; Y261-Y298 HydrophobicContact CD1-CD1 3.9Å; Y261-Y298 AromaticContact CD1-CE1 3.99Å; Y261-Y298 HydrophobicContact CD1-CE1 3.99Å; Y261-Y298 HydrophobicContact CD1-CG 4.21Å; Y261-Y298 HydrophobicContact CE1-CD1 4.09Å; Y261-Y298 AromaticContact CE1-CD2 3.96Å; Y261-Y298 HydrophobicContact CE1-CD2 3.96Å; Y261-Y298 HydrophobicContact CE1-CE1 4.05Å; Y261-Y298 AromaticContact CE1-CE2 3.95Å; Y261-Y298 HydrophobicContact CE1-CE2 3.95Å; Y261-Y298 HydrophobicContact CE1-CG 4.04Å; Y261-Y298 AromaticContact CE1-CZ 3.99Å; V264-Y298 HydrophobicContact CG1-CD1 4.41Å; V264-Y298 HydrophobicContact CG2-CD1 4.34Å; V264-Y298 HydrophobicContact CG2-CE1 3.92Å; T286-Y298 HydrophobicContact CG2-CD1 3.96Å; T286-Y298 HydrophobicContact CG2-CE1 4.19Å; H294-Y298 WeakPolarHBondContact O-CD2 3.31Å; V295-Y298 PolarHBondContact O-N 3.07Å; I296-Y298 PolarHBondContact O-N 3.31Å; Y298-N300 PolarHBondContact O-N 2.87Å; Y298-S301 WeakPolarHBondContact O-CA 3.47Å; Y298-S301 WeakPolarHBondContact O-CB 3.41Å; Y298-S301 PolarHBondContact O-N 2.95Å; Y298-V303 WeakPolarHBondContact O-CG2 3.49Å; Y298-P306 HydrophobicContact CD2-CB 4.37Å; Y298-P306 HydrophobicContact CG-CB 4.39Å |
| 299 | Y | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -62 | -23.1 | 172.1 | -77.6 | -66.4 | 0 | 0 | 0 | 113.2 | I296 D297 S301 D302 F305 P306 W330 K334 P335 K338 W339 | I296-Y299 HydrophobicContact CD1-CD2 4.37Å; I296-Y299 HydrophobicContact CD1-CE2 4.14Å; I296-Y299 WeakPolarHBondContact O-CB 3.41Å; I296-Y299 WeakPolarHBondContact O-CD2 3.26Å; I296-Y299 PolarHBondContact O-N 2.92Å; D297-Y299 PolarHBondContact O-N 2.57Å; D297-Y299 VanDerWaalsContact O-N 3.13Å; Y299-S301 VanDerWaalsContact C-N 3.27Å; Y299-D302 PolarHBondContact O-N 2.99Å; Y299-F305 HydrophobicContact CE1-CB 3.97Å; Y299-P306 HydrophobicContact CD2-CG 4.1Å; Y299-P306 HydrophobicContact CE2-CG 3.88Å; Y299-P306 VanDerWaalsContact CZ-CD 3.44Å; Y299-W330 HydrophobicContact CE2-CH2 4.34Å; Y299-W330 HydrophobicContact CE2-CZ2 4.25Å; Y299-W330 WeakPolarHBondContact OH-CZ2 3.4Å; Y299-K334 HydrophobicContact CD2-CG 4.48Å; Y299-K334 HydrophobicContact CE2-CB 4.49Å; Y299-K334 HydrophobicContact CE2-CD 4.45Å; Y299-K334 HydrophobicContact CE2-CG 3.75Å; Y299-P335 HydrophobicContact CD2-CG 4.31Å; Y299-P335 HydrophobicContact CG-CG 4.36Å; Y299-K338 HydrophobicContact CD1-CB 3.66Å; Y299-K338 HydrophobicContact CD1-CD 3.84Å; Y299-K338 HydrophobicContact CD1-CG 3.83Å; Y299-K338 HydrophobicContact CE1-CB 3.65Å; Y299-K338 HydrophobicContact CE1-CG 4.35Å; Y299-K338 HydrophobicContact CG-CB 4.2Å; Y299-K338 HydrophobicContact CG-CD 4.43Å; Y299-K338 HydrophobicContact CG-CG 4.15Å; Y299-K338 PolarHBondContact O-NZ 2.69Å; Y299-W339 PolarHBondContact OH-O 2.88Å |
| 300 | N | 96.2 | Very high | 96.5 | Very high | 101 Ų | 101 | 30.5 Ų | 30.5 | 54% | 0.54 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -74.6 | -19.2 | 173.9 | -57.8 | -40 | 0 | 0 | 0 | 112.3 | D297 Y298 D302 | D297-N300 WeakPolarHBondContact O-CB 3.44Å; D297-N300 PolarHBondContact O-N 2.93Å; D297-N300 PolarHBondContact O-ND2 2.9Å; Y298-N300 PolarHBondContact O-N 2.87Å; N300-D302 VanDerWaalsContact C-N 3.26Å |
| 301 | S | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -85.8 | 8.8 | 170.8 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | Y261 T268 Y298 Y299 V303 | Y261-S301 VanDerWaalsContact CA-OG 3.32Å; Y261-S301 WeakPolarHBondContact CA-OG 3.45Å; Y261-S301 WeakPolarHBondContact CB-OG 3.22Å; Y261-S301 WeakPolarHBondContact O-CB 3.36Å; Y261-S301 PolarHBondContact O-OG 3.37Å; T268-S301 WeakPolarHBondContact CB-O 3.43Å; T268-S301 VanDerWaalsContact CG2-O 3.3Å; T268-S301 WeakPolarHBondContact CG2-O 3.48Å; T268-S301 PolarHBondContact OG1-O 2.78Å; Y298-S301 WeakPolarHBondContact O-CA 3.47Å; Y298-S301 WeakPolarHBondContact O-CB 3.41Å; Y298-S301 PolarHBondContact O-N 2.95Å; Y299-S301 VanDerWaalsContact C-N 3.27Å; S301-V303 PolarHBondContact O-N 3.17Å |
| 302 | D | 96.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 27.7 Ų | 27.7 | 33% | 0.326 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 25 | 179.1 | -72.3 | -30.4 | 0 | 0 | 0 | 115.9 | R272 Y299 N300 K338 | R272-D302 IonicContact CZ-OD2 3.82Å; R272-D302 VanDerWaalsContact NH2-CG 3.34Å; R272-D302 IonicContact NH2-OD2 2.84Å; R272-D302 PolarHBondContact NH2-OD2 3.05Å; Y299-D302 PolarHBondContact O-N 2.99Å; N300-D302 VanDerWaalsContact C-N 3.26Å; D302-K338 IonicContact OD1-NZ 2.7Å; D302-K338 PolarHBondContact OD1-NZ 2.93Å |
| 303 | V | 98.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | trans | -61.8 | 153.1 | 167.1 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | V264 T268 S284 T286 Y298 S301 F305 | V264-V303 HydrophobicContact CG1-CG1 3.47Å; V264-V303 VanDerWaalsContact CG1-CG1 3.47Å; T268-V303 HydrophobicContact CG2-CB 4.45Å; T268-V303 HydrophobicContact CG2-CG1 3.82Å; S284-V303 WeakPolarHBondContact OG-CA 3.31Å; T286-V303 HydrophobicContact CG2-CG1 3.84Å; Y298-V303 WeakPolarHBondContact O-CG2 3.49Å; S301-V303 PolarHBondContact O-N 3.17Å; V303-F305 VanDerWaalsContact C-N 3.3Å; V303-F305 PolarHBondContact O-N 3.04Å | ||
| 304 | T | 97.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -58.1 | -48.6 | 174 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | W17 F283 S284 | W17-T304 HydrophobicContact CD2-CG2 3.75Å; W17-T304 HydrophobicContact CG-CG2 3.88Å; W17-T304 HydrophobicContact CZ2-CG2 3.88Å; W17-T304 VanDerWaalsContact NE1-CG2 3.28Å; F283-T304 HydrophobicContact CD2-CG2 3.68Å; F283-T304 HydrophobicContact CE2-CG2 3.63Å; S284-T304 PolarHBondContact N-OG1 3.44Å; S284-T304 WeakPolarHBondContact O-CA 3.42Å; S284-T304 WeakPolarHBondContact O-CB 3.42Å; S284-T304 PolarHBondContact O-N 3.09Å; S284-T304 PolarHBondContact O-OG1 2.65Å; S284-T304 PolarHBondContact OG-N 3.08Å |
| 305 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 150.7 | 163 | 49.1 | -106.5 | 0 | 0 | 0 | 111.1 | I22 F283 S284 M285 Y299 V303 L307 W339 N341 T375 I377 | I22-F305 HydrophobicContact CD1-CZ 4.18Å; F283-F305 HydrophobicContact CE2-CD1 4.26Å; F283-F305 AromaticContact CE2-CE1 3.54Å; F283-F305 HydrophobicContact CE2-CE1 3.54Å; F283-F305 HydrophobicContact CE2-CE2 4.32Å; F283-F305 AromaticContact CE2-CZ 3.58Å; F283-F305 HydrophobicContact CE2-CZ 3.58Å; F283-F305 AromaticContact CZ-CE1 3.87Å; F283-F305 HydrophobicContact CZ-CE1 3.87Å; F283-F305 AromaticContact CZ-CE2 3.81Å; F283-F305 HydrophobicContact CZ-CE2 3.81Å; F283-F305 AromaticContact CZ-CZ 3.39Å; F283-F305 HydrophobicContact CZ-CZ 3.39Å; S284-F305 PolarHBondContact O-N 3.19Å; M285-F305 WeakPolarHBondContact CA-O 3.45Å; M285-F305 HydrophobicContact CB-CD2 4.03Å; M285-F305 HydrophobicContact CB-CE2 3.92Å; M285-F305 VanDerWaalsContact CB-O 3.27Å; M285-F305 WeakPolarHBondContact CB-O 3.18Å; M285-F305 HydrophobicContact SD-CE2 3.98Å; Y299-F305 HydrophobicContact CE1-CB 3.97Å; V303-F305 VanDerWaalsContact C-N 3.3Å; V303-F305 PolarHBondContact O-N 3.04Å; F305-L307 HydrophobicContact CE2-CD2 4.36Å; F305-W339 WeakPolarHBondContact CB-O 3.36Å; F305-W339 AromaticContact CD1-CD1 3.93Å; F305-N341 HydrophobicContact CD1-CB 4.15Å; F305-N341 HydrophobicContact CD2-CB 3.57Å; F305-N341 WeakPolarHBondContact CD2-ND2 3.45Å; F305-N341 HydrophobicContact CE1-CB 4.09Å; F305-N341 HydrophobicContact CE2-CB 3.51Å; F305-N341 HydrophobicContact CG-CB 3.9Å; F305-N341 WeakPolarHBondContact CG-ND2 3.38Å; F305-N341 HydrophobicContact CZ-CB 3.77Å; F305-T375 HydrophobicContact CE1-CG2 4.18Å; F305-T375 HydrophobicContact CZ-CG2 4.02Å; F305-I377 HydrophobicContact CE2-CD1 4.24Å; F305-I377 HydrophobicContact CZ-CD1 4.1Å |
| 306 | P | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.5 | 164.3 | 32.3 | -29.5 | 0 | 0 | 0 | 110 | T286 V295 Y298 Y299 N308 W330 N341 | T286-P306 WeakPolarHBondContact OG1-CA 3.05Å; T286-P306 WeakPolarHBondContact OG1-CB 3.28Å; V295-P306 HydrophobicContact CG1-CB 3.92Å; V295-P306 HydrophobicContact CG1-CG 3.91Å; V295-P306 WeakPolarHBondContact O-CB 3.43Å; V295-P306 WeakPolarHBondContact O-CG 3.35Å; Y298-P306 HydrophobicContact CD2-CB 4.37Å; Y298-P306 HydrophobicContact CG-CB 4.39Å; Y299-P306 HydrophobicContact CD2-CG 4.1Å; Y299-P306 HydrophobicContact CE2-CG 3.88Å; Y299-P306 VanDerWaalsContact CZ-CD 3.44Å; P306-N308 PolarHBondContact O-N 3.17Å; P306-W330 HydrophobicContact CG-CH2 4.32Å; P306-N341 PolarHBondContact O-ND2 2.63Å |
| 307 | L | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | -61.7 | 128.3 | -178.8 | -78.4 | 169.8 | 0 | 0 | 0 | 111.2 | W60 R212 M285 T286 E287 F305 F309 V343 I377 | W60-L307 HydrophobicContact CH2-CD1 4.27Å; W60-L307 HydrophobicContact CZ3-CD1 4.42Å; R212-L307 HydrophobicContact CG-CD1 4.29Å; M285-L307 HydrophobicContact CG-CG 4.4Å; M285-L307 HydrophobicContact SD-CD1 4.28Å; M285-L307 HydrophobicContact SD-CD2 3.76Å; M285-L307 HydrophobicContact SD-CG 4.07Å; T286-L307 WeakPolarHBondContact O-CB 3.49Å; T286-L307 PolarHBondContact O-N 2.98Å; E287-L307 HydrophobicContact CB-CD1 4.09Å; E287-L307 HydrophobicContact CG-CD1 4.34Å; F305-L307 HydrophobicContact CE2-CD2 4.36Å; L307-F309 HydrophobicContact CB-CD1 4.46Å; L307-F309 HydrophobicContact CB-CE1 3.98Å; L307-F309 HydrophobicContact CB-CE2 4.47Å; L307-F309 HydrophobicContact CB-CZ 4Å; L307-F309 HydrophobicContact CD1-CE1 4.14Å; L307-F309 HydrophobicContact CD1-CZ 3.96Å; L307-F309 PolarHBondContact O-N 3.49Å; L307-V343 HydrophobicContact CD2-CG2 3.65Å; L307-I377 HydrophobicContact CD2-CD1 4.42Å; L307-I377 HydrophobicContact CD2-CG1 3.89Å | ||
| 308 | N | 96.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | trans | -92.1 | 98.5 | 177.4 | 179.6 | 9 | 0 | 0 | 0 | 110.5 | P306 S310 W330 N341 W342 | P306-N308 PolarHBondContact O-N 3.17Å; N308-S310 VanDerWaalsContact C-N 3.32Å; N308-S310 VanDerWaalsContact CG-OG 3.3Å; N308-S310 PolarHBondContact ND2-OG 3.3Å; N308-S310 PolarHBondContact O-N 2.65Å; N308-S310 WeakPolarHBondContact OD1-CB 3.37Å; N308-S310 PolarHBondContact OD1-N 2.97Å; N308-S310 VanDerWaalsContact OD1-N 3.09Å; N308-S310 PolarHBondContact OD1-OG 3.41Å; N308-W330 HydrophobicContact CB-CD2 4.12Å; N308-W330 HydrophobicContact CB-CE3 3.8Å; N308-W330 HydrophobicContact CB-CH2 3.65Å; N308-W330 HydrophobicContact CB-CZ2 3.95Å; N308-W330 HydrophobicContact CB-CZ3 3.57Å; N308-W330 VanDerWaalsContact ND2-CD2 3.28Å; N308-N341 PolarHBondContact N-OD1 2.94Å; N308-W342 WeakPolarHBondContact ND2-CZ3 3.26Å | ||
| 309 | F | 95.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -86.4 | 6.4 | 178.1 | -63.7 | -42.4 | 0 | 0 | 0 | 115.3 | E287 Y289 L307 L311 V312 V343 | E287-F309 HydrophobicContact CG-CE2 3.51Å; E287-F309 HydrophobicContact CG-CZ 3.45Å; E287-F309 VanDerWaalsContact CG-CZ 3.45Å; Y289-F309 AromaticContact CD1-CD2 3.79Å; Y289-F309 HydrophobicContact CD1-CD2 3.79Å; Y289-F309 HydrophobicContact CD1-CE2 4.26Å; Y289-F309 HydrophobicContact CD1-CG 4.45Å; Y289-F309 HydrophobicContact CD2-CD2 4.37Å; Y289-F309 HydrophobicContact CD2-CE2 4.06Å; Y289-F309 HydrophobicContact CE1-CB 4.36Å; Y289-F309 AromaticContact CE1-CD2 3.7Å; Y289-F309 HydrophobicContact CE1-CD2 3.7Å; Y289-F309 HydrophobicContact CE1-CE2 4.02Å; Y289-F309 HydrophobicContact CE1-CG 4.07Å; Y289-F309 HydrophobicContact CE2-CD2 4.29Å; Y289-F309 AromaticContact CE2-CE2 3.81Å; Y289-F309 HydrophobicContact CE2-CE2 3.81Å; Y289-F309 HydrophobicContact CE2-CZ 4.35Å; Y289-F309 HydrophobicContact CG-CD2 4.15Å; Y289-F309 HydrophobicContact CG-CE2 4.28Å; Y289-F309 AromaticContact CZ-CD2 3.97Å; Y289-F309 AromaticContact CZ-CE2 3.79Å; L307-F309 HydrophobicContact CB-CD1 4.46Å; L307-F309 HydrophobicContact CB-CE1 3.98Å; L307-F309 HydrophobicContact CB-CE2 4.47Å; L307-F309 HydrophobicContact CB-CZ 4Å; L307-F309 HydrophobicContact CD1-CE1 4.14Å; L307-F309 HydrophobicContact CD1-CZ 3.96Å; L307-F309 PolarHBondContact O-N 3.49Å; F309-L311 PolarHBondContact O-N 2.86Å; F309-L311 VanDerWaalsContact O-N 3.12Å; F309-V312 HydrophobicContact CB-CB 4.31Å; F309-V312 HydrophobicContact CB-CG2 4.08Å; F309-V312 HydrophobicContact CD1-CG2 3.69Å; F309-V312 HydrophobicContact CG-CG2 4.29Å; F309-V312 WeakPolarHBondContact O-CB 3.3Å; F309-V312 PolarHBondContact O-N 2.81Å; F309-V343 HydrophobicContact CD1-CB 4.17Å; F309-V343 HydrophobicContact CD1-CG1 4.22Å; F309-V343 HydrophobicContact CD1-CG2 4.27Å; F309-V343 HydrophobicContact CE1-CG1 4.23Å; F309-V343 HydrophobicContact CE1-CG2 4.37Å |
| 310 | S | 93.8 | Very high | 95.4 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 26% | 0.259 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -53.6 | -37.4 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | N308 L326 | N308-S310 VanDerWaalsContact C-N 3.32Å; N308-S310 VanDerWaalsContact CG-OG 3.3Å; N308-S310 PolarHBondContact ND2-OG 3.3Å; N308-S310 PolarHBondContact O-N 2.65Å; N308-S310 WeakPolarHBondContact OD1-CB 3.37Å; N308-S310 PolarHBondContact OD1-N 2.97Å; N308-S310 VanDerWaalsContact OD1-N 3.09Å; N308-S310 PolarHBondContact OD1-OG 3.41Å; S310-L326 WeakPolarHBondContact O-CD1 3.32Å |
| 311 | L | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -86.6 | -8.2 | 178.8 | -62.2 | -177.7 | 0 | 0 | 0 | 114 | F309 G313 W314 L323 L326 W342 V343 V344 L368 L372 | F309-L311 PolarHBondContact O-N 2.86Å; F309-L311 VanDerWaalsContact O-N 3.12Å; L311-G313 VanDerWaalsContact C-N 3.27Å; L311-G313 PolarHBondContact O-N 2.8Å; L311-W314 WeakPolarHBondContact O-CB 3.49Å; L311-W314 PolarHBondContact O-N 2.95Å; L311-W314 VanDerWaalsContact O-N 3.15Å; L311-L323 HydrophobicContact CD2-CD2 3.97Å; L311-L326 HydrophobicContact CD2-CB 4.34Å; L311-L326 HydrophobicContact CD2-CD1 4.02Å; L311-W342 HydrophobicContact CD1-CD2 4.44Å; L311-W342 HydrophobicContact CD1-CE3 3.61Å; L311-W342 HydrophobicContact CD1-CZ3 4.26Å; L311-W342 HydrophobicContact CG-CE3 4.18Å; L311-V343 CarbonylContact C-O 3.53Å; L311-V343 WeakPolarHBondContact CB-O 3.41Å; L311-V344 HydrophobicContact CB-CG1 4.13Å; L311-V344 HydrophobicContact CD1-CG1 4.38Å; L311-L368 HydrophobicContact CD1-CD2 4.38Å; L311-L372 HydrophobicContact CD1-CD1 4.2Å |
| 312 | V | 94.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -30.6 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | F309 W314 V343 Q349 R355 | F309-V312 HydrophobicContact CB-CB 4.31Å; F309-V312 HydrophobicContact CB-CG2 4.08Å; F309-V312 HydrophobicContact CD1-CG2 3.69Å; F309-V312 HydrophobicContact CG-CG2 4.29Å; F309-V312 WeakPolarHBondContact O-CB 3.3Å; F309-V312 PolarHBondContact O-N 2.81Å; V312-W314 PolarHBondContact O-N 2.77Å; V312-V343 HydrophobicContact CG2-CB 3.99Å; V312-V343 HydrophobicContact CG2-CG1 3.83Å; V312-V343 WeakPolarHBondContact CG2-O 3.44Å; V312-V343 PolarHBondContact N-O 3.26Å; V312-Q349 HydrophobicContact CG1-CB 3.85Å; V312-Q349 HydrophobicContact CG1-CG 3.59Å; V312-R355 PolarHBondContact O-NE 2.89Å; V312-R355 PolarHBondContact O-NH1 2.94Å |
| 313 | G | 90.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 38 Ų | 38 | 58% | 0.577 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | 1.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L311 K315 | L311-G313 VanDerWaalsContact C-N 3.27Å; L311-G313 PolarHBondContact O-N 2.8Å; G313-K315 PolarHBondContact O-N 3.4Å |
| 314 | W | 94.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | trans | -66.6 | 122.1 | -178.1 | -178.7 | 16 | 0 | 0 | 0 | 111.6 | L311 V312 L323 I352 R355 L356 V364 A365 L368 L516 | L311-W314 WeakPolarHBondContact O-CB 3.49Å; L311-W314 PolarHBondContact O-N 2.95Å; L311-W314 VanDerWaalsContact O-N 3.15Å; V312-W314 PolarHBondContact O-N 2.77Å; W314-L323 HydrophobicContact CB-CD2 4.3Å; W314-L323 HydrophobicContact CD2-CD1 4.26Å; W314-L323 HydrophobicContact CD2-CD2 3.97Å; W314-L323 HydrophobicContact CG-CD2 3.8Å; W314-L323 HydrophobicContact CH2-CD1 4.48Å; W314-L323 HydrophobicContact CZ2-CD1 3.83Å; W314-I352 HydrophobicContact CB-CD1 4.44Å; W314-I352 HydrophobicContact CD2-CD1 4.47Å; W314-I352 HydrophobicContact CE3-CD1 4.22Å; W314-R355 WeakPolarHBondContact O-CB 3.41Å; W314-R355 WeakPolarHBondContact O-CD 3.45Å; W314-R355 PolarHBondContact O-NE 3.42Å; W314-L356 HydrophobicContact CD2-CD2 4.06Å; W314-L356 HydrophobicContact CG-CD2 4.02Å; W314-L356 HydrophobicContact CH2-CD1 4.43Å; W314-L356 HydrophobicContact CZ2-CD1 4.19Å; W314-L356 HydrophobicContact CZ2-CD2 4.38Å; W314-V364 HydrophobicContact CH2-CG1 4.25Å; W314-A365 HydrophobicContact CH2-CB 4.19Å; W314-A365 HydrophobicContact CZ3-CB 3.88Å; W314-L368 HydrophobicContact CE3-CD2 4.31Å; W314-L368 HydrophobicContact CH2-CD2 3.94Å; W314-L368 HydrophobicContact CZ3-CB 4.44Å; W314-L368 HydrophobicContact CZ3-CD2 3.64Å; W314-L516 HydrophobicContact CH2-CD2 4.49Å; W314-L516 HydrophobicContact CZ2-CD2 3.66Å; W314-L516 HydrophobicContact CZ2-CG 4.39Å | ||
| 315 | K | 93.8 | Very high | 95.3 | Very high | 108 Ų | 108 | 45.1 Ų | 45.1 | 47% | 0.47 | 24% | 0.244 | S | C | . | . | trans | -131.1 | 171.3 | 179.8 | 59.5 | -176.3 | -174.7 | 179.8 | 0 | 111.9 | G313 E317 T318 R355 | G313-K315 PolarHBondContact O-N 3.4Å; K315-E317 WeakPolarHBondContact CD-OE2 3.09Å; K315-E317 VanDerWaalsContact CG-OE2 3.24Å; K315-E317 WeakPolarHBondContact CG-OE2 3.35Å; K315-E317 PolarHBondContact O-N 3.34Å; K315-E317 VanDerWaalsContact O-N 3.16Å; K315-T318 WeakPolarHBondContact CG-OG1 3.48Å; K315-T318 PolarHBondContact N-OG1 2.93Å; K315-T318 VanDerWaalsContact N-OG1 3.16Å; K315-T318 VanDerWaalsContact O-CB 3.31Å; K315-T318 WeakPolarHBondContact O-CB 3.39Å; K315-T318 PolarHBondContact O-N 3.19Å; K315-T318 PolarHBondContact O-OG1 3Å; K315-R355 WeakPolarHBondContact CA-O 3.14Å; K315-R355 HydrophobicContact CB-CB 4.49Å | ||
| 316 | A | 91.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R355 | A316-R355 PolarHBondContact N-O 3.06Š|
| 317 | E | 91.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 47.8 Ų | 47.8 | 62% | 0.621 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.1 | -179.4 | -52.8 | 74.5 | -157.4 | 0 | 0 | 113.6 | K315 K319 | K315-E317 WeakPolarHBondContact CD-OE2 3.09Å; K315-E317 VanDerWaalsContact CG-OE2 3.24Å; K315-E317 WeakPolarHBondContact CG-OE2 3.35Å; K315-E317 PolarHBondContact O-N 3.34Å; K315-E317 VanDerWaalsContact O-N 3.16Å; E317-K319 PolarHBondContact O-N 2.84Å |
| 318 | T | 94.5 | Very high | 95 | Very high | 26 Ų | 26 | 50 Ų | 50 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | trans | -65.5 | 122.7 | -180 | -55.9 | 0 | 0 | 0 | 0 | 110 | K315 E322 L323 | K315-T318 WeakPolarHBondContact CG-OG1 3.48Å; K315-T318 PolarHBondContact N-OG1 2.93Å; K315-T318 VanDerWaalsContact N-OG1 3.16Å; K315-T318 VanDerWaalsContact O-CB 3.31Å; K315-T318 WeakPolarHBondContact O-CB 3.39Å; K315-T318 PolarHBondContact O-N 3.19Å; K315-T318 PolarHBondContact O-OG1 3Å; T318-E322 HydrophobicContact CG2-CB 3.97Å; T318-L323 HydrophobicContact CG2-CD2 3.77Å; T318-L323 HydrophobicContact CG2-CG 3.94Å | ||
| 319 | K | 94.5 | Very high | 95 | Very high | 144 Ų | 144 | 53.4 Ų | 53.4 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | trans | -72.7 | 148.5 | 177.4 | -60.1 | 175.9 | -179.3 | -179.9 | 0 | 110.4 | E317 S321 E322 L323 | E317-K319 PolarHBondContact O-N 2.84Å; K319-S321 PolarHBondContact O-N 2.89Å; K319-S321 VanDerWaalsContact O-N 3.16Å; K319-E322 HydrophobicContact CB-CG 4.23Å; K319-E322 VanDerWaalsContact CB-OE2 3.29Å; K319-E322 WeakPolarHBondContact CB-OE2 3.22Å; K319-E322 WeakPolarHBondContact CG-OE2 3Å; K319-E322 PolarHBondContact N-OE2 2.88Å; K319-E322 WeakPolarHBondContact O-CB 3.41Å; K319-E322 PolarHBondContact O-N 3.4Å; K319-L323 PolarHBondContact O-N 3.42Å | ||
| 320 | T | 95.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.5 | -38.2 | 173.4 | -57 | 0 | 0 | 0 | 0 | 112.7 | E322 L323 I324 E495 V497 L498 | T320-E322 PolarHBondContact O-N 2.79Å; T320-L323 PolarHBondContact O-N 3.41Å; T320-I324 HydrophobicContact CG2-CD1 3.91Å; T320-I324 HydrophobicContact CG2-CG1 4.37Å; T320-I324 WeakPolarHBondContact O-CG1 3.43Å; T320-I324 PolarHBondContact O-N 3.09Å; T320-E495 WeakPolarHBondContact CB-O 3.27Å; T320-E495 PolarHBondContact OG1-O 2.8Å; T320-V497 WeakPolarHBondContact CG2-O 3.19Å; T320-L498 HydrophobicContact CG2-CB 3.62Å; T320-L498 HydrophobicContact CG2-CD1 4.33Å; T320-L498 HydrophobicContact CG2-CG 4.06Å |
| 321 | S | 95.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.8 | -30.4 | 177 | 59 | 0 | 0 | 0 | 0 | 113.2 | K319 K325 | K319-S321 PolarHBondContact O-N 2.89Å; K319-S321 VanDerWaalsContact O-N 3.16Å; S321-K325 VanDerWaalsContact O-CG 3.28Å; S321-K325 WeakPolarHBondContact O-CG 3.48Å; S321-K325 PolarHBondContact O-N 3.15Å; S321-K325 VanDerWaalsContact O-N 3.12Å |
| 322 | E | 96.7 | Very high | 95.1 | Very high | 85 Ų | 85 | 58.1 Ų | 58.1 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.4 | -45.4 | 176.1 | -64.6 | 172.3 | 91 | 0 | 0 | 109.9 | T318 K319 T320 I324 K325 L326 | T318-E322 HydrophobicContact CG2-CB 3.97Å; K319-E322 HydrophobicContact CB-CG 4.23Å; K319-E322 VanDerWaalsContact CB-OE2 3.29Å; K319-E322 WeakPolarHBondContact CB-OE2 3.22Å; K319-E322 WeakPolarHBondContact CG-OE2 3Å; K319-E322 PolarHBondContact N-OE2 2.88Å; K319-E322 WeakPolarHBondContact O-CB 3.41Å; K319-E322 PolarHBondContact O-N 3.4Å; T320-E322 PolarHBondContact O-N 2.79Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 2.96Å; E322-K325 WeakPolarHBondContact O-CB 3.36Å; E322-K325 PolarHBondContact O-N 3.37Å; E322-K325 VanDerWaalsContact O-N 3.08Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 2.66Å |
| 323 | L | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 174.4 | -61.5 | 177.2 | 0 | 0 | 0 | 112.3 | L311 W314 T318 K319 T320 K325 L326 I327 L498 L516 | L311-L323 HydrophobicContact CD2-CD2 3.97Å; W314-L323 HydrophobicContact CB-CD2 4.3Å; W314-L323 HydrophobicContact CD2-CD1 4.26Å; W314-L323 HydrophobicContact CD2-CD2 3.97Å; W314-L323 HydrophobicContact CG-CD2 3.8Å; W314-L323 HydrophobicContact CH2-CD1 4.48Å; W314-L323 HydrophobicContact CZ2-CD1 3.83Å; T318-L323 HydrophobicContact CG2-CD2 3.77Å; T318-L323 HydrophobicContact CG2-CG 3.94Å; K319-L323 PolarHBondContact O-N 3.42Å; T320-L323 PolarHBondContact O-N 3.41Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 2.74Å; L323-L326 HydrophobicContact CD2-CD1 4.46Å; L323-L326 PolarHBondContact O-N 3.14Å; L323-I327 WeakPolarHBondContact O-CD1 3.45Å; L323-I327 VanDerWaalsContact O-CG1 3.3Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 2.85Å; L323-L498 HydrophobicContact CB-CD1 3.89Å; L323-L498 HydrophobicContact CD1-CD1 4.27Å; L323-L516 HydrophobicContact CD1-CD2 3.31Å |
| 324 | I | 96.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 174.9 | -71.2 | 168.2 | 0 | 0 | 0 | 110.3 | T320 E322 L326 I327 T328 I489 L498 | T320-I324 HydrophobicContact CG2-CD1 3.91Å; T320-I324 HydrophobicContact CG2-CG1 4.37Å; T320-I324 WeakPolarHBondContact O-CG1 3.43Å; T320-I324 PolarHBondContact O-N 3.09Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 2.96Å; I324-L326 PolarHBondContact O-N 2.81Å; I324-I327 PolarHBondContact O-N 2.91Å; I324-T328 WeakPolarHBondContact O-CB 3.33Å; I324-T328 PolarHBondContact O-N 3.05Å; I324-T328 PolarHBondContact O-OG1 2.7Å; I324-T328 VanDerWaalsContact O-OG1 3.07Å; I324-I489 HydrophobicContact CD1-CG2 4.08Å; I324-I489 HydrophobicContact CG1-CG2 4.2Å; I324-I489 HydrophobicContact CG2-CG1 4.25Å; I324-I489 HydrophobicContact CG2-CG2 3.95Å; I324-L498 HydrophobicContact CG1-CD1 4.3Å; I324-L498 HydrophobicContact CG1-CG 4.06Å |
| 325 | K | 97 | Very high | 95.4 | Very high | 131 Ų | 131 | 61.2 Ų | 61.2 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | 177 | -74.9 | 172.1 | -178.2 | -177.7 | 0 | 112.1 | S321 E322 L323 I327 T328 N329 | S321-K325 VanDerWaalsContact O-CG 3.28Å; S321-K325 WeakPolarHBondContact O-CG 3.48Å; S321-K325 PolarHBondContact O-N 3.15Å; S321-K325 VanDerWaalsContact O-N 3.12Å; E322-K325 WeakPolarHBondContact O-CB 3.36Å; E322-K325 PolarHBondContact O-N 3.37Å; E322-K325 VanDerWaalsContact O-N 3.08Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 2.74Å; K325-I327 VanDerWaalsContact C-N 3.34Å; K325-I327 PolarHBondContact O-N 3.17Å; K325-T328 PolarHBondContact O-N 2.78Å; K325-N329 WeakPolarHBondContact O-CB 3.42Å; K325-N329 PolarHBondContact O-N 3.46Å; K325-N329 PolarHBondContact O-ND2 3.46Å; K325-N329 PolarHBondContact O-OD1 2.96Å |
| 326 | L | 96.9 | Very high | 95.3 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 177.3 | -63.2 | 175.9 | 0 | 0 | 0 | 111.1 | S310 L311 E322 L323 I324 W330 | S310-L326 WeakPolarHBondContact O-CD1 3.32Å; L311-L326 HydrophobicContact CD2-CB 4.34Å; L311-L326 HydrophobicContact CD2-CD1 4.02Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 2.66Å; L323-L326 HydrophobicContact CD2-CD1 4.46Å; L323-L326 PolarHBondContact O-N 3.14Å; I324-L326 PolarHBondContact O-N 2.81Å; L326-W330 PolarHBondContact O-N 2.92Å; L326-W330 VanDerWaalsContact O-N 3.14Å |
| 327 | I | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 179.3 | -65.1 | 158.2 | 0 | 0 | 0 | 111 | L323 I324 K325 W330 Q331 W342 L368 L372 I489 L498 | L323-I327 WeakPolarHBondContact O-CD1 3.45Å; L323-I327 VanDerWaalsContact O-CG1 3.3Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 2.85Å; I324-I327 PolarHBondContact O-N 2.91Å; K325-I327 VanDerWaalsContact C-N 3.34Å; K325-I327 PolarHBondContact O-N 3.17Å; I327-W330 PolarHBondContact O-N 3.49Å; I327-Q331 WeakPolarHBondContact O-CG 3.28Å; I327-Q331 PolarHBondContact O-N 3.23Å; I327-Q331 VanDerWaalsContact O-N 3.17Å; I327-W342 HydrophobicContact CB-CH2 4.11Å; I327-W342 HydrophobicContact CB-CZ3 4.44Å; I327-W342 HydrophobicContact CG1-CH2 4.11Å; I327-W342 HydrophobicContact CG1-CZ3 4.01Å; I327-W342 HydrophobicContact CG2-CH2 3.95Å; I327-W342 HydrophobicContact CG2-CZ2 4.38Å; I327-L368 HydrophobicContact CD1-CD1 3.95Å; I327-L372 HydrophobicContact CD1-CD1 4.17Å; I327-L372 HydrophobicContact CD1-CD2 4.14Å; I327-L372 HydrophobicContact CG1-CD1 4.1Å; I327-L372 HydrophobicContact CG1-CD2 4.29Å; I327-L372 HydrophobicContact CG2-CD2 3.82Å; I327-I489 HydrophobicContact CG2-CD1 4.44Å; I327-L498 HydrophobicContact CD1-CD1 4.25Å |
| 328 | T | 96 | Very high | 95.4 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | -178.8 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | I324 K325 W330 Q331 L332 | I324-T328 WeakPolarHBondContact O-CB 3.33Å; I324-T328 PolarHBondContact O-N 3.05Å; I324-T328 PolarHBondContact O-OG1 2.7Å; I324-T328 VanDerWaalsContact O-OG1 3.07Å; K325-T328 PolarHBondContact O-N 2.78Å; T328-W330 VanDerWaalsContact C-N 3.35Å; T328-W330 PolarHBondContact O-N 3.15Å; T328-Q331 PolarHBondContact O-N 3.46Å; T328-L332 HydrophobicContact CG2-CD1 3.69Å; T328-L332 HydrophobicContact CG2-CG 4.14Å; T328-L332 WeakPolarHBondContact O-CB 3.06Å; T328-L332 VanDerWaalsContact O-CG 3.26Å; T328-L332 WeakPolarHBondContact O-CG 3.07Å; T328-L332 PolarHBondContact O-N 3.47Å |
| 329 | N | 96.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 179.2 | -74.3 | -8.3 | 0 | 0 | 0 | 111.8 | L292 K325 L332 K333 | L292-N329 HydrophobicContact CD2-CB 4.08Å; K325-N329 WeakPolarHBondContact O-CB 3.42Å; K325-N329 PolarHBondContact O-N 3.46Å; K325-N329 PolarHBondContact O-ND2 3.46Å; K325-N329 PolarHBondContact O-OD1 2.96Å; N329-L332 PolarHBondContact O-N 3.39Å; N329-K333 WeakPolarHBondContact O-CB 3.48Å; N329-K333 PolarHBondContact O-N 3.33Å |
| 330 | W | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 174.6 | 179 | -93.7 | 0 | 0 | 0 | 111.2 | L292 V295 I296 Y299 P306 N308 L326 I327 T328 L332 K333 K334 S340 W342 | L292-W330 HydrophobicContact CD1-CE3 3.54Å; L292-W330 HydrophobicContact CD1-CZ3 3.81Å; V295-W330 HydrophobicContact CG1-CH2 4.13Å; V295-W330 HydrophobicContact CG1-CZ3 3.81Å; I296-W330 HydrophobicContact CD1-CE3 4.4Å; I296-W330 HydrophobicContact CD1-CH2 4.48Å; I296-W330 HydrophobicContact CD1-CZ3 4.2Å; Y299-W330 HydrophobicContact CE2-CH2 4.34Å; Y299-W330 HydrophobicContact CE2-CZ2 4.25Å; Y299-W330 WeakPolarHBondContact OH-CZ2 3.4Å; P306-W330 HydrophobicContact CG-CH2 4.32Å; N308-W330 HydrophobicContact CB-CD2 4.12Å; N308-W330 HydrophobicContact CB-CE3 3.8Å; N308-W330 HydrophobicContact CB-CH2 3.65Å; N308-W330 HydrophobicContact CB-CZ2 3.95Å; N308-W330 HydrophobicContact CB-CZ3 3.57Å; N308-W330 VanDerWaalsContact ND2-CD2 3.28Å; L326-W330 PolarHBondContact O-N 2.92Å; L326-W330 VanDerWaalsContact O-N 3.14Å; I327-W330 PolarHBondContact O-N 3.49Å; T328-W330 VanDerWaalsContact C-N 3.35Å; T328-W330 PolarHBondContact O-N 3.15Å; W330-L332 VanDerWaalsContact C-N 3.29Å; W330-L332 PolarHBondContact O-N 3.38Å; W330-K333 PolarHBondContact O-N 3.11Å; W330-K334 WeakPolarHBondContact O-CB 3.23Å; W330-K334 PolarHBondContact O-N 3.18Å; W330-S340 PolarHBondContact NE1-OG 3.08Å; W330-S340 VanDerWaalsContact NE1-OG 3.09Å; W330-W342 HydrophobicContact CB-CH2 3.91Å; W330-W342 HydrophobicContact CB-CZ3 4.36Å; W330-W342 AromaticContact CD1-CH2 3.79Å; W330-W342 AromaticContact CD1-CZ2 3.87Å; W330-W342 AromaticContact CG-CH2 3.99Å; W330-W342 HydrophobicContact CG-CH2 3.99Å; W330-W342 HydrophobicContact CG-CZ2 4.49Å; W330-W342 HydrophobicContact CG-CZ3 4.47Å |
| 331 | Q | 95 | Very high | 95.6 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -32.1 | -179.3 | -67.6 | -65.8 | -0.3 | 0 | 0 | 113.6 | I327 T328 S484 V487 | I327-Q331 WeakPolarHBondContact O-CG 3.28Å; I327-Q331 PolarHBondContact O-N 3.23Å; I327-Q331 VanDerWaalsContact O-N 3.17Å; T328-Q331 PolarHBondContact O-N 3.46Å; Q331-S484 PolarHBondContact NE2-O 3.1Å; Q331-S484 VanDerWaalsContact NE2-O 3.12Å; Q331-S484 PolarHBondContact OE1-O 3.14Å; Q331-V487 HydrophobicContact CG-CG1 3.76Å |
| 332 | L | 95.1 | Very high | 95.7 | Very high | 133 Ų | 133 | 52 Ų | 52 | 70% | 0.696 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -76.7 | -39.8 | 177.6 | -72.2 | 173.6 | 0 | 0 | 0 | 113.1 | T328 N329 W330 | T328-L332 HydrophobicContact CG2-CD1 3.69Å; T328-L332 HydrophobicContact CG2-CG 4.14Å; T328-L332 WeakPolarHBondContact O-CB 3.06Å; T328-L332 VanDerWaalsContact O-CG 3.26Å; T328-L332 WeakPolarHBondContact O-CG 3.07Å; T328-L332 PolarHBondContact O-N 3.47Å; N329-L332 PolarHBondContact O-N 3.39Å; W330-L332 VanDerWaalsContact C-N 3.29Å; W330-L332 PolarHBondContact O-N 3.38Å |
| 333 | K | 96.1 | Very high | 95.7 | Very high | 85 Ų | 85 | 48 Ų | 48 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -84.8 | -30.4 | -176.1 | -74.5 | -172.2 | 168.6 | -168.9 | 0 | 113.2 | L292 E293 I296 N329 W330 | L292-K333 HydrophobicContact CD2-CD 3.63Å; L292-K333 HydrophobicContact CG-CD 3.77Å; E293-K333 IonicContact OE1-NZ 2.71Å; E293-K333 PolarHBondContact OE1-NZ 3.04Å; I296-K333 HydrophobicContact CD1-CB 4.17Å; I296-K333 HydrophobicContact CG1-CB 4.12Å; N329-K333 WeakPolarHBondContact O-CB 3.48Å; N329-K333 PolarHBondContact O-N 3.33Å; W330-K333 PolarHBondContact O-N 3.11Å |
| 334 | K | 95 | Very high | 95.7 | Very high | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -57 | 130.9 | 175.9 | -178.5 | -174.3 | 63.5 | 60.2 | 0 | 109.9 | I296 Y299 W330 K338 S340 D485 | I296-K334 HydrophobicContact CD1-CB 4.2Å; Y299-K334 HydrophobicContact CD2-CG 4.48Å; Y299-K334 HydrophobicContact CE2-CB 4.49Å; Y299-K334 HydrophobicContact CE2-CD 4.45Å; Y299-K334 HydrophobicContact CE2-CG 3.75Å; W330-K334 WeakPolarHBondContact O-CB 3.23Å; W330-K334 PolarHBondContact O-N 3.18Å; K334-K338 HydrophobicContact CD-CB 4.46Å; K334-K338 WeakPolarHBondContact CD-O 3.44Å; K334-K338 VanDerWaalsContact CE-O 3.3Å; K334-K338 WeakPolarHBondContact CE-O 3.32Å; K334-K338 HydrophobicContact CG-CB 4.11Å; K334-K338 PolarHBondContact NZ-O 3.12Å; K334-S340 VanDerWaalsContact CD-OG 3.28Å; K334-S340 WeakPolarHBondContact CD-OG 3.47Å; K334-S340 WeakPolarHBondContact CE-OG 3.22Å; K334-D485 WeakPolarHBondContact CE-OD1 3.29Å; K334-D485 IonicContact NZ-OD1 3.09Å; K334-D485 PolarHBondContact NZ-OD1 3.43Å |
| 335 | P | 95.3 | Very high | 95.7 | Very high | 41 Ų | 41 | 46 Ų | 46 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 147.3 | 178.1 | -21.1 | 31.1 | 0 | 0 | 0 | 111.8 | Y299 G337 K338 | Y299-P335 HydrophobicContact CD2-CG 4.31Å; Y299-P335 HydrophobicContact CG-CG 4.36Å; P335-G337 PolarHBondContact O-N 2.74Å; P335-K338 HydrophobicContact CB-CB 4.45Å; P335-K338 HydrophobicContact CB-CG 3.77Å; P335-K338 HydrophobicContact CG-CG 4.18Å; P335-K338 WeakPolarHBondContact O-CB 3.36Å; P335-K338 PolarHBondContact O-N 2.98Å; P335-K338 VanDerWaalsContact O-N 3.12Å |
| 336 | E | 91.9 | Very high | 95.7 | Very high | 197 Ų | 197 | 40 Ų | 40 | 92% | 0.921 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136 | -179.9 | -170.3 | 176.1 | -177.2 | 0 | 0 | 110.8 | K338 | E336-K338 PolarHBondContact O-N 2.97Å; E336-K338 VanDerWaalsContact O-N 3.14Å |
| 337 | G | 89.8 | Confident | 95.6 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 64% | 0.639 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | -10.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P335 | P335-G337 PolarHBondContact O-N 2.74Š|
| 338 | K | 94.4 | Very high | 95.5 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 27% | 0.27 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -74.7 | 154.6 | 174.3 | -64.2 | -70.7 | -177.7 | 157.2 | 0 | 111.5 | Y299 D302 K334 P335 E336 S484 | Y299-K338 HydrophobicContact CD1-CB 3.66Å; Y299-K338 HydrophobicContact CD1-CD 3.84Å; Y299-K338 HydrophobicContact CD1-CG 3.83Å; Y299-K338 HydrophobicContact CE1-CB 3.65Å; Y299-K338 HydrophobicContact CE1-CG 4.35Å; Y299-K338 HydrophobicContact CG-CB 4.2Å; Y299-K338 HydrophobicContact CG-CD 4.43Å; Y299-K338 HydrophobicContact CG-CG 4.15Å; Y299-K338 PolarHBondContact O-NZ 2.69Å; D302-K338 IonicContact OD1-NZ 2.7Å; D302-K338 PolarHBondContact OD1-NZ 2.93Å; K334-K338 HydrophobicContact CD-CB 4.46Å; K334-K338 WeakPolarHBondContact CD-O 3.44Å; K334-K338 VanDerWaalsContact CE-O 3.3Å; K334-K338 WeakPolarHBondContact CE-O 3.32Å; K334-K338 HydrophobicContact CG-CB 4.11Å; K334-K338 PolarHBondContact NZ-O 3.12Å; P335-K338 HydrophobicContact CB-CB 4.45Å; P335-K338 HydrophobicContact CB-CG 3.77Å; P335-K338 HydrophobicContact CG-CG 4.18Å; P335-K338 WeakPolarHBondContact O-CB 3.36Å; P335-K338 PolarHBondContact O-N 2.98Å; P335-K338 VanDerWaalsContact O-N 3.12Å; E336-K338 PolarHBondContact O-N 2.97Å; E336-K338 VanDerWaalsContact O-N 3.14Å; K338-S484 PolarHBondContact O-OG 2.62Å |
| 339 | W | 95.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -91.2 | 129.8 | -170.1 | -159.2 | -101.4 | 0 | 0 | 0 | 112.8 | K18 Y299 F305 T375 S484 | K18-W339 HydrophobicContact CB-CH2 3.69Å; K18-W339 HydrophobicContact CB-CZ2 3.47Å; K18-W339 VanDerWaalsContact CB-CZ2 3.47Å; K18-W339 HydrophobicContact CB-CZ3 4.44Å; K18-W339 HydrophobicContact CD-CD2 4.21Å; K18-W339 HydrophobicContact CD-CE3 3.81Å; K18-W339 HydrophobicContact CD-CH2 3.65Å; K18-W339 HydrophobicContact CD-CZ2 4.06Å; K18-W339 HydrophobicContact CD-CZ3 3.51Å; K18-W339 VanDerWaalsContact CE-CE3 3.43Å; K18-W339 HydrophobicContact CG-CD2 3.93Å; K18-W339 HydrophobicContact CG-CE3 4.05Å; K18-W339 HydrophobicContact CG-CH2 3.63Å; K18-W339 HydrophobicContact CG-CZ2 3.49Å; K18-W339 VanDerWaalsContact CG-CZ2 3.49Å; K18-W339 HydrophobicContact CG-CZ3 3.91Å; Y299-W339 PolarHBondContact OH-O 2.88Å; F305-W339 WeakPolarHBondContact CB-O 3.36Å; F305-W339 AromaticContact CD1-CD1 3.93Å; W339-T375 PolarHBondContact NE1-OG1 3.26Å; W339-S484 WeakPolarHBondContact CA-OG 3.37Å |
| 340 | S | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 159.7 | 178.1 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | W330 K334 P373 G374 T375 S484 | W330-S340 PolarHBondContact NE1-OG 3.08Å; W330-S340 VanDerWaalsContact NE1-OG 3.09Å; K334-S340 VanDerWaalsContact CD-OG 3.28Å; K334-S340 WeakPolarHBondContact CD-OG 3.47Å; K334-S340 WeakPolarHBondContact CE-OG 3.22Å; S340-P373 WeakPolarHBondContact CB-O 3.1Å; S340-G374 CarbonylContact O-C 3.47Å; S340-G374 VanDerWaalsContact O-CA 3.22Å; S340-G374 WeakPolarHBondContact O-CA 3.38Å; S340-T375 PolarHBondContact O-N 2.6Å; S340-S484 PolarHBondContact N-OG 3.22Å; S340-S484 PolarHBondContact OG-O 3.38Å; S340-S484 PolarHBondContact OG-OG 3.41Å |
| 341 | N | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 164.5 | 165.6 | 73.1 | 93.1 | 0 | 0 | 0 | 111.3 | F305 P306 N308 T375 | F305-N341 HydrophobicContact CD1-CB 4.15Å; F305-N341 HydrophobicContact CD2-CB 3.57Å; F305-N341 WeakPolarHBondContact CD2-ND2 3.45Å; F305-N341 HydrophobicContact CE1-CB 4.09Å; F305-N341 HydrophobicContact CE2-CB 3.51Å; F305-N341 HydrophobicContact CG-CB 3.9Å; F305-N341 WeakPolarHBondContact CG-ND2 3.38Å; F305-N341 HydrophobicContact CZ-CB 3.77Å; P306-N341 PolarHBondContact O-ND2 2.63Å; N308-N341 PolarHBondContact N-OD1 2.94Å; N341-T375 CarbonylContact C-O 3.57Å; N341-T375 WeakPolarHBondContact CA-O 3.46Å; N341-T375 WeakPolarHBondContact CB-O 3.38Å |
| 342 | W | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.3 | 178.9 | -55 | 94.9 | 0 | 0 | 0 | 110.7 | N308 L311 I327 W330 L369 L372 P373 T375 I377 | N308-W342 WeakPolarHBondContact ND2-CZ3 3.26Å; L311-W342 HydrophobicContact CD1-CD2 4.44Å; L311-W342 HydrophobicContact CD1-CE3 3.61Å; L311-W342 HydrophobicContact CD1-CZ3 4.26Å; L311-W342 HydrophobicContact CG-CE3 4.18Å; I327-W342 HydrophobicContact CB-CH2 4.11Å; I327-W342 HydrophobicContact CB-CZ3 4.44Å; I327-W342 HydrophobicContact CG1-CH2 4.11Å; I327-W342 HydrophobicContact CG1-CZ3 4.01Å; I327-W342 HydrophobicContact CG2-CH2 3.95Å; I327-W342 HydrophobicContact CG2-CZ2 4.38Å; W330-W342 HydrophobicContact CB-CH2 3.91Å; W330-W342 HydrophobicContact CB-CZ3 4.36Å; W330-W342 AromaticContact CD1-CH2 3.79Å; W330-W342 AromaticContact CD1-CZ2 3.87Å; W330-W342 AromaticContact CG-CH2 3.99Å; W330-W342 HydrophobicContact CG-CH2 3.99Å; W330-W342 HydrophobicContact CG-CZ2 4.49Å; W330-W342 HydrophobicContact CG-CZ3 4.47Å; W342-L369 HydrophobicContact CB-CD1 3.94Å; W342-L369 WeakPolarHBondContact O-CD1 3.16Å; W342-L372 HydrophobicContact CD2-CB 4.16Å; W342-L372 HydrophobicContact CD2-CD1 3.59Å; W342-L372 HydrophobicContact CD2-CG 4.47Å; W342-L372 HydrophobicContact CE3-CD1 3.85Å; W342-L372 HydrophobicContact CG-CB 4.04Å; W342-L372 HydrophobicContact CG-CD1 3.96Å; W342-L372 HydrophobicContact CH2-CD1 4.48Å; W342-L372 HydrophobicContact CZ2-CB 4.46Å; W342-L372 HydrophobicContact CZ2-CD1 4.26Å; W342-L372 HydrophobicContact CZ3-CD1 4.28Å; W342-P373 PolarHBondContact NE1-O 2.83Å; W342-T375 PolarHBondContact N-O 2.86Å; W342-I377 PolarHBondContact O-N 2.77Å |
| 343 | V | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.6 | 179 | -166.9 | 0 | 0 | 0 | 0 | 108.3 | L307 F309 L311 V312 G345 I377 | L307-V343 HydrophobicContact CD2-CG2 3.65Å; F309-V343 HydrophobicContact CD1-CB 4.17Å; F309-V343 HydrophobicContact CD1-CG1 4.22Å; F309-V343 HydrophobicContact CD1-CG2 4.27Å; F309-V343 HydrophobicContact CE1-CG1 4.23Å; F309-V343 HydrophobicContact CE1-CG2 4.37Å; L311-V343 CarbonylContact C-O 3.53Å; L311-V343 WeakPolarHBondContact CB-O 3.41Å; V312-V343 HydrophobicContact CG2-CB 3.99Å; V312-V343 HydrophobicContact CG2-CG1 3.83Å; V312-V343 WeakPolarHBondContact CG2-O 3.44Å; V312-V343 PolarHBondContact N-O 3.26Å; V343-G345 WeakPolarHBondContact CG1-O 3.32Å; V343-I377 HydrophobicContact CG1-CB 4.45Å; V343-I377 HydrophobicContact CG2-CB 3.97Å; V343-I377 HydrophobicContact CG2-CG1 3.84Å |
| 344 | V | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -114.8 | -13.2 | 176.1 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | L311 I352 R355 L369 | L311-V344 HydrophobicContact CB-CG1 4.13Å; L311-V344 HydrophobicContact CD1-CG1 4.38Å; V344-I352 HydrophobicContact CB-CD1 4.5Å; V344-I352 HydrophobicContact CB-CG1 4.37Å; V344-R355 PolarHBondContact O-NH2 2.73Å; V344-L369 HydrophobicContact CG1-CB 4.24Å; V344-L369 HydrophobicContact CG1-CD1 4.35Å; V344-L369 HydrophobicContact CG2-CB 4.49Å; V344-L369 HydrophobicContact CG2-CD1 4.49Å; V344-L369 HydrophobicContact CG2-CD2 3.94Å |
| 345 | G | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -160.3 | 155 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V343 | V343-G345 WeakPolarHBondContact CG1-O 3.32Š| ||
| 346 | N | 97 | Very high | 95 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | trans | -160.1 | -174 | 178.4 | 62.3 | 33.6 | 0 | 0 | 0 | 109.5 | Y289 D348 Q349 Y379 | Y289-N346 PolarHBondContact OH-ND2 2.65Å; N346-D348 VanDerWaalsContact C-N 3.34Å; N346-D348 PolarHBondContact O-N 3.2Å; N346-D348 PolarHBondContact OD1-N 2.89Å; N346-Q349 WeakPolarHBondContact OD1-CB 3.12Å; N346-Q349 WeakPolarHBondContact OD1-CG 3.32Å; N346-Q349 PolarHBondContact OD1-N 3.43Å; N346-Q349 VanDerWaalsContact OD1-N 3.07Å; N346-Y379 WeakPolarHBondContact O-CE1 3.41Å | ||
| 347 | H | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -81.1 | -2.4 | -178 | 61.6 | -82.4 | 0 | 0 | 0 | 115.2 | Q24 Y26 Y74 Y379 C419 R420 | Q24-H347 PolarHBondContact NE2-CE1 2.83Å; Q24-H347 PolarHBondContact NE2-ND1 3.13Å; Y26-H347 HydrophobicContact CD2-CB 3.87Å; Y26-H347 HydrophobicContact CE2-CB 4.21Å; Y74-H347 AromaticContact CE2-NE2 3.94Å; Y74-H347 AromaticContact CZ-NE2 3.52Å; Y74-H347 PolarHBondContact OH-CE1 3.24Å; Y74-H347 VanDerWaalsContact OH-CE1 3.3Å; Y74-H347 PolarHBondContact OH-NE2 2.91Å; H347-Y379 WeakPolarHBondContact CA-OH 3.42Å; H347-Y379 HydrophobicContact CB-CE2 3.77Å; H347-Y379 WeakPolarHBondContact CB-OH 3.48Å; H347-C419 PolarHBondContact O-SG 3.37Å; H347-R420 HydrophobicContact CB-CG 4.38Å; H347-R420 PolarHBondContact CD2-NH2 3.43Å; H347-R420 PolarHBondContact O-NE 3.24Å; H347-R420 PolarHBondContact O-NH2 3.29Å |
| 348 | D | 94.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 22.6 Ų | 22.6 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -108.7 | -12.7 | -178.6 | -62.1 | -43.4 | 0 | 0 | 0 | 113.2 | N346 R416 R420 | N346-D348 VanDerWaalsContact C-N 3.34Å; N346-D348 PolarHBondContact O-N 3.2Å; N346-D348 PolarHBondContact OD1-N 2.89Å; D348-R416 WeakPolarHBondContact OD1-CD 3.41Å; D348-R416 IonicContact OD1-NH1 3.32Å; D348-R420 IonicContact OD1-NH2 3.33Å; D348-R420 PolarHBondContact OD1-NH2 2.68Å |
| 349 | Q | 92.9 | Very high | 94 | Very high | 75 Ų | 75 | 20.2 Ų | 20.2 | 35% | 0.35 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -121.8 | 151.5 | -172.2 | -61.2 | -69.7 | -26.1 | 0 | 0 | 109.5 | V312 N346 C419 | V312-Q349 HydrophobicContact CG1-CB 3.85Å; V312-Q349 HydrophobicContact CG1-CG 3.59Å; N346-Q349 WeakPolarHBondContact OD1-CB 3.12Å; N346-Q349 WeakPolarHBondContact OD1-CG 3.32Å; N346-Q349 PolarHBondContact OD1-N 3.43Å; N346-Q349 VanDerWaalsContact OD1-N 3.07Å; Q349-C419 VanDerWaalsContact O-CB 3.23Å; Q349-C419 WeakPolarHBondContact O-CB 3.38Å; Q349-C419 PolarHBondContact O-SG 3.36Å |
| 350 | M | 94.2 | Very high | 93.4 | Very high | 109 Ų | 109 | 20.6 Ų | 20.6 | 54% | 0.537 | 13% | 0.126 | S | C | . | . | trans | -45.7 | 149.1 | 173.5 | -68.7 | -179.8 | 74.9 | 0 | 0 | 111.3 | R355 D388 | M350-R355 HydrophobicContact CB-CG 3.91Å; M350-R355 PolarHBondContact O-NH1 2.81Å; M350-R355 PolarHBondContact O-NH2 2.66Å; M350-R355 VanDerWaalsContact O-NH2 3.12Å; M350-D388 VanDerWaalsContact CB-OD2 3.3Å; M350-D388 WeakPolarHBondContact CB-OD2 3.38Å; M350-D388 WeakPolarHBondContact CE-OD2 3.33Å | ||
| 351 | R | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | trans | -64.2 | 145.4 | 177.3 | -74.9 | 175.6 | 174.3 | -79.6 | 0.5 | 111.1 | A353 S354 R355 Y380 D382 M386 K387 D388 C419 | R351-A353 PolarHBondContact O-N 2.89Å; R351-S354 WeakPolarHBondContact O-CA 3.33Å; R351-S354 VanDerWaalsContact O-CB 3.3Å; R351-S354 WeakPolarHBondContact O-CB 3.48Å; R351-S354 PolarHBondContact O-N 2.64Å; R351-R355 PolarHBondContact O-N 3.29Å; R351-Y380 PolarHBondContact NH1-O 2.89Å; R351-Y380 VanDerWaalsContact NH2-CZ 3.34Å; R351-Y380 PolarHBondContact NH2-O 3.34Å; R351-Y380 PolarHBondContact NH2-OH 3.08Å; R351-D382 IonicContact NH1-OD1 3.85Å; R351-M386 WeakPolarHBondContact CD-O 3.42Å; R351-M386 PolarHBondContact NH2-SD 3.24Å; R351-K387 VanDerWaalsContact CD-C 3.41Å; R351-K387 WeakPolarHBondContact CD-O 3.47Å; R351-D388 WeakPolarHBondContact CB-OD1 3.29Å; R351-D388 WeakPolarHBondContact CG-OD1 3.35Å; R351-D388 PolarHBondContact N-OD1 3.05Å; R351-D388 PolarHBondContact N-OD2 2.93Å; R351-C419 HydrophobicContact CG-CB 3.94Å; R351-C419 PolarHBondContact NE-O 3.46Å; R351-C419 PolarHBondContact NH2-O 2.65Å | ||
| 352 | I | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.4 | -37.4 | -178.5 | -175.3 | 59.1 | 0 | 0 | 0 | 111.6 | W314 V344 S354 R355 L356 A365 D382 | W314-I352 HydrophobicContact CB-CD1 4.44Å; W314-I352 HydrophobicContact CD2-CD1 4.47Å; W314-I352 HydrophobicContact CE3-CD1 4.22Å; V344-I352 HydrophobicContact CB-CD1 4.5Å; V344-I352 HydrophobicContact CB-CG1 4.37Å; I352-S354 VanDerWaalsContact C-N 3.27Å; I352-S354 PolarHBondContact O-N 2.79Å; I352-R355 PolarHBondContact O-N 2.76Å; I352-L356 HydrophobicContact CD1-CD1 3.9Å; I352-L356 HydrophobicContact CD1-CD2 4.35Å; I352-L356 HydrophobicContact CD1-CG 3.89Å; I352-L356 HydrophobicContact CG1-CD1 3.93Å; I352-L356 HydrophobicContact CG1-CG 4.27Å; I352-L356 WeakPolarHBondContact O-CB 3.48Å; I352-L356 VanDerWaalsContact O-CG 3.31Å; I352-L356 WeakPolarHBondContact O-CG 3.27Å; I352-L356 PolarHBondContact O-N 2.83Å; I352-A365 HydrophobicContact CG1-CB 3.9Å; I352-D382 HydrophobicContact CG2-CB 4.32Å |
| 353 | A | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -30 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R351 G357 A358 M386 K387 | R351-A353 PolarHBondContact O-N 2.89Å; A353-G357 PolarHBondContact O-N 2.78Å; A353-A358 CarbonylContact O-C 3.57Å; A353-A358 PolarHBondContact O-N 2.94Å; A353-A358 VanDerWaalsContact O-N 3.16Å; A353-M386 WeakPolarHBondContact CB-O 3.47Å; A353-K387 HydrophobicContact CB-CG 3.97Å |
| 354 | S | 94 | Very high | 92.8 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 21% | 0.21 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.5 | -48.1 | 172.9 | -51 | 0 | 0 | 0 | 0 | 111.4 | R351 I352 L356 G357 D388 | R351-S354 WeakPolarHBondContact O-CA 3.33Å; R351-S354 VanDerWaalsContact O-CB 3.3Å; R351-S354 WeakPolarHBondContact O-CB 3.48Å; R351-S354 PolarHBondContact O-N 2.64Å; I352-S354 VanDerWaalsContact C-N 3.27Å; I352-S354 PolarHBondContact O-N 2.79Å; S354-L356 PolarHBondContact O-N 2.77Å; S354-G357 WeakPolarHBondContact O-CA 3.32Å; S354-G357 PolarHBondContact O-N 2.77Å; S354-D388 WeakPolarHBondContact CB-OD2 3.5Å; S354-D388 WeakPolarHBondContact OG-CB 3.2Å; S354-D388 PolarHBondContact OG-N 3.3Å; S354-D388 PolarHBondContact OG-OD2 3.47Å |
| 355 | R | 94.5 | Very high | 92.8 | Very high | 32 Ų | 32 | 23.2 Ų | 23.2 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -34 | 179.7 | -75.5 | -164.8 | -69.7 | -89.2 | -17.2 | 113 | V312 W314 K315 A316 V344 M350 R351 I352 G357 | V312-R355 PolarHBondContact O-NE 2.89Å; V312-R355 PolarHBondContact O-NH1 2.94Å; W314-R355 WeakPolarHBondContact O-CB 3.41Å; W314-R355 WeakPolarHBondContact O-CD 3.45Å; W314-R355 PolarHBondContact O-NE 3.42Å; K315-R355 WeakPolarHBondContact CA-O 3.14Å; K315-R355 HydrophobicContact CB-CB 4.49Å; A316-R355 PolarHBondContact N-O 3.06Å; V344-R355 PolarHBondContact O-NH2 2.73Å; M350-R355 HydrophobicContact CB-CG 3.91Å; M350-R355 PolarHBondContact O-NH1 2.81Å; M350-R355 PolarHBondContact O-NH2 2.66Å; M350-R355 VanDerWaalsContact O-NH2 3.12Å; R351-R355 PolarHBondContact O-N 3.29Å; I352-R355 PolarHBondContact O-N 2.76Å; R355-G357 VanDerWaalsContact C-N 3.26Å |
| 356 | L | 93.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.5 | 175.7 | -58.1 | -176.8 | 0 | 0 | 0 | 112.9 | W314 I352 S354 A358 F361 A365 | W314-L356 HydrophobicContact CD2-CD2 4.06Å; W314-L356 HydrophobicContact CG-CD2 4.02Å; W314-L356 HydrophobicContact CH2-CD1 4.43Å; W314-L356 HydrophobicContact CZ2-CD1 4.19Å; W314-L356 HydrophobicContact CZ2-CD2 4.38Å; I352-L356 HydrophobicContact CD1-CD1 3.9Å; I352-L356 HydrophobicContact CD1-CD2 4.35Å; I352-L356 HydrophobicContact CD1-CG 3.89Å; I352-L356 HydrophobicContact CG1-CD1 3.93Å; I352-L356 HydrophobicContact CG1-CG 4.27Å; I352-L356 WeakPolarHBondContact O-CB 3.48Å; I352-L356 VanDerWaalsContact O-CG 3.31Å; I352-L356 WeakPolarHBondContact O-CG 3.27Å; I352-L356 PolarHBondContact O-N 2.83Å; S354-L356 PolarHBondContact O-N 2.77Å; L356-A358 PolarHBondContact O-N 2.95Å; L356-A358 VanDerWaalsContact O-N 3.16Å; L356-F361 HydrophobicContact CB-CB 3.72Å; L356-F361 HydrophobicContact CB-CD2 3.97Å; L356-F361 HydrophobicContact CB-CG 3.97Å; L356-F361 HydrophobicContact CD1-CB 3.6Å; L356-F361 HydrophobicContact CD1-CG 4.36Å; L356-F361 HydrophobicContact CG-CB 4.3Å; L356-F361 WeakPolarHBondContact O-CD2 3.39Å; L356-F361 VanDerWaalsContact O-CE2 3.29Å; L356-F361 WeakPolarHBondContact O-CE2 3.43Å; L356-A365 HydrophobicContact CD1-CB 4.11Å |
| 357 | G | 87.5 | Confident | 92.9 | Very high | 58 Ų | 58 | 23 Ų | 23 | 60% | 0.598 | 14% | 0.136 | S | C | * | . | S | Bend | trans | 78.8 | -14.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A353 S354 R355 | A353-G357 PolarHBondContact O-N 2.78Å; S354-G357 WeakPolarHBondContact O-CA 3.32Å; S354-G357 PolarHBondContact O-N 2.77Å; R355-G357 VanDerWaalsContact C-N 3.26Å |
| 358 | A | 83.4 | Confident | 93 | Very high | 27 Ų | 27 | 22.9 Ų | 22.9 | 22% | 0.223 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -162.2 | 148.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | A353 L356 S360 F361 | A353-A358 CarbonylContact O-C 3.57Å; A353-A358 PolarHBondContact O-N 2.94Å; A353-A358 VanDerWaalsContact O-N 3.16Å; L356-A358 PolarHBondContact O-N 2.95Å; L356-A358 VanDerWaalsContact O-N 3.16Å; A358-S360 WeakPolarHBondContact CB-OG 2.95Å; A358-S360 PolarHBondContact O-N 3.27Å; A358-S360 VanDerWaalsContact O-N 3.07Å; A358-F361 HydrophobicContact CB-CD2 4.47Å; A358-F361 PolarHBondContact O-N 2.98Å; A358-F361 VanDerWaalsContact O-N 3.14Å |
| 359 | S | 83.7 | Confident | 93.2 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -62.3 | -14.3 | 172.3 | -49.8 | 0 | 0 | 0 | 0 | 113.1 | F361 T362 G385 K387 Y464 | S359-F361 PolarHBondContact O-N 3.39Å; S359-F361 VanDerWaalsContact O-N 3.16Å; S359-T362 WeakPolarHBondContact O-CB 3.41Å; S359-T362 PolarHBondContact O-N 2.89Å; S359-T362 PolarHBondContact O-OG1 3.37Å; S359-G385 PolarHBondContact OG-O 3.09Å; S359-K387 WeakPolarHBondContact OG-CE 3.38Å; S359-Y464 WeakPolarHBondContact O-CE1 2.72Å; S359-Y464 VanDerWaalsContact O-CZ 3.26Å; S359-Y464 PolarHBondContact O-OH 3.29Å |
| 360 | S | 82.8 | Confident | 93.4 | Very high | 31 Ų | 31 | 17.6 Ų | 17.6 | 22% | 0.217 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -57.7 | -28.4 | 172.7 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | A358 P564 | A358-S360 WeakPolarHBondContact CB-OG 2.95Å; A358-S360 PolarHBondContact O-N 3.27Å; A358-S360 VanDerWaalsContact O-N 3.07Å; S360-P564 VanDerWaalsContact O-CG 3.31Å; S360-P564 WeakPolarHBondContact O-CG 3.42Å |
| 361 | F | 91 | Very high | 93.6 | Very high | 27 Ų | 27 | 12.4 Ų | 12.4 | 12% | 0.118 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -81.4 | -13.4 | 177.3 | -70.8 | -76.5 | 0 | 0 | 0 | 114.5 | L356 A358 S359 K363 V364 A365 L516 P564 | L356-F361 HydrophobicContact CB-CB 3.72Å; L356-F361 HydrophobicContact CB-CD2 3.97Å; L356-F361 HydrophobicContact CB-CG 3.97Å; L356-F361 HydrophobicContact CD1-CB 3.6Å; L356-F361 HydrophobicContact CD1-CG 4.36Å; L356-F361 HydrophobicContact CG-CB 4.3Å; L356-F361 WeakPolarHBondContact O-CD2 3.39Å; L356-F361 VanDerWaalsContact O-CE2 3.29Å; L356-F361 WeakPolarHBondContact O-CE2 3.43Å; A358-F361 HydrophobicContact CB-CD2 4.47Å; A358-F361 PolarHBondContact O-N 2.98Å; A358-F361 VanDerWaalsContact O-N 3.14Å; S359-F361 PolarHBondContact O-N 3.39Å; S359-F361 VanDerWaalsContact O-N 3.16Å; F361-K363 PolarHBondContact O-N 3.09Å; F361-K363 VanDerWaalsContact O-N 3.13Å; F361-V364 PolarHBondContact O-N 3.05Å; F361-A365 PolarHBondContact O-N 3.22Å; F361-L516 WeakPolarHBondContact CE1-O 3.15Å; F361-P564 HydrophobicContact CD1-CB 4Å; F361-P564 HydrophobicContact CD1-CG 4.24Å; F361-P564 HydrophobicContact CE1-CB 4.09Å; F361-P564 HydrophobicContact CE1-CG 4.4Å |
| 362 | T | 93.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -51.5 | -40.8 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | S359 V364 A365 N366 D382 G385 Y464 | S359-T362 WeakPolarHBondContact O-CB 3.41Å; S359-T362 PolarHBondContact O-N 2.89Å; S359-T362 PolarHBondContact O-OG1 3.37Å; T362-V364 VanDerWaalsContact C-N 3.33Å; T362-V364 PolarHBondContact O-N 3.06Å; T362-A365 PolarHBondContact O-N 2.8Å; T362-N366 VanDerWaalsContact CG2-ND2 3.33Å; T362-N366 WeakPolarHBondContact CG2-ND2 3.44Å; T362-N366 VanDerWaalsContact O-CB 3.27Å; T362-N366 WeakPolarHBondContact O-CB 3.4Å; T362-N366 PolarHBondContact O-N 3.04Å; T362-N366 PolarHBondContact O-ND2 3.15Å; T362-D382 VanDerWaalsContact CG2-O 3.29Å; T362-D382 WeakPolarHBondContact CG2-O 3.37Å; T362-G385 WeakPolarHBondContact OG1-CA 3.15Å; T362-Y464 HydrophobicContact CG2-CD1 4.09Å; T362-Y464 HydrophobicContact CG2-CG 4.14Å |
| 363 | K | 95.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 12.3 Ų | 12.3 | 14% | 0.135 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 178.8 | -65.8 | -168.3 | -179.8 | 172.3 | 0 | 112.4 | F361 A367 S462 Y464 H467 S544 V566 | F361-K363 PolarHBondContact O-N 3.09Å; F361-K363 VanDerWaalsContact O-N 3.13Å; K363-A367 WeakPolarHBondContact O-CB 3.18Å; K363-A367 PolarHBondContact O-N 3.1Å; K363-S462 WeakPolarHBondContact CE-O 3.43Å; K363-S462 PolarHBondContact NZ-O 3.19Å; K363-Y464 HydrophobicContact CD-CD1 4.41Å; K363-Y464 HydrophobicContact CG-CD1 3.73Å; K363-Y464 HydrophobicContact CG-CE1 4.14Å; K363-H467 WeakPolarHBondContact CA-NE2 3.26Å; K363-H467 WeakPolarHBondContact CB-NE2 3.06Å; K363-H467 HydrophobicContact CD-CB 4.25Å; K363-H467 HydrophobicContact CG-CB 4.27Å; K363-H467 PolarHBondContact O-NE2 3.49Å; K363-S544 PolarHBondContact NZ-O 2.94Å; K363-V566 HydrophobicContact CB-CG2 4.29Å; K363-V566 VanDerWaalsContact O-CG2 3.29Å; K363-V566 WeakPolarHBondContact O-CG2 3.1Å |
| 364 | V | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.4 | -45 | -179.8 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | W314 F361 T362 N366 A367 L368 L514 L516 P564 V566 | W314-V364 HydrophobicContact CH2-CG1 4.25Å; F361-V364 PolarHBondContact O-N 3.05Å; T362-V364 VanDerWaalsContact C-N 3.33Å; T362-V364 PolarHBondContact O-N 3.06Å; V364-N366 VanDerWaalsContact C-N 3.34Å; V364-N366 PolarHBondContact O-N 2.97Å; V364-A367 PolarHBondContact O-N 2.88Å; V364-L368 PolarHBondContact O-N 3.49Å; V364-L514 HydrophobicContact CG1-CB 4.08Å; V364-L514 HydrophobicContact CG1-CD1 4.34Å; V364-L516 HydrophobicContact CG1-CD1 4.26Å; V364-L516 HydrophobicContact CG1-CG 4.01Å; V364-P564 HydrophobicContact CG2-CB 3.88Å; V364-V566 HydrophobicContact CB-CG2 4.42Å; V364-V566 HydrophobicContact CG2-CG2 3.9Å |
| 365 | A | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | W314 I352 L356 F361 T362 A367 L368 L369 | W314-A365 HydrophobicContact CH2-CB 4.19Å; W314-A365 HydrophobicContact CZ3-CB 3.88Å; I352-A365 HydrophobicContact CG1-CB 3.9Å; L356-A365 HydrophobicContact CD1-CB 4.11Å; F361-A365 PolarHBondContact O-N 3.22Å; T362-A365 PolarHBondContact O-N 2.8Å; A365-A367 PolarHBondContact O-N 3.17Å; A365-L368 PolarHBondContact O-N 3.16Å; A365-L369 WeakPolarHBondContact O-CB 3.35Å; A365-L369 PolarHBondContact O-N 3.07Å |
| 366 | N | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.5 | -35.7 | 178.3 | -70.6 | -16.2 | 0 | 0 | 0 | 112.5 | T362 V364 L370 D382 F468 L471 | T362-N366 VanDerWaalsContact CG2-ND2 3.33Å; T362-N366 WeakPolarHBondContact CG2-ND2 3.44Å; T362-N366 VanDerWaalsContact O-CB 3.27Å; T362-N366 WeakPolarHBondContact O-CB 3.4Å; T362-N366 PolarHBondContact O-N 3.04Å; T362-N366 PolarHBondContact O-ND2 3.15Å; V364-N366 VanDerWaalsContact C-N 3.34Å; V364-N366 PolarHBondContact O-N 2.97Å; N366-L370 VanDerWaalsContact O-CB 3.23Å; N366-L370 WeakPolarHBondContact O-CB 3.37Å; N366-L370 WeakPolarHBondContact O-CG 3.28Å; N366-L370 PolarHBondContact O-N 2.84Å; N366-D382 PolarHBondContact ND2-O 3.02Å; N366-F468 HydrophobicContact CB-CD2 3.9Å; N366-F468 HydrophobicContact CB-CE2 4.45Å; N366-L471 HydrophobicContact CB-CD1 4.1Å |
| 367 | A | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.7 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K363 V364 A365 L371 L471 L514 V566 | K363-A367 WeakPolarHBondContact O-CB 3.18Å; K363-A367 PolarHBondContact O-N 3.1Å; V364-A367 PolarHBondContact O-N 2.88Å; A365-A367 PolarHBondContact O-N 3.17Å; A367-L371 VanDerWaalsContact O-CB 3.24Å; A367-L371 WeakPolarHBondContact O-CB 3.35Å; A367-L371 WeakPolarHBondContact O-CG 3.41Å; A367-L371 PolarHBondContact O-N 2.84Å; A367-L371 VanDerWaalsContact O-N 3.12Å; A367-L471 HydrophobicContact CB-CD1 3.92Å; A367-L471 HydrophobicContact CB-CD2 4.08Å; A367-L514 HydrophobicContact CB-CD2 3.67Å; A367-V566 HydrophobicContact CB-CB 4.17Å; A367-V566 HydrophobicContact CB-CG1 3.45Å; A367-V566 VanDerWaalsContact CB-CG1 3.45Å; A367-V566 HydrophobicContact CB-CG2 3.58Å |
| 368 | L | 97.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62 | -52.8 | 174.4 | -173.2 | 62.2 | 0 | 0 | 0 | 110.4 | L311 W314 I327 V364 A365 L370 L372 L498 F500 L514 | L311-L368 HydrophobicContact CD1-CD2 4.38Å; W314-L368 HydrophobicContact CE3-CD2 4.31Å; W314-L368 HydrophobicContact CH2-CD2 3.94Å; W314-L368 HydrophobicContact CZ3-CB 4.44Å; W314-L368 HydrophobicContact CZ3-CD2 3.64Å; I327-L368 HydrophobicContact CD1-CD1 3.95Å; V364-L368 PolarHBondContact O-N 3.49Å; A365-L368 PolarHBondContact O-N 3.16Å; L368-L370 PolarHBondContact O-N 3.15Å; L368-L372 HydrophobicContact CD1-CD1 3.83Å; L368-L372 HydrophobicContact CD1-CD2 4.4Å; L368-L372 HydrophobicContact CD1-CG 4.04Å; L368-L372 HydrophobicContact CG-CD1 3.89Å; L368-L372 HydrophobicContact CG-CG 4.47Å; L368-L372 WeakPolarHBondContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CD1 3.13Å; L368-L372 WeakPolarHBondContact O-CG 3.15Å; L368-L372 PolarHBondContact O-N 3.47Å; L368-L498 HydrophobicContact CD1-CD1 4.21Å; L368-L498 HydrophobicContact CD1-CD2 4.27Å; L368-F500 HydrophobicContact CD1-CE1 4.03Å; L368-L514 HydrophobicContact CB-CD1 3.77Å; L368-L514 HydrophobicContact CD1-CD1 3.85Å; L368-L514 HydrophobicContact CG-CD1 4.35Å |
| 369 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -53.7 | -53 | 178.9 | 172.8 | 65.5 | 0 | 0 | 0 | 112.4 | W342 V344 A365 A376 C378 | W342-L369 HydrophobicContact CB-CD1 3.94Å; W342-L369 WeakPolarHBondContact O-CD1 3.16Å; V344-L369 HydrophobicContact CG1-CB 4.24Å; V344-L369 HydrophobicContact CG1-CD1 4.35Å; V344-L369 HydrophobicContact CG2-CB 4.49Å; V344-L369 HydrophobicContact CG2-CD1 4.49Å; V344-L369 HydrophobicContact CG2-CD2 3.94Å; A365-L369 WeakPolarHBondContact O-CB 3.35Å; A365-L369 PolarHBondContact O-N 3.07Å; L369-A376 HydrophobicContact CD1-CB 3.88Å; L369-A376 HydrophobicContact CG-CB 3.91Å; L369-C378 HydrophobicContact CD2-CB 4.43Å |
| 370 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -79.5 | -27.4 | -168.9 | -66.9 | 178 | 0 | 0 | 0 | 113.7 | I21 N366 L368 A376 F468 L471 L472 R475 | I21-L370 HydrophobicContact CG2-CD2 3.75Å; N366-L370 VanDerWaalsContact O-CB 3.23Å; N366-L370 WeakPolarHBondContact O-CB 3.37Å; N366-L370 WeakPolarHBondContact O-CG 3.28Å; N366-L370 PolarHBondContact O-N 2.84Å; L368-L370 PolarHBondContact O-N 3.15Å; L370-A376 HydrophobicContact CD2-CB 3.91Å; L370-F468 HydrophobicContact CD1-CD2 3.71Å; L370-F468 HydrophobicContact CD1-CE2 3.65Å; L370-F468 HydrophobicContact CD1-CG 4.23Å; L370-F468 HydrophobicContact CD1-CZ 4.13Å; L370-F468 HydrophobicContact CD2-CE2 4.18Å; L370-F468 HydrophobicContact CD2-CZ 4.2Å; L370-F468 HydrophobicContact CG-CE2 4.17Å; L370-L471 HydrophobicContact CB-CB 4.33Å; L370-L471 HydrophobicContact CD1-CB 3.49Å; L370-L471 VanDerWaalsContact CD1-CB 3.49Å; L370-L471 HydrophobicContact CD1-CD1 4.06Å; L370-L471 HydrophobicContact CD1-CG 4.47Å; L370-L472 HydrophobicContact CD1-CD2 4.13Å; L370-L472 HydrophobicContact CD1-CG 4.26Å; L370-L472 HydrophobicContact CD2-CD2 3.74Å; L370-R475 WeakPolarHBondContact O-CD 3.11Å; L370-R475 PolarHBondContact O-NH1 2.84Å |
| 371 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -103.4 | -3.8 | -173.5 | -55.1 | -177.5 | 0 | 0 | 0 | 113.8 | A367 L471 L474 F480 F500 R502 V512 V568 | A367-L371 VanDerWaalsContact O-CB 3.24Å; A367-L371 WeakPolarHBondContact O-CB 3.35Å; A367-L371 WeakPolarHBondContact O-CG 3.41Å; A367-L371 PolarHBondContact O-N 2.84Å; A367-L371 VanDerWaalsContact O-N 3.12Å; L371-L471 HydrophobicContact CD1-CD2 3.83Å; L371-L471 HydrophobicContact CG-CD2 4.23Å; L371-L474 HydrophobicContact CD2-CB 4.08Å; L371-F480 HydrophobicContact CB-CD1 4.19Å; L371-F480 HydrophobicContact CB-CE1 3.88Å; L371-F480 HydrophobicContact CD1-CE1 4.46Å; L371-F480 HydrophobicContact CD2-CD1 3.91Å; L371-F480 HydrophobicContact CD2-CE1 3.78Å; L371-F480 HydrophobicContact CD2-CG 4.43Å; L371-F480 HydrophobicContact CD2-CZ 4.18Å; L371-F480 HydrophobicContact CG-CE1 4.25Å; L371-F500 HydrophobicContact CB-CE2 4.4Å; L371-F500 HydrophobicContact CB-CZ 4.05Å; L371-F500 VanDerWaalsContact O-CE2 3.31Å; L371-F500 WeakPolarHBondContact O-CE2 3.49Å; L371-R502 PolarHBondContact O-NH1 2.94Å; L371-V512 HydrophobicContact CB-CG2 4.01Å; L371-V512 HydrophobicContact CD1-CB 4.48Å; L371-V512 HydrophobicContact CD1-CG1 3.93Å; L371-V512 HydrophobicContact CD1-CG2 3.66Å; L371-V512 HydrophobicContact CG-CG2 4.49Å; L371-V568 HydrophobicContact CD1-CG2 3.62Å |
| 372 | L | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -68.1 | 154.6 | 162.9 | -77 | 171.2 | 0 | 0 | 0 | 111.1 | L311 I327 W342 L368 V487 F500 R502 | L311-L372 HydrophobicContact CD1-CD1 4.2Å; I327-L372 HydrophobicContact CD1-CD1 4.17Å; I327-L372 HydrophobicContact CD1-CD2 4.14Å; I327-L372 HydrophobicContact CG1-CD1 4.1Å; I327-L372 HydrophobicContact CG1-CD2 4.29Å; I327-L372 HydrophobicContact CG2-CD2 3.82Å; W342-L372 HydrophobicContact CD2-CB 4.16Å; W342-L372 HydrophobicContact CD2-CD1 3.59Å; W342-L372 HydrophobicContact CD2-CG 4.47Å; W342-L372 HydrophobicContact CE3-CD1 3.85Å; W342-L372 HydrophobicContact CG-CB 4.04Å; W342-L372 HydrophobicContact CG-CD1 3.96Å; W342-L372 HydrophobicContact CH2-CD1 4.48Å; W342-L372 HydrophobicContact CZ2-CB 4.46Å; W342-L372 HydrophobicContact CZ2-CD1 4.26Å; W342-L372 HydrophobicContact CZ3-CD1 4.28Å; L368-L372 HydrophobicContact CD1-CD1 3.83Å; L368-L372 HydrophobicContact CD1-CD2 4.4Å; L368-L372 HydrophobicContact CD1-CG 4.04Å; L368-L372 HydrophobicContact CG-CD1 3.89Å; L368-L372 HydrophobicContact CG-CG 4.47Å; L368-L372 WeakPolarHBondContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CD1 3.13Å; L368-L372 WeakPolarHBondContact O-CG 3.15Å; L368-L372 PolarHBondContact O-N 3.47Å; L372-V487 HydrophobicContact CD2-CG2 4.26Å; L372-F500 HydrophobicContact CD2-CE1 4.47Å; L372-F500 HydrophobicContact CD2-CZ 4.33Å; L372-F500 HydrophobicContact CG-CZ 4.48Å; L372-R502 PolarHBondContact O-NH1 3.41Å |
| 373 | P | 95.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.008 | C | C | . | . | S | Bend | trans | -75.8 | 151.3 | -177.6 | 35.2 | -41.2 | 0 | 0 | 0 | 112.1 | S340 W342 S483 S484 V487 | S340-P373 WeakPolarHBondContact CB-O 3.1Å; W342-P373 PolarHBondContact NE1-O 2.83Å; P373-S483 VanDerWaalsContact CB-O 3.31Å; P373-S483 WeakPolarHBondContact CB-O 3.43Å; P373-S484 WeakPolarHBondContact CB-O 3.31Å; P373-S484 WeakPolarHBondContact CG-O 3.22Å; P373-V487 HydrophobicContact CG-CB 3.94Å; P373-V487 HydrophobicContact CG-CG1 3.9Å |
| 374 | G | 95.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 0.5 Ų | 0.5 | 2% | 0.021 | 0% | 0.003 | C | C | . | . | S | Bend | trans | 87.4 | -167.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S340 R475 S483 | S340-G374 CarbonylContact O-C 3.47Å; S340-G374 VanDerWaalsContact O-CA 3.22Å; S340-G374 WeakPolarHBondContact O-CA 3.38Å; G374-R475 PolarHBondContact O-NH1 3.05Å; G374-R475 VanDerWaalsContact O-NH1 3.14Å; G374-R475 PolarHBondContact O-NH2 2.64Å; G374-S483 PolarHBondContact N-O 2.9Å |
| 375 | T | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 0.5 Ų | 0.5 | 0% | 0 | 0% | 0.003 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.2 | -171.6 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | W17 I22 F305 W339 S340 N341 W342 I377 | W17-T375 PolarHBondContact O-OG1 2.95Å; I22-T375 HydrophobicContact CD1-CG2 4.11Å; I22-T375 HydrophobicContact CG1-CG2 3.96Å; F305-T375 HydrophobicContact CE1-CG2 4.18Å; F305-T375 HydrophobicContact CZ-CG2 4.02Å; W339-T375 PolarHBondContact NE1-OG1 3.26Å; S340-T375 PolarHBondContact O-N 2.6Å; N341-T375 CarbonylContact C-O 3.57Å; N341-T375 WeakPolarHBondContact CA-O 3.46Å; N341-T375 WeakPolarHBondContact CB-O 3.38Å; W342-T375 PolarHBondContact N-O 2.86Å; T375-I377 HydrophobicContact CG2-CD1 4.13Å |
| 376 | A | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.006 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I21 I22 L369 L370 | I21-A376 WeakPolarHBondContact CA-O 3.47Å; I21-A376 HydrophobicContact CB-CB 4.37Å; I21-A376 WeakPolarHBondContact CB-O 3.3Å; I21-A376 HydrophobicContact CG2-CB 3.87Å; I22-A376 PolarHBondContact N-O 3.3Å; L369-A376 HydrophobicContact CD1-CB 3.88Å; L369-A376 HydrophobicContact CG-CB 3.91Å; L370-A376 HydrophobicContact CD2-CB 3.91Å |
| 377 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.6 | 173.1 | -44.5 | -59.8 | 0 | 0 | 0 | 108.2 | I22 W60 F305 L307 W342 V343 T375 | I22-I377 HydrophobicContact CB-CD1 3.68Å; I22-I377 HydrophobicContact CD1-CD1 3.79Å; I22-I377 HydrophobicContact CG1-CD1 4.05Å; I22-I377 HydrophobicContact CG2-CD1 4.42Å; I22-I377 WeakPolarHBondContact O-CA 3.11Å; W60-I377 HydrophobicContact CE3-CG2 4.18Å; W60-I377 HydrophobicContact CZ3-CG2 4.13Å; F305-I377 HydrophobicContact CE2-CD1 4.24Å; F305-I377 HydrophobicContact CZ-CD1 4.1Å; L307-I377 HydrophobicContact CD2-CD1 4.42Å; L307-I377 HydrophobicContact CD2-CG1 3.89Å; W342-I377 PolarHBondContact O-N 2.77Å; V343-I377 HydrophobicContact CG1-CB 4.45Å; V343-I377 HydrophobicContact CG2-CB 3.97Å; V343-I377 HydrophobicContact CG2-CG1 3.84Å; T375-I377 HydrophobicContact CG2-CD1 4.13Å |
| 378 | C | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.2 | -178.6 | -175 | 0 | 0 | 0 | 0 | 109.7 | I21 I22 Y23 Q24 L369 F468 | I21-C378 HydrophobicContact CD1-CB 3.98Å; I22-C378 PolarHBondContact O-N 2.98Å; Y23-C378 CarbonylContact C-O 3.5Å; Y23-C378 WeakPolarHBondContact CA-O 3.36Å; Y23-C378 HydrophobicContact CD2-CB 4.37Å; Q24-C378 PolarHBondContact N-O 3.13Å; L369-C378 HydrophobicContact CD2-CB 4.43Å; C378-F468 HydrophobicContact CB-CZ 4.13Å; C378-F468 VanDerWaalsContact SG-CZ 3.57Å |
| 379 | Y | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 0% | 0.004 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 141.2 | 171 | -174.6 | -129.7 | 0 | 0 | 0 | 110.7 | Q24 N346 H347 G381 D382 C419 | Q24-Y379 HydrophobicContact CB-CD2 4.21Å; Q24-Y379 HydrophobicContact CG-CD2 3.93Å; Q24-Y379 HydrophobicContact CG-CE2 4.4Å; Q24-Y379 VanDerWaalsContact OE1-CD2 3.31Å; N346-Y379 WeakPolarHBondContact O-CE1 3.41Å; H347-Y379 WeakPolarHBondContact CA-OH 3.42Å; H347-Y379 HydrophobicContact CB-CE2 3.77Å; H347-Y379 WeakPolarHBondContact CB-OH 3.48Å; Y379-G381 PolarHBondContact O-N 3.24Å; Y379-D382 VanDerWaalsContact O-CB 3.29Å; Y379-D382 WeakPolarHBondContact O-CB 3.43Å; Y379-D382 PolarHBondContact O-N 2.93Å; Y379-D382 VanDerWaalsContact O-N 3.07Å; Y379-C419 PolarHBondContact OH-O 2.97Å |
| 380 | Y | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 137.9 | -177.2 | 83.3 | -78.1 | 0 | 0 | 0 | 112 | Y23 Q24 S29 F30 R351 D382 R420 A421 L423 | Y23-Y380 WeakPolarHBondContact OH-CA 3.13Å; Y23-Y380 WeakPolarHBondContact OH-CB 3.37Å; Q24-Y380 WeakPolarHBondContact O-CB 3.48Å; Q24-Y380 PolarHBondContact O-N 2.82Å; S29-Y380 WeakPolarHBondContact CB-OH 3.26Å; F30-Y380 HydrophobicContact CD2-CD2 4.49Å; R351-Y380 PolarHBondContact NH1-O 2.89Å; R351-Y380 VanDerWaalsContact NH2-CZ 3.34Å; R351-Y380 PolarHBondContact NH2-O 3.34Å; R351-Y380 PolarHBondContact NH2-OH 3.08Å; Y380-D382 VanDerWaalsContact C-N 3.26Å; Y380-D382 PolarHBondContact O-N 3.32Å; Y380-R420 PolarHBondContact OH-O 3.2Å; Y380-A421 PolarHBondContact OH-O 2.93Å; Y380-L423 HydrophobicContact CD2-CB 4.01Å; Y380-L423 HydrophobicContact CD2-CD1 3.93Å; Y380-L423 HydrophobicContact CD2-CD2 4.29Å; Y380-L423 HydrophobicContact CD2-CG 4.3Å; Y380-L423 HydrophobicContact CE2-CB 3.99Å; Y380-L423 HydrophobicContact CE2-CD1 4.36Å |
| 381 | G | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -15.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y379 E383 L384 G385 M386 | Y379-G381 PolarHBondContact O-N 3.24Å; G381-E383 VanDerWaalsContact C-N 3.25Å; G381-E383 WeakPolarHBondContact CA-OE2 3.36Å; G381-E383 PolarHBondContact N-OE1 3.43Å; G381-E383 PolarHBondContact N-OE2 3.21Å; G381-E383 PolarHBondContact O-N 3.21Å; G381-L384 CarbonylContact O-C 3.5Å; G381-L384 WeakPolarHBondContact O-CA 3.41Å; G381-L384 WeakPolarHBondContact O-CB 3.31Å; G381-L384 PolarHBondContact O-N 2.83Å; G381-G385 PolarHBondContact O-N 3.31Å; G381-G385 VanDerWaalsContact O-N 3.13Å; G381-M386 WeakPolarHBondContact O-CB 3.27Å; G381-M386 PolarHBondContact O-N 3.15Å |
| 382 | D | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -66.8 | -30.3 | 174.1 | -75.1 | -6.2 | 0 | 0 | 0 | 111.3 | R351 I352 T362 N366 Y379 Y380 L384 G385 | R351-D382 IonicContact NH1-OD1 3.85Å; I352-D382 HydrophobicContact CG2-CB 4.32Å; T362-D382 VanDerWaalsContact CG2-O 3.29Å; T362-D382 WeakPolarHBondContact CG2-O 3.37Å; N366-D382 PolarHBondContact ND2-O 3.02Å; Y379-D382 VanDerWaalsContact O-CB 3.29Å; Y379-D382 WeakPolarHBondContact O-CB 3.43Å; Y379-D382 PolarHBondContact O-N 2.93Å; Y379-D382 VanDerWaalsContact O-N 3.07Å; Y380-D382 VanDerWaalsContact C-N 3.26Å; Y380-D382 PolarHBondContact O-N 3.32Å; D382-L384 PolarHBondContact O-N 2.88Å; D382-G385 PolarHBondContact O-N 3.49Å |
| 383 | E | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -64.7 | -27.2 | 170.6 | 77.4 | -73.1 | -177.3 | 0 | 0 | 112.8 | Y23 Y50 G381 Y464 L465 F468 | Y23-E383 HydrophobicContact CE2-CG 4.49Å; Y23-E383 PolarHBondContact OH-OE1 3.48Å; Y23-E383 PolarHBondContact OH-OE2 2.98Å; Y50-E383 PolarHBondContact OH-OE1 2.88Å; Y50-E383 VanDerWaalsContact OH-OE1 3.04Å; G381-E383 VanDerWaalsContact C-N 3.25Å; G381-E383 WeakPolarHBondContact CA-OE2 3.36Å; G381-E383 PolarHBondContact N-OE1 3.43Å; G381-E383 PolarHBondContact N-OE2 3.21Å; G381-E383 PolarHBondContact O-N 3.21Å; E383-Y464 CarbonylContact O-C 3.55Å; E383-Y464 WeakPolarHBondContact O-CB 3.43Å; E383-L465 HydrophobicContact CB-CD1 4.5Å; E383-L465 HydrophobicContact CG-CD1 3.72Å; E383-L465 PolarHBondContact O-N 2.94Å; E383-F468 HydrophobicContact CB-CB 4.04Å; E383-F468 HydrophobicContact CB-CD1 3.64Å; E383-F468 HydrophobicContact CB-CD2 3.71Å; E383-F468 HydrophobicContact CB-CE1 3.9Å; E383-F468 HydrophobicContact CB-CE2 3.98Å; E383-F468 HydrophobicContact CB-CG 3.54Å; E383-F468 HydrophobicContact CB-CZ 4.07Å |
| 384 | L | 96 | Very high | 94.7 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -87.1 | -13 | 178.1 | -59.2 | 179.9 | 0 | 0 | 0 | 112.4 | G381 D382 M386 L423 L452 V454 Q457 Y464 L465 | G381-L384 CarbonylContact O-C 3.5Å; G381-L384 WeakPolarHBondContact O-CA 3.41Å; G381-L384 WeakPolarHBondContact O-CB 3.31Å; G381-L384 PolarHBondContact O-N 2.83Å; D382-L384 PolarHBondContact O-N 2.88Å; L384-M386 VanDerWaalsContact C-N 3.35Å; L384-L423 HydrophobicContact CD1-CD1 3.45Å; L384-L423 VanDerWaalsContact CD1-CD1 3.45Å; L384-L423 HydrophobicContact CD1-CG 4.33Å; L384-L452 VanDerWaalsContact O-CD1 3.31Å; L384-L452 WeakPolarHBondContact O-CD1 3.21Å; L384-V454 HydrophobicContact CD1-CG2 3.81Å; L384-V454 HydrophobicContact CD2-CG2 4.18Å; L384-Q457 PolarHBondContact O-NE2 3.39Å; L384-Y464 VanDerWaalsContact O-CD2 3.28Å; L384-Y464 WeakPolarHBondContact O-CD2 3.45Å; L384-L465 HydrophobicContact CD2-CB 4.01Å; L384-L465 HydrophobicContact CD2-CD1 3.87Å; L384-L465 HydrophobicContact CD2-CD2 4.06Å; L384-L465 HydrophobicContact CD2-CG 4.2Å |
| 385 | G | 94.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 29.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S359 T362 G381 D382 | S359-G385 PolarHBondContact OG-O 3.09Å; T362-G385 WeakPolarHBondContact OG1-CA 3.15Å; G381-G385 PolarHBondContact O-N 3.31Å; G381-G385 VanDerWaalsContact O-N 3.13Å; D382-G385 PolarHBondContact O-N 3.49Å |
| 386 | M | 94.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 134.4 | 175.9 | -171.3 | 169.5 | 172.4 | 0 | 0 | 110.3 | R351 A353 G381 L384 V389 A421 L423 | R351-M386 WeakPolarHBondContact CD-O 3.42Å; R351-M386 PolarHBondContact NH2-SD 3.24Å; A353-M386 WeakPolarHBondContact CB-O 3.47Å; G381-M386 WeakPolarHBondContact O-CB 3.27Å; G381-M386 PolarHBondContact O-N 3.15Å; L384-M386 VanDerWaalsContact C-N 3.35Å; M386-V389 HydrophobicContact CE-CG2 4.43Å; M386-A421 HydrophobicContact CE-CB 3.83Å; M386-A421 WeakPolarHBondContact CE-O 3.41Å; M386-L423 HydrophobicContact SD-CD1 4.34Å |
| 387 | K | 93.5 | Very high | 94.2 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 40% | 0.4 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -101 | 165.6 | 173.2 | -63.5 | -178.4 | -176.4 | 179.7 | 0 | 109.5 | R351 A353 S359 V389 | R351-K387 VanDerWaalsContact CD-C 3.41Å; R351-K387 WeakPolarHBondContact CD-O 3.47Å; A353-K387 HydrophobicContact CB-CG 3.97Å; S359-K387 WeakPolarHBondContact OG-CE 3.38Å; K387-V389 PolarHBondContact O-N 3.04Å |
| 388 | D | 93.4 | Very high | 94 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 137.4 | 168 | -66.9 | -28.8 | 0 | 0 | 0 | 109.5 | M350 R351 S354 P418 C419 | M350-D388 VanDerWaalsContact CB-OD2 3.3Å; M350-D388 WeakPolarHBondContact CB-OD2 3.38Å; M350-D388 WeakPolarHBondContact CE-OD2 3.33Å; R351-D388 WeakPolarHBondContact CB-OD1 3.29Å; R351-D388 WeakPolarHBondContact CG-OD1 3.35Å; R351-D388 PolarHBondContact N-OD1 3.05Å; R351-D388 PolarHBondContact N-OD2 2.93Å; S354-D388 WeakPolarHBondContact CB-OD2 3.5Å; S354-D388 WeakPolarHBondContact OG-CB 3.2Å; S354-D388 PolarHBondContact OG-N 3.3Å; S354-D388 PolarHBondContact OG-OD2 3.47Å; D388-P418 WeakPolarHBondContact CA-O 3.46Å; D388-P418 HydrophobicContact CB-CB 3.75Å; D388-C419 WeakPolarHBondContact OD1-CA 3.39Å; D388-C419 WeakPolarHBondContact OD1-CB 3.33Å |
| 389 | V | 92.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -89 | 139.9 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | M386 K387 V391 P418 A421 P444 M445 T446 | M386-V389 HydrophobicContact CE-CG2 4.43Å; K387-V389 PolarHBondContact O-N 3.04Å; V389-V391 PolarHBondContact O-N 3.37Å; V389-P418 PolarHBondContact N-O 3.44Å; V389-P418 VanDerWaalsContact O-CB 3.31Å; V389-P418 WeakPolarHBondContact O-CB 3.37Å; V389-A421 HydrophobicContact CB-CB 3.71Å; V389-A421 HydrophobicContact CG2-CB 3.4Å; V389-P444 HydrophobicContact CG1-CB 4.11Å; V389-P444 WeakPolarHBondContact CG1-O 3.45Å; V389-M445 WeakPolarHBondContact CG1-O 3.19Å; V389-T446 WeakPolarHBondContact CG2-OG1 3.37Å |
| 390 | H | 90.8 | Very high | 93 | Very high | 140 Ų | 140 | 37.9 Ų | 37.9 | 65% | 0.648 | 19% | 0.187 | S | C | * | . | P | Polyproline II helix | trans | -67.1 | 119.1 | 169.9 | 175.7 | 63.8 | 0 | 0 | 0 | 110 | ||
| 391 | V | 91.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | trans | -106.9 | 113.6 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | V389 A395 I396 D417 P418 P444 | V389-V391 PolarHBondContact O-N 3.37Å; V391-A395 HydrophobicContact CG1-CB 4.09Å; V391-I396 HydrophobicContact CG1-CG1 3.86Å; V391-D417 HydrophobicContact CG1-CB 4.4Å; V391-D417 HydrophobicContact CG2-CB 3.98Å; V391-P418 HydrophobicContact CG2-CG 4.21Å; V391-P444 HydrophobicContact CG1-CG 4.29Å | ||
| 392 | P | 89.8 | Confident | 91.9 | Very high | 36 Ų | 36 | 42.3 Ų | 42.3 | 23% | 0.234 | 21% | 0.21 | C | C | . | . | trans | -69.6 | 156.6 | 176 | 32.5 | -36.5 | 0 | 0 | 0 | 110.3 | E394 A395 I396 | P392-E394 WeakPolarHBondContact CB-OE1 3.26Å; P392-E394 PolarHBondContact O-N 3.3Å; P392-E394 VanDerWaalsContact O-N 3.17Å; P392-A395 HydrophobicContact CG-CB 3.73Å; P392-A395 WeakPolarHBondContact O-CA 3.49Å; P392-A395 PolarHBondContact O-N 2.84Å; P392-I396 PolarHBondContact O-N 3.31Å | ||
| 393 | I | 88.2 | Confident | 91 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 48% | 0.482 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -52.9 | -43.5 | -170.6 | -72.8 | 167.2 | 0 | 0 | 0 | 112.1 | A395 I396 L405 | I393-A395 PolarHBondContact O-N 2.89Å; I393-I396 PolarHBondContact O-N 3.22Å; I393-L405 HydrophobicContact CG2-CD1 4.29Å |
| 394 | E | 89.2 | Confident | 89.9 | Confident | 162 Ų | 162 | 51.2 Ų | 51.2 | 76% | 0.757 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -68.5 | -15.8 | -179.7 | 66.6 | -83.5 | -168.4 | 0 | 0 | 114.3 | P392 | P392-E394 WeakPolarHBondContact CB-OE1 3.26Å; P392-E394 PolarHBondContact O-N 3.3Å; P392-E394 VanDerWaalsContact O-N 3.17Å |
| 395 | A | 92 | Very high | 88.8 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -103.6 | 0.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V391 P392 I393 K397 P444 | V391-A395 HydrophobicContact CG1-CB 4.09Å; P392-A395 HydrophobicContact CG-CB 3.73Å; P392-A395 WeakPolarHBondContact O-CA 3.49Å; P392-A395 PolarHBondContact O-N 2.84Å; I393-A395 PolarHBondContact O-N 2.89Å; A395-K397 PolarHBondContact O-N 3.04Å; A395-P444 HydrophobicContact CB-CG 3.94Å |
| 396 | I | 92.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | trans | -68.4 | 132.2 | 177.5 | -63.4 | 166.3 | 0 | 0 | 0 | 109.1 | V391 P392 I393 I402 L405 D417 | V391-I396 HydrophobicContact CG1-CG1 3.86Å; P392-I396 PolarHBondContact O-N 3.31Å; I393-I396 PolarHBondContact O-N 3.22Å; I396-I402 HydrophobicContact CG2-CG1 3.94Å; I396-L405 HydrophobicContact CD1-CD1 3.23Å; I396-D417 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 397 | K | 94 | Very high | 85.9 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | trans | -120.4 | -25.6 | 178.8 | -64.9 | -172.3 | 173.2 | -175.1 | 0 | 112 | F72 A395 D417 W442 L443 | F72-K397 HydrophobicContact CE1-CB 4.12Å; F72-K397 HydrophobicContact CZ-CB 3.74Å; F72-K397 WeakPolarHBondContact CZ-O 3.34Å; A395-K397 PolarHBondContact O-N 3.04Å; K397-D417 PolarHBondContact N-OD2 3.43Å; K397-W442 HydrophobicContact CD-CE3 3.95Å; K397-W442 HydrophobicContact CD-CZ3 4.35Å; K397-W442 WeakPolarHBondContact CD-O 3.38Å; K397-W442 WeakPolarHBondContact CE-O 3.3Å; K397-W442 PolarHBondContact NZ-O 3.17Å; K397-L443 HydrophobicContact CB-CD2 4.48Å; K397-L443 HydrophobicContact CD-CD2 4.3Å; K397-L443 HydrophobicContact CG-CD2 4.37Å | ||
| 398 | D | 93.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -64.5 | 125.3 | -177.6 | 178.9 | 46.9 | 0 | 0 | 0 | 111 | F72 Y400 G401 I402 G415 R416 D417 R420 | F72-D398 HydrophobicContact CE2-CB 4.24Å; D398-Y400 PolarHBondContact O-N 3.21Å; D398-Y400 WeakPolarHBondContact OD2-CB 3.32Å; D398-G401 WeakPolarHBondContact O-CA 3.46Å; D398-G401 PolarHBondContact O-N 3.13Å; D398-G401 PolarHBondContact OD2-N 3.03Å; D398-I402 WeakPolarHBondContact O-CG1 3.32Å; D398-I402 PolarHBondContact O-N 3.38Å; D398-G415 WeakPolarHBondContact OD2-CA 2.92Å; D398-R416 IonicContact OD1-CZ 2.66Å; D398-R416 IonicContact OD1-NE 3.69Å; D398-R416 PolarHBondContact OD1-NE 3.45Å; D398-R416 VanDerWaalsContact OD1-NE 3.09Å; D398-R416 IonicContact OD1-NH2 3.9Å; D398-R416 PolarHBondContact OD1-NH2 3.33Å; D398-R416 PolarHBondContact OD2-N 2.91Å; D398-R416 IonicContact OD2-NE 2.73Å; D398-D417 WeakPolarHBondContact CB-OD1 3.24Å; D398-D417 WeakPolarHBondContact CB-OD2 3.28Å; D398-D417 PolarHBondContact N-OD1 3.45Å; D398-D417 PolarHBondContact N-OD2 3.24Å; D398-R420 IonicContact OD1-NH1 3.07Å | ||
| 399 | P | 90 | Very high | 82.6 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.5 | -29.6 | -177.5 | 21.7 | -33.9 | 0 | 0 | 0 | 113 | V70 L179 R403 | V70-P399 WeakPolarHBondContact O-CG 3.4Å; L179-P399 HydrophobicContact CD1-CB 4.09Å; L179-P399 HydrophobicContact CD1-CG 3.84Å; L179-P399 HydrophobicContact CD2-CB 4.02Å; L179-P399 HydrophobicContact CD2-CG 4.42Å; P399-R403 VanDerWaalsContact O-CB 3.32Å; P399-R403 WeakPolarHBondContact O-CB 3.24Å; P399-R403 PolarHBondContact O-N 3.3Å |
| 400 | Y | 86 | Confident | 81 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -45.2 | 173.8 | -64.4 | -116.7 | 0 | 0 | 0 | 110.8 | I159 F178 D398 N404 R416 | I159-Y400 HydrophobicContact CB-CD1 4.06Å; I159-Y400 HydrophobicContact CB-CE1 3.79Å; I159-Y400 HydrophobicContact CD1-CD1 3.94Å; I159-Y400 HydrophobicContact CD1-CD2 3.76Å; I159-Y400 HydrophobicContact CD1-CE1 4.22Å; I159-Y400 HydrophobicContact CD1-CE2 4.03Å; I159-Y400 HydrophobicContact CD1-CG 3.69Å; I159-Y400 HydrophobicContact CG1-CD1 3.7Å; I159-Y400 HydrophobicContact CG1-CD2 4.44Å; I159-Y400 HydrophobicContact CG1-CE1 3.95Å; I159-Y400 HydrophobicContact CG1-CG 3.95Å; F178-Y400 WeakPolarHBondContact CD1-OH 3.32Å; D398-Y400 PolarHBondContact O-N 3.21Å; D398-Y400 WeakPolarHBondContact OD2-CB 3.32Å; Y400-N404 WeakPolarHBondContact O-CB 3.46Å; Y400-N404 VanDerWaalsContact O-CG 3.27Å; Y400-N404 PolarHBondContact O-N 2.76Å; Y400-N404 VanDerWaalsContact O-N 3.12Å; Y400-N404 PolarHBondContact O-ND2 2.99Å; Y400-R416 VanDerWaalsContact CE2-CZ 3.48Å |
| 401 | G | 86 | Confident | 79.3 | Confident | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -52.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D398 R403 N404 L405 T414 | D398-G401 WeakPolarHBondContact O-CA 3.46Å; D398-G401 PolarHBondContact O-N 3.13Å; D398-G401 PolarHBondContact OD2-N 3.03Å; G401-R403 VanDerWaalsContact C-N 3.34Å; G401-R403 PolarHBondContact O-N 3.4Å; G401-N404 PolarHBondContact O-N 3.47Å; G401-L405 WeakPolarHBondContact O-CG 3.42Å; G401-L405 PolarHBondContact O-N 2.83Å; G401-T414 WeakPolarHBondContact CA-O 3.25Å; G401-T414 PolarHBondContact N-O 3.28Å |
| 402 | I | 87.5 | Confident | 77.6 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | -178.1 | -65.4 | 171.6 | 0 | 0 | 0 | 111 | I396 D398 L405 A406 | I396-I402 HydrophobicContact CG2-CG1 3.94Å; D398-I402 WeakPolarHBondContact O-CG1 3.32Å; D398-I402 PolarHBondContact O-N 3.38Å; I402-L405 PolarHBondContact O-N 2.84Å; I402-A406 PolarHBondContact O-N 3.09Å |
| 403 | R | 78.2 | Confident | 75.9 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 43% | 0.426 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | -178.5 | -169.2 | -175.8 | -172.8 | 174.4 | -3.1 | 112.5 | I159 G160 P399 G401 L405 A406 | I159-R403 HydrophobicContact CD1-CB 4.49Å; I159-R403 PolarHBondContact O-NH1 3.45Å; I159-R403 VanDerWaalsContact O-NH1 3.08Å; G160-R403 PolarHBondContact O-NH1 2.82Å; G160-R403 PolarHBondContact O-NH2 2.94Å; P399-R403 VanDerWaalsContact O-CB 3.32Å; P399-R403 WeakPolarHBondContact O-CB 3.24Å; P399-R403 PolarHBondContact O-N 3.3Å; G401-R403 VanDerWaalsContact C-N 3.34Å; G401-R403 PolarHBondContact O-N 3.4Å; R403-L405 PolarHBondContact O-N 2.83Å; R403-A406 WeakPolarHBondContact O-CB 3.48Å; R403-A406 PolarHBondContact O-N 2.95Å; R403-A406 VanDerWaalsContact O-N 3.14Å |
| 404 | N | 73.7 | Confident | 75 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -32.8 | 179.3 | -75 | -39.8 | 0 | 0 | 0 | 112 | Y400 G401 T414 | Y400-N404 WeakPolarHBondContact O-CB 3.46Å; Y400-N404 VanDerWaalsContact O-CG 3.27Å; Y400-N404 PolarHBondContact O-N 2.76Å; Y400-N404 VanDerWaalsContact O-N 3.12Å; Y400-N404 PolarHBondContact O-ND2 2.99Å; G401-N404 PolarHBondContact O-N 3.47Å; N404-T414 WeakPolarHBondContact CB-OG1 3.46Å; N404-T414 VanDerWaalsContact CG-OG1 3.23Å; N404-T414 PolarHBondContact ND2-O 3.06Å; N404-T414 PolarHBondContact ND2-OG1 2.95Å |
| 405 | L | 72.6 | Confident | 74.8 | Confident | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -77.2 | -23.5 | 175.9 | -68.9 | 172.8 | 0 | 0 | 0 | 114.1 | I393 I396 G401 I402 R403 G407 N408 | I393-L405 HydrophobicContact CG2-CD1 4.29Å; I396-L405 HydrophobicContact CD1-CD1 3.23Å; G401-L405 WeakPolarHBondContact O-CG 3.42Å; G401-L405 PolarHBondContact O-N 2.83Å; I402-L405 PolarHBondContact O-N 2.84Å; R403-L405 PolarHBondContact O-N 2.83Å; L405-G407 PolarHBondContact O-N 3.45Å; L405-N408 PolarHBondContact O-N 3.17Å; L405-N408 VanDerWaalsContact O-N 3.12Å |
| 406 | A | 68.7 | Low | 74.9 | Confident | 89 Ų | 89 | 61 Ų | 61 | 74% | 0.736 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | I402 R403 | I402-A406 PolarHBondContact O-N 3.09Å; R403-A406 WeakPolarHBondContact O-CB 3.48Å; R403-A406 PolarHBondContact O-N 2.95Å; R403-A406 VanDerWaalsContact O-N 3.14Å |
| 407 | G | 59.1 | Low | 75.1 | Confident | 77 Ų | 77 | 60 Ų | 60 | 79% | 0.794 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -7.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L405 | L405-G407 PolarHBondContact O-N 3.45Š|
| 408 | N | 60 | Low | 75.1 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | trans | -163.1 | 106 | -176.6 | -176.9 | 5 | 0 | 0 | 0 | 111.1 | L405 D410 A411 | L405-N408 PolarHBondContact O-N 3.17Å; L405-N408 VanDerWaalsContact O-N 3.12Å; N408-D410 PolarHBondContact O-N 3.13Å; N408-D410 WeakPolarHBondContact OD1-CA 3.12Å; N408-D410 WeakPolarHBondContact OD1-CB 2.95Å; N408-D410 PolarHBondContact OD1-N 3.39Å; N408-A411 HydrophobicContact CB-CB 4.08Å; N408-A411 VanDerWaalsContact O-CB 3.24Å; N408-A411 WeakPolarHBondContact O-CB 3.47Å; N408-A411 PolarHBondContact O-N 3.16Å; N408-A411 VanDerWaalsContact O-N 3.08Å; N408-A411 PolarHBondContact OD1-N 2.93Å | ||
| 409 | S | 58.4 | Low | 75.2 | Confident | 85 Ų | 85 | 57 Ų | 57 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.4 | 176.1 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 410 | D | 58.3 | Low | 75.5 | Confident | 144 Ų | 144 | 56.1 Ų | 56.1 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 1.8 | 175.7 | -59.2 | -35.5 | 0 | 0 | 0 | 112.4 | N408 | N408-D410 PolarHBondContact O-N 3.13Å; N408-D410 WeakPolarHBondContact OD1-CA 3.12Å; N408-D410 WeakPolarHBondContact OD1-CB 2.95Å; N408-D410 PolarHBondContact OD1-N 3.39Å |
| 411 | A | 55.2 | Low | 76 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -60.3 | 142.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N408 Q413 | N408-A411 HydrophobicContact CB-CB 4.08Å; N408-A411 VanDerWaalsContact O-CB 3.24Å; N408-A411 WeakPolarHBondContact O-CB 3.47Å; N408-A411 PolarHBondContact O-N 3.16Å; N408-A411 VanDerWaalsContact O-N 3.08Å; N408-A411 PolarHBondContact OD1-N 2.93Å; A411-Q413 PolarHBondContact O-N 3.21Å |
| 412 | P | 56.4 | Low | 76.5 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | trans | -54 | 142.5 | 171.3 | 21.7 | -29.8 | 0 | 0 | 0 | 109.4 | T414 | P412-T414 VanDerWaalsContact C-N 3.29Å; P412-T414 HydrophobicContact CB-CG2 4.38Å; P412-T414 HydrophobicContact CG-CG2 4.14Å; P412-T414 PolarHBondContact O-N 3.09Å; P412-T414 PolarHBondContact O-OG1 3.27Å | ||
| 413 | Q | 55.2 | Low | 76.9 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | trans | -63.2 | 92.1 | 174.5 | -69.9 | -61.7 | -24.3 | 0 | 0 | 109.4 | A411 | A411-Q413 PolarHBondContact O-N 3.21Š| ||
| 414 | T | 69.5 | Low | 77.8 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | trans | -103.7 | 100.2 | -179.6 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | G401 N404 P412 | G401-T414 WeakPolarHBondContact CA-O 3.25Å; G401-T414 PolarHBondContact N-O 3.28Å; N404-T414 WeakPolarHBondContact CB-OG1 3.46Å; N404-T414 VanDerWaalsContact CG-OG1 3.23Å; N404-T414 PolarHBondContact ND2-O 3.06Å; N404-T414 PolarHBondContact ND2-OG1 2.95Å; P412-T414 VanDerWaalsContact C-N 3.29Å; P412-T414 HydrophobicContact CB-CG2 4.38Å; P412-T414 HydrophobicContact CG-CG2 4.14Å; P412-T414 PolarHBondContact O-N 3.09Å; P412-T414 PolarHBondContact O-OG1 3.27Å | ||
| 415 | G | 84.7 | Confident | 78.9 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -175.3 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D398 | D398-G415 WeakPolarHBondContact OD2-CA 2.92Š|
| 416 | R | 93.9 | Very high | 79.9 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -99.8 | -8 | -172.2 | -58.3 | 168.3 | -62.8 | 166.2 | 4.3 | 113.1 | D71 D348 D398 Y400 P418 C419 R420 | D71-R416 IonicContact OD1-CZ 3.75Å; D71-R416 IonicContact OD1-NH1 2.69Å; D71-R416 IonicContact OD1-NH2 2.89Å; D71-R416 PolarHBondContact OD1-NH2 2.63Å; D71-R416 IonicContact OD2-NH1 2.65Å; D71-R416 IonicContact OD2-NH2 3.86Å; D348-R416 WeakPolarHBondContact OD1-CD 3.41Å; D348-R416 IonicContact OD1-NH1 3.32Å; D398-R416 IonicContact OD1-CZ 2.66Å; D398-R416 IonicContact OD1-NE 3.69Å; D398-R416 PolarHBondContact OD1-NE 3.45Å; D398-R416 VanDerWaalsContact OD1-NE 3.09Å; D398-R416 IonicContact OD1-NH2 3.9Å; D398-R416 PolarHBondContact OD1-NH2 3.33Å; D398-R416 PolarHBondContact OD2-N 2.91Å; D398-R416 IonicContact OD2-NE 2.73Å; Y400-R416 VanDerWaalsContact CE2-CZ 3.48Å; R416-P418 VanDerWaalsContact C-CD 3.47Å; R416-C419 PolarHBondContact O-N 2.88Å; R416-C419 PolarHBondContact O-SG 3.19Å; R416-R420 VanDerWaalsContact CD-NH2 3.33Å; R416-R420 WeakPolarHBondContact O-CB 3.33Å; R416-R420 WeakPolarHBondContact O-CD 3.36Å; R416-R420 WeakPolarHBondContact O-CG 3.5Å; R416-R420 PolarHBondContact O-N 3.45Å |
| 417 | D | 95.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -44.2 | 177.3 | -69.9 | -30.6 | 0 | 0 | 0 | 113.9 | V391 I396 K397 D398 C419 R420 A421 L443 | V391-D417 HydrophobicContact CG1-CB 4.4Å; V391-D417 HydrophobicContact CG2-CB 3.98Å; I396-D417 WeakPolarHBondContact CA-OD2 3.38Å; K397-D417 PolarHBondContact N-OD2 3.43Å; D398-D417 WeakPolarHBondContact CB-OD1 3.24Å; D398-D417 WeakPolarHBondContact CB-OD2 3.28Å; D398-D417 PolarHBondContact N-OD1 3.45Å; D398-D417 PolarHBondContact N-OD2 3.24Å; D417-C419 VanDerWaalsContact C-N 3.3Å; D417-C419 PolarHBondContact O-N 3.47Å; D417-R420 PolarHBondContact O-N 3.33Å; D417-A421 PolarHBondContact O-N 3.2Å; D417-L443 HydrophobicContact CB-CD1 4Å; D417-L443 HydrophobicContact CB-CD2 3.96Å |
| 418 | P | 94.7 | Very high | 81.8 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 20% | 0.195 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.8 | -176.4 | -27.9 | 37.7 | 0 | 0 | 0 | 114.1 | D388 V389 V391 R416 | D388-P418 WeakPolarHBondContact CA-O 3.46Å; D388-P418 HydrophobicContact CB-CB 3.75Å; V389-P418 PolarHBondContact N-O 3.44Å; V389-P418 VanDerWaalsContact O-CB 3.31Å; V389-P418 WeakPolarHBondContact O-CB 3.37Å; V391-P418 HydrophobicContact CG2-CG 4.21Å; R416-P418 VanDerWaalsContact C-CD 3.47Å |
| 419 | C | 95.5 | Very high | 83.1 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -20 | 178.1 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | H347 Q349 R351 Y379 D388 R416 D417 A421 | H347-C419 PolarHBondContact O-SG 3.37Å; Q349-C419 VanDerWaalsContact O-CB 3.23Å; Q349-C419 WeakPolarHBondContact O-CB 3.38Å; Q349-C419 PolarHBondContact O-SG 3.36Å; R351-C419 HydrophobicContact CG-CB 3.94Å; R351-C419 PolarHBondContact NE-O 3.46Å; R351-C419 PolarHBondContact NH2-O 2.65Å; Y379-C419 PolarHBondContact OH-O 2.97Å; D388-C419 WeakPolarHBondContact OD1-CA 3.39Å; D388-C419 WeakPolarHBondContact OD1-CB 3.33Å; R416-C419 PolarHBondContact O-N 2.88Å; R416-C419 PolarHBondContact O-SG 3.19Å; D417-C419 VanDerWaalsContact C-N 3.3Å; D417-C419 PolarHBondContact O-N 3.47Å; C419-A421 PolarHBondContact O-N 2.89Å |
| 420 | R | 97.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 9.6 | 179.4 | -67.8 | 169.8 | 178.6 | -173.3 | -4.6 | 114.1 | Y26 S29 F72 H347 D348 Y380 D398 R416 D417 L443 | Y26-R420 HydrophobicContact CD1-CB 4.26Å; Y26-R420 HydrophobicContact CD1-CG 4.41Å; Y26-R420 HydrophobicContact CE1-CB 4.01Å; Y26-R420 HydrophobicContact CE1-CG 4.09Å; Y26-R420 HydrophobicContact CE2-CG 4.26Å; S29-R420 VanDerWaalsContact CB-O 3.23Å; S29-R420 WeakPolarHBondContact CB-O 3.14Å; S29-R420 PolarHBondContact OG-O 2.87Å; F72-R420 VanDerWaalsContact CD2-NH1 3.33Å; H347-R420 HydrophobicContact CB-CG 4.38Å; H347-R420 PolarHBondContact CD2-NH2 3.43Å; H347-R420 PolarHBondContact O-NE 3.24Å; H347-R420 PolarHBondContact O-NH2 3.29Å; D348-R420 IonicContact OD1-NH2 3.33Å; D348-R420 PolarHBondContact OD1-NH2 2.68Å; Y380-R420 PolarHBondContact OH-O 3.2Å; D398-R420 IonicContact OD1-NH1 3.07Å; R416-R420 VanDerWaalsContact CD-NH2 3.33Å; R416-R420 WeakPolarHBondContact O-CB 3.33Å; R416-R420 WeakPolarHBondContact O-CD 3.36Å; R416-R420 WeakPolarHBondContact O-CG 3.5Å; R416-R420 PolarHBondContact O-N 3.45Å; D417-R420 PolarHBondContact O-N 3.33Å; R420-L443 HydrophobicContact CB-CD1 4.22Å |
| 421 | A | 95.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 156.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y380 M386 V389 D417 C419 | Y380-A421 PolarHBondContact OH-O 2.93Å; M386-A421 HydrophobicContact CE-CB 3.83Å; M386-A421 WeakPolarHBondContact CE-O 3.41Å; V389-A421 HydrophobicContact CB-CB 3.71Å; V389-A421 HydrophobicContact CG2-CB 3.4Å; D417-A421 PolarHBondContact O-N 3.2Å; C419-A421 PolarHBondContact O-N 2.89Å |
| 422 | P | 97 | Very high | 87.7 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 145.1 | -177 | -20.1 | 31.8 | 0 | 0 | 0 | 114.6 | S29 F434 A441 L443 P444 M445 | S29-P422 WeakPolarHBondContact O-CA 3.35Å; P422-F434 HydrophobicContact CB-CB 4.45Å; P422-F434 HydrophobicContact CB-CD1 3.78Å; P422-F434 HydrophobicContact CB-CD2 3.84Å; P422-F434 HydrophobicContact CB-CE1 3.97Å; P422-F434 HydrophobicContact CB-CE2 4.04Å; P422-F434 HydrophobicContact CB-CG 3.73Å; P422-F434 HydrophobicContact CB-CZ 4.1Å; P422-F434 HydrophobicContact CG-CD1 4.32Å; P422-F434 HydrophobicContact CG-CE1 4.19Å; P422-F434 HydrophobicContact CG-CZ 4.47Å; P422-A441 HydrophobicContact CB-CB 4.28Å; P422-A441 HydrophobicContact CG-CB 3.61Å; P422-L443 HydrophobicContact CG-CB 4.49Å; P422-L443 WeakPolarHBondContact CG-O 3.48Å; P422-P444 WeakPolarHBondContact CD-O 3.31Å; P422-M445 HydrophobicContact CB-CG 3.99Å; P422-M445 HydrophobicContact CG-CG 3.97Å |
| 423 | L | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 130.6 | 176.6 | -167.8 | 66.6 | 0 | 0 | 0 | 111.6 | S29 F30 Y380 L384 M386 W425 V454 | S29-L423 PolarHBondContact O-N 3.04Å; F30-L423 HydrophobicContact CD2-CD2 4.13Å; F30-L423 HydrophobicContact CE2-CD2 3.98Å; Y380-L423 HydrophobicContact CD2-CB 4.01Å; Y380-L423 HydrophobicContact CD2-CD1 3.93Å; Y380-L423 HydrophobicContact CD2-CD2 4.29Å; Y380-L423 HydrophobicContact CD2-CG 4.3Å; Y380-L423 HydrophobicContact CE2-CB 3.99Å; Y380-L423 HydrophobicContact CE2-CD1 4.36Å; L384-L423 HydrophobicContact CD1-CD1 3.45Å; L384-L423 VanDerWaalsContact CD1-CD1 3.45Å; L384-L423 HydrophobicContact CD1-CG 4.33Å; M386-L423 HydrophobicContact SD-CD1 4.34Å; L423-W425 HydrophobicContact CD2-CH2 4.05Å; L423-W425 HydrophobicContact CD2-CZ2 3.61Å; L423-W425 PolarHBondContact O-N 2.84Å; L423-V454 HydrophobicContact CD2-CG2 4.49Å |
| 424 | A | 95.9 | Very high | 91.5 | Very high | 14 Ų | 14 | 33 Ų | 33 | 12% | 0.116 | 19% | 0.192 | C | C | . | . | trans | -83.2 | 110 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A432 I451 S453 V454 | A424-A432 HydrophobicContact CB-CB 3.69Å; A424-I451 HydrophobicContact CB-CG2 3.66Å; A424-S453 VanDerWaalsContact O-CA 3.28Å; A424-S453 WeakPolarHBondContact O-CA 3.47Å; A424-V454 PolarHBondContact O-N 3.45Å | ||
| 425 | W | 96.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | trans | -82.9 | -41.9 | 179.9 | -75.5 | 99.4 | 0 | 0 | 0 | 113.3 | F30 K31 K47 Y50 L423 A432 V454 E455 | F30-W425 HydrophobicContact CD1-CZ2 4.2Å; F30-W425 HydrophobicContact CD2-CZ2 4.24Å; F30-W425 HydrophobicContact CE1-CH2 4.11Å; F30-W425 AromaticContact CE1-CZ2 3.68Å; F30-W425 HydrophobicContact CE1-CZ2 3.68Å; F30-W425 HydrophobicContact CE2-CH2 4.03Å; F30-W425 AromaticContact CE2-CZ2 3.72Å; F30-W425 HydrophobicContact CE2-CZ2 3.72Å; F30-W425 HydrophobicContact CG-CZ2 4.46Å; F30-W425 AromaticContact CZ-CH2 3.55Å; F30-W425 HydrophobicContact CZ-CH2 3.55Å; F30-W425 AromaticContact CZ-CZ2 3.41Å; F30-W425 HydrophobicContact CZ-CZ2 3.41Å; F30-W425 VanDerWaalsContact CZ-CZ2 3.41Å; F30-W425 PolarHBondContact O-NE1 2.73Å; K31-W425 HydrophobicContact CD-CG 4.32Å; K47-W425 HydrophobicContact CB-CH2 3.73Å; K47-W425 HydrophobicContact CB-CZ2 4.15Å; K47-W425 HydrophobicContact CB-CZ3 4.31Å; K47-W425 HydrophobicContact CD-CD2 4.16Å; K47-W425 HydrophobicContact CD-CE3 3.91Å; K47-W425 HydrophobicContact CD-CH2 3.83Å; K47-W425 HydrophobicContact CD-CZ2 4.06Å; K47-W425 HydrophobicContact CD-CZ3 3.74Å; K47-W425 HydrophobicContact CG-CE3 4.46Å; K47-W425 HydrophobicContact CG-CH2 3.51Å; K47-W425 HydrophobicContact CG-CZ2 3.56Å; K47-W425 HydrophobicContact CG-CZ3 3.98Å; Y50-W425 AromaticContact CD1-CH2 3.9Å; Y50-W425 HydrophobicContact CD1-CH2 3.9Å; Y50-W425 AromaticContact CD1-CZ3 3.99Å; Y50-W425 HydrophobicContact CD1-CZ3 3.99Å; Y50-W425 HydrophobicContact CD2-CZ3 4.43Å; Y50-W425 HydrophobicContact CE1-CH2 4.29Å; Y50-W425 HydrophobicContact CE1-CZ3 4.39Å; Y50-W425 HydrophobicContact CG-CH2 4.33Å; Y50-W425 AromaticContact CG-CZ3 3.99Å; Y50-W425 HydrophobicContact CG-CZ3 3.99Å; L423-W425 HydrophobicContact CD2-CH2 4.05Å; L423-W425 HydrophobicContact CD2-CZ2 3.61Å; L423-W425 PolarHBondContact O-N 2.84Å; W425-A432 PolarHBondContact N-O 3.28Å; W425-V454 HydrophobicContact CD2-CG2 4.46Å; W425-V454 HydrophobicContact CE3-CB 3.99Å; W425-V454 HydrophobicContact CE3-CG1 4.15Å; W425-V454 HydrophobicContact CE3-CG2 3.79Å; W425-V454 HydrophobicContact CZ3-CB 4.38Å; W425-V454 HydrophobicContact CZ3-CG1 4.17Å; W425-V454 HydrophobicContact CZ3-CG2 3.97Å; W425-V454 PolarHBondContact O-N 2.74Å; W425-E455 WeakPolarHBondContact O-CB 3.25Å; W425-E455 PolarHBondContact O-N 2.83Å | ||
| 426 | N | 93.6 | Very high | 93.4 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 17% | 0.171 | 19% | 0.192 | C | C | . | . | trans | -142.3 | 169.8 | 179.7 | 69.7 | 54.9 | 0 | 0 | 0 | 111.5 | M428 D429 A432 E455 | N426-M428 PolarHBondContact OD1-N 2.98Å; N426-D429 PolarHBondContact ND2-OD2 3.1Å; N426-D429 WeakPolarHBondContact OD1-CB 3.23Å; N426-D429 PolarHBondContact OD1-N 3.4Å; N426-A432 PolarHBondContact N-O 3.15Å; N426-A432 CarbonylContact O-C 3.55Å; N426-A432 VanDerWaalsContact O-C 3.29Å; N426-A432 WeakPolarHBondContact O-CA 3.29Å; N426-A432 WeakPolarHBondContact O-CB 3.46Å; N426-E455 HydrophobicContact CB-CB 4Å; N426-E455 HydrophobicContact CB-CG 4.41Å | ||
| 427 | S | 87.3 | Confident | 93.5 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -100.5 | -8.3 | -176.4 | -36.3 | 0 | 0 | 0 | 0 | 112.6 | Y448 S453 E455 | S427-Y448 VanDerWaalsContact O-CE2 3.28Å; S427-Y448 WeakPolarHBondContact O-CE2 3.23Å; S427-Y448 PolarHBondContact O-OH 3.33Å; S427-S453 PolarHBondContact OG-OG 3.14Å; S427-E455 PolarHBondContact OG-OE2 3.24Å |
| 428 | M | 81.4 | Confident | 93.4 | Very high | 156 Ų | 156 | 39.5 Ų | 39.5 | 77% | 0.768 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -100.3 | -32.4 | -166.6 | -63 | -59.3 | -63.8 | 0 | 0 | 113 | N426 | N426-M428 PolarHBondContact OD1-N 2.98Š|
| 429 | D | 85.7 | Confident | 93.3 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -88 | 155.3 | -176.5 | -58.3 | -21.1 | 0 | 0 | 0 | 110.9 | N426 A432 | N426-D429 PolarHBondContact ND2-OD2 3.1Å; N426-D429 WeakPolarHBondContact OD1-CB 3.23Å; N426-D429 PolarHBondContact OD1-N 3.4Å; D429-A432 WeakPolarHBondContact O-CA 3.47Å; D429-A432 PolarHBondContact O-N 2.93Å |
| 430 | D | 84.9 | Confident | 93.3 | Very high | 147 Ų | 147 | 47.8 Ų | 47.8 | 79% | 0.786 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -54.5 | 146.8 | 167.1 | -68.8 | -33.4 | 0 | 0 | 0 | 110.4 | A432 G433 | D430-A432 PolarHBondContact O-N 2.82Å; D430-G433 PolarHBondContact O-N 3.16Å |
| 431 | C | 91.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 25% | 0.25 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | 49 | 30.5 | -171.9 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | G433 F434 T435 M445 | C431-G433 PolarHBondContact O-N 2.98Å; C431-G433 VanDerWaalsContact O-N 3.14Å; C431-F434 VanDerWaalsContact O-CB 3.24Å; C431-F434 WeakPolarHBondContact O-CB 3.45Å; C431-F434 PolarHBondContact O-N 2.96Å; C431-T435 HydrophobicContact CB-CG2 3.76Å; C431-M445 VanDerWaalsContact C-CE 3.41Å; C431-M445 VanDerWaalsContact C-SD 3.59Å; C431-M445 HydrophobicContact CB-SD 3.77Å; C431-M445 WeakPolarHBondContact O-CE 3.5Å |
| 432 | A | 93.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | 53.8 | 34.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A424 W425 N426 D429 D430 F434 M445 I451 | A424-A432 HydrophobicContact CB-CB 3.69Å; W425-A432 PolarHBondContact N-O 3.28Å; N426-A432 PolarHBondContact N-O 3.15Å; N426-A432 CarbonylContact O-C 3.55Å; N426-A432 VanDerWaalsContact O-C 3.29Å; N426-A432 WeakPolarHBondContact O-CA 3.29Å; N426-A432 WeakPolarHBondContact O-CB 3.46Å; D429-A432 WeakPolarHBondContact O-CA 3.47Å; D429-A432 PolarHBondContact O-N 2.93Å; D430-A432 PolarHBondContact O-N 2.82Å; A432-F434 PolarHBondContact O-N 2.83Å; A432-M445 HydrophobicContact CB-CE 3.46Å; A432-M445 VanDerWaalsContact CB-CE 3.46Å; A432-I451 HydrophobicContact CB-CD1 3.99Å |
| 433 | G | 94.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | 72.2 | 8.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K31 D430 C431 | K31-G433 WeakPolarHBondContact CD-O 3.32Å; K31-G433 WeakPolarHBondContact CE-O 3.25Å; K31-G433 PolarHBondContact NZ-O 3.22Å; D430-G433 PolarHBondContact O-N 3.16Å; C431-G433 PolarHBondContact O-N 2.98Å; C431-G433 VanDerWaalsContact O-N 3.14Å |
| 434 | F | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -70.6 | -52.4 | 174.8 | 170.3 | -106.2 | 0 | 0 | 0 | 111.7 | R28 S29 K31 D32 G37 P422 C431 A432 A441 | R28-F434 WeakPolarHBondContact O-CZ 3.38Å; S29-F434 VanDerWaalsContact C-CE2 3.46Å; S29-F434 WeakPolarHBondContact O-CE2 3.43Å; K31-F434 PolarHBondContact NZ-O 2.83Å; D32-F434 HydrophobicContact CB-CE1 4.43Å; D32-F434 HydrophobicContact CB-CZ 4.25Å; D32-F434 PolarHBondContact N-O 3.14Å; G37-F434 VanDerWaalsContact O-CE1 3.31Å; G37-F434 WeakPolarHBondContact O-CE1 3.46Å; P422-F434 HydrophobicContact CB-CB 4.45Å; P422-F434 HydrophobicContact CB-CD1 3.78Å; P422-F434 HydrophobicContact CB-CD2 3.84Å; P422-F434 HydrophobicContact CB-CE1 3.97Å; P422-F434 HydrophobicContact CB-CE2 4.04Å; P422-F434 HydrophobicContact CB-CG 3.73Å; P422-F434 HydrophobicContact CB-CZ 4.1Å; P422-F434 HydrophobicContact CG-CD1 4.32Å; P422-F434 HydrophobicContact CG-CE1 4.19Å; P422-F434 HydrophobicContact CG-CZ 4.47Å; C431-F434 VanDerWaalsContact O-CB 3.24Å; C431-F434 WeakPolarHBondContact O-CB 3.45Å; C431-F434 PolarHBondContact O-N 2.96Å; A432-F434 PolarHBondContact O-N 2.83Å; F434-A441 HydrophobicContact CD1-CB 3.56Å; F434-A441 HydrophobicContact CE1-CB 3.56Å |
| 435 | T | 97.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | trans | -141.7 | 154.3 | -176.7 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | D32 C431 C437 A441 | D32-T435 WeakPolarHBondContact OD2-CB 3.44Å; D32-T435 PolarHBondContact OD2-OG1 2.66Å; C431-T435 HydrophobicContact CB-CG2 3.76Å; T435-C437 HydrophobicContact CG2-CB 4.08Å; T435-C437 WeakPolarHBondContact OG1-CB 3.35Å; T435-C437 PolarHBondContact OG1-N 2.73Å; T435-A441 HydrophobicContact CG2-CB 4.37Å | ||
| 436 | S | 95.5 | Very high | 92.2 | Very high | 97 Ų | 97 | 53.8 Ų | 53.8 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | trans | -98.2 | 6.6 | 166 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | P438 | S436-P438 WeakPolarHBondContact O-CD 3.41Š| ||
| 437 | C | 96.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.122 | 34% | 0.335 | C | S | . | . | trans | -59.8 | 125.4 | 180 | -170.7 | 0 | 0 | 0 | 0 | 111 | G35 T435 E439 G440 | G35-C437 WeakPolarHBondContact O-CA 3.43Å; G35-C437 WeakPolarHBondContact O-CB 3.38Å; G35-C437 PolarHBondContact O-SG 3.12Å; G35-C437 VanDerWaalsContact O-SG 3.35Å; T435-C437 HydrophobicContact CG2-CB 4.08Å; T435-C437 WeakPolarHBondContact OG1-CB 3.35Å; T435-C437 PolarHBondContact OG1-N 2.73Å; C437-E439 PolarHBondContact O-N 2.77Å; C437-G440 PolarHBondContact O-N 2.86Å | ||
| 438 | P | 93.3 | Very high | 91 | Very high | 136 Ų | 136 | 67.1 Ų | 67.1 | 88% | 0.883 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.2 | 178.2 | -25.2 | 34.9 | 0 | 0 | 0 | 114.1 | S436 G440 | S436-P438 WeakPolarHBondContact O-CD 3.41Å; P438-G440 VanDerWaalsContact C-N 3.26Å |
| 439 | E | 93.9 | Very high | 90.6 | Very high | 190 Ų | 190 | 64.6 Ų | 64.6 | 89% | 0.888 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.4 | 176.9 | -63.9 | 177.6 | -172.2 | 0 | 0 | 112.6 | C437 | C437-E439 PolarHBondContact O-N 2.77Š|
| 440 | G | 93.7 | Very high | 90.3 | Very high | 17 Ų | 17 | 64.8 Ų | 64.8 | 18% | 0.175 | 35% | 0.354 | C | S | . | . | trans | 88.3 | -166 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G37 C437 P438 | G37-G440 WeakPolarHBondContact CA-O 3.5Å; C437-G440 PolarHBondContact O-N 2.86Å; P438-G440 VanDerWaalsContact C-N 3.26Å | ||
| 441 | A | 96.2 | Very high | 89.9 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | trans | -76.2 | 153.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P422 F434 T435 L443 M445 | P422-A441 HydrophobicContact CB-CB 4.28Å; P422-A441 HydrophobicContact CG-CB 3.61Å; F434-A441 HydrophobicContact CD1-CB 3.56Å; F434-A441 HydrophobicContact CE1-CB 3.56Å; T435-A441 HydrophobicContact CG2-CB 4.37Å; A441-L443 WeakPolarHBondContact CB-O 3.15Å; A441-L443 PolarHBondContact O-N 3.18Å; A441-M445 HydrophobicContact CB-CG 4.25Å; A441-M445 HydrophobicContact CB-SD 4.37Å | ||
| 442 | W | 96.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -63.2 | -24.1 | -178.4 | 78.6 | -75.3 | 0 | 0 | 0 | 114.2 | Y26 R28 S29 G37 I38 F72 K397 | Y26-W442 HydrophobicContact CD1-CZ2 4.41Å; Y26-W442 HydrophobicContact CE1-CH2 4.02Å; Y26-W442 AromaticContact CE1-CZ2 3.75Å; Y26-W442 HydrophobicContact CE1-CZ2 3.75Å; R28-W442 HydrophobicContact CB-CZ2 3.94Å; R28-W442 VanDerWaalsContact O-CD1 3.22Å; R28-W442 PolarHBondContact O-NE1 3.2Å; S29-W442 VanDerWaalsContact OG-CZ2 3.31Å; S29-W442 WeakPolarHBondContact OG-CZ2 3.47Å; S29-W442 PolarHBondContact OG-NE1 2.9Å; G37-W442 WeakPolarHBondContact O-CB 3.46Å; G37-W442 PolarHBondContact O-N 2.81Å; I38-W442 HydrophobicContact CD1-CB 4.34Å; I38-W442 HydrophobicContact CG1-CB 3.58Å; I38-W442 HydrophobicContact CG1-CG 4.01Å; F72-W442 HydrophobicContact CD1-CZ3 4.25Å; F72-W442 AromaticContact CE1-CZ3 3.88Å; F72-W442 HydrophobicContact CE1-CZ3 3.88Å; F72-W442 HydrophobicContact CE2-CH2 4.39Å; F72-W442 HydrophobicContact CE2-CZ3 4.31Å; F72-W442 HydrophobicContact CZ-CH2 4.41Å; F72-W442 AromaticContact CZ-CZ3 3.89Å; F72-W442 HydrophobicContact CZ-CZ3 3.89Å; K397-W442 HydrophobicContact CD-CE3 3.95Å; K397-W442 HydrophobicContact CD-CZ3 4.35Å; K397-W442 WeakPolarHBondContact CD-O 3.38Å; K397-W442 WeakPolarHBondContact CE-O 3.3Å; K397-W442 PolarHBondContact NZ-O 3.17Å |
| 443 | L | 96.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -125.1 | 155.5 | 169.3 | -82.5 | -178.9 | 0 | 0 | 0 | 109.9 | K397 D417 R420 P422 A441 M445 | K397-L443 HydrophobicContact CB-CD2 4.48Å; K397-L443 HydrophobicContact CD-CD2 4.3Å; K397-L443 HydrophobicContact CG-CD2 4.37Å; D417-L443 HydrophobicContact CB-CD1 4Å; D417-L443 HydrophobicContact CB-CD2 3.96Å; R420-L443 HydrophobicContact CB-CD1 4.22Å; P422-L443 HydrophobicContact CG-CB 4.49Å; P422-L443 WeakPolarHBondContact CG-O 3.48Å; A441-L443 WeakPolarHBondContact CB-O 3.15Å; A441-L443 PolarHBondContact O-N 3.18Å; L443-M445 PolarHBondContact O-N 3.1Å |
| 444 | P | 94 | Very high | 89.7 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 140.8 | 172.3 | -25.4 | 34.7 | 0 | 0 | 0 | 111.8 | V389 V391 A395 P422 | V389-P444 HydrophobicContact CG1-CB 4.11Å; V389-P444 WeakPolarHBondContact CG1-O 3.45Å; V391-P444 HydrophobicContact CG1-CG 4.29Å; A395-P444 HydrophobicContact CB-CG 3.94Å; P422-P444 WeakPolarHBondContact CD-O 3.31Å |
| 445 | M | 90.3 | Very high | 89.7 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 22% | 0.222 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 163.9 | 173.6 | -74.8 | -179.5 | 30.2 | 0 | 0 | 112 | V389 P422 C431 A432 A441 L443 I451 | V389-M445 WeakPolarHBondContact CG1-O 3.19Å; P422-M445 HydrophobicContact CB-CG 3.99Å; P422-M445 HydrophobicContact CG-CG 3.97Å; C431-M445 VanDerWaalsContact C-CE 3.41Å; C431-M445 VanDerWaalsContact C-SD 3.59Å; C431-M445 HydrophobicContact CB-SD 3.77Å; C431-M445 WeakPolarHBondContact O-CE 3.5Å; A432-M445 HydrophobicContact CB-CE 3.46Å; A432-M445 VanDerWaalsContact CB-CE 3.46Å; A441-M445 HydrophobicContact CB-CG 4.25Å; A441-M445 HydrophobicContact CB-SD 4.37Å; L443-M445 PolarHBondContact O-N 3.1Å; M445-I451 HydrophobicContact CE-CD1 4.23Å |
| 446 | T | 84.1 | Confident | 89.6 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 24% | 0.239 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 139.9 | 167.4 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | V389 Y448 D450 I451 | V389-T446 WeakPolarHBondContact CG2-OG1 3.37Å; T446-Y448 PolarHBondContact O-N 3.47Å; T446-D450 HydrophobicContact CG2-CB 3.78Å; T446-I451 HydrophobicContact CG2-CG1 4.42Å |
| 447 | R | 79.2 | Confident | 89.6 | Confident | 181 Ų | 181 | 61.4 Ų | 61.4 | 68% | 0.683 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 139.8 | 176.1 | -67.3 | -178.4 | 179.1 | -174.3 | -0.3 | 110.3 | S449 D450 I451 | R447-S449 PolarHBondContact O-N 2.99Å; R447-D450 CarbonylContact O-C 3.35Å; R447-D450 WeakPolarHBondContact O-CA 3.46Å; R447-D450 PolarHBondContact O-N 2.69Å; R447-I451 WeakPolarHBondContact O-CG1 3.29Å; R447-I451 PolarHBondContact O-N 2.94Å; R447-I451 VanDerWaalsContact O-N 3.16Å |
| 448 | Y | 75.5 | Confident | 89.6 | Confident | 159 Ų | 159 | 65.8 Ų | 65.8 | 62% | 0.624 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -52.3 | -37 | -176.1 | -167.8 | -94.2 | 0 | 0 | 0 | 113.9 | S427 T446 D450 I451 | S427-Y448 VanDerWaalsContact O-CE2 3.28Å; S427-Y448 WeakPolarHBondContact O-CE2 3.23Å; S427-Y448 PolarHBondContact O-OH 3.33Å; T446-Y448 PolarHBondContact O-N 3.47Å; Y448-D450 PolarHBondContact O-N 3.41Å; Y448-I451 HydrophobicContact CD2-CD1 3.96Å; Y448-I451 HydrophobicContact CG-CD1 4.49Å; Y448-I451 PolarHBondContact O-N 2.64Å |
| 449 | S | 74.5 | Confident | 89.6 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -63.2 | -25.6 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | R447 | R447-S449 PolarHBondContact O-N 2.99Š|
| 450 | D | 78.7 | Confident | 89.7 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -109.2 | 3.8 | -175.6 | -58.2 | -61.9 | 0 | 0 | 0 | 111.8 | T446 R447 Y448 L452 | T446-D450 HydrophobicContact CG2-CB 3.78Å; R447-D450 CarbonylContact O-C 3.35Å; R447-D450 WeakPolarHBondContact O-CA 3.46Å; R447-D450 PolarHBondContact O-N 2.69Å; Y448-D450 PolarHBondContact O-N 3.41Å; D450-L452 PolarHBondContact O-N 3.28Å |
| 451 | I | 76.8 | Confident | 89.6 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | trans | -64.9 | 127.2 | -178.6 | -76.8 | 179.4 | 0 | 0 | 0 | 110.3 | A424 A432 M445 T446 R447 Y448 | A424-I451 HydrophobicContact CB-CG2 3.66Å; A432-I451 HydrophobicContact CB-CD1 3.99Å; M445-I451 HydrophobicContact CE-CD1 4.23Å; T446-I451 HydrophobicContact CG2-CG1 4.42Å; R447-I451 WeakPolarHBondContact O-CG1 3.29Å; R447-I451 PolarHBondContact O-N 2.94Å; R447-I451 VanDerWaalsContact O-N 3.16Å; Y448-I451 HydrophobicContact CD2-CD1 3.96Å; Y448-I451 HydrophobicContact CG-CD1 4.49Å; Y448-I451 PolarHBondContact O-N 2.64Å | ||
| 452 | L | 84.3 | Confident | 89.3 | Confident | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | trans | -107.2 | 60.6 | 175.7 | -70.4 | -178.7 | 0 | 0 | 0 | 109.9 | L384 D450 Q457 Y464 | L384-L452 VanDerWaalsContact O-CD1 3.31Å; L384-L452 WeakPolarHBondContact O-CD1 3.21Å; D450-L452 PolarHBondContact O-N 3.28Å; L452-Q457 PolarHBondContact O-NE2 3.47Å; L452-Y464 HydrophobicContact CD1-CD2 4.26Å; L452-Y464 HydrophobicContact CD1-CE2 4.12Å; L452-Y464 HydrophobicContact CD2-CE2 4.49Å | ||
| 453 | S | 94.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | trans | -63.4 | 150.5 | -170.7 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | A424 S427 E455 A456 Q457 | A424-S453 VanDerWaalsContact O-CA 3.28Å; A424-S453 WeakPolarHBondContact O-CA 3.47Å; S427-S453 PolarHBondContact OG-OG 3.14Å; S453-E455 VanDerWaalsContact C-N 3.34Å; S453-E455 PolarHBondContact O-N 2.91Å; S453-A456 VanDerWaalsContact OG-CB 3.28Å; S453-A456 WeakPolarHBondContact OG-CB 3.13Å; S453-A456 PolarHBondContact OG-N 2.75Å; S453-Q457 WeakPolarHBondContact O-CB 3.42Å; S453-Q457 WeakPolarHBondContact O-CG 3.41Å; S453-Q457 PolarHBondContact O-N 3.35Å | ||
| 454 | V | 97.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 177 | 175.4 | 0 | 0 | 0 | 0 | 111 | Y50 L384 L423 A424 W425 Q457 R458 L465 | Y50-V454 HydrophobicContact CD2-CG1 3.8Å; Y50-V454 HydrophobicContact CE2-CG1 3.48Å; Y50-V454 VanDerWaalsContact CE2-CG1 3.48Å; L384-V454 HydrophobicContact CD1-CG2 3.81Å; L384-V454 HydrophobicContact CD2-CG2 4.18Å; L423-V454 HydrophobicContact CD2-CG2 4.49Å; A424-V454 PolarHBondContact O-N 3.45Å; W425-V454 HydrophobicContact CD2-CG2 4.46Å; W425-V454 HydrophobicContact CE3-CB 3.99Å; W425-V454 HydrophobicContact CE3-CG1 4.15Å; W425-V454 HydrophobicContact CE3-CG2 3.79Å; W425-V454 HydrophobicContact CZ3-CB 4.38Å; W425-V454 HydrophobicContact CZ3-CG1 4.17Å; W425-V454 HydrophobicContact CZ3-CG2 3.97Å; W425-V454 PolarHBondContact O-N 2.74Å; V454-Q457 PolarHBondContact O-N 3.29Å; V454-R458 WeakPolarHBondContact O-CB 3.33Å; V454-R458 PolarHBondContact O-N 3.45Å; V454-L465 HydrophobicContact CG1-CD2 4.21Å |
| 455 | E | 95.9 | Very high | 89.4 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58 | -53.7 | 179.5 | 175.1 | -86.2 | 140.8 | 0 | 0 | 112.7 | W425 N426 S427 S453 Q457 R458 S459 | W425-E455 WeakPolarHBondContact O-CB 3.25Å; W425-E455 PolarHBondContact O-N 2.83Å; N426-E455 HydrophobicContact CB-CB 4Å; N426-E455 HydrophobicContact CB-CG 4.41Å; S427-E455 PolarHBondContact OG-OE2 3.24Å; S453-E455 VanDerWaalsContact C-N 3.34Å; S453-E455 PolarHBondContact O-N 2.91Å; E455-Q457 PolarHBondContact O-N 3.16Å; E455-R458 PolarHBondContact O-N 3.43Å; E455-S459 PolarHBondContact O-N 3.03Å; E455-S459 PolarHBondContact O-OG 3.42Å |
| 456 | A | 94.7 | Very high | 89.7 | Confident | 37 Ų | 37 | 63 Ų | 63 | 31% | 0.306 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | S453 T460 | S453-A456 VanDerWaalsContact OG-CB 3.28Å; S453-A456 WeakPolarHBondContact OG-CB 3.13Å; S453-A456 PolarHBondContact OG-N 2.75Å; A456-T460 WeakPolarHBondContact O-CB 3.49Å; A456-T460 PolarHBondContact O-N 2.97Å; A456-T460 PolarHBondContact O-OG1 2.81Å |
| 457 | Q | 96.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.4 | -34.3 | 178.5 | -72.5 | -157.5 | 62.9 | 0 | 0 | 112.9 | L384 L452 S453 V454 E455 S459 T460 S463 Y464 L465 N466 | L384-Q457 PolarHBondContact O-NE2 3.39Å; L452-Q457 PolarHBondContact O-NE2 3.47Å; S453-Q457 WeakPolarHBondContact O-CB 3.42Å; S453-Q457 WeakPolarHBondContact O-CG 3.41Å; S453-Q457 PolarHBondContact O-N 3.35Å; V454-Q457 PolarHBondContact O-N 3.29Å; E455-Q457 PolarHBondContact O-N 3.16Å; Q457-S459 VanDerWaalsContact C-N 3.29Å; Q457-S459 PolarHBondContact O-N 3.13Å; Q457-T460 PolarHBondContact O-N 2.97Å; Q457-T460 VanDerWaalsContact O-O 3.13Å; Q457-S463 WeakPolarHBondContact O-CB 3.4Å; Q457-S463 PolarHBondContact O-OG 3.02Å; Q457-Y464 VanDerWaalsContact OE1-N 3.07Å; Q457-L465 HydrophobicContact CB-CB 3.71Å; Q457-L465 HydrophobicContact CB-CD2 4.03Å; Q457-N466 PolarHBondContact O-ND2 3.39Å |
| 458 | R | 96 | Very high | 91.2 | Very high | 111 Ų | 111 | 53 Ų | 53 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.1 | -175.6 | 172.3 | -175.5 | 177.7 | 1 | 111.3 | W53 V454 E455 T460 L465 N466 | W53-R458 VanDerWaalsContact CD1-NH2 3.26Å; W53-R458 HydrophobicContact CH2-CB 4.48Å; W53-R458 HydrophobicContact CH2-CG 3.97Å; W53-R458 HydrophobicContact CZ2-CG 3.73Å; W53-R458 HydrophobicContact CZ3-CG 4.5Å; V454-R458 WeakPolarHBondContact O-CB 3.33Å; V454-R458 PolarHBondContact O-N 3.45Å; E455-R458 PolarHBondContact O-N 3.43Å; R458-T460 VanDerWaalsContact C-N 3.32Å; R458-L465 HydrophobicContact CB-CD2 4.16Å; R458-N466 PolarHBondContact O-ND2 3.21Å |
| 459 | S | 93.6 | Very high | 92.3 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -78.4 | -12.3 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | E455 Q457 P461 | E455-S459 PolarHBondContact O-N 3.03Å; E455-S459 PolarHBondContact O-OG 3.42Å; Q457-S459 VanDerWaalsContact C-N 3.29Å; Q457-S459 PolarHBondContact O-N 3.13Å; S459-P461 WeakPolarHBondContact O-CD 3.32Å |
| 460 | T | 94.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | trans | -104.6 | 108.7 | -176 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | A456 Q457 R458 S462 S463 N466 | A456-T460 WeakPolarHBondContact O-CB 3.49Å; A456-T460 PolarHBondContact O-N 2.97Å; A456-T460 PolarHBondContact O-OG1 2.81Å; Q457-T460 PolarHBondContact O-N 2.97Å; Q457-T460 VanDerWaalsContact O-O 3.13Å; R458-T460 VanDerWaalsContact C-N 3.32Å; T460-S462 VanDerWaalsContact C-N 3.26Å; T460-S462 PolarHBondContact O-N 3.04Å; T460-S462 VanDerWaalsContact O-N 3.13Å; T460-S463 VanDerWaalsContact O-CB 3.23Å; T460-S463 WeakPolarHBondContact O-CB 3.3Å; T460-S463 PolarHBondContact O-N 2.71Å; T460-S463 VanDerWaalsContact O-N 3.1Å; T460-S463 PolarHBondContact O-OG 3.11Å; T460-N466 PolarHBondContact O-ND2 3.26Å | ||
| 461 | P | 91.8 | Very high | 94.3 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 54% | 0.539 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.8 | -173.4 | -27.2 | 36 | 0 | 0 | 0 | 115.8 | S459 R546 | S459-P461 WeakPolarHBondContact O-CD 3.32Å; P461-R546 PolarHBondContact O-NH2 2.98Å |
| 462 | S | 91.2 | Very high | 95.3 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.2 | -179.1 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | K363 T460 | K363-S462 WeakPolarHBondContact CE-O 3.43Å; K363-S462 PolarHBondContact NZ-O 3.19Å; T460-S462 VanDerWaalsContact C-N 3.26Å; T460-S462 PolarHBondContact O-N 3.04Å; T460-S462 VanDerWaalsContact O-N 3.13Å |
| 463 | S | 94.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -64.6 | 164.8 | -176.6 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | Q457 T460 L465 N466 H467 | Q457-S463 WeakPolarHBondContact O-CB 3.4Å; Q457-S463 PolarHBondContact O-OG 3.02Å; T460-S463 VanDerWaalsContact O-CB 3.23Å; T460-S463 WeakPolarHBondContact O-CB 3.3Å; T460-S463 PolarHBondContact O-N 2.71Å; T460-S463 VanDerWaalsContact O-N 3.1Å; T460-S463 PolarHBondContact O-OG 3.11Å; S463-L465 VanDerWaalsContact C-N 3.3Å; S463-N466 PolarHBondContact OG-N 2.93Å; S463-N466 VanDerWaalsContact OG-N 3.07Å; S463-N466 PolarHBondContact OG-ND2 2.86Å; S463-H467 WeakPolarHBondContact O-CB 3.49Å; S463-H467 PolarHBondContact O-N 2.9Å |
| 464 | Y | 95.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 174 | -54.4 | -62.7 | 0 | 0 | 0 | 110.7 | S359 T362 K363 E383 L384 L452 Q457 H467 F468 | S359-Y464 WeakPolarHBondContact O-CE1 2.72Å; S359-Y464 VanDerWaalsContact O-CZ 3.26Å; S359-Y464 PolarHBondContact O-OH 3.29Å; T362-Y464 HydrophobicContact CG2-CD1 4.09Å; T362-Y464 HydrophobicContact CG2-CG 4.14Å; K363-Y464 HydrophobicContact CD-CD1 4.41Å; K363-Y464 HydrophobicContact CG-CD1 3.73Å; K363-Y464 HydrophobicContact CG-CE1 4.14Å; E383-Y464 CarbonylContact O-C 3.55Å; E383-Y464 WeakPolarHBondContact O-CB 3.43Å; L384-Y464 VanDerWaalsContact O-CD2 3.28Å; L384-Y464 WeakPolarHBondContact O-CD2 3.45Å; L452-Y464 HydrophobicContact CD1-CD2 4.26Å; L452-Y464 HydrophobicContact CD1-CE2 4.12Å; L452-Y464 HydrophobicContact CD2-CE2 4.49Å; Q457-Y464 VanDerWaalsContact OE1-N 3.07Å; Y464-H467 WeakPolarHBondContact O-CB 3.48Å; Y464-H467 PolarHBondContact O-N 3.12Å; Y464-F468 WeakPolarHBondContact O-CB 3.42Å; Y464-F468 PolarHBondContact O-N 2.91Å |
| 465 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 177.4 | -173.7 | 61.1 | 0 | 0 | 0 | 112.8 | Y50 W53 L54 E383 L384 V454 Q457 R458 S463 H467 F468 K469 | Y50-L465 HydrophobicContact CE2-CD1 4.11Å; Y50-L465 HydrophobicContact CE2-CD2 4.28Å; Y50-L465 VanDerWaalsContact OH-CD1 3.27Å; Y50-L465 WeakPolarHBondContact OH-CD1 3.43Å; W53-L465 HydrophobicContact CH2-CD2 4.06Å; W53-L465 HydrophobicContact CH2-CG 3.97Å; W53-L465 HydrophobicContact CZ3-CD1 4.13Å; W53-L465 HydrophobicContact CZ3-CD2 3.86Å; W53-L465 HydrophobicContact CZ3-CG 3.81Å; L54-L465 HydrophobicContact CD2-CD1 3.77Å; E383-L465 HydrophobicContact CB-CD1 4.5Å; E383-L465 HydrophobicContact CG-CD1 3.72Å; E383-L465 PolarHBondContact O-N 2.94Å; L384-L465 HydrophobicContact CD2-CB 4.01Å; L384-L465 HydrophobicContact CD2-CD1 3.87Å; L384-L465 HydrophobicContact CD2-CD2 4.06Å; L384-L465 HydrophobicContact CD2-CG 4.2Å; V454-L465 HydrophobicContact CG1-CD2 4.21Å; Q457-L465 HydrophobicContact CB-CB 3.71Å; Q457-L465 HydrophobicContact CB-CD2 4.03Å; R458-L465 HydrophobicContact CB-CD2 4.16Å; S463-L465 VanDerWaalsContact C-N 3.3Å; L465-H467 VanDerWaalsContact C-N 3.31Å; L465-H467 PolarHBondContact O-N 2.89Å; L465-F468 WeakPolarHBondContact O-CB 3.44Å; L465-F468 PolarHBondContact O-N 2.84Å; L465-K469 PolarHBondContact O-N 3.38Å |
| 466 | N | 96.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.9 | -31.3 | 178.5 | -87 | -62.2 | 0 | 0 | 0 | 111.9 | Q457 R458 T460 S463 A470 | Q457-N466 PolarHBondContact O-ND2 3.39Å; R458-N466 PolarHBondContact O-ND2 3.21Å; T460-N466 PolarHBondContact O-ND2 3.26Å; S463-N466 PolarHBondContact OG-N 2.93Å; S463-N466 VanDerWaalsContact OG-N 3.07Å; S463-N466 PolarHBondContact OG-ND2 2.86Å; N466-A470 WeakPolarHBondContact O-CB 3.35Å; N466-A470 PolarHBondContact O-N 2.97Å |
| 467 | H | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 170 | 176.1 | 90.3 | 0 | 0 | 0 | 111.7 | K363 S463 Y464 L465 K469 A470 L471 H542 | K363-H467 WeakPolarHBondContact CA-NE2 3.26Å; K363-H467 WeakPolarHBondContact CB-NE2 3.06Å; K363-H467 HydrophobicContact CD-CB 4.25Å; K363-H467 HydrophobicContact CG-CB 4.27Å; K363-H467 PolarHBondContact O-NE2 3.49Å; S463-H467 WeakPolarHBondContact O-CB 3.49Å; S463-H467 PolarHBondContact O-N 2.9Å; Y464-H467 WeakPolarHBondContact O-CB 3.48Å; Y464-H467 PolarHBondContact O-N 3.12Å; L465-H467 VanDerWaalsContact C-N 3.31Å; L465-H467 PolarHBondContact O-N 2.89Å; H467-K469 PolarHBondContact O-N 3.43Å; H467-A470 PolarHBondContact O-N 3.28Å; H467-L471 VanDerWaalsContact NE2-CD1 3.31Å; H467-L471 WeakPolarHBondContact NE2-CD1 3.49Å; H467-L471 WeakPolarHBondContact O-CG 3.48Å; H467-L471 PolarHBondContact O-N 2.85Å; H467-H542 AromaticContact CE1-CD2 3.82Å; H467-H542 AromaticContact CE1-NE2 3.04Å; H467-H542 PolarHBondContact CE1-NE2 3.45Å; H467-H542 AromaticContact CG-NE2 3.89Å; H467-H542 AromaticContact ND1-CE1 3.59Å; H467-H542 AromaticContact ND1-NE2 2.91Å; H467-H542 PolarHBondContact ND1-NE2 3.14Å |
| 468 | F | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 176 | -172.9 | -94.4 | 0 | 0 | 0 | 111.6 | I21 L54 N366 L370 C378 E383 Y464 L465 A470 L471 L472 | I21-F468 HydrophobicContact CD1-CE1 4.27Å; I21-F468 HydrophobicContact CD1-CZ 3.92Å; L54-F468 HydrophobicContact CD2-CD1 4.26Å; N366-F468 HydrophobicContact CB-CD2 3.9Å; N366-F468 HydrophobicContact CB-CE2 4.45Å; L370-F468 HydrophobicContact CD1-CD2 3.71Å; L370-F468 HydrophobicContact CD1-CE2 3.65Å; L370-F468 HydrophobicContact CD1-CG 4.23Å; L370-F468 HydrophobicContact CD1-CZ 4.13Å; L370-F468 HydrophobicContact CD2-CE2 4.18Å; L370-F468 HydrophobicContact CD2-CZ 4.2Å; L370-F468 HydrophobicContact CG-CE2 4.17Å; C378-F468 HydrophobicContact CB-CZ 4.13Å; C378-F468 VanDerWaalsContact SG-CZ 3.57Å; E383-F468 HydrophobicContact CB-CB 4.04Å; E383-F468 HydrophobicContact CB-CD1 3.64Å; E383-F468 HydrophobicContact CB-CD2 3.71Å; E383-F468 HydrophobicContact CB-CE1 3.9Å; E383-F468 HydrophobicContact CB-CE2 3.98Å; E383-F468 HydrophobicContact CB-CG 3.54Å; E383-F468 HydrophobicContact CB-CZ 4.07Å; Y464-F468 WeakPolarHBondContact O-CB 3.42Å; Y464-F468 PolarHBondContact O-N 2.91Å; L465-F468 WeakPolarHBondContact O-CB 3.44Å; L465-F468 PolarHBondContact O-N 2.84Å; F468-A470 PolarHBondContact O-N 2.86Å; F468-L471 WeakPolarHBondContact O-CB 3.39Å; F468-L471 PolarHBondContact O-N 2.98Å; F468-L472 HydrophobicContact CD1-CD1 3.84Å; F468-L472 HydrophobicContact CD1-CG 4.15Å; F468-L472 HydrophobicContact CE1-CD1 3.53Å; F468-L472 HydrophobicContact CE1-CD2 4.4Å; F468-L472 HydrophobicContact CE1-CG 3.96Å; F468-L472 HydrophobicContact CZ-CD1 4.48Å; F468-L472 PolarHBondContact O-N 3.03Å |
| 469 | K | 98 | Very high | 95.6 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.2 | -178.3 | 172.7 | 177.3 | -70.4 | 0 | 112.6 | W53 L54 L465 H467 L471 L472 Q473 | W53-K469 HydrophobicContact CD2-CD 4.02Å; W53-K469 HydrophobicContact CE3-CD 4.17Å; W53-K469 HydrophobicContact CH2-CB 4.5Å; W53-K469 HydrophobicContact CH2-CD 3.59Å; W53-K469 HydrophobicContact CZ2-CD 3.39Å; W53-K469 HydrophobicContact CZ3-CD 3.98Å; W53-K469 WeakPolarHBondContact O-CE 3.44Å; L54-K469 HydrophobicContact CD2-CB 4.12Å; L465-K469 PolarHBondContact O-N 3.38Å; H467-K469 PolarHBondContact O-N 3.43Å; K469-L471 VanDerWaalsContact C-N 3.31Å; K469-L471 PolarHBondContact O-N 3.46Å; K469-L472 PolarHBondContact O-N 3.3Å; K469-Q473 WeakPolarHBondContact O-CG 3.42Å; K469-Q473 PolarHBondContact O-N 3.27Å |
| 470 | A | 97.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N466 H467 F468 Q473 L474 | N466-A470 WeakPolarHBondContact O-CB 3.35Å; N466-A470 PolarHBondContact O-N 2.97Å; H467-A470 PolarHBondContact O-N 3.28Å; F468-A470 PolarHBondContact O-N 2.86Å; A470-Q473 WeakPolarHBondContact O-CB 3.37Å; A470-Q473 PolarHBondContact O-N 3.35Å; A470-L474 PolarHBondContact O-N 3.24Å; A470-L474 VanDerWaalsContact O-N 3.12Å |
| 471 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | 174.5 | -67 | 172.2 | 0 | 0 | 0 | 112.6 | N366 A367 L370 L371 H467 F468 K469 Q473 L474 R475 | N366-L471 HydrophobicContact CB-CD1 4.1Å; A367-L471 HydrophobicContact CB-CD1 3.92Å; A367-L471 HydrophobicContact CB-CD2 4.08Å; L370-L471 HydrophobicContact CB-CB 4.33Å; L370-L471 HydrophobicContact CD1-CB 3.49Å; L370-L471 VanDerWaalsContact CD1-CB 3.49Å; L370-L471 HydrophobicContact CD1-CD1 4.06Å; L370-L471 HydrophobicContact CD1-CG 4.47Å; L371-L471 HydrophobicContact CD1-CD2 3.83Å; L371-L471 HydrophobicContact CG-CD2 4.23Å; H467-L471 VanDerWaalsContact NE2-CD1 3.31Å; H467-L471 WeakPolarHBondContact NE2-CD1 3.49Å; H467-L471 WeakPolarHBondContact O-CG 3.48Å; H467-L471 PolarHBondContact O-N 2.85Å; F468-L471 WeakPolarHBondContact O-CB 3.39Å; F468-L471 PolarHBondContact O-N 2.98Å; K469-L471 VanDerWaalsContact C-N 3.31Å; K469-L471 PolarHBondContact O-N 3.46Å; L471-Q473 VanDerWaalsContact C-N 3.32Å; L471-Q473 PolarHBondContact O-N 3.45Å; L471-L474 HydrophobicContact CD2-CD1 4.41Å; L471-L474 WeakPolarHBondContact O-CB 3.48Å; L471-L474 PolarHBondContact O-N 3.31Å; L471-R475 WeakPolarHBondContact O-CB 3.16Å; L471-R475 PolarHBondContact O-N 3.01Å |
| 472 | L | 97.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 173.2 | -73.8 | -178.6 | 0 | 0 | 0 | 112.4 | I21 L54 V56 L370 F468 K469 L474 R475 A476 | I21-L472 HydrophobicContact CD1-CD2 4.08Å; I21-L472 HydrophobicContact CG1-CD2 4.24Å; I21-L472 HydrophobicContact CG2-CD2 3.66Å; L54-L472 HydrophobicContact CB-CD1 4.27Å; L54-L472 WeakPolarHBondContact O-CD1 3.2Å; V56-L472 HydrophobicContact CG2-CD1 4.05Å; L370-L472 HydrophobicContact CD1-CD2 4.13Å; L370-L472 HydrophobicContact CD1-CG 4.26Å; L370-L472 HydrophobicContact CD2-CD2 3.74Å; F468-L472 HydrophobicContact CD1-CD1 3.84Å; F468-L472 HydrophobicContact CD1-CG 4.15Å; F468-L472 HydrophobicContact CE1-CD1 3.53Å; F468-L472 HydrophobicContact CE1-CD2 4.4Å; F468-L472 HydrophobicContact CE1-CG 3.96Å; F468-L472 HydrophobicContact CZ-CD1 4.48Å; F468-L472 PolarHBondContact O-N 3.03Å; K469-L472 PolarHBondContact O-N 3.3Å; L472-L474 VanDerWaalsContact C-N 3.32Å; L472-L474 PolarHBondContact O-N 3.06Å; L472-R475 PolarHBondContact O-N 3.28Å; L472-A476 PolarHBondContact O-N 3.48Å |
| 473 | Q | 96.7 | Very high | 95.1 | Very high | 114 Ų | 114 | 31 Ų | 31 | 53% | 0.533 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 174 | -69.1 | 174 | -34.8 | 0 | 0 | 111.8 | K469 A470 L471 | K469-Q473 WeakPolarHBondContact O-CG 3.42Å; K469-Q473 PolarHBondContact O-N 3.27Å; A470-Q473 WeakPolarHBondContact O-CB 3.37Å; A470-Q473 PolarHBondContact O-N 3.35Å; L471-Q473 VanDerWaalsContact C-N 3.32Å; L471-Q473 PolarHBondContact O-N 3.45Å |
| 474 | L | 96.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 172.4 | -66.5 | 174.5 | 0 | 0 | 0 | 111.9 | L371 A470 L471 L472 A476 L477 F480 V541 H542 V568 | L371-L474 HydrophobicContact CD2-CB 4.08Å; A470-L474 PolarHBondContact O-N 3.24Å; A470-L474 VanDerWaalsContact O-N 3.12Å; L471-L474 HydrophobicContact CD2-CD1 4.41Å; L471-L474 WeakPolarHBondContact O-CB 3.48Å; L471-L474 PolarHBondContact O-N 3.31Å; L472-L474 VanDerWaalsContact C-N 3.32Å; L472-L474 PolarHBondContact O-N 3.06Å; L474-A476 PolarHBondContact O-N 3.07Å; L474-L477 HydrophobicContact CD2-CD1 4.1Å; L474-L477 VanDerWaalsContact O-CB 3.22Å; L474-L477 WeakPolarHBondContact O-CB 3.44Å; L474-L477 VanDerWaalsContact O-CG 3.3Å; L474-L477 WeakPolarHBondContact O-CG 3.33Å; L474-L477 PolarHBondContact O-N 2.79Å; L474-F480 HydrophobicContact CB-CE2 4.36Å; L474-F480 WeakPolarHBondContact O-CD2 3.38Å; L474-V541 HydrophobicContact CD2-CG1 3.42Å; L474-V541 VanDerWaalsContact CD2-CG1 3.42Å; L474-H542 HydrophobicContact CD1-CB 3.93Å; L474-V568 HydrophobicContact CD1-CB 4.18Å; L474-V568 HydrophobicContact CD1-CG1 4.13Å; L474-V568 HydrophobicContact CD1-CG2 4.04Å |
| 475 | R | 95.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.038 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.3 | -33.3 | 178.8 | -176.2 | 178.6 | 171.4 | 76.7 | 6.8 | 112.5 | T20 I21 L370 G374 L471 L472 L477 F480 A481 | T20-R475 PolarHBondContact O-NH2 2.79Å; I21-R475 VanDerWaalsContact CG2-NE 3.29Å; L370-R475 WeakPolarHBondContact O-CD 3.11Å; L370-R475 PolarHBondContact O-NH1 2.84Å; G374-R475 PolarHBondContact O-NH1 3.05Å; G374-R475 VanDerWaalsContact O-NH1 3.14Å; G374-R475 PolarHBondContact O-NH2 2.64Å; L471-R475 WeakPolarHBondContact O-CB 3.16Å; L471-R475 PolarHBondContact O-N 3.01Å; L472-R475 PolarHBondContact O-N 3.28Å; R475-L477 PolarHBondContact O-N 3.26Å; R475-F480 WeakPolarHBondContact O-CB 3.5Å; R475-A481 WeakPolarHBondContact O-CB 3.2Å; R475-A481 PolarHBondContact O-N 3.4Å |
| 476 | A | 94.4 | Very high | 94 | Very high | 70 Ų | 70 | 32.7 Ų | 32.7 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -11.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | L472 L474 | L472-A476 PolarHBondContact O-N 3.48Å; L474-A476 PolarHBondContact O-N 3.07Å |
| 477 | L | 94.7 | Very high | 93.9 | Very high | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.335 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.9 | 144 | 174.6 | -59.7 | 173.5 | 0 | 0 | 0 | 110.5 | L474 R475 T479 F480 A481 F510 | L474-L477 HydrophobicContact CD2-CD1 4.1Å; L474-L477 VanDerWaalsContact O-CB 3.22Å; L474-L477 WeakPolarHBondContact O-CB 3.44Å; L474-L477 VanDerWaalsContact O-CG 3.3Å; L474-L477 WeakPolarHBondContact O-CG 3.33Å; L474-L477 PolarHBondContact O-N 2.79Å; R475-L477 PolarHBondContact O-N 3.26Å; L477-T479 VanDerWaalsContact C-N 3.25Å; L477-T479 PolarHBondContact O-N 2.85Å; L477-T479 VanDerWaalsContact O-N 3.07Å; L477-F480 HydrophobicContact CB-CD2 4.29Å; L477-F480 PolarHBondContact O-N 3.39Å; L477-A481 PolarHBondContact O-N 2.93Å; L477-F510 HydrophobicContact CD1-CE1 4.17Å; L477-F510 HydrophobicContact CD1-CE2 4.08Å; L477-F510 HydrophobicContact CD1-CZ 3.54Å |
| 478 | P | 93.5 | Very high | 93.9 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -48.8 | -41.6 | -177.6 | -33.4 | 37.9 | 0 | 0 | 0 | 114.8 | F480 A481 Y482 L504 F507 | P478-F480 VanDerWaalsContact C-N 3.25Å; P478-F480 PolarHBondContact O-N 3.21Å; P478-A481 PolarHBondContact O-N 3.43Å; P478-Y482 HydrophobicContact CB-CD2 3.72Å; P478-Y482 HydrophobicContact CB-CE2 3.95Å; P478-Y482 HydrophobicContact CG-CD2 4.43Å; P478-Y482 HydrophobicContact CG-CE2 4.14Å; P478-Y482 PolarHBondContact O-N 3.48Å; P478-L504 HydrophobicContact CB-CD2 4.26Å; P478-L504 WeakPolarHBondContact O-CD2 3.29Å; P478-F507 HydrophobicContact CB-CD1 3.49Å; P478-F507 VanDerWaalsContact CB-CD1 3.49Å; P478-F507 HydrophobicContact CB-CD2 4.18Å; P478-F507 HydrophobicContact CB-CE1 3.43Å; P478-F507 VanDerWaalsContact CB-CE1 3.43Å; P478-F507 HydrophobicContact CB-CE2 4.13Å; P478-F507 HydrophobicContact CB-CG 3.87Å; P478-F507 HydrophobicContact CB-CZ 3.76Å; P478-F507 HydrophobicContact CG-CD1 3.74Å; P478-F507 HydrophobicContact CG-CE1 3.5Å; P478-F507 VanDerWaalsContact CG-CE1 3.5Å; P478-F507 HydrophobicContact CG-CZ 4.16Å |
| 479 | T | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -34.6 | 179.9 | -53.4 | 0 | 0 | 0 | 0 | 113.4 | L477 R502 L504 F507 A508 F510 | L477-T479 VanDerWaalsContact C-N 3.25Å; L477-T479 PolarHBondContact O-N 2.85Å; L477-T479 VanDerWaalsContact O-N 3.07Å; T479-R502 HydrophobicContact CG2-CB 3.87Å; T479-R502 VanDerWaalsContact CG2-O 3.23Å; T479-R502 WeakPolarHBondContact CG2-O 3.39Å; T479-R502 PolarHBondContact O-NH2 3.43Å; T479-L504 HydrophobicContact CG2-CB 4.19Å; T479-F507 WeakPolarHBondContact OG1-CB 3.37Å; T479-A508 WeakPolarHBondContact CG2-O 3.49Å; T479-A508 PolarHBondContact OG1-O 2.96Å; T479-F510 HydrophobicContact CG2-CD2 3.94Å |
| 480 | F | 94.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -90 | -43.1 | 178.9 | -68.3 | -79.1 | 0 | 0 | 0 | 111.9 | L371 L474 R475 L477 P478 R502 F510 V512 V568 | L371-F480 HydrophobicContact CB-CD1 4.19Å; L371-F480 HydrophobicContact CB-CE1 3.88Å; L371-F480 HydrophobicContact CD1-CE1 4.46Å; L371-F480 HydrophobicContact CD2-CD1 3.91Å; L371-F480 HydrophobicContact CD2-CE1 3.78Å; L371-F480 HydrophobicContact CD2-CG 4.43Å; L371-F480 HydrophobicContact CD2-CZ 4.18Å; L371-F480 HydrophobicContact CG-CE1 4.25Å; L474-F480 HydrophobicContact CB-CE2 4.36Å; L474-F480 WeakPolarHBondContact O-CD2 3.38Å; R475-F480 WeakPolarHBondContact O-CB 3.5Å; L477-F480 HydrophobicContact CB-CD2 4.29Å; L477-F480 PolarHBondContact O-N 3.39Å; P478-F480 VanDerWaalsContact C-N 3.25Å; P478-F480 PolarHBondContact O-N 3.21Å; F480-R502 HydrophobicContact CD1-CB 4.38Å; F480-R502 HydrophobicContact CD1-CG 3.86Å; F480-R502 HydrophobicContact CE1-CB 4.14Å; F480-R502 HydrophobicContact CE1-CG 3.6Å; F480-R502 PolarHBondContact O-NH2 2.92Å; F480-F510 HydrophobicContact CD2-CD2 4.26Å; F480-F510 HydrophobicContact CE1-CB 4.44Å; F480-F510 HydrophobicContact CE2-CB 3.9Å; F480-F510 HydrophobicContact CE2-CD1 4.01Å; F480-F510 AromaticContact CE2-CD2 3.54Å; F480-F510 HydrophobicContact CE2-CD2 3.54Å; F480-F510 HydrophobicContact CE2-CE1 4.45Å; F480-F510 HydrophobicContact CE2-CE2 4.04Å; F480-F510 AromaticContact CE2-CG 3.53Å; F480-F510 HydrophobicContact CE2-CG 3.53Å; F480-F510 HydrophobicContact CE2-CZ 4.47Å; F480-F510 HydrophobicContact CZ-CB 3.5Å; F480-F510 HydrophobicContact CZ-CD1 4.29Å; F480-F510 HydrophobicContact CZ-CD2 4.06Å; F480-F510 AromaticContact CZ-CG 3.7Å; F480-F510 HydrophobicContact CZ-CG 3.7Å; F480-V512 HydrophobicContact CE1-CG2 4.2Å; F480-V512 HydrophobicContact CZ-CG2 4.46Å; F480-V568 HydrophobicContact CZ-CG1 4.45Å |
| 481 | A | 92.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72 | -46.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R475 L477 P478 S483 | R475-A481 WeakPolarHBondContact O-CB 3.2Å; R475-A481 PolarHBondContact O-N 3.4Å; L477-A481 PolarHBondContact O-N 2.93Å; P478-A481 PolarHBondContact O-N 3.43Å; A481-S483 VanDerWaalsContact C-N 3.32Å; A481-S483 PolarHBondContact O-N 3.19Å |
| 482 | Y | 87.5 | Confident | 93.2 | Very high | 131 Ų | 131 | 42.2 Ų | 42.2 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 29 | -166.5 | -56.7 | -41.1 | 0 | 0 | 0 | 114.2 | E19 P478 | E19-Y482 HydrophobicContact CG-CE1 4.23Å; P478-Y482 HydrophobicContact CB-CD2 3.72Å; P478-Y482 HydrophobicContact CB-CE2 3.95Å; P478-Y482 HydrophobicContact CG-CD2 4.43Å; P478-Y482 HydrophobicContact CG-CE2 4.14Å; P478-Y482 PolarHBondContact O-N 3.48Å |
| 483 | S | 86.6 | Confident | 92.8 | Very high | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 27% | 0.268 | C | S | . | . | trans | -150.5 | 137.6 | 176 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | P373 G374 A481 N486 R502 | P373-S483 VanDerWaalsContact CB-O 3.31Å; P373-S483 WeakPolarHBondContact CB-O 3.43Å; G374-S483 PolarHBondContact N-O 2.9Å; A481-S483 VanDerWaalsContact C-N 3.32Å; A481-S483 PolarHBondContact O-N 3.19Å; S483-N486 WeakPolarHBondContact OG-CB 3.33Å; S483-N486 PolarHBondContact OG-N 3.03Å; S483-R502 PolarHBondContact O-NH2 2.85Å | ||
| 484 | S | 89.9 | Confident | 92.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -102.8 | -21.1 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 113.8 | Q331 K338 W339 S340 P373 | Q331-S484 PolarHBondContact NE2-O 3.1Å; Q331-S484 VanDerWaalsContact NE2-O 3.12Å; Q331-S484 PolarHBondContact OE1-O 3.14Å; K338-S484 PolarHBondContact O-OG 2.62Å; W339-S484 WeakPolarHBondContact CA-OG 3.37Å; S340-S484 PolarHBondContact N-OG 3.22Å; S340-S484 PolarHBondContact OG-O 3.38Å; S340-S484 PolarHBondContact OG-OG 3.41Å; P373-S484 WeakPolarHBondContact CB-O 3.31Å; P373-S484 WeakPolarHBondContact CG-O 3.22Å |
| 485 | D | 88.9 | Confident | 92.5 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -112.9 | -18.3 | -170.6 | -48.1 | -61.2 | 0 | 0 | 0 | 113.1 | K334 V487 | K334-D485 WeakPolarHBondContact CE-OD1 3.29Å; K334-D485 IonicContact NZ-OD1 3.09Å; K334-D485 PolarHBondContact NZ-OD1 3.43Å; D485-V487 PolarHBondContact O-N 2.91Å |
| 486 | N | 87 | Confident | 92.4 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | trans | -75.5 | 84 | -174.8 | 168.4 | 30.4 | 0 | 0 | 0 | 111.5 | S483 R502 K503 | S483-N486 WeakPolarHBondContact OG-CB 3.33Å; S483-N486 PolarHBondContact OG-N 3.03Å; N486-R502 WeakPolarHBondContact O-CD 3.08Å; N486-R502 PolarHBondContact O-NE 2.93Å; N486-K503 PolarHBondContact ND2-N 3.35Å; N486-K503 PolarHBondContact ND2-O 3.05Å; N486-K503 PolarHBondContact OD1-N 3.04Å; N486-K503 PolarHBondContact OD1-O 3.07Å; N486-K503 VanDerWaalsContact OD1-O 3.05Å | ||
| 487 | V | 94.5 | Very high | 92.5 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | trans | -142 | 120.6 | 167.9 | 59 | 0 | 0 | 0 | 0 | 109.5 | Q331 L372 P373 D485 I489 F500 | Q331-V487 HydrophobicContact CG-CG1 3.76Å; L372-V487 HydrophobicContact CD2-CG2 4.26Å; P373-V487 HydrophobicContact CG-CB 3.94Å; P373-V487 HydrophobicContact CG-CG1 3.9Å; D485-V487 PolarHBondContact O-N 2.91Å; V487-I489 HydrophobicContact CG2-CD1 4.28Å; V487-F500 HydrophobicContact CG2-CB 3.91Å; V487-F500 HydrophobicContact CG2-CD2 3.87Å; V487-F500 HydrophobicContact CG2-CG 4.05Å | ||
| 488 | H | 95.3 | Very high | 92.7 | Very high | 103 Ų | 103 | 47.2 Ų | 47.2 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.3 | 175.3 | -58.5 | -72.9 | 0 | 0 | 0 | 109.4 | I490 F500 S501 | H488-I490 PolarHBondContact O-N 3.47Å; H488-F500 CarbonylContact O-C 3.54Å; H488-F500 WeakPolarHBondContact O-CA 3.23Å; H488-S501 PolarHBondContact N-O 3.1Å; H488-S501 VanDerWaalsContact N-O 3.08Å; H488-S501 PolarHBondContact O-N 2.87Å |
| 489 | I | 96.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 131.3 | 176.7 | -54.8 | -58.4 | 0 | 0 | 0 | 109.3 | I324 I327 V487 F500 | I324-I489 HydrophobicContact CD1-CG2 4.08Å; I324-I489 HydrophobicContact CG1-CG2 4.2Å; I324-I489 HydrophobicContact CG2-CG1 4.25Å; I324-I489 HydrophobicContact CG2-CG2 3.95Å; I327-I489 HydrophobicContact CG2-CD1 4.44Å; V487-I489 HydrophobicContact CG2-CD1 4.28Å; I489-F500 HydrophobicContact CD1-CB 4.01Å |
| 490 | I | 95 | Very high | 93 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119 | 177.3 | -53.2 | -51.6 | 0 | 0 | 0 | 108.2 | H488 C492 A499 L511 L528 S530 V531 | H488-I490 PolarHBondContact O-N 3.47Å; I490-C492 PolarHBondContact O-N 3.33Å; I490-A499 HydrophobicContact CB-CB 3.98Å; I490-A499 PolarHBondContact N-O 3.14Å; I490-L511 HydrophobicContact CG1-CD1 3.79Å; I490-L528 HydrophobicContact CG2-CD2 4.35Å; I490-S530 WeakPolarHBondContact CG2-OG 3.34Å; I490-V531 HydrophobicContact CD1-CB 4.18Å; I490-V531 HydrophobicContact CD1-CG2 3.99Å; I490-V531 HydrophobicContact CG1-CB 4.45Å; I490-V531 HydrophobicContact CG1-CG2 4.29Å |
| 491 | A | 92.3 | Very high | 93.1 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -63.9 | 121.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 492 | C | 92.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | trans | -119.6 | 132.6 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | I490 Q494 V497 | I490-C492 PolarHBondContact O-N 3.33Å; C492-Q494 PolarHBondContact O-N 3.38Å; C492-V497 HydrophobicContact CB-CB 4.13Å; C492-V497 HydrophobicContact CB-CG1 4.05Å | ||
| 493 | P | 90.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 73% | 0.734 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -70.6 | -17.7 | 177.3 | 23.9 | -28.9 | 0 | 0 | 0 | 113.2 | ||
| 494 | Q | 93.3 | Very high | 94 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -79.6 | 118.5 | 177 | -64.6 | 75.2 | 23.2 | 0 | 0 | 110.9 | C492 T496 V497 L524 K525 I526 | C492-Q494 PolarHBondContact O-N 3.38Å; Q494-T496 PolarHBondContact O-N 2.99Å; Q494-T496 VanDerWaalsContact O-N 3.09Å; Q494-V497 HydrophobicContact CB-CB 4.2Å; Q494-V497 HydrophobicContact CB-CG2 3.73Å; Q494-V497 PolarHBondContact O-N 3.36Å; Q494-L524 HydrophobicContact CB-CD1 4.29Å; Q494-L524 HydrophobicContact CG-CD1 4.32Å; Q494-L524 HydrophobicContact CG-CD2 4.49Å; Q494-K525 PolarHBondContact NE2-O 2.72Å; Q494-I526 HydrophobicContact CG-CG2 4.22Å |
| 495 | E | 92.5 | Very high | 94 | Very high | 177 Ų | 177 | 51 Ų | 51 | 83% | 0.827 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.5 | -174.3 | -61.8 | -174.3 | 168.1 | 0 | 0 | 114.5 | T320 | T320-E495 WeakPolarHBondContact CB-O 3.27Å; T320-E495 PolarHBondContact OG1-O 2.8Å |
| 496 | T | 94.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 51.2 Ų | 51.2 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.4 | 179.8 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | Q494 N515 L516 A517 | Q494-T496 PolarHBondContact O-N 2.99Å; Q494-T496 VanDerWaalsContact O-N 3.09Å; T496-N515 WeakPolarHBondContact CB-OD1 3.43Å; T496-N515 PolarHBondContact O-OD1 2.96Å; T496-N515 PolarHBondContact OG1-OD1 3.37Å; T496-L516 PolarHBondContact O-N 3.15Å; T496-A517 HydrophobicContact CG2-CB 3.95Å |
| 497 | V | 96.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.6 | -174.4 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | T320 C492 Q494 V513 L514 L524 I526 L561 | T320-V497 WeakPolarHBondContact CG2-O 3.19Å; C492-V497 HydrophobicContact CB-CB 4.13Å; C492-V497 HydrophobicContact CB-CG1 4.05Å; Q494-V497 HydrophobicContact CB-CB 4.2Å; Q494-V497 HydrophobicContact CB-CG2 3.73Å; Q494-V497 PolarHBondContact O-N 3.36Å; V497-V513 HydrophobicContact CG1-CG1 3.91Å; V497-L514 CarbonylContact C-O 3.58Å; V497-L514 WeakPolarHBondContact CA-O 3.24Å; V497-L524 HydrophobicContact CG2-CD1 3.85Å; V497-I526 HydrophobicContact CG2-CG2 4.35Å; V497-L561 HydrophobicContact CG2-CD1 4.33Å |
| 498 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.8 | 169.1 | -163.4 | 164.6 | 0 | 0 | 0 | 108 | T320 L323 I324 I327 L368 F500 L514 L516 | T320-L498 HydrophobicContact CG2-CB 3.62Å; T320-L498 HydrophobicContact CG2-CD1 4.33Å; T320-L498 HydrophobicContact CG2-CG 4.06Å; L323-L498 HydrophobicContact CB-CD1 3.89Å; L323-L498 HydrophobicContact CD1-CD1 4.27Å; I324-L498 HydrophobicContact CG1-CD1 4.3Å; I324-L498 HydrophobicContact CG1-CG 4.06Å; I327-L498 HydrophobicContact CD1-CD1 4.25Å; L368-L498 HydrophobicContact CD1-CD1 4.21Å; L368-L498 HydrophobicContact CD1-CD2 4.27Å; L498-F500 HydrophobicContact CD2-CD1 3.6Å; L498-F500 HydrophobicContact CD2-CE1 4.17Å; L498-L514 HydrophobicContact CB-CB 4.34Å; L498-L514 PolarHBondContact N-O 2.84Å; L498-L514 PolarHBondContact O-N 3.01Å; L498-L516 HydrophobicContact CB-CD1 3.77Å |
| 499 | A | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I490 L511 V512 V513 L528 | I490-A499 HydrophobicContact CB-CB 3.98Å; I490-A499 PolarHBondContact N-O 3.14Å; A499-L511 HydrophobicContact CB-CD1 4.48Å; A499-V512 CarbonylContact C-O 3.49Å; A499-V512 VanDerWaalsContact CA-O 3.24Å; A499-V512 WeakPolarHBondContact CA-O 3.34Å; A499-V513 HydrophobicContact CB-CG1 4.32Å; A499-L528 HydrophobicContact CB-CD2 4.28Å |
| 500 | F | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.4 | 174 | 65 | -91.2 | 0 | 0 | 0 | 111.7 | L368 L371 L372 V487 H488 I489 L498 R502 L511 V512 | L368-F500 HydrophobicContact CD1-CE1 4.03Å; L371-F500 HydrophobicContact CB-CE2 4.4Å; L371-F500 HydrophobicContact CB-CZ 4.05Å; L371-F500 VanDerWaalsContact O-CE2 3.31Å; L371-F500 WeakPolarHBondContact O-CE2 3.49Å; L372-F500 HydrophobicContact CD2-CE1 4.47Å; L372-F500 HydrophobicContact CD2-CZ 4.33Å; L372-F500 HydrophobicContact CG-CZ 4.48Å; V487-F500 HydrophobicContact CG2-CB 3.91Å; V487-F500 HydrophobicContact CG2-CD2 3.87Å; V487-F500 HydrophobicContact CG2-CG 4.05Å; H488-F500 CarbonylContact O-C 3.54Å; H488-F500 WeakPolarHBondContact O-CA 3.23Å; I489-F500 HydrophobicContact CD1-CB 4.01Å; L498-F500 HydrophobicContact CD2-CD1 3.6Å; L498-F500 HydrophobicContact CD2-CE1 4.17Å; F500-R502 HydrophobicContact CD2-CG 4.24Å; F500-R502 HydrophobicContact CE2-CG 4.06Å; F500-L511 WeakPolarHBondContact O-CD1 3.34Å; F500-V512 HydrophobicContact CD1-CB 4.2Å; F500-V512 HydrophobicContact CD1-CG1 4.5Å; F500-V512 HydrophobicContact CD2-CB 4.23Å; F500-V512 HydrophobicContact CD2-CG2 4.34Å; F500-V512 HydrophobicContact CE1-CB 3.79Å; F500-V512 HydrophobicContact CE1-CG1 3.74Å; F500-V512 HydrophobicContact CE1-CG2 4.48Å; F500-V512 HydrophobicContact CE2-CB 3.8Å; F500-V512 HydrophobicContact CE2-CG1 4.4Å; F500-V512 HydrophobicContact CE2-CG2 3.67Å; F500-V512 HydrophobicContact CG-CB 4.42Å; F500-V512 HydrophobicContact CZ-CB 3.59Å; F500-V512 HydrophobicContact CZ-CG1 3.7Å; F500-V512 HydrophobicContact CZ-CG2 3.78Å; F500-V512 PolarHBondContact N-O 2.88Å; F500-V512 PolarHBondContact O-N 2.88Å |
| 501 | S | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150.6 | 174.8 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | H488 F510 | H488-S501 PolarHBondContact N-O 3.1Å; H488-S501 VanDerWaalsContact N-O 3.08Å; H488-S501 PolarHBondContact O-N 2.87Å; S501-F510 CarbonylContact C-O 3.56Å; S501-F510 WeakPolarHBondContact CA-O 3.44Å; S501-F510 WeakPolarHBondContact CB-O 3.49Å |
| 502 | R | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.2 | 172.4 | -57.7 | -68.4 | -54.9 | -86.2 | -3.2 | 107.8 | L371 L372 T479 F480 S483 N486 F500 T509 F510 | L371-R502 PolarHBondContact O-NH1 2.94Å; L372-R502 PolarHBondContact O-NH1 3.41Å; T479-R502 HydrophobicContact CG2-CB 3.87Å; T479-R502 VanDerWaalsContact CG2-O 3.23Å; T479-R502 WeakPolarHBondContact CG2-O 3.39Å; T479-R502 PolarHBondContact O-NH2 3.43Å; F480-R502 HydrophobicContact CD1-CB 4.38Å; F480-R502 HydrophobicContact CD1-CG 3.86Å; F480-R502 HydrophobicContact CE1-CB 4.14Å; F480-R502 HydrophobicContact CE1-CG 3.6Å; F480-R502 PolarHBondContact O-NH2 2.92Å; S483-R502 PolarHBondContact O-NH2 2.85Å; N486-R502 WeakPolarHBondContact O-CD 3.08Å; N486-R502 PolarHBondContact O-NE 2.93Å; F500-R502 HydrophobicContact CD2-CG 4.24Å; F500-R502 HydrophobicContact CE2-CG 4.06Å; R502-T509 WeakPolarHBondContact O-CA 3.21Å; R502-F510 PolarHBondContact N-O 3.32Å; R502-F510 PolarHBondContact O-N 3.28Å |
| 503 | K | 94.1 | Very high | 95.2 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 32% | 0.317 | 26% | 0.257 | S | S | . | . | trans | -122.8 | 122.7 | -179.7 | -60 | -170.7 | -179.1 | -172.9 | 0 | 112.5 | N486 T509 V531 | N486-K503 PolarHBondContact ND2-N 3.35Å; N486-K503 PolarHBondContact ND2-O 3.05Å; N486-K503 PolarHBondContact OD1-N 3.04Å; N486-K503 PolarHBondContact OD1-O 3.07Å; N486-K503 VanDerWaalsContact OD1-O 3.05Å; K503-T509 HydrophobicContact CD-CG2 4.23Å; K503-T509 HydrophobicContact CG-CG2 3.61Å; K503-V531 PolarHBondContact NZ-O 3.48Å | ||
| 504 | L | 93.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | trans | -126.8 | 128.5 | 172.6 | -176.1 | 67.1 | 0 | 0 | 0 | 109.1 | P478 T479 G506 F507 | P478-L504 HydrophobicContact CB-CD2 4.26Å; P478-L504 WeakPolarHBondContact O-CD2 3.29Å; T479-L504 HydrophobicContact CG2-CB 4.19Å; L504-G506 PolarHBondContact O-N 3Å; L504-F507 HydrophobicContact CB-CB 4.36Å; L504-F507 HydrophobicContact CB-CD2 4.18Å; L504-F507 HydrophobicContact CD2-CD2 3.48Å; L504-F507 VanDerWaalsContact CD2-CD2 3.48Å; L504-F507 HydrophobicContact CD2-CE2 3.78Å; L504-F507 HydrophobicContact CD2-CG 4.26Å; L504-F507 HydrophobicContact CG-CD2 3.69Å; L504-F507 HydrophobicContact CG-CE2 4.25Å; L504-F507 PolarHBondContact O-N 3.46Å | ||
| 505 | N | 91.3 | Very high | 95.6 | Very high | 159 Ų | 159 | 36.8 Ų | 36.8 | 85% | 0.85 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 129.6 | -177.2 | -72.5 | -17.9 | 0 | 0 | 0 | 111.2 | F507 | N505-F507 VanDerWaalsContact C-N 3.29Å; N505-F507 WeakPolarHBondContact O-CD2 3.32Å; N505-F507 PolarHBondContact O-N 3.25Å |
| 506 | G | 92.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 29.5 Ų | 29.5 | 91% | 0.907 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -3.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L504 | L504-G506 PolarHBondContact O-N 3Š|
| 507 | F | 94.5 | Very high | 95.6 | Very high | 106 Ų | 106 | 27.8 Ų | 27.8 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -121.1 | 168.7 | 179 | -59.9 | -84.8 | 0 | 0 | 0 | 112 | P478 T479 L504 N505 | P478-F507 HydrophobicContact CB-CD1 3.49Å; P478-F507 VanDerWaalsContact CB-CD1 3.49Å; P478-F507 HydrophobicContact CB-CD2 4.18Å; P478-F507 HydrophobicContact CB-CE1 3.43Å; P478-F507 VanDerWaalsContact CB-CE1 3.43Å; P478-F507 HydrophobicContact CB-CE2 4.13Å; P478-F507 HydrophobicContact CB-CG 3.87Å; P478-F507 HydrophobicContact CB-CZ 3.76Å; P478-F507 HydrophobicContact CG-CD1 3.74Å; P478-F507 HydrophobicContact CG-CE1 3.5Å; P478-F507 VanDerWaalsContact CG-CE1 3.5Å; P478-F507 HydrophobicContact CG-CZ 4.16Å; T479-F507 WeakPolarHBondContact OG1-CB 3.37Å; L504-F507 HydrophobicContact CB-CB 4.36Å; L504-F507 HydrophobicContact CB-CD2 4.18Å; L504-F507 HydrophobicContact CD2-CD2 3.48Å; L504-F507 VanDerWaalsContact CD2-CD2 3.48Å; L504-F507 HydrophobicContact CD2-CE2 3.78Å; L504-F507 HydrophobicContact CD2-CG 4.26Å; L504-F507 HydrophobicContact CG-CD2 3.69Å; L504-F507 HydrophobicContact CG-CE2 4.25Å; L504-F507 PolarHBondContact O-N 3.46Å; N505-F507 VanDerWaalsContact C-N 3.29Å; N505-F507 WeakPolarHBondContact O-CD2 3.32Å; N505-F507 PolarHBondContact O-N 3.25Å |
| 508 | A | 94.1 | Very high | 95.2 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 31% | 0.306 | 19% | 0.192 | S | C | . | . | trans | -65.5 | 140.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T479 F510 K570 | T479-A508 WeakPolarHBondContact CG2-O 3.49Å; T479-A508 PolarHBondContact OG1-O 2.96Å; A508-F510 HydrophobicContact CB-CE2 3.89Å; A508-F510 HydrophobicContact CB-CZ 4.06Å; A508-F510 WeakPolarHBondContact O-CD2 3.16Å; A508-F510 WeakPolarHBondContact O-CE2 3.4Å; A508-K570 HydrophobicContact CB-CD 4.26Å; A508-K570 HydrophobicContact CB-CG 4.17Å | ||
| 509 | T | 95.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 17% | 0.172 | 21% | 0.211 | C | C | . | . | trans | -85 | 136.6 | 170.9 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | R502 K503 I571 | R502-T509 WeakPolarHBondContact O-CA 3.21Å; K503-T509 HydrophobicContact CD-CG2 4.23Å; K503-T509 HydrophobicContact CG-CG2 3.61Å; T509-I571 HydrophobicContact CG2-CB 4.07Å; T509-I571 HydrophobicContact CG2-CG1 3.65Å; T509-I571 PolarHBondContact O-N 3.27Å | ||
| 510 | F | 96.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 4% | 0.044 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.4 | 175.2 | -64 | -89.7 | 0 | 0 | 0 | 111.2 | L477 T479 F480 S501 R502 A508 V541 V568 L569 K570 | L477-F510 HydrophobicContact CD1-CE1 4.17Å; L477-F510 HydrophobicContact CD1-CE2 4.08Å; L477-F510 HydrophobicContact CD1-CZ 3.54Å; T479-F510 HydrophobicContact CG2-CD2 3.94Å; F480-F510 HydrophobicContact CD2-CD2 4.26Å; F480-F510 HydrophobicContact CE1-CB 4.44Å; F480-F510 HydrophobicContact CE2-CB 3.9Å; F480-F510 HydrophobicContact CE2-CD1 4.01Å; F480-F510 AromaticContact CE2-CD2 3.54Å; F480-F510 HydrophobicContact CE2-CD2 3.54Å; F480-F510 HydrophobicContact CE2-CE1 4.45Å; F480-F510 HydrophobicContact CE2-CE2 4.04Å; F480-F510 AromaticContact CE2-CG 3.53Å; F480-F510 HydrophobicContact CE2-CG 3.53Å; F480-F510 HydrophobicContact CE2-CZ 4.47Å; F480-F510 HydrophobicContact CZ-CB 3.5Å; F480-F510 HydrophobicContact CZ-CD1 4.29Å; F480-F510 HydrophobicContact CZ-CD2 4.06Å; F480-F510 AromaticContact CZ-CG 3.7Å; F480-F510 HydrophobicContact CZ-CG 3.7Å; S501-F510 CarbonylContact C-O 3.56Å; S501-F510 WeakPolarHBondContact CA-O 3.44Å; S501-F510 WeakPolarHBondContact CB-O 3.49Å; R502-F510 PolarHBondContact N-O 3.32Å; R502-F510 PolarHBondContact O-N 3.28Å; A508-F510 HydrophobicContact CB-CE2 3.89Å; A508-F510 HydrophobicContact CB-CZ 4.06Å; A508-F510 WeakPolarHBondContact O-CD2 3.16Å; A508-F510 WeakPolarHBondContact O-CE2 3.4Å; F510-V541 HydrophobicContact CE1-CG2 4.23Å; F510-V568 HydrophobicContact CD1-CG1 4.33Å; F510-L569 CarbonylContact C-O 3.58Å; F510-L569 WeakPolarHBondContact CA-O 3.45Å; F510-K570 HydrophobicContact CD1-CB 4.09Å; F510-K570 HydrophobicContact CE1-CB 3.91Å; F510-K570 HydrophobicContact CE1-CG 4.26Å |
| 511 | L | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.3 | 171.8 | 173.4 | 61.1 | 0 | 0 | 0 | 108.2 | I490 A499 F500 V513 L528 V531 L556 V568 L569 I571 | I490-L511 HydrophobicContact CG1-CD1 3.79Å; A499-L511 HydrophobicContact CB-CD1 4.48Å; F500-L511 WeakPolarHBondContact O-CD1 3.34Å; L511-V513 HydrophobicContact CD1-CG2 4.46Å; L511-V513 HydrophobicContact CD2-CG2 4.35Å; L511-V513 HydrophobicContact CG-CG2 3.91Å; L511-L528 HydrophobicContact CD2-CB 3.9Å; L511-L528 HydrophobicContact CD2-CD1 3.63Å; L511-L528 HydrophobicContact CD2-CG 4.27Å; L511-L528 HydrophobicContact CG-CD1 4.45Å; L511-V531 HydrophobicContact CB-CG2 4.46Å; L511-V531 HydrophobicContact CD1-CG2 4.11Å; L511-V531 HydrophobicContact CD2-CB 4.22Å; L511-V531 HydrophobicContact CD2-CG1 4.21Å; L511-V531 HydrophobicContact CD2-CG2 4.22Å; L511-L556 HydrophobicContact CD2-CD2 4.2Å; L511-V568 WeakPolarHBondContact O-CA 3.35Å; L511-L569 HydrophobicContact CB-CB 4.25Å; L511-L569 HydrophobicContact CD2-CD1 4.21Å; L511-L569 PolarHBondContact N-O 2.93Å; L511-L569 PolarHBondContact O-N 3.47Å; L511-I571 HydrophobicContact CB-CD1 3.98Å; L511-I571 HydrophobicContact CD2-CD1 4.33Å |
| 512 | V | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.9 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | L371 F480 A499 F500 L514 V568 | L371-V512 HydrophobicContact CB-CG2 4.01Å; L371-V512 HydrophobicContact CD1-CB 4.48Å; L371-V512 HydrophobicContact CD1-CG1 3.93Å; L371-V512 HydrophobicContact CD1-CG2 3.66Å; L371-V512 HydrophobicContact CG-CG2 4.49Å; F480-V512 HydrophobicContact CE1-CG2 4.2Å; F480-V512 HydrophobicContact CZ-CG2 4.46Å; A499-V512 CarbonylContact C-O 3.49Å; A499-V512 VanDerWaalsContact CA-O 3.24Å; A499-V512 WeakPolarHBondContact CA-O 3.34Å; F500-V512 HydrophobicContact CD1-CB 4.2Å; F500-V512 HydrophobicContact CD1-CG1 4.5Å; F500-V512 HydrophobicContact CD2-CB 4.23Å; F500-V512 HydrophobicContact CD2-CG2 4.34Å; F500-V512 HydrophobicContact CE1-CB 3.79Å; F500-V512 HydrophobicContact CE1-CG1 3.74Å; F500-V512 HydrophobicContact CE1-CG2 4.48Å; F500-V512 HydrophobicContact CE2-CB 3.8Å; F500-V512 HydrophobicContact CE2-CG1 4.4Å; F500-V512 HydrophobicContact CE2-CG2 3.67Å; F500-V512 HydrophobicContact CG-CB 4.42Å; F500-V512 HydrophobicContact CZ-CB 3.59Å; F500-V512 HydrophobicContact CZ-CG1 3.7Å; F500-V512 HydrophobicContact CZ-CG2 3.78Å; F500-V512 PolarHBondContact N-O 2.88Å; F500-V512 PolarHBondContact O-N 2.88Å; V512-L514 HydrophobicContact CG1-CD2 3.89Å; V512-L514 HydrophobicContact CG1-CG 4.18Å; V512-V568 HydrophobicContact CG2-CG1 4.41Å |
| 513 | V | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.4 | -178 | -164.7 | 0 | 0 | 0 | 0 | 108.7 | V497 A499 L511 I526 L528 L561 L567 L569 | V497-V513 HydrophobicContact CG1-CG1 3.91Å; A499-V513 HydrophobicContact CB-CG1 4.32Å; L511-V513 HydrophobicContact CD1-CG2 4.46Å; L511-V513 HydrophobicContact CD2-CG2 4.35Å; L511-V513 HydrophobicContact CG-CG2 3.91Å; V513-I526 HydrophobicContact CG1-CD1 3.69Å; V513-L528 HydrophobicContact CG1-CD1 4.28Å; V513-L528 HydrophobicContact CG2-CD1 3.46Å; V513-L528 VanDerWaalsContact CG2-CD1 3.46Å; V513-L561 HydrophobicContact CG1-CD1 3.71Å; V513-L567 HydrophobicContact CB-CB 4.25Å; V513-L567 PolarHBondContact N-O 3.32Å; V513-L567 PolarHBondContact O-N 2.9Å; V513-L569 HydrophobicContact CG2-CD1 4.44Å |
| 514 | L | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121 | -177 | -51.5 | 179.7 | 0 | 0 | 0 | 108.4 | V364 A367 L368 V497 L498 V512 L516 Q565 V566 | V364-L514 HydrophobicContact CG1-CB 4.08Å; V364-L514 HydrophobicContact CG1-CD1 4.34Å; A367-L514 HydrophobicContact CB-CD2 3.67Å; L368-L514 HydrophobicContact CB-CD1 3.77Å; L368-L514 HydrophobicContact CD1-CD1 3.85Å; L368-L514 HydrophobicContact CG-CD1 4.35Å; V497-L514 CarbonylContact C-O 3.58Å; V497-L514 WeakPolarHBondContact CA-O 3.24Å; L498-L514 HydrophobicContact CB-CB 4.34Å; L498-L514 PolarHBondContact N-O 2.84Å; L498-L514 PolarHBondContact O-N 3.01Å; V512-L514 HydrophobicContact CG1-CD2 3.89Å; V512-L514 HydrophobicContact CG1-CG 4.18Å; L514-L516 HydrophobicContact CB-CD1 3.76Å; L514-L516 WeakPolarHBondContact O-CD1 3.42Å; L514-Q565 WeakPolarHBondContact CA-O 3.13Å; L514-V566 HydrophobicContact CD2-CB 4.25Å; L514-V566 HydrophobicContact CD2-CG1 3.91Å; L514-V566 HydrophobicContact CD2-CG2 3.97Å |
| 515 | N | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.3 | 165.2 | -171.3 | 4.9 | 0 | 0 | 0 | 109.2 | T496 A517 L561 G562 P564 Q565 | T496-N515 WeakPolarHBondContact CB-OD1 3.43Å; T496-N515 PolarHBondContact O-OD1 2.96Å; T496-N515 PolarHBondContact OG1-OD1 3.37Å; N515-A517 VanDerWaalsContact C-N 3.29Å; N515-A517 VanDerWaalsContact OD1-CB 3.28Å; N515-A517 WeakPolarHBondContact OD1-CB 3.37Å; N515-A517 PolarHBondContact OD1-N 3.36Å; N515-A517 VanDerWaalsContact OD1-N 3.09Å; N515-L561 HydrophobicContact CB-CD1 4.3Å; N515-G562 WeakPolarHBondContact CB-O 3.48Å; N515-G562 PolarHBondContact ND2-O 3.35Å; N515-P564 VanDerWaalsContact O-CA 3.26Å; N515-P564 WeakPolarHBondContact O-CA 3.49Å; N515-Q565 PolarHBondContact N-O 2.99Å; N515-Q565 PolarHBondContact O-N 2.8Å |
| 516 | L | 94.1 | Very high | 92.8 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | trans | -88.1 | 7.9 | -179.7 | -69.7 | 77.3 | 0 | 0 | 0 | 112.4 | W314 L323 F361 V364 T496 L498 L514 | W314-L516 HydrophobicContact CH2-CD2 4.49Å; W314-L516 HydrophobicContact CZ2-CD2 3.66Å; W314-L516 HydrophobicContact CZ2-CG 4.39Å; L323-L516 HydrophobicContact CD1-CD2 3.31Å; F361-L516 WeakPolarHBondContact CE1-O 3.15Å; V364-L516 HydrophobicContact CG1-CD1 4.26Å; V364-L516 HydrophobicContact CG1-CG 4.01Å; T496-L516 PolarHBondContact O-N 3.15Å; L498-L516 HydrophobicContact CB-CD1 3.77Å; L514-L516 HydrophobicContact CB-CD1 3.76Å; L514-L516 WeakPolarHBondContact O-CD1 3.42Å | ||
| 517 | A | 92 | Very high | 92.9 | Very high | 11 Ų | 11 | 54 Ų | 54 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 147.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T496 N515 A521 P564 | T496-A517 HydrophobicContact CG2-CB 3.95Å; N515-A517 VanDerWaalsContact C-N 3.29Å; N515-A517 VanDerWaalsContact OD1-CB 3.28Å; N515-A517 WeakPolarHBondContact OD1-CB 3.37Å; N515-A517 PolarHBondContact OD1-N 3.36Å; N515-A517 VanDerWaalsContact OD1-N 3.09Å; A517-A521 HydrophobicContact CB-CB 3.67Å; A517-P564 WeakPolarHBondContact O-CA 3.46Å |
| 518 | S | 87.1 | Confident | 92.8 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -60 | 157.4 | 175.6 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | R520 A521 S563 | S518-R520 PolarHBondContact O-N 3.09Å; S518-A521 PolarHBondContact O-N 3.43Å; S518-S563 WeakPolarHBondContact O-CB 3.49Å; S518-S563 PolarHBondContact O-OG 3.35Å; S518-S563 VanDerWaalsContact O-OG 3.09Å |
| 519 | S | 81.3 | Confident | 92.7 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 136.1 | 172.5 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | P564 | S519-P564 WeakPolarHBondContact OG-CD 3.37Š|
| 520 | R | 82.4 | Confident | 92.5 | Very high | 249 Ų | 249 | 51.7 Ų | 51.7 | 94% | 0.94 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 6.3 | -176.3 | -46.6 | 169.6 | -179.2 | 178.9 | 0 | 116.8 | S518 | S518-R520 PolarHBondContact O-N 3.09Š|
| 521 | A | 86.9 | Confident | 92.2 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 151.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A517 S518 S563 | A517-A521 HydrophobicContact CB-CB 3.67Å; S518-A521 PolarHBondContact O-N 3.43Å; A521-S563 WeakPolarHBondContact CB-OG 3.32Å; A521-S563 PolarHBondContact N-OG 3.35Å; A521-S563 PolarHBondContact O-OG 2.92Å |
| 522 | P | 90 | Very high | 91.7 | Very high | 101 Ų | 101 | 53.9 Ų | 53.9 | 66% | 0.656 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 154.9 | 178.9 | 26.5 | -34.6 | 0 | 0 | 0 | 111.5 | L524 | P522-L524 PolarHBondContact O-N 3.25Š|
| 523 | L | 92.7 | Very high | 91 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 133.2 | 172.1 | -66.6 | 176.6 | 0 | 0 | 0 | 110.1 | T560 L561 | L523-T560 HydrophobicContact CB-CG2 4.02Å; L523-T560 HydrophobicContact CD1-CG2 4.08Å; L523-T560 HydrophobicContact CD2-CG2 4.28Å; L523-T560 HydrophobicContact CG-CG2 4.36Å; L523-L561 CarbonylContact C-O 3.56Å; L523-L561 VanDerWaalsContact CA-O 3.31Å; L523-L561 WeakPolarHBondContact CA-O 3.39Å |
| 524 | L | 93.7 | Very high | 90.4 | Very high | 37 Ų | 37 | 70.1 Ų | 70.1 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.4 | 175.6 | -60.5 | 178.7 | 0 | 0 | 0 | 109.6 | Q494 V497 P522 I526 T560 L561 | Q494-L524 HydrophobicContact CB-CD1 4.29Å; Q494-L524 HydrophobicContact CG-CD1 4.32Å; Q494-L524 HydrophobicContact CG-CD2 4.49Å; V497-L524 HydrophobicContact CG2-CD1 3.85Å; P522-L524 PolarHBondContact O-N 3.25Å; L524-I526 HydrophobicContact CB-CG2 4.3Å; L524-T560 CarbonylContact O-C 3.27Å; L524-T560 VanDerWaalsContact O-CA 3.25Å; L524-T560 WeakPolarHBondContact O-CA 3.43Å; L524-L561 HydrophobicContact CB-CB 4.48Å; L524-L561 PolarHBondContact N-O 2.88Å; L524-L561 PolarHBondContact O-N 3.16Å |
| 525 | K | 93.5 | Very high | 90 | Very high | 153 Ų | 153 | 70.3 Ų | 70.3 | 67% | 0.665 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.9 | 161.8 | -72.2 | -171.1 | 179.5 | -175.3 | 0 | 108.8 | Q494 I559 | Q494-K525 PolarHBondContact NE2-O 2.72Å; K525-I559 CarbonylContact C-O 3.51Å; K525-I559 WeakPolarHBondContact CA-O 3.39Å |
| 526 | I | 94.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.4 | -179 | 65.6 | 169.3 | 0 | 0 | 0 | 110.8 | Q494 V497 V513 L524 L528 I559 L561 | Q494-I526 HydrophobicContact CG-CG2 4.22Å; V497-I526 HydrophobicContact CG2-CG2 4.35Å; V513-I526 HydrophobicContact CG1-CD1 3.69Å; L524-I526 HydrophobicContact CB-CG2 4.3Å; I526-L528 HydrophobicContact CD1-CD1 3.7Å; I526-L528 HydrophobicContact CD1-CD2 3.98Å; I526-L528 HydrophobicContact CD1-CG 3.81Å; I526-L528 HydrophobicContact CG1-CD1 4.42Å; I526-L528 HydrophobicContact CG1-CG 4.2Å; I526-I559 HydrophobicContact CD1-CB 4.41Å; I526-I559 HydrophobicContact CD1-CG2 4.3Å; I526-I559 HydrophobicContact CG1-CB 3.85Å; I526-I559 HydrophobicContact CG1-CG2 4.14Å; I526-I559 PolarHBondContact N-O 2.9Å; I526-I559 PolarHBondContact O-N 3.46Å; I526-L561 HydrophobicContact CD1-CD1 3.41Å; I526-L561 VanDerWaalsContact CD1-CD1 3.41Å; I526-L561 HydrophobicContact CD1-CG 3.93Å; I526-L561 HydrophobicContact CG1-CD1 4.26Å; I526-L561 HydrophobicContact CG1-CG 4.39Å; I526-L561 HydrophobicContact CG2-CD1 4.47Å |
| 527 | D | 94.2 | Very high | 89.9 | Confident | 83 Ų | 83 | 80.8 Ų | 80.8 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -107.2 | 118.4 | 172.4 | -175.2 | -14.2 | 0 | 0 | 0 | 108.1 | S529 N557 | D527-S529 WeakPolarHBondContact OD1-CB 3.08Å; D527-S529 PolarHBondContact OD1-N 3.36Å; D527-S529 PolarHBondContact OD1-OG 3.18Å; D527-N557 WeakPolarHBondContact OD1-CA 3.27Å | ||
| 528 | L | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.41 | C | S | . | . | trans | -114.1 | 14.5 | 179.9 | -62.9 | 179.5 | 0 | 0 | 0 | 112.2 | I490 A499 L511 V513 I526 S530 V531 L556 I559 L569 | I490-L528 HydrophobicContact CG2-CD2 4.35Å; A499-L528 HydrophobicContact CB-CD2 4.28Å; L511-L528 HydrophobicContact CD2-CB 3.9Å; L511-L528 HydrophobicContact CD2-CD1 3.63Å; L511-L528 HydrophobicContact CD2-CG 4.27Å; L511-L528 HydrophobicContact CG-CD1 4.45Å; V513-L528 HydrophobicContact CG1-CD1 4.28Å; V513-L528 HydrophobicContact CG2-CD1 3.46Å; V513-L528 VanDerWaalsContact CG2-CD1 3.46Å; I526-L528 HydrophobicContact CD1-CD1 3.7Å; I526-L528 HydrophobicContact CD1-CD2 3.98Å; I526-L528 HydrophobicContact CD1-CG 3.81Å; I526-L528 HydrophobicContact CG1-CD1 4.42Å; I526-L528 HydrophobicContact CG1-CG 4.2Å; L528-S530 PolarHBondContact O-N 3.46Å; L528-S530 VanDerWaalsContact O-N 3.15Å; L528-V531 WeakPolarHBondContact O-CB 3.26Å; L528-V531 WeakPolarHBondContact O-CG1 3.32Å; L528-V531 PolarHBondContact O-N 3Å; L528-L556 HydrophobicContact CB-CD2 4.22Å; L528-L556 PolarHBondContact N-O 3.16Å; L528-I559 HydrophobicContact CB-CD1 4.34Å; L528-I559 HydrophobicContact CD1-CD1 3.51Å; L528-I559 HydrophobicContact CG-CD1 4.17Å; L528-L569 HydrophobicContact CD1-CD1 4.32Å | ||
| 529 | S | 91.6 | Very high | 90.5 | Very high | 50 Ų | 50 | 78.8 Ų | 78.8 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -61.1 | -21.5 | 179.9 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | D527 V531 D532 | D527-S529 WeakPolarHBondContact OD1-CB 3.08Å; D527-S529 PolarHBondContact OD1-N 3.36Å; D527-S529 PolarHBondContact OD1-OG 3.18Å; S529-V531 PolarHBondContact O-N 3.36Å; S529-D532 CarbonylContact O-C 3.47Å; S529-D532 PolarHBondContact O-N 2.98Å |
| 530 | S | 90.4 | Very high | 91.2 | Very high | 74 Ų | 74 | 76.1 Ų | 76.1 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -68.7 | -9.8 | 176.9 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | I490 L528 D532 | I490-S530 WeakPolarHBondContact CG2-OG 3.34Å; L528-S530 PolarHBondContact O-N 3.46Å; L528-S530 VanDerWaalsContact O-N 3.15Å; S530-D532 VanDerWaalsContact C-N 3.26Å; S530-D532 PolarHBondContact O-N 3.04Å |
| 531 | V | 89.9 | Confident | 91.9 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -64.5 | -32.9 | 176.9 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | I490 K503 L511 L528 S529 L556 I571 | I490-V531 HydrophobicContact CD1-CB 4.18Å; I490-V531 HydrophobicContact CD1-CG2 3.99Å; I490-V531 HydrophobicContact CG1-CB 4.45Å; I490-V531 HydrophobicContact CG1-CG2 4.29Å; K503-V531 PolarHBondContact NZ-O 3.48Å; L511-V531 HydrophobicContact CB-CG2 4.46Å; L511-V531 HydrophobicContact CD1-CG2 4.11Å; L511-V531 HydrophobicContact CD2-CB 4.22Å; L511-V531 HydrophobicContact CD2-CG1 4.21Å; L511-V531 HydrophobicContact CD2-CG2 4.22Å; L528-V531 WeakPolarHBondContact O-CB 3.26Å; L528-V531 WeakPolarHBondContact O-CG1 3.32Å; L528-V531 PolarHBondContact O-N 3Å; S529-V531 PolarHBondContact O-N 3.36Å; V531-L556 HydrophobicContact CG1-CD1 3.97Å; V531-I571 HydrophobicContact CG1-CD1 3.84Å; V531-I571 HydrophobicContact CG2-CD1 4.48Å |
| 532 | D | 87.3 | Confident | 92.4 | Very high | 49 Ų | 49 | 65.1 Ų | 65.1 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -164.2 | 106.9 | -177.6 | -171.2 | -30.3 | 0 | 0 | 0 | 108.1 | S529 S530 E534 A535 | S529-D532 CarbonylContact O-C 3.47Å; S529-D532 PolarHBondContact O-N 2.98Å; S530-D532 VanDerWaalsContact C-N 3.26Å; S530-D532 PolarHBondContact O-N 3.04Å; D532-E534 PolarHBondContact O-N 3.47Å; D532-E534 VanDerWaalsContact O-N 3.11Å; D532-E534 WeakPolarHBondContact OD1-CB 3.3Å; D532-E534 PolarHBondContact OD1-N 3.06Å; D532-A535 HydrophobicContact CB-CB 3.82Å; D532-A535 PolarHBondContact O-N 3.18Å; D532-A535 PolarHBondContact OD1-N 3.26Å | ||
| 533 | E | 83.5 | Confident | 92.6 | Very high | 194 Ų | 194 | 60.9 Ų | 60.9 | 91% | 0.907 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.5 | -179 | -63.7 | -177.7 | 177.3 | 0 | 0 | 112.8 | ||
| 534 | E | 85.6 | Confident | 92.7 | Very high | 146 Ų | 146 | 55.3 Ų | 55.3 | 68% | 0.682 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.4 | 177.8 | -59.8 | -167.5 | 169.4 | 0 | 0 | 112.4 | D532 S574 | D532-E534 PolarHBondContact O-N 3.47Å; D532-E534 VanDerWaalsContact O-N 3.11Å; D532-E534 WeakPolarHBondContact OD1-CB 3.3Å; D532-E534 PolarHBondContact OD1-N 3.06Å; E534-S574 WeakPolarHBondContact O-CB 3.47Å; E534-S574 PolarHBondContact O-OG 3.12Å |
| 535 | A | 89.7 | Confident | 92.6 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | trans | -98.4 | 125.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D532 L556 I571 | D532-A535 HydrophobicContact CB-CB 3.82Å; D532-A535 PolarHBondContact O-N 3.18Å; D532-A535 PolarHBondContact OD1-N 3.26Å; A535-L556 HydrophobicContact CB-CD1 4.05Å; A535-I571 HydrophobicContact CB-CG2 3.45Å; A535-I571 VanDerWaalsContact CB-CG2 3.45Å | ||
| 536 | Q | 92.1 | Very high | 92.2 | Very high | 128 Ų | 128 | 57.7 Ų | 57.7 | 60% | 0.598 | 28% | 0.284 | S | S | * | . | trans | -99.3 | -22.4 | 176.6 | -66.4 | -176.5 | -7.5 | 0 | 0 | 113.3 | L556 | Q536-L556 PolarHBondContact O-N 2.93Š| ||
| 537 | Y | 94.6 | Very high | 91.6 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.6 | -170.7 | -62.2 | -83.9 | 0 | 0 | 0 | 111.2 | T553 V554 P555 L572 | Y537-T553 HydrophobicContact CD1-CG2 3.88Å; Y537-T553 HydrophobicContact CG-CG2 4.02Å; Y537-V554 WeakPolarHBondContact CA-O 3.48Å; Y537-P555 HydrophobicContact CD1-CB 4.27Å; Y537-P555 HydrophobicContact CE1-CB 4.13Å; Y537-L572 PolarHBondContact O-N 2.8Å |
| 538 | A | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T553 V554 L556 L569 K570 I571 | A538-T553 CarbonylContact O-C 3.58Å; A538-T553 WeakPolarHBondContact O-CA 3.36Å; A538-V554 PolarHBondContact N-O 3.43Å; A538-V554 PolarHBondContact O-N 3.47Å; A538-L556 HydrophobicContact CB-CD2 3.79Å; A538-L556 HydrophobicContact CB-CG 4.18Å; A538-L569 HydrophobicContact CB-CB 3.92Å; A538-L569 HydrophobicContact CB-CD1 4.39Å; A538-K570 CarbonylContact C-O 3.57Å; A538-K570 VanDerWaalsContact CA-O 3.32Å; A538-K570 WeakPolarHBondContact CA-O 3.35Å; A538-K570 WeakPolarHBondContact CB-O 3.48Å; A538-I571 HydrophobicContact CB-CD1 4.1Å |
| 539 | E | 96.6 | Very high | 90.7 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.1 | 176.4 | -176.3 | -176.8 | 118.3 | 0 | 0 | 110 | V541 N551 S552 L569 K570 L572 | E539-V541 PolarHBondContact O-N 2.87Å; E539-N551 HydrophobicContact CG-CB 4.34Å; E539-N551 PolarHBondContact OE1-OD1 3.5Å; E539-S552 WeakPolarHBondContact CA-O 3.39Å; E539-L569 CarbonylContact O-C 3.57Å; E539-L569 VanDerWaalsContact O-CA 3.31Å; E539-L569 WeakPolarHBondContact O-CA 3.46Å; E539-K570 HydrophobicContact CB-CB 4.4Å; E539-K570 PolarHBondContact N-O 3.18Å; E539-K570 PolarHBondContact O-N 3.42Å; E539-L572 HydrophobicContact CB-CD2 4.24Å; E539-L572 HydrophobicContact CB-CG 4.44Å |
| 540 | I | 96.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 111.4 | 177 | -58.5 | -81.4 | 0 | 0 | 0 | 109 | D543 Y548 N551 S552 V554 L567 L569 | I540-D543 HydrophobicContact CG2-CB 4.32Å; I540-Y548 HydrophobicContact CD1-CD1 4.21Å; I540-Y548 HydrophobicContact CD1-CD2 3.99Å; I540-Y548 HydrophobicContact CD1-CG 3.73Å; I540-Y548 HydrophobicContact CG1-CG 4.25Å; I540-N551 WeakPolarHBondContact O-CA 3.17Å; I540-N551 PolarHBondContact O-N 3.42Å; I540-S552 WeakPolarHBondContact CG1-O 3.42Å; I540-S552 PolarHBondContact N-O 3.15Å; I540-V554 HydrophobicContact CD1-CG1 3.88Å; I540-V554 HydrophobicContact CD1-CG2 3.93Å; I540-V554 HydrophobicContact CG1-CG1 3.85Å; I540-V554 HydrophobicContact CG1-CG2 4.27Å; I540-L567 HydrophobicContact CD1-CD1 3.74Å; I540-L567 HydrophobicContact CD1-CD2 4.32Å; I540-L567 HydrophobicContact CD1-CG 4.33Å; I540-L567 HydrophobicContact CG2-CD1 4.44Å; I540-L569 HydrophobicContact CD1-CD2 3.43Å; I540-L569 VanDerWaalsContact CD1-CD2 3.43Å; I540-L569 HydrophobicContact CG1-CD2 4.25Å |
| 541 | V | 96.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -31 | 178.7 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | L474 F510 E539 F550 V568 K570 | L474-V541 HydrophobicContact CD2-CG1 3.42Å; L474-V541 VanDerWaalsContact CD2-CG1 3.42Å; F510-V541 HydrophobicContact CE1-CG2 4.23Å; E539-V541 PolarHBondContact O-N 2.87Å; V541-F550 WeakPolarHBondContact O-CD2 3.39Å; V541-F550 WeakPolarHBondContact O-CE2 3.46Å; V541-V568 PolarHBondContact N-O 2.87Å; V541-K570 HydrophobicContact CG2-CB 3.49Å; V541-K570 VanDerWaalsContact CG2-CB 3.49Å |
| 542 | H | 96.8 | Very high | 90.8 | Very high | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.6 | 175 | -171.2 | 64 | 0 | 0 | 0 | 111.2 | H467 L474 L567 V568 | H467-H542 AromaticContact CE1-CD2 3.82Å; H467-H542 AromaticContact CE1-NE2 3.04Å; H467-H542 PolarHBondContact CE1-NE2 3.45Å; H467-H542 AromaticContact CG-NE2 3.89Å; H467-H542 AromaticContact ND1-CE1 3.59Å; H467-H542 AromaticContact ND1-NE2 2.91Å; H467-H542 PolarHBondContact ND1-NE2 3.14Å; L474-H542 HydrophobicContact CD1-CB 3.93Å; H542-L567 CarbonylContact O-C 3.49Å; H542-L567 WeakPolarHBondContact O-CA 3.33Å; H542-V568 HydrophobicContact CB-CB 3.86Å; H542-V568 HydrophobicContact CB-CG2 3.93Å; H542-V568 PolarHBondContact N-O 3.42Å; H542-V568 VanDerWaalsContact N-O 3.08Å; H542-V568 PolarHBondContact O-N 3.34Å |
| 543 | D | 95.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 74.5 Ų | 74.5 | 6% | 0.064 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 115 | 176.8 | -177.1 | -10.1 | 0 | 0 | 0 | 109.6 | I540 L545 R546 P547 Y548 Q565 V566 L567 | I540-D543 HydrophobicContact CG2-CB 4.32Å; D543-L545 VanDerWaalsContact C-N 3.33Å; D543-L545 PolarHBondContact O-N 2.84Å; D543-L545 PolarHBondContact OD1-N 3.4Å; D543-R546 VanDerWaalsContact CG-N 3.25Å; D543-R546 WeakPolarHBondContact O-CG 3.48Å; D543-R546 PolarHBondContact OD1-N 3.18Å; D543-R546 WeakPolarHBondContact OD2-CA 3.44Å; D543-R546 PolarHBondContact OD2-N 3.12Å; D543-P547 WeakPolarHBondContact OD2-CD 3.49Å; D543-P547 WeakPolarHBondContact OD2-CG 3.32Å; D543-Y548 WeakPolarHBondContact OD2-CD2 3.44Å; D543-Y548 PolarHBondContact OD2-N 2.75Å; D543-Q565 PolarHBondContact OD1-NE2 2.64Å; D543-Q565 PolarHBondContact OD2-NE2 3.07Å; D543-V566 WeakPolarHBondContact CA-O 3.42Å; D543-L567 HydrophobicContact CB-CD1 3.89Å |
| 544 | S | 94.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -68.3 | -24.8 | -178.8 | 59.7 | 0 | 0 | 0 | 0 | 115.4 | K363 Q565 V566 | K363-S544 PolarHBondContact NZ-O 2.94Å; S544-Q565 WeakPolarHBondContact OG-CA 3.47Å; S544-V566 PolarHBondContact N-O 2.88Å; S544-V566 PolarHBondContact OG-N 3.04Å; S544-V566 PolarHBondContact OG-O 3.1Å |
| 545 | L | 90.5 | Very high | 92.2 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 47% | 0.466 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -103.9 | -16.5 | -180 | -66.1 | -175.2 | 0 | 0 | 0 | 112.3 | D543 P547 Q565 | D543-L545 VanDerWaalsContact C-N 3.33Å; D543-L545 PolarHBondContact O-N 2.84Å; D543-L545 PolarHBondContact OD1-N 3.4Å; L545-P547 WeakPolarHBondContact O-CD 3.4Å; L545-Q565 HydrophobicContact CB-CG 4.24Å; L545-Q565 HydrophobicContact CD1-CB 3.74Å; L545-Q565 HydrophobicContact CD1-CG 3.91Å; L545-Q565 HydrophobicContact CG-CB 4.07Å; L545-Q565 HydrophobicContact CG-CG 3.88Å |
| 546 | R | 85.4 | Confident | 92.4 | Very high | 151 Ų | 151 | 61 Ų | 61 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | trans | 57.1 | 32.1 | 179.9 | -50.8 | -178.4 | -178.5 | -168.4 | 0.2 | 117.1 | P461 D543 Y548 | P461-R546 PolarHBondContact O-NH2 2.98Å; D543-R546 VanDerWaalsContact CG-N 3.25Å; D543-R546 WeakPolarHBondContact O-CG 3.48Å; D543-R546 PolarHBondContact OD1-N 3.18Å; D543-R546 WeakPolarHBondContact OD2-CA 3.44Å; D543-R546 PolarHBondContact OD2-N 3.12Å; R546-Y548 PolarHBondContact O-N 3.18Å | ||
| 547 | P | 81.3 | Confident | 92.5 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -62.3 | -27.4 | 163 | 26.7 | -37.4 | 0 | 0 | 0 | 112.5 | D543 L545 | D543-P547 WeakPolarHBondContact OD2-CD 3.49Å; D543-P547 WeakPolarHBondContact OD2-CG 3.32Å; L545-P547 WeakPolarHBondContact O-CD 3.4Å |
| 548 | Y | 84.5 | Confident | 92.3 | Very high | 49 Ų | 49 | 57 Ų | 57 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -95.4 | 143.1 | 177.5 | -63.2 | -73.3 | 0 | 0 | 0 | 112 | I540 D543 R546 V554 T560 L567 | I540-Y548 HydrophobicContact CD1-CD1 4.21Å; I540-Y548 HydrophobicContact CD1-CD2 3.99Å; I540-Y548 HydrophobicContact CD1-CG 3.73Å; I540-Y548 HydrophobicContact CG1-CG 4.25Å; D543-Y548 WeakPolarHBondContact OD2-CD2 3.44Å; D543-Y548 PolarHBondContact OD2-N 2.75Å; R546-Y548 PolarHBondContact O-N 3.18Å; Y548-V554 HydrophobicContact CD1-CG1 3.79Å; Y548-V554 HydrophobicContact CE1-CG1 3.85Å; Y548-T560 WeakPolarHBondContact CE2-O 3.4Å; Y548-T560 WeakPolarHBondContact OH-CA 2.78Å; Y548-T560 PolarHBondContact OH-N 2.86Å; Y548-T560 PolarHBondContact OH-O 3.26Å; Y548-T560 VanDerWaalsContact OH-O 3.05Å; Y548-L567 HydrophobicContact CD2-CD1 3.99Å; Y548-L567 HydrophobicContact CE2-CD1 4.5Å |
| 549 | L | 85.9 | Confident | 92.3 | Very high | 140 Ų | 140 | 57 Ų | 57 | 73% | 0.733 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 135.8 | 170.6 | -66.4 | 173.8 | 0 | 0 | 0 | 109.6 | N551 S552 | L549-N551 PolarHBondContact O-N 3.14Å; L549-S552 VanDerWaalsContact O-CB 3.23Å; L549-S552 WeakPolarHBondContact O-CB 3.2Å; L549-S552 PolarHBondContact O-N 3.38Å; L549-S552 PolarHBondContact O-OG 3.14Å |
| 550 | F | 89 | Confident | 92.2 | Very high | 143 Ų | 143 | 57 Ų | 57 | 63% | 0.627 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 138.4 | 171.8 | 179.5 | -103.6 | 0 | 0 | 0 | 110.6 | V541 S552 | V541-F550 WeakPolarHBondContact O-CD2 3.39Å; V541-F550 WeakPolarHBondContact O-CE2 3.46Å; F550-S552 PolarHBondContact O-N 2.73Å; F550-S552 VanDerWaalsContact O-N 3.16Å |
| 551 | N | 91.6 | Very high | 92.1 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 9.8 | -172.9 | -61 | -10.5 | 0 | 0 | 0 | 115.9 | E539 I540 L549 | E539-N551 HydrophobicContact CG-CB 4.34Å; E539-N551 PolarHBondContact OE1-OD1 3.5Å; I540-N551 WeakPolarHBondContact O-CA 3.17Å; I540-N551 PolarHBondContact O-N 3.42Å; L549-N551 PolarHBondContact O-N 3.14Å |
| 552 | S | 94.4 | Very high | 92 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | trans | -71.3 | 146.3 | 170.4 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | E539 I540 L549 F550 | E539-S552 WeakPolarHBondContact CA-O 3.39Å; I540-S552 WeakPolarHBondContact CG1-O 3.42Å; I540-S552 PolarHBondContact N-O 3.15Å; L549-S552 VanDerWaalsContact O-CB 3.23Å; L549-S552 WeakPolarHBondContact O-CB 3.2Å; L549-S552 PolarHBondContact O-N 3.38Å; L549-S552 PolarHBondContact O-OG 3.14Å; F550-S552 PolarHBondContact O-N 2.73Å; F550-S552 VanDerWaalsContact O-N 3.16Å | ||
| 553 | T | 95.2 | Very high | 91.8 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.3 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | Y537 A538 L572 | Y537-T553 HydrophobicContact CD1-CG2 3.88Å; Y537-T553 HydrophobicContact CG-CG2 4.02Å; A538-T553 CarbonylContact O-C 3.58Å; A538-T553 WeakPolarHBondContact O-CA 3.36Å; T553-L572 HydrophobicContact CG2-CD1 3.93Å |
| 554 | V | 94.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.9 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | Y537 A538 I540 Y548 I559 L569 | Y537-V554 WeakPolarHBondContact CA-O 3.48Å; A538-V554 PolarHBondContact N-O 3.43Å; A538-V554 PolarHBondContact O-N 3.47Å; I540-V554 HydrophobicContact CD1-CG1 3.88Å; I540-V554 HydrophobicContact CD1-CG2 3.93Å; I540-V554 HydrophobicContact CG1-CG1 3.85Å; I540-V554 HydrophobicContact CG1-CG2 4.27Å; Y548-V554 HydrophobicContact CD1-CG1 3.79Å; Y548-V554 HydrophobicContact CE1-CG1 3.85Å; V554-I559 HydrophobicContact CG2-CG1 4.39Å; V554-L569 HydrophobicContact CG2-CD2 4.05Å |
| 555 | P | 94.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.2 | 172.9 | 31.7 | -34.2 | 0 | 0 | 0 | 110.4 | Y537 N557 S558 | Y537-P555 HydrophobicContact CD1-CB 4.27Å; Y537-P555 HydrophobicContact CE1-CB 4.13Å; P555-N557 VanDerWaalsContact C-N 3.26Å; P555-N557 PolarHBondContact O-N 3.18Å; P555-S558 PolarHBondContact O-N 3.46Å |
| 556 | L | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.3 | -177.2 | -77.3 | 169.8 | 0 | 0 | 0 | 113.3 | L511 L528 V531 A535 Q536 A538 S558 I559 L569 I571 | L511-L556 HydrophobicContact CD2-CD2 4.2Å; L528-L556 HydrophobicContact CB-CD2 4.22Å; L528-L556 PolarHBondContact N-O 3.16Å; V531-L556 HydrophobicContact CG1-CD1 3.97Å; A535-L556 HydrophobicContact CB-CD1 4.05Å; Q536-L556 PolarHBondContact O-N 2.93Å; A538-L556 HydrophobicContact CB-CD2 3.79Å; A538-L556 HydrophobicContact CB-CG 4.18Å; L556-S558 VanDerWaalsContact C-N 3.3Å; L556-S558 PolarHBondContact O-N 3.12Å; L556-I559 HydrophobicContact CD2-CD1 4.26Å; L556-L569 HydrophobicContact CD2-CD1 4.3Å; L556-I571 HydrophobicContact CD1-CD1 4.14Å; L556-I571 HydrophobicContact CD2-CD1 4.12Å |
| 557 | N | 93.3 | Very high | 92.6 | Very high | 101 Ų | 101 | 44 Ų | 44 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.9 | -177.5 | 68.1 | -4 | 0 | 0 | 0 | 114.9 | D527 P555 | D527-N557 WeakPolarHBondContact OD1-CA 3.27Å; P555-N557 VanDerWaalsContact C-N 3.26Å; P555-N557 PolarHBondContact O-N 3.18Å |
| 558 | S | 91.8 | Very high | 93.4 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | trans | -154.7 | 72.5 | -177.4 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | P555 L556 | P555-S558 PolarHBondContact O-N 3.46Å; L556-S558 VanDerWaalsContact C-N 3.3Å; L556-S558 PolarHBondContact O-N 3.12Å | ||
| 559 | I | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139.4 | 172.2 | -68.3 | 159.3 | 0 | 0 | 0 | 109.3 | K525 I526 L528 V554 L556 L561 L567 L569 | K525-I559 CarbonylContact C-O 3.51Å; K525-I559 WeakPolarHBondContact CA-O 3.39Å; I526-I559 HydrophobicContact CD1-CB 4.41Å; I526-I559 HydrophobicContact CD1-CG2 4.3Å; I526-I559 HydrophobicContact CG1-CB 3.85Å; I526-I559 HydrophobicContact CG1-CG2 4.14Å; I526-I559 PolarHBondContact N-O 2.9Å; I526-I559 PolarHBondContact O-N 3.46Å; L528-I559 HydrophobicContact CB-CD1 4.34Å; L528-I559 HydrophobicContact CD1-CD1 3.51Å; L528-I559 HydrophobicContact CG-CD1 4.17Å; V554-I559 HydrophobicContact CG2-CG1 4.39Å; L556-I559 HydrophobicContact CD2-CD1 4.26Å; I559-L561 HydrophobicContact CG2-CD2 4.05Å; I559-L561 HydrophobicContact CG2-CG 4.3Å; I559-L567 HydrophobicContact CG2-CD2 3.69Å; I559-L569 HydrophobicContact CD1-CD1 3.6Å |
| 560 | T | 94.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 34.1 Ų | 34.1 | 27% | 0.27 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.8 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | L523 L524 Y548 | L523-T560 HydrophobicContact CB-CG2 4.02Å; L523-T560 HydrophobicContact CD1-CG2 4.08Å; L523-T560 HydrophobicContact CD2-CG2 4.28Å; L523-T560 HydrophobicContact CG-CG2 4.36Å; L524-T560 CarbonylContact O-C 3.27Å; L524-T560 VanDerWaalsContact O-CA 3.25Å; L524-T560 WeakPolarHBondContact O-CA 3.43Å; Y548-T560 WeakPolarHBondContact CE2-O 3.4Å; Y548-T560 WeakPolarHBondContact OH-CA 2.78Å; Y548-T560 PolarHBondContact OH-N 2.86Å; Y548-T560 PolarHBondContact OH-O 3.26Å; Y548-T560 VanDerWaalsContact OH-O 3.05Å |
| 561 | L | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.5 | 179.2 | -64.9 | -179 | 0 | 0 | 0 | 111.8 | V497 V513 N515 L523 L524 I526 I559 Q565 L567 | V497-L561 HydrophobicContact CG2-CD1 4.33Å; V513-L561 HydrophobicContact CG1-CD1 3.71Å; N515-L561 HydrophobicContact CB-CD1 4.3Å; L523-L561 CarbonylContact C-O 3.56Å; L523-L561 VanDerWaalsContact CA-O 3.31Å; L523-L561 WeakPolarHBondContact CA-O 3.39Å; L524-L561 HydrophobicContact CB-CB 4.48Å; L524-L561 PolarHBondContact N-O 2.88Å; L524-L561 PolarHBondContact O-N 3.16Å; I526-L561 HydrophobicContact CD1-CD1 3.41Å; I526-L561 VanDerWaalsContact CD1-CD1 3.41Å; I526-L561 HydrophobicContact CD1-CG 3.93Å; I526-L561 HydrophobicContact CG1-CD1 4.26Å; I526-L561 HydrophobicContact CG1-CG 4.39Å; I526-L561 HydrophobicContact CG2-CD1 4.47Å; I559-L561 HydrophobicContact CG2-CD2 4.05Å; I559-L561 HydrophobicContact CG2-CG 4.3Å; L561-Q565 VanDerWaalsContact CA-OE1 3.27Å; L561-L567 HydrophobicContact CD2-CB 4.18Å; L561-L567 HydrophobicContact CD2-CD2 3.97Å |
| 562 | G | 94.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | trans | -84.2 | -169.3 | 160 | 0 | 0 | 0 | 0 | 0 | 112.4 | N515 Q565 | N515-G562 WeakPolarHBondContact CB-O 3.48Å; N515-G562 PolarHBondContact ND2-O 3.35Å; G562-Q565 WeakPolarHBondContact O-CB 3.31Å | ||
| 563 | S | 92.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -148.7 | 136.7 | -169 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | S518 A521 | S518-S563 WeakPolarHBondContact O-CB 3.49Å; S518-S563 PolarHBondContact O-OG 3.35Å; S518-S563 VanDerWaalsContact O-OG 3.09Å; A521-S563 WeakPolarHBondContact CB-OG 3.32Å; A521-S563 PolarHBondContact N-OG 3.35Å; A521-S563 PolarHBondContact O-OG 2.92Å |
| 564 | P | 93.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | S | Bend | cis | -63.7 | 144.9 | -25 | 28.3 | -33.7 | 0 | 0 | 0 | 110 | S360 F361 V364 N515 A517 S519 | S360-P564 VanDerWaalsContact O-CG 3.31Å; S360-P564 WeakPolarHBondContact O-CG 3.42Å; F361-P564 HydrophobicContact CD1-CB 4Å; F361-P564 HydrophobicContact CD1-CG 4.24Å; F361-P564 HydrophobicContact CE1-CB 4.09Å; F361-P564 HydrophobicContact CE1-CG 4.4Å; V364-P564 HydrophobicContact CG2-CB 3.88Å; N515-P564 VanDerWaalsContact O-CA 3.26Å; N515-P564 WeakPolarHBondContact O-CA 3.49Å; A517-P564 WeakPolarHBondContact O-CA 3.46Å; S519-P564 WeakPolarHBondContact OG-CD 3.37Å |
| 565 | Q | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.7 | -179.7 | -171.6 | 177.4 | 11.8 | 0 | 0 | 111.5 | L514 N515 D543 S544 L545 L561 G562 | L514-Q565 WeakPolarHBondContact CA-O 3.13Å; N515-Q565 PolarHBondContact N-O 2.99Å; N515-Q565 PolarHBondContact O-N 2.8Å; D543-Q565 PolarHBondContact OD1-NE2 2.64Å; D543-Q565 PolarHBondContact OD2-NE2 3.07Å; S544-Q565 WeakPolarHBondContact OG-CA 3.47Å; L545-Q565 HydrophobicContact CB-CG 4.24Å; L545-Q565 HydrophobicContact CD1-CB 3.74Å; L545-Q565 HydrophobicContact CD1-CG 3.91Å; L545-Q565 HydrophobicContact CG-CB 4.07Å; L545-Q565 HydrophobicContact CG-CG 3.88Å; L561-Q565 VanDerWaalsContact CA-OE1 3.27Å; G562-Q565 WeakPolarHBondContact O-CB 3.31Å |
| 566 | V | 97 | Very high | 89 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.3 | 163.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | K363 V364 A367 L514 D543 S544 V568 | K363-V566 HydrophobicContact CB-CG2 4.29Å; K363-V566 VanDerWaalsContact O-CG2 3.29Å; K363-V566 WeakPolarHBondContact O-CG2 3.1Å; V364-V566 HydrophobicContact CB-CG2 4.42Å; V364-V566 HydrophobicContact CG2-CG2 3.9Å; A367-V566 HydrophobicContact CB-CB 4.17Å; A367-V566 HydrophobicContact CB-CG1 3.45Å; A367-V566 VanDerWaalsContact CB-CG1 3.45Å; A367-V566 HydrophobicContact CB-CG2 3.58Å; L514-V566 HydrophobicContact CD2-CB 4.25Å; L514-V566 HydrophobicContact CD2-CG1 3.91Å; L514-V566 HydrophobicContact CD2-CG2 3.97Å; D543-V566 WeakPolarHBondContact CA-O 3.42Å; S544-V566 PolarHBondContact N-O 2.88Å; S544-V566 PolarHBondContact OG-N 3.04Å; S544-V566 PolarHBondContact OG-O 3.1Å; V566-V568 HydrophobicContact CG1-CG2 4.22Å |
| 567 | L | 97.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.8 | 168.6 | -165.8 | 69.8 | 0 | 0 | 0 | 109 | V513 I540 H542 D543 Y548 I559 L561 L569 | V513-L567 HydrophobicContact CB-CB 4.25Å; V513-L567 PolarHBondContact N-O 3.32Å; V513-L567 PolarHBondContact O-N 2.9Å; I540-L567 HydrophobicContact CD1-CD1 3.74Å; I540-L567 HydrophobicContact CD1-CD2 4.32Å; I540-L567 HydrophobicContact CD1-CG 4.33Å; I540-L567 HydrophobicContact CG2-CD1 4.44Å; H542-L567 CarbonylContact O-C 3.49Å; H542-L567 WeakPolarHBondContact O-CA 3.33Å; D543-L567 HydrophobicContact CB-CD1 3.89Å; Y548-L567 HydrophobicContact CD2-CD1 3.99Å; Y548-L567 HydrophobicContact CE2-CD1 4.5Å; I559-L567 HydrophobicContact CG2-CD2 3.69Å; L561-L567 HydrophobicContact CD2-CB 4.18Å; L561-L567 HydrophobicContact CD2-CD2 3.97Å; L567-L569 HydrophobicContact CD2-CD1 4.17Å; L567-L569 HydrophobicContact CD2-CD2 3.95Å; L567-L569 HydrophobicContact CD2-CG 4.15Å; L567-L569 HydrophobicContact CG-CD2 3.98Å; L567-L569 HydrophobicContact CG-CG 4.16Å |
| 568 | V | 98 | Very high | 83.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.7 | 171.9 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | L371 L474 F480 F510 L511 V512 V541 H542 V566 | L371-V568 HydrophobicContact CD1-CG2 3.62Å; L474-V568 HydrophobicContact CD1-CB 4.18Å; L474-V568 HydrophobicContact CD1-CG1 4.13Å; L474-V568 HydrophobicContact CD1-CG2 4.04Å; F480-V568 HydrophobicContact CZ-CG1 4.45Å; F510-V568 HydrophobicContact CD1-CG1 4.33Å; L511-V568 WeakPolarHBondContact O-CA 3.35Å; V512-V568 HydrophobicContact CG2-CG1 4.41Å; V541-V568 PolarHBondContact N-O 2.87Å; H542-V568 HydrophobicContact CB-CB 3.86Å; H542-V568 HydrophobicContact CB-CG2 3.93Å; H542-V568 PolarHBondContact N-O 3.42Å; H542-V568 VanDerWaalsContact N-O 3.08Å; H542-V568 PolarHBondContact O-N 3.34Å; V566-V568 HydrophobicContact CG1-CG2 4.22Å |
| 569 | L | 97.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.6 | -174.9 | -60.4 | 174.7 | 0 | 0 | 0 | 109.7 | F510 L511 V513 L528 A538 E539 I540 V554 L556 I559 L567 | F510-L569 CarbonylContact C-O 3.58Å; F510-L569 WeakPolarHBondContact CA-O 3.45Å; L511-L569 HydrophobicContact CB-CB 4.25Å; L511-L569 HydrophobicContact CD2-CD1 4.21Å; L511-L569 PolarHBondContact N-O 2.93Å; L511-L569 PolarHBondContact O-N 3.47Å; V513-L569 HydrophobicContact CG2-CD1 4.44Å; L528-L569 HydrophobicContact CD1-CD1 4.32Å; A538-L569 HydrophobicContact CB-CB 3.92Å; A538-L569 HydrophobicContact CB-CD1 4.39Å; E539-L569 CarbonylContact O-C 3.57Å; E539-L569 VanDerWaalsContact O-CA 3.31Å; E539-L569 WeakPolarHBondContact O-CA 3.46Å; I540-L569 HydrophobicContact CD1-CD2 3.43Å; I540-L569 VanDerWaalsContact CD1-CD2 3.43Å; I540-L569 HydrophobicContact CG1-CD2 4.25Å; V554-L569 HydrophobicContact CG2-CD2 4.05Å; L556-L569 HydrophobicContact CD2-CD1 4.3Å; I559-L569 HydrophobicContact CD1-CD1 3.6Å; L567-L569 HydrophobicContact CD2-CD1 4.17Å; L567-L569 HydrophobicContact CD2-CD2 3.95Å; L567-L569 HydrophobicContact CD2-CG 4.15Å; L567-L569 HydrophobicContact CG-CD2 3.98Å; L567-L569 HydrophobicContact CG-CG 4.16Å |
| 570 | K | 96.8 | Very high | 77.4 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.3 | 166.9 | 173.9 | -178.5 | 173.9 | -166.4 | 0 | 108.5 | A508 F510 A538 E539 V541 L572 | A508-K570 HydrophobicContact CB-CD 4.26Å; A508-K570 HydrophobicContact CB-CG 4.17Å; F510-K570 HydrophobicContact CD1-CB 4.09Å; F510-K570 HydrophobicContact CE1-CB 3.91Å; F510-K570 HydrophobicContact CE1-CG 4.26Å; A538-K570 CarbonylContact C-O 3.57Å; A538-K570 VanDerWaalsContact CA-O 3.32Å; A538-K570 WeakPolarHBondContact CA-O 3.35Å; A538-K570 WeakPolarHBondContact CB-O 3.48Å; E539-K570 HydrophobicContact CB-CB 4.4Å; E539-K570 PolarHBondContact N-O 3.18Å; E539-K570 PolarHBondContact O-N 3.42Å; V541-K570 HydrophobicContact CG2-CB 3.49Å; V541-K570 VanDerWaalsContact CG2-CB 3.49Å; K570-L572 PolarHBondContact O-N 3.05Å |
| 571 | I | 95.5 | Very high | 74.4 | Confident | 10 Ų | 10 | 87.6 Ų | 87.6 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.7 | -179.4 | -56.4 | -57.3 | 0 | 0 | 0 | 109 | T509 L511 V531 A535 A538 L556 | T509-I571 HydrophobicContact CG2-CB 4.07Å; T509-I571 HydrophobicContact CG2-CG1 3.65Å; T509-I571 PolarHBondContact O-N 3.27Å; L511-I571 HydrophobicContact CB-CD1 3.98Å; L511-I571 HydrophobicContact CD2-CD1 4.33Å; V531-I571 HydrophobicContact CG1-CD1 3.84Å; V531-I571 HydrophobicContact CG2-CD1 4.48Å; A535-I571 HydrophobicContact CB-CG2 3.45Å; A535-I571 VanDerWaalsContact CB-CG2 3.45Å; A538-I571 HydrophobicContact CB-CD1 4.1Å; L556-I571 HydrophobicContact CD1-CD1 4.14Å; L556-I571 HydrophobicContact CD2-CD1 4.12Å |
| 572 | L | 91.1 | Very high | 71.5 | Confident | 49 Ų | 49 | 90.8 Ų | 90.8 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 121.4 | 176 | -60.9 | 178.2 | 0 | 0 | 0 | 108.5 | Y537 E539 T553 K570 S574 | Y537-L572 PolarHBondContact O-N 2.8Å; E539-L572 HydrophobicContact CB-CD2 4.24Å; E539-L572 HydrophobicContact CB-CG 4.44Å; T553-L572 HydrophobicContact CG2-CD1 3.93Å; K570-L572 PolarHBondContact O-N 3.05Å; L572-S574 PolarHBondContact O-N 3.12Å |
| 573 | P | 82.4 | Confident | 68.4 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -58 | 136.5 | 173.3 | -19.9 | 30.4 | 0 | 0 | 0 | 109.8 | R575 | P573-R575 PolarHBondContact O-N 2.82Š|
| 574 | S | 73.6 | Confident | 66 | Low | 54 Ų | 54 | 100.1 Ų | 100.1 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 133.3 | 165.6 | -86.5 | 0 | 0 | 0 | 0 | 109.1 | E534 L572 M576 | E534-S574 WeakPolarHBondContact O-CB 3.47Å; E534-S574 PolarHBondContact O-OG 3.12Å; L572-S574 PolarHBondContact O-N 3.12Å; S574-M576 PolarHBondContact O-N 3.13Å |
| 575 | R | 57.7 | Low | 62.9 | Low | 254 Ų | 254 | 105 Ų | 105 | 96% | 0.958 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -41.2 | 114.8 | 177.5 | -85.6 | -177.1 | 173.6 | 176.4 | -1.2 | 108.4 | P573 R577 | P573-R575 PolarHBondContact O-N 2.82Å; R575-R577 PolarHBondContact O-N 3.42Å |
| 576 | M | 43.3 | Very low | 59.6 | Low | 181 Ų | 181 | 109.5 Ų | 109.5 | 89% | 0.892 | 55% | 0.548 | S | S | * | . | trans | -35.4 | 133.9 | -174.4 | -82.8 | -165.1 | -97.5 | 0 | 0 | 111.9 | S574 K578 | S574-M576 PolarHBondContact O-N 3.13Å; M576-K578 PolarHBondContact O-N 3.09Å | ||
| 577 | R | 36.5 | Very low | 56.2 | Low | 231 Ų | 231 | 117.5 Ų | 117.5 | 87% | 0.872 | 59% | 0.586 | S | S | * | * | trans | -13.1 | 109.3 | 153.5 | -84.9 | 173.1 | 157.9 | 171.3 | -4.9 | 109.8 | R575 R579 | R575-R577 PolarHBondContact O-N 3.42Å; R577-R579 PolarHBondContact O-N 2.64Å | ||
| 578 | K | 31.1 | Very low | 53 | Low | 201 Ų | 201 | 128.2 Ų | 128.2 | 87% | 0.874 | 63% | 0.626 | S | S | * | * | trans | -49.5 | 103.7 | 147.6 | -88.6 | -179.1 | 177.2 | 177.6 | 0 | 103.5 | M576 R580 | M576-K578 PolarHBondContact O-N 3.09Å; K578-R580 PolarHBondContact O-N 2.81Å | ||
| 579 | R | 30.9 | Very low | 49.5 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | trans | -43.4 | 116.4 | 157.9 | -102 | -178.4 | 168.7 | 177.9 | -1.8 | 103.1 | R577 Y581 | R577-R579 PolarHBondContact O-N 2.64Å; R579-Y581 HydrophobicContact CB-CD2 3.93Å; R579-Y581 HydrophobicContact CB-CE2 4.02Å; R579-Y581 PolarHBondContact O-N 3.34Å | ||
| 580 | R | 32.1 | Very low | 46.1 | Very low | 254 Ų | 254 | 145.6 Ų | 145.6 | 96% | 0.958 | 71% | 0.705 | S | S | * | * | trans | -59.5 | 85.1 | 165.9 | -81.1 | -179.3 | 172.4 | 177 | -2.1 | 105.1 | K578 G582 | K578-R580 PolarHBondContact O-N 2.81Å; R580-G582 PolarHBondContact O-N 2.83Å | ||
| 581 | Y | 31.4 | Very low | 42.7 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | trans | -73.6 | 75.5 | 148.8 | -81.7 | -81.6 | 0 | 0 | 0 | 104.6 | R579 A583 | R579-Y581 HydrophobicContact CB-CD2 3.93Å; R579-Y581 HydrophobicContact CB-CE2 4.02Å; R579-Y581 PolarHBondContact O-N 3.34Å; Y581-A583 PolarHBondContact O-N 3.32Å | ||
| 582 | G | 32.2 | Very low | 39.4 | Very low | 67 Ų | 67 | 154.5 Ų | 154.5 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -62.1 | 124.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | R580 | R580-G582 PolarHBondContact O-N 2.83Š| ||
| 583 | A | 29.3 | Very low | 36.1 | Very low | 95 Ų | 95 | 159.8 Ų | 159.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -62.5 | 174 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y581 | Y581-A583 PolarHBondContact O-N 3.32Š| ||
| 584 | P | 43.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 160.2 Ų | 160.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -99 | 149.4 | -152.3 | 38.1 | -33 | 0 | 0 | 0 | 114.5 | ||||
| 585 | S | 27 | Very low | 31.4 | Very low | 114 Ų | 114 | 164.3 Ų | 164.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -173.7 | 134 | 156.6 | 56.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 586 | S | 26.9 | Very low | 30.1 | Very low | 95 Ų | 95 | 156.8 Ų | 156.8 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | cis | -177 | 148.7 | 16.8 | 39.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 587 | E | 26.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 63.6 | 122.6 | 145.5 | -67.6 | 178.1 | 177.2 | 0 | 0 | 121.3 | ||||
| 588 | R | 29.5 | Very low | 29.1 | Very low | 225 Ų | 225 | 151.7 Ų | 151.7 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | 133.8 | 95.9 | 138.5 | -73.4 | 174.3 | -172.5 | -150.4 | 0.2 | 109.3 | ||||
| 589 | E | 24.2 | Very low | 29.2 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | 39.9 | 108.2 | 94.2 | -77.2 | -171.5 | 159.6 | 0 | 0 | 111.7 | |||||
| 590 | F | 26.8 | Very low | 29.2 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | -173.8 | 130.7 | 119.8 | -113.2 | -88.3 | 0 | 0 | 0 | 112 | |||||
| 591 | C | 25.9 | Very low | 29.4 | Very low | 92 Ų | 92 | 146 Ų | 146 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 97.8 | 152 | -85.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 592 | Q | 25.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | 61.8 | 112.5 | 108.5 | -70.8 | -176.5 | -2.4 | 0 | 0 | 119.2 | |||||
| 593 | Q | 22.4 | Very low | 28.9 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -52.2 | 147.1 | 151.1 | -62.8 | 177.5 | -67 | 0 | 0 | 112.1 | ||||
| 594 | P | 31.8 | Very low | 28.9 | Very low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -101.8 | 104.5 | 142.7 | 22.8 | -6.9 | 0 | 0 | 0 | 109.1 | S596 | P594-S596 PolarHBondContact O-N 3.01Š| ||
| 595 | D | 25.7 | Very low | 28.6 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 114.3 | 151.9 | -86.3 | -31.3 | 0 | 0 | 0 | 108 | ||||
| 596 | S | 31 | Very low | 28.7 | Very low | 96 Ų | 96 | 160.8 Ų | 160.8 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 108.5 | 153.5 | 69.7 | 0 | 0 | 0 | 0 | 113.1 | P594 | P594-S596 PolarHBondContact O-N 3.01Š| ||
| 597 | K | 31.3 | Very low | 28.8 | Very low | 186 Ų | 186 | 164.3 Ų | 164.3 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 74.5 | 98.4 | 131.7 | -62.5 | -176.3 | 179.1 | 179.9 | 0 | 118.8 | ||||
| 598 | T | 27.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 164 Ų | 164 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | 20.3 | 111.7 | 117.9 | 34.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 599 | H | 33.3 | Very low | 28.9 | Very low | 172 Ų | 172 | 160.4 Ų | 160.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -124.8 | 97.2 | 145 | -93.5 | -72.1 | 0 | 0 | 0 | 109.2 | ||||
| 600 | H | 30.4 | Very low | 29.2 | Very low | 159 Ų | 159 | 159.6 Ų | 159.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -67.2 | 125.6 | 153.6 | -95.1 | -72.1 | 0 | 0 | 0 | 108 | ||||
| 601 | F | 35.5 | Very low | 29.3 | Very low | 197 Ų | 197 | 157.5 Ų | 157.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -117.1 | 98.3 | 153 | -101.4 | -85.9 | 0 | 0 | 0 | 107.2 | ||||
| 602 | E | 28.6 | Very low | 29.6 | Very low | 164 Ų | 164 | 162.1 Ų | 162.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 149.9 | 163.7 | -84.6 | -173.5 | 150.8 | 0 | 0 | 110.9 | ||||
| 603 | S | 25.4 | Very low | 29.9 | Very low | 95 Ų | 95 | 161.1 Ų | 161.1 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -28.8 | 141.3 | 168.1 | 62.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 604 | K | 29.2 | Very low | 30.5 | Very low | 197 Ų | 197 | 161.1 Ų | 161.1 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | 153.4 | 108.2 | 112 | -87.8 | -178.6 | 179.9 | 174.9 | 0 | 111.5 | |||||
| 605 | K | 36.5 | Very low | 30.4 | Very low | 287 Ų | 287 | 164.7 Ų | 164.7 | 100% | 1.248 | 81% | 0.808 | S | S | * | * | -157 | 0 | 118.8 | -109.9 | -176.8 | -177.9 | -179.4 | 0 | 109.2 |
Retrieved 605 of 605 residues in 655.2 ms
(Link to these results)