| 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 | 33.8 | Very low | 81.2 | Confident | 216 Ų | 216 | 82.9 Ų | 82.9 | 100% | 1.064 | 51% | 0.511 | S | S | * | . | 0 | 121.5 | 0 | -66.1 | -153.7 | -84.5 | 0 | 0 | 106.9 | H3 | M1-H3 PolarHBondContact O-N 3.24Š| |||
| 2 | S | 47.8 | Very low | 82.5 | Confident | 126 Ų | 126 | 76.1 Ų | 76.1 | 88% | 0.881 | 47% | 0.469 | S | S | * | . | trans | -73.5 | 106.1 | 173.8 | 54.4 | 0 | 0 | 0 | 0 | 107.6 | G4 | S2-G4 PolarHBondContact O-N 2.99Š| ||
| 3 | H | 62.2 | Low | 83.7 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | trans | -66.4 | 120.5 | 172.3 | -64.3 | -80.9 | 0 | 0 | 0 | 108.1 | M1 N19 F20 | M1-H3 PolarHBondContact O-N 3.24Å; H3-N19 HydrophobicContact CB-CB 3.76Å; H3-N19 PolarHBondContact ND1-OD1 3.05Å; H3-N19 VanDerWaalsContact ND1-OD1 3.15Å; H3-F20 HydrophobicContact CB-CZ 4.36Å | ||
| 4 | G | 85.1 | Confident | 84.6 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 67% | 0.67 | 46% | 0.459 | S | S | * | . | trans | -67.5 | 147.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S2 | S2-G4 PolarHBondContact O-N 2.99Š| ||
| 5 | W | 95.5 | Very high | 85.4 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 17% | 0.167 | 45% | 0.449 | C | S | . | . | trans | -142.6 | 158.9 | 173.7 | 65 | -87.5 | 0 | 0 | 0 | 109.1 | Y7 W16 F20 H64 T199 P200 | W5-Y7 HydrophobicContact CH2-CE2 4.49Å; W5-Y7 AromaticContact CZ3-CE2 3.79Å; W5-Y7 HydrophobicContact CZ3-CE2 3.79Å; W5-Y7 AromaticContact CZ3-CZ 3.82Å; W5-W16 AromaticContact CE3-CE2 3.71Å; W5-W16 HydrophobicContact CE3-CH2 4.23Å; W5-W16 AromaticContact CE3-CZ2 3.43Å; W5-W16 HydrophobicContact CE3-CZ2 3.43Å; W5-W16 VanDerWaalsContact CE3-CZ2 3.43Å; W5-W16 AromaticContact CE3-NE1 3.89Å; W5-W16 HydrophobicContact CZ3-CH2 4.05Å; W5-W16 AromaticContact CZ3-CZ2 3.62Å; W5-W16 HydrophobicContact CZ3-CZ2 3.62Å; W5-F20 HydrophobicContact CB-CE2 4.05Å; W5-F20 HydrophobicContact CG-CE2 4.35Å; W5-H64 HydrophobicContact CH2-CB 3.88Å; W5-H64 AromaticContact CH2-CG 3.68Å; W5-H64 AromaticContact CH2-ND1 3.82Å; W5-H64 HydrophobicContact CZ2-CB 4.41Å; W5-H64 AromaticContact CZ2-CD2 3.93Å; W5-H64 AromaticContact CZ2-CG 3.85Å; W5-H64 HydrophobicContact CZ3-CB 4.47Å; W5-H64 AromaticContact CZ3-ND1 3.91Å; W5-H64 PolarHBondContact O-CE1 3.43Å; W5-T199 VanDerWaalsContact CH2-CB 3.45Å; W5-T199 HydrophobicContact CH2-CG2 3.56Å; W5-T199 HydrophobicContact CZ2-CG2 4.38Å; W5-T199 HydrophobicContact CZ3-CG2 4.15Å; W5-P200 HydrophobicContact CB-CG 4.06Å; W5-P200 HydrophobicContact CD2-CB 4.02Å; W5-P200 HydrophobicContact CD2-CG 3.54Å; W5-P200 HydrophobicContact CE3-CG 3.95Å; W5-P200 HydrophobicContact CG-CB 3.91Å; W5-P200 HydrophobicContact CG-CG 3.57Å | ||
| 6 | G | 96.3 | Very high | 86.1 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | trans | -160.1 | -153 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D11 G12 W16 | G6-D11 CarbonylContact C-O 3.59Å; G6-D11 PolarHBondContact N-O 2.88Å; G6-D11 VanDerWaalsContact O-O 3.04Å; G6-G12 WeakPolarHBondContact O-CA 3.41Å; G6-W16 VanDerWaalsContact O-CZ2 3.3Å; G6-W16 WeakPolarHBondContact O-CZ2 3.21Å; G6-W16 PolarHBondContact O-NE1 3.26Å | ||
| 7 | Y | 97.1 | Very high | 86.7 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -125.1 | 11.9 | 177.5 | -61.7 | -85.3 | 0 | 0 | 0 | 111.6 | W5 P13 W16 H64 F230 N243 | W5-Y7 HydrophobicContact CH2-CE2 4.49Å; W5-Y7 AromaticContact CZ3-CE2 3.79Å; W5-Y7 HydrophobicContact CZ3-CE2 3.79Å; W5-Y7 AromaticContact CZ3-CZ 3.82Å; Y7-P13 HydrophobicContact CD1-CG 4.18Å; Y7-W16 HydrophobicContact CD1-CH2 4.47Å; Y7-W16 HydrophobicContact CD1-CZ2 4.16Å; Y7-W16 AromaticContact CE1-CH2 3.74Å; Y7-W16 HydrophobicContact CE1-CH2 3.74Å; Y7-W16 AromaticContact CE1-CZ2 3.78Å; Y7-W16 HydrophobicContact CE1-CZ2 3.78Å; Y7-H64 HydrophobicContact CE2-CB 4.48Å; Y7-F230 AromaticContact CD2-CE1 3.95Å; Y7-F230 HydrophobicContact CD2-CE1 3.95Å; Y7-F230 HydrophobicContact CD2-CZ 4.04Å; Y7-N243 HydrophobicContact CD2-CB 3.91Å; Y7-N243 HydrophobicContact CE2-CB 3.73Å; Y7-N243 HydrophobicContact CG-CB 4.47Å; Y7-N243 VanDerWaalsContact CZ-C 3.47Å; Y7-N243 VanDerWaalsContact CZ-O 3.32Å; Y7-N243 PolarHBondContact OH-O 3.21Å |
| 8 | G | 94.3 | Very high | 87.1 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -85.3 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S10 D11 G12 | G8-S10 PolarHBondContact O-N 3.42Å; G8-D11 VanDerWaalsContact CA-OD1 3.29Å; G8-D11 WeakPolarHBondContact CA-OD1 3.15Å; G8-D11 PolarHBondContact N-OD1 3.16Å; G8-D11 PolarHBondContact O-N 3.17Å; G8-G12 VanDerWaalsContact O-CA 3.27Å; G8-G12 WeakPolarHBondContact O-CA 3.45Å; G8-G12 PolarHBondContact O-N 2.6Å |
| 9 | P | 92.5 | Very high | 87.5 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 83% | 0.831 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.6 | -177.6 | -24.8 | 34.9 | 0 | 0 | 0 | 115 | ||
| 10 | S | 93.6 | Very high | 87.9 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -14.9 | -175.5 | 54 | 0 | 0 | 0 | 0 | 114.4 | G8 | G8-S10 PolarHBondContact O-N 3.42Š|
| 11 | D | 95.1 | Very high | 88.2 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 10.9 | -172.5 | 66.1 | -4 | 0 | 0 | 0 | 113.3 | G6 G8 W16 | G6-D11 CarbonylContact C-O 3.59Å; G6-D11 PolarHBondContact N-O 2.88Å; G6-D11 VanDerWaalsContact O-O 3.04Å; G8-D11 VanDerWaalsContact CA-OD1 3.29Å; G8-D11 WeakPolarHBondContact CA-OD1 3.15Å; G8-D11 PolarHBondContact N-OD1 3.16Å; G8-D11 PolarHBondContact O-N 3.17Å; D11-W16 VanDerWaalsContact O-CD1 3.28Å; D11-W16 PolarHBondContact O-NE1 3.45Å |
| 12 | G | 97 | Very high | 91.1 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -75.4 | 179.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G6 G8 D14 K15 W16 | G6-G12 WeakPolarHBondContact O-CA 3.41Å; G8-G12 VanDerWaalsContact O-CA 3.27Å; G8-G12 WeakPolarHBondContact O-CA 3.45Å; G8-G12 PolarHBondContact O-N 2.6Å; G12-D14 PolarHBondContact O-N 3.34Å; G12-D14 VanDerWaalsContact O-N 3.07Å; G12-K15 WeakPolarHBondContact O-CA 3.47Å; G12-K15 WeakPolarHBondContact O-CB 3.49Å; G12-K15 PolarHBondContact O-N 3.41Å; G12-W16 VanDerWaalsContact C-NE1 3.32Å; G12-W16 PolarHBondContact O-N 3.18Å; G12-W16 PolarHBondContact O-NE1 3.16Å |
| 13 | P | 97.5 | Very high | 93.4 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -31.1 | -175.8 | -31.6 | 36.9 | 0 | 0 | 0 | 116.6 | Y7 K15 W16 R245 | Y7-P13 HydrophobicContact CD1-CG 4.18Å; P13-K15 VanDerWaalsContact C-N 3.25Å; P13-K15 PolarHBondContact O-N 3.04Å; P13-W16 HydrophobicContact CB-CD2 4.36Å; P13-W16 HydrophobicContact CB-CE3 4.3Å; P13-W16 HydrophobicContact CB-CH2 4.46Å; P13-W16 HydrophobicContact CB-CZ2 4.47Å; P13-W16 HydrophobicContact CB-CZ3 4.36Å; P13-W16 HydrophobicContact CG-CH2 3.96Å; P13-W16 HydrophobicContact CG-CZ2 3.84Å; P13-W16 HydrophobicContact CG-CZ3 4.33Å; P13-R245 HydrophobicContact CB-CG 4.11Å; P13-R245 HydrophobicContact CG-CG 4.34Å |
| 14 | D | 96.3 | Very high | 94.9 | Very high | 111 Ų | 111 | 60.4 Ų | 60.4 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.1 | 177.5 | 68 | -53.9 | 0 | 0 | 0 | 113.2 | G12 | G12-D14 PolarHBondContact O-N 3.34Å; G12-D14 VanDerWaalsContact O-N 3.07Å |
| 15 | K | 96.7 | Very high | 95.4 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -18.3 | 176.6 | -52.5 | -54.2 | -179 | -138.2 | 0 | 113.4 | G12 P13 A17 E18 | G12-K15 WeakPolarHBondContact O-CA 3.47Å; G12-K15 WeakPolarHBondContact O-CB 3.49Å; G12-K15 PolarHBondContact O-N 3.41Å; P13-K15 VanDerWaalsContact C-N 3.25Å; P13-K15 PolarHBondContact O-N 3.04Å; K15-A17 PolarHBondContact O-N 2.94Å; K15-A17 VanDerWaalsContact O-N 3.08Å; K15-E18 WeakPolarHBondContact CD-OE1 3.17Å; K15-E18 VanDerWaalsContact O-CB 3.32Å; K15-E18 WeakPolarHBondContact O-CB 3.24Å; K15-E18 WeakPolarHBondContact O-CG 3.37Å; K15-E18 PolarHBondContact O-N 3.44Å |
| 16 | W | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -57.2 | -32.3 | -173.1 | -68 | -5 | 0 | 0 | 0 | 113.5 | W5 G6 Y7 D11 G12 P13 E18 N19 F20 A23 T198 P200 L202 R245 | W5-W16 AromaticContact CE3-CE2 3.71Å; W5-W16 HydrophobicContact CE3-CH2 4.23Å; W5-W16 AromaticContact CE3-CZ2 3.43Å; W5-W16 HydrophobicContact CE3-CZ2 3.43Å; W5-W16 VanDerWaalsContact CE3-CZ2 3.43Å; W5-W16 AromaticContact CE3-NE1 3.89Å; W5-W16 HydrophobicContact CZ3-CH2 4.05Å; W5-W16 AromaticContact CZ3-CZ2 3.62Å; W5-W16 HydrophobicContact CZ3-CZ2 3.62Å; G6-W16 VanDerWaalsContact O-CZ2 3.3Å; G6-W16 WeakPolarHBondContact O-CZ2 3.21Å; G6-W16 PolarHBondContact O-NE1 3.26Å; Y7-W16 HydrophobicContact CD1-CH2 4.47Å; Y7-W16 HydrophobicContact CD1-CZ2 4.16Å; Y7-W16 AromaticContact CE1-CH2 3.74Å; Y7-W16 HydrophobicContact CE1-CH2 3.74Å; Y7-W16 AromaticContact CE1-CZ2 3.78Å; Y7-W16 HydrophobicContact CE1-CZ2 3.78Å; D11-W16 VanDerWaalsContact O-CD1 3.28Å; D11-W16 PolarHBondContact O-NE1 3.45Å; G12-W16 VanDerWaalsContact C-NE1 3.32Å; G12-W16 PolarHBondContact O-N 3.18Å; G12-W16 PolarHBondContact O-NE1 3.16Å; P13-W16 HydrophobicContact CB-CD2 4.36Å; P13-W16 HydrophobicContact CB-CE3 4.3Å; P13-W16 HydrophobicContact CB-CH2 4.46Å; P13-W16 HydrophobicContact CB-CZ2 4.47Å; P13-W16 HydrophobicContact CB-CZ3 4.36Å; P13-W16 HydrophobicContact CG-CH2 3.96Å; P13-W16 HydrophobicContact CG-CZ2 3.84Å; P13-W16 HydrophobicContact CG-CZ3 4.33Å; W16-E18 PolarHBondContact O-N 2.98Å; W16-E18 VanDerWaalsContact O-N 3.13Å; W16-N19 PolarHBondContact O-N 3.4Å; W16-F20 HydrophobicContact CB-CD2 4.4Å; W16-F20 WeakPolarHBondContact O-CA 3.46Å; W16-F20 WeakPolarHBondContact O-CB 3.3Å; W16-F20 WeakPolarHBondContact O-CD2 3.35Å; W16-F20 PolarHBondContact O-N 2.93Å; W16-A23 HydrophobicContact CB-CB 4.41Å; W16-T198 VanDerWaalsContact CZ3-O 3.23Å; W16-T198 WeakPolarHBondContact CZ3-O 3.4Å; W16-P200 HydrophobicContact CD2-CG 3.73Å; W16-P200 HydrophobicContact CE3-CG 3.99Å; W16-P200 HydrophobicContact CG-CG 3.98Å; W16-L202 HydrophobicContact CB-CD1 4.33Å; W16-L202 HydrophobicContact CE3-CD1 3.92Å; W16-L202 HydrophobicContact CE3-CD2 4.01Å; W16-L202 HydrophobicContact CE3-CG 4.47Å; W16-L202 HydrophobicContact CZ3-CD2 4Å; W16-R245 HydrophobicContact CH2-CB 4.38Å; W16-R245 HydrophobicContact CH2-CG 4.31Å; W16-R245 HydrophobicContact CZ3-CB 4.25Å; W16-R245 HydrophobicContact CZ3-CG 3.77Å |
| 17 | A | 95.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -60.6 | -22 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K15 N19 A23 N24 | K15-A17 PolarHBondContact O-N 2.94Å; K15-A17 VanDerWaalsContact O-N 3.08Å; A17-N19 VanDerWaalsContact C-N 3.33Å; A17-N19 PolarHBondContact O-N 3.18Å; A17-A23 HydrophobicContact CB-CB 3.87Å; A17-N24 WeakPolarHBondContact CB-ND2 3.37Å |
| 18 | E | 94.3 | Very high | 95.6 | Very high | 141 Ų | 141 | 61 Ų | 61 | 66% | 0.659 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -65.6 | -36.4 | 178.9 | -63 | 174 | -161 | 0 | 0 | 112 | K15 W16 | K15-E18 WeakPolarHBondContact CD-OE1 3.17Å; K15-E18 VanDerWaalsContact O-CB 3.32Å; K15-E18 WeakPolarHBondContact O-CB 3.24Å; K15-E18 WeakPolarHBondContact O-CG 3.37Å; K15-E18 PolarHBondContact O-N 3.44Å; W16-E18 PolarHBondContact O-N 2.98Å; W16-E18 VanDerWaalsContact O-N 3.13Å |
| 19 | N | 94.9 | Very high | 95.9 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -17.9 | -177.3 | -61.7 | -63.8 | 0 | 0 | 0 | 113 | H3 W16 A17 | H3-N19 HydrophobicContact CB-CB 3.76Å; H3-N19 PolarHBondContact ND1-OD1 3.05Å; H3-N19 VanDerWaalsContact ND1-OD1 3.15Å; W16-N19 PolarHBondContact O-N 3.4Å; A17-N19 VanDerWaalsContact C-N 3.33Å; A17-N19 PolarHBondContact O-N 3.18Å |
| 20 | F | 95.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | trans | -127.8 | 81.6 | -179.4 | -51.9 | -78 | 0 | 0 | 0 | 109.1 | H3 W5 W16 L22 A23 P200 P201 L202 | H3-F20 HydrophobicContact CB-CZ 4.36Å; W5-F20 HydrophobicContact CB-CE2 4.05Å; W5-F20 HydrophobicContact CG-CE2 4.35Å; W16-F20 HydrophobicContact CB-CD2 4.4Å; W16-F20 WeakPolarHBondContact O-CA 3.46Å; W16-F20 WeakPolarHBondContact O-CB 3.3Å; W16-F20 WeakPolarHBondContact O-CD2 3.35Å; W16-F20 PolarHBondContact O-N 2.93Å; F20-L22 PolarHBondContact O-N 2.8Å; F20-A23 WeakPolarHBondContact O-CB 3.27Å; F20-A23 PolarHBondContact O-N 2.84Å; F20-P200 HydrophobicContact CD1-CB 3.9Å; F20-P200 HydrophobicContact CD2-CB 3.73Å; F20-P200 HydrophobicContact CD2-CG 3.8Å; F20-P200 HydrophobicContact CE1-CB 3.81Å; F20-P200 HydrophobicContact CE2-CB 3.66Å; F20-P200 HydrophobicContact CE2-CG 3.9Å; F20-P200 HydrophobicContact CG-CB 3.85Å; F20-P200 HydrophobicContact CG-CG 4.27Å; F20-P200 HydrophobicContact CZ-CB 3.7Å; F20-P200 HydrophobicContact CZ-CG 4.42Å; F20-P201 HydrophobicContact CD1-CB 4.13Å; F20-L202 HydrophobicContact CB-CD1 4.38Å | ||
| 21 | P | 93.9 | Very high | 96.4 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 67% | 0.669 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -56.9 | -27.3 | -172.3 | -28.2 | 35.9 | 0 | 0 | 0 | 114.6 | A23 N24 | P21-A23 PolarHBondContact O-N 2.81Å; P21-A23 VanDerWaalsContact O-N 3.11Å; P21-N24 PolarHBondContact O-N 2.96Å |
| 22 | L | 95.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -61 | -15.4 | 173.9 | -72.4 | 177 | 0 | 0 | 0 | 113.4 | F20 N24 G25 Q28 L203 | F20-L22 PolarHBondContact O-N 2.8Å; L22-N24 PolarHBondContact O-N 3.39Å; L22-G25 WeakPolarHBondContact O-CA 3.39Å; L22-G25 PolarHBondContact O-N 2.91Å; L22-Q28 WeakPolarHBondContact O-CG 3.31Å; L22-Q28 PolarHBondContact O-NE2 3.22Å; L22-Q28 PolarHBondContact O-OE1 2.96Å; L22-L203 HydrophobicContact CD1-CD2 3.81Å |
| 23 | A | 95.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -52.8 | -27.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W16 A17 F20 P21 Q28 L202 R245 | W16-A23 HydrophobicContact CB-CB 4.41Å; A17-A23 HydrophobicContact CB-CB 3.87Å; F20-A23 WeakPolarHBondContact O-CB 3.27Å; F20-A23 PolarHBondContact O-N 2.84Å; P21-A23 PolarHBondContact O-N 2.81Å; P21-A23 VanDerWaalsContact O-N 3.11Å; A23-Q28 WeakPolarHBondContact O-CG 3.37Å; A23-L202 VanDerWaalsContact CA-CD1 3.41Å; A23-L202 HydrophobicContact CB-CD1 3.32Å; A23-R245 PolarHBondContact O-NH2 2.87Å |
| 24 | N | 94 | Very high | 96.7 | Very high | 118 Ų | 118 | 48.3 Ų | 48.3 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -100.2 | 9.7 | 176.8 | -71.9 | -32.8 | 0 | 0 | 0 | 113.7 | A17 P21 L22 K251 | A17-N24 WeakPolarHBondContact CB-ND2 3.37Å; P21-N24 PolarHBondContact O-N 2.96Å; L22-N24 PolarHBondContact O-N 3.39Å; N24-K251 PolarHBondContact O-NZ 2.79Å |
| 25 | G | 96 | Very high | 96.8 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | trans | -59.3 | 160.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L22 R27 Q28 E204 K251 | L22-G25 WeakPolarHBondContact O-CA 3.39Å; L22-G25 PolarHBondContact O-N 2.91Å; G25-R27 PolarHBondContact O-N 2.76Å; G25-Q28 WeakPolarHBondContact O-CG 3.46Å; G25-E204 WeakPolarHBondContact CA-OE1 3.22Å; G25-K251 PolarHBondContact O-NZ 3.42Å | ||
| 26 | P | 96.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.4 | -174.6 | 28.9 | -35.9 | 0 | 0 | 0 | 115 | E204 K251 | P26-E204 WeakPolarHBondContact CD-OE1 3.41Å; P26-K251 HydrophobicContact CB-CD 4.44Å; P26-K251 VanDerWaalsContact O-CD 3.3Å; P26-K251 WeakPolarHBondContact O-CD 3.48Å |
| 27 | R | 97.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 28% | 0.279 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 38 | -173.4 | -54.7 | -179.4 | -65.7 | 153.9 | 7.6 | 112.1 | G25 G195 S196 E204 R253 | G25-R27 PolarHBondContact O-N 2.76Å; R27-G195 CarbonylContact O-C 3.5Å; R27-G195 WeakPolarHBondContact O-CA 3.46Å; R27-S196 PolarHBondContact O-N 3.14Å; R27-E204 WeakPolarHBondContact CA-OE1 3.31Å; R27-E204 HydrophobicContact CB-CB 4.43Å; R27-E204 HydrophobicContact CB-CG 4.31Å; R27-E204 IonicContact CZ-OE2 3.19Å; R27-E204 PolarHBondContact N-OE1 2.73Å; R27-E204 IonicContact NE-OE2 3.96Å; R27-E204 PolarHBondContact NE-OE2 2.88Å; R27-E204 PolarHBondContact NH2-O 3.21Å; R27-E204 IonicContact NH2-OE2 3.87Å; R27-R253 HydrophobicContact CG-CG 4.37Å; R27-R253 PolarHBondContact O-NH1 3.17Å; R27-R253 VanDerWaalsContact O-NH1 3.15Å |
| 28 | Q | 98.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | trans | -70.4 | 149.7 | 179.2 | -69.5 | -70.6 | -67.2 | 0 | 0 | 113.1 | L22 A23 G25 S196 L202 Q248 R253 | L22-Q28 WeakPolarHBondContact O-CG 3.31Å; L22-Q28 PolarHBondContact O-NE2 3.22Å; L22-Q28 PolarHBondContact O-OE1 2.96Å; A23-Q28 WeakPolarHBondContact O-CG 3.37Å; G25-Q28 WeakPolarHBondContact O-CG 3.46Å; Q28-S196 WeakPolarHBondContact CA-OG 3.47Å; Q28-S196 PolarHBondContact NE2-OG 2.94Å; Q28-L202 PolarHBondContact NE2-O 2.67Å; Q28-Q248 HydrophobicContact CB-CB 3.96Å; Q28-Q248 HydrophobicContact CB-CG 3.92Å; Q28-R253 PolarHBondContact O-NH1 3.06Å; Q28-R253 PolarHBondContact O-NH2 3.28Å | ||
| 29 | S | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -119.1 | 157.6 | 176.3 | -68.1 | 0 | 0 | 0 | 0 | 110.5 | Y193 G195 S196 W208 R245 | S29-Y193 WeakPolarHBondContact CB-OH 3.42Å; S29-Y193 WeakPolarHBondContact OG-CE2 3.45Å; S29-Y193 PolarHBondContact OG-OH 3.3Å; S29-G195 VanDerWaalsContact OG-CA 3.3Å; S29-G195 WeakPolarHBondContact OG-CA 3.41Å; S29-S196 WeakPolarHBondContact CB-O 3.38Å; S29-S196 PolarHBondContact N-OG 3.09Å; S29-S196 PolarHBondContact OG-N 2.89Å; S29-W208 PolarHBondContact OG-NE1 2.97Å; S29-R245 WeakPolarHBondContact O-CD 3.32Å; S29-R245 PolarHBondContact O-NH1 2.87Å |
| 30 | P | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | cis | -78.4 | -179.8 | -0.5 | 35.3 | -39.2 | 0 | 0 | 0 | 112.3 | E106 T198 R245 Q248 | P30-E106 HydrophobicContact CB-CB 3.77Å; P30-E106 WeakPolarHBondContact CB-O 3.11Å; P30-E106 VanDerWaalsContact CG-C 3.49Å; P30-E106 HydrophobicContact CG-CB 3.69Å; P30-E106 HydrophobicContact CG-CG 4.43Å; P30-E106 WeakPolarHBondContact CG-O 3.16Å; P30-T198 HydrophobicContact CB-CG2 4.44Å; P30-R245 WeakPolarHBondContact CG-O 3.32Å; P30-Q248 WeakPolarHBondContact O-CB 3.5Å; P30-Q248 PolarHBondContact O-N 3.14Å | ||
| 31 | I | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -132.1 | 162.9 | 174.2 | 61.4 | 168.1 | 0 | 0 | 0 | 111.4 | I33 T108 Y193 L250 V255 | I31-I33 HydrophobicContact CD1-CG1 4.43Å; I31-I33 HydrophobicContact CG1-CG1 4.36Å; I31-T108 PolarHBondContact O-N 2.75Å; I31-Y193 HydrophobicContact CD1-CD1 3.7Å; I31-Y193 HydrophobicContact CD1-CD2 3.87Å; I31-Y193 HydrophobicContact CD1-CE1 3.71Å; I31-Y193 HydrophobicContact CD1-CE2 3.9Å; I31-Y193 HydrophobicContact CD1-CG 3.8Å; I31-Y193 HydrophobicContact CG1-CD1 4.3Å; I31-Y193 HydrophobicContact CG1-CE1 3.78Å; I31-Y193 HydrophobicContact CG1-CE2 4.06Å; I31-Y193 HydrophobicContact CG2-CE2 4.12Å; I31-L250 HydrophobicContact CD1-CD1 3.56Å; I31-L250 HydrophobicContact CG2-CD1 4.3Å; I31-V255 HydrophobicContact CD1-CG2 3.56Å | ||
| 32 | N | 98.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 121.1 | 161.3 | 177.4 | 33.9 | 0 | 0 | 0 | 109.7 | V34 T108 N110 G111 | N32-V34 WeakPolarHBondContact ND2-CG2 3Å; N32-V34 PolarHBondContact O-N 2.9Å; N32-T108 VanDerWaalsContact CA-OG1 3.29Å; N32-T108 WeakPolarHBondContact CA-OG1 3.46Å; N32-T108 VanDerWaalsContact CB-OG1 3.3Å; N32-T108 WeakPolarHBondContact CB-OG1 3.38Å; N32-T108 PolarHBondContact OD1-O 3.26Å; N32-T108 PolarHBondContact OD1-OG1 2.74Å; N32-T108 VanDerWaalsContact OD1-OG1 3.13Å; N32-N110 PolarHBondContact OD1-N 3.08Å; N32-G111 PolarHBondContact OD1-N 3.44Å |
| 33 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 102.8 | 174.3 | -60.7 | 172.1 | 0 | 0 | 0 | 107.8 | I31 T35 T108 I109 N110 W191 V210 V255 | I31-I33 HydrophobicContact CD1-CG1 4.43Å; I31-I33 HydrophobicContact CG1-CG1 4.36Å; I33-T35 PolarHBondContact O-N 3.19Å; I33-T108 PolarHBondContact N-O 2.66Å; I33-I109 WeakPolarHBondContact O-CA 3.17Å; I33-N110 PolarHBondContact O-N 2.86Å; I33-W191 HydrophobicContact CD1-CB 4.16Å; I33-W191 HydrophobicContact CD1-CD2 4.24Å; I33-W191 HydrophobicContact CD1-CE3 3.99Å; I33-W191 HydrophobicContact CD1-CG 4.35Å; I33-W191 HydrophobicContact CG2-CD2 3.77Å; I33-W191 HydrophobicContact CG2-CE3 4.32Å; I33-W191 HydrophobicContact CG2-CG 3.86Å; I33-W191 HydrophobicContact CG2-CZ2 4.38Å; I33-V210 HydrophobicContact CD1-CB 3.99Å; I33-V210 HydrophobicContact CD1-CG1 3.94Å; I33-V210 HydrophobicContact CD1-CG2 4.23Å; I33-V255 HydrophobicContact CG2-CG1 4.27Å |
| 34 | V | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | trans | -85.1 | 104.1 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | N32 K36 E37 A38 N110 | N32-V34 WeakPolarHBondContact ND2-CG2 3Å; N32-V34 PolarHBondContact O-N 2.9Å; V34-K36 HydrophobicContact CG1-CD 4.23Å; V34-K36 HydrophobicContact CG1-CG 3.53Å; V34-K36 PolarHBondContact O-N 3.39Å; V34-E37 HydrophobicContact CB-CB 4.2Å; V34-E37 HydrophobicContact CB-CG 4.49Å; V34-E37 HydrophobicContact CG1-CB 4.14Å; V34-E37 HydrophobicContact CG1-CG 4.01Å; V34-E37 WeakPolarHBondContact CG1-OE1 3.49Å; V34-E37 PolarHBondContact O-N 2.96Å; V34-A38 PolarHBondContact O-N 2.85Å; V34-N110 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 35 | T | 97.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.5 | -167.1 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | I33 E37 I109 N110 W191 | I33-T35 PolarHBondContact O-N 3.19Å; T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.87Å; T35-I109 HydrophobicContact CG2-CG2 3.55Å; T35-N110 PolarHBondContact N-OD1 3.14Å; T35-N110 PolarHBondContact OG1-ND2 2.89Å; T35-N110 PolarHBondContact OG1-OD1 3.4Å; T35-W191 HydrophobicContact CG2-CH2 4.42Å; T35-W191 HydrophobicContact CG2-CZ2 3.76Å |
| 36 | K | 97.1 | Very high | 98.2 | Very high | 173 Ų | 173 | 67.5 Ų | 67.5 | 75% | 0.752 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.8 | 175.8 | 61.3 | 166.9 | -169.2 | 178.5 | 0 | 113.8 | V34 | V34-K36 HydrophobicContact CG1-CD 4.23Å; V34-K36 HydrophobicContact CG1-CG 3.53Å; V34-K36 PolarHBondContact O-N 3.39Å |
| 37 | E | 97.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 64.4 Ų | 64.4 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -18.9 | -180 | -74.4 | 164.2 | -142.2 | 0 | 0 | 111.8 | V34 T35 Q39 | V34-E37 HydrophobicContact CB-CB 4.2Å; V34-E37 HydrophobicContact CB-CG 4.49Å; V34-E37 HydrophobicContact CG1-CB 4.14Å; V34-E37 HydrophobicContact CG1-CG 4.01Å; V34-E37 WeakPolarHBondContact CG1-OE1 3.49Å; V34-E37 PolarHBondContact O-N 2.96Å; T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.87Å; E37-Q39 PolarHBondContact O-N 3.43Å |
| 38 | A | 97.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V34 V255 | V34-A38 PolarHBondContact O-N 2.85Å; A38-V255 WeakPolarHBondContact CA-O 3.38Å; A38-V255 HydrophobicContact CB-CB 4.33Å; A38-V255 HydrophobicContact CB-CG1 4.14Å |
| 39 | Q | 98 | Very high | 98.3 | Very high | 106 Ų | 106 | 68.6 Ų | 68.6 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.2 | -175.4 | -63 | -168.5 | 2.2 | 0 | 0 | 110.8 | E37 D41 V255 R256 A257 | E37-Q39 PolarHBondContact O-N 3.43Å; Q39-D41 PolarHBondContact O-N 3Å; Q39-V255 PolarHBondContact N-O 2.72Å; Q39-R256 CarbonylContact O-C 3.33Å; Q39-R256 VanDerWaalsContact O-CA 3.27Å; Q39-R256 WeakPolarHBondContact O-CA 3.47Å; Q39-A257 PolarHBondContact O-N 2.81Å |
| 40 | Y | 98.4 | Very high | 98.2 | Very high | 102 Ų | 102 | 74.4 Ų | 74.4 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 123.5 | 169.8 | 172.5 | -118.2 | 0 | 0 | 0 | 109.9 | P42 A257 F259 K260 | Y40-P42 HydrophobicContact CE1-CB 3.88Å; Y40-P42 HydrophobicContact CE1-CG 4.43Å; Y40-A257 WeakPolarHBondContact CA-O 3.46Å; Y40-A257 WeakPolarHBondContact CD2-O 3.39Å; Y40-F259 WeakPolarHBondContact CD2-O 3.38Å; Y40-K260 HydrophobicContact CD1-CD 4.45Å; Y40-K260 HydrophobicContact CD1-CG 3.71Å; Y40-K260 HydrophobicContact CD2-CG 4.15Å; Y40-K260 HydrophobicContact CE1-CD 4.28Å; Y40-K260 VanDerWaalsContact CE1-CE 3.46Å; Y40-K260 HydrophobicContact CE1-CG 3.79Å; Y40-K260 HydrophobicContact CE2-CG 4.24Å; Y40-K260 HydrophobicContact CG-CG 3.88Å |
| 41 | D | 98.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | trans | -115 | 104.9 | 177.8 | 178.3 | -3.2 | 0 | 0 | 0 | 109.1 | Q39 S43 L44 R256 A257 | Q39-D41 PolarHBondContact O-N 3Å; D41-S43 VanDerWaalsContact CG-OG 3.23Å; D41-S43 PolarHBondContact O-N 2.71Å; D41-S43 VanDerWaalsContact O-N 3.16Å; D41-S43 WeakPolarHBondContact OD1-CA 3.5Å; D41-S43 VanDerWaalsContact OD1-CB 3.24Å; D41-S43 WeakPolarHBondContact OD1-CB 3.43Å; D41-S43 PolarHBondContact OD1-N 2.87Å; D41-S43 PolarHBondContact OD1-OG 3.34Å; D41-S43 PolarHBondContact OD2-OG 2.91Å; D41-L44 HydrophobicContact CB-CD1 3.94Å; D41-L44 HydrophobicContact CB-CG 3.87Å; D41-L44 WeakPolarHBondContact O-CB 3.29Å; D41-L44 PolarHBondContact O-N 2.86Å; D41-L44 VanDerWaalsContact O-N 3.17Å; D41-R256 HydrophobicContact CB-CB 4.14Å; D41-R256 HydrophobicContact CB-CG 4.45Å; D41-R256 WeakPolarHBondContact OD2-CD 3.38Å; D41-R256 IonicContact OD2-CZ 3.74Å; D41-R256 IonicContact OD2-NE 3.95Å; D41-R256 IonicContact OD2-NH1 2.76Å; D41-R256 PolarHBondContact OD2-NH1 2.78Å; D41-A257 PolarHBondContact N-O 2.94Å | ||
| 42 | P | 97.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 77.4 Ų | 77.4 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.4 | -178.9 | 29 | -35.2 | 0 | 0 | 0 | 113.6 | Y40 L44 | Y40-P42 HydrophobicContact CE1-CB 3.88Å; Y40-P42 HydrophobicContact CE1-CG 4.43Å; P42-L44 VanDerWaalsContact C-N 3.32Å |
| 43 | S | 98 | Very high | 98.1 | Very high | 81 Ų | 81 | 77 Ų | 77 | 57% | 0.566 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.7 | 175.2 | 78.4 | 0 | 0 | 0 | 0 | 113.1 | D41 K45 | D41-S43 VanDerWaalsContact CG-OG 3.23Å; D41-S43 PolarHBondContact O-N 2.71Å; D41-S43 VanDerWaalsContact O-N 3.16Å; D41-S43 WeakPolarHBondContact OD1-CA 3.5Å; D41-S43 VanDerWaalsContact OD1-CB 3.24Å; D41-S43 WeakPolarHBondContact OD1-CB 3.43Å; D41-S43 PolarHBondContact OD1-N 2.87Å; D41-S43 PolarHBondContact OD1-OG 3.34Å; D41-S43 PolarHBondContact OD2-OG 2.91Å; S43-K45 PolarHBondContact O-N 2.84Å |
| 44 | L | 98.5 | Very high | 98 | Very high | 23 Ų | 23 | 80 Ų | 80 | 12% | 0.12 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 124.7 | 177.1 | -73.3 | -180 | 0 | 0 | 0 | 110.9 | D41 P42 P83 Y190 T192 R256 | D41-L44 HydrophobicContact CB-CD1 3.94Å; D41-L44 HydrophobicContact CB-CG 3.87Å; D41-L44 WeakPolarHBondContact O-CB 3.29Å; D41-L44 PolarHBondContact O-N 2.86Å; D41-L44 VanDerWaalsContact O-N 3.17Å; P42-L44 VanDerWaalsContact C-N 3.32Å; L44-P83 HydrophobicContact CD2-CB 3.76Å; L44-Y190 WeakPolarHBondContact CB-OH 3.24Å; L44-Y190 HydrophobicContact CD1-CE2 4.12Å; L44-Y190 HydrophobicContact CD2-CE2 4.39Å; L44-T192 HydrophobicContact CD1-CG2 3.96Å; L44-T192 HydrophobicContact CD2-CG2 4Å; L44-R256 HydrophobicContact CD1-CB 4.07Å |
| 45 | K | 98.3 | Very high | 98 | Very high | 148 Ų | 148 | 79.1 Ų | 79.1 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 165.4 | -178.3 | -61.3 | 176.5 | -174.4 | 171.6 | 0 | 110.4 | S43 G82 Y190 | S43-K45 PolarHBondContact O-N 2.84Å; K45-G82 PolarHBondContact N-O 3.38Å; K45-G82 VanDerWaalsContact O-CA 3.3Å; K45-G82 WeakPolarHBondContact O-CA 3.15Å; K45-Y190 PolarHBondContact O-OH 3.45Å; K45-Y190 VanDerWaalsContact O-OH 3.04Å |
| 46 | R | 98 | Very high | 98 | Very high | 223 Ų | 223 | 76.4 Ų | 76.4 | 84% | 0.842 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 142.4 | 167.6 | -66.4 | -177.8 | 177.3 | 175.6 | -1.3 | 110.5 | G82 | R46-G82 PolarHBondContact O-N 3.15Š|
| 47 | L | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 140.1 | 169.7 | -63.9 | 168.8 | 0 | 0 | 0 | 109.9 | L49 L79 L188 Y190 I209 L211 | L47-L49 HydrophobicContact CB-CD1 4.18Å; L47-L79 HydrophobicContact CD2-CD1 4.1Å; L47-L188 HydrophobicContact CB-CD1 4.43Å; L47-L188 HydrophobicContact CD1-CB 4.35Å; L47-Y190 HydrophobicContact CD1-CD1 3.6Å; L47-Y190 HydrophobicContact CD1-CE1 4.06Å; L47-Y190 HydrophobicContact CD1-CG 4.11Å; L47-Y190 HydrophobicContact CD2-CD1 4.46Å; L47-Y190 HydrophobicContact CD2-CE1 4.19Å; L47-Y190 HydrophobicContact CG-CD1 3.83Å; L47-Y190 HydrophobicContact CG-CE1 3.74Å; L47-I209 HydrophobicContact CD1-CG2 3.56Å; L47-I209 HydrophobicContact CD2-CD1 3.89Å; L47-I209 HydrophobicContact CD2-CG2 3.83Å; L47-I209 HydrophobicContact CG-CG2 4.32Å; L47-L211 HydrophobicContact CD1-CD2 3.75Å |
| 48 | K | 98.4 | Very high | 97.9 | Very high | 141 Ų | 141 | 71.7 Ų | 71.7 | 61% | 0.613 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 107.3 | 173.3 | -64 | -179.8 | -178.5 | -176.9 | 0 | 108.2 | L79 T80 | K48-L79 WeakPolarHBondContact O-CA 3.27Å; K48-T80 WeakPolarHBondContact CB-OG1 3.44Å; K48-T80 PolarHBondContact N-O 3.06Å; K48-T80 PolarHBondContact O-N 3.43Å |
| 49 | L | 98.4 | Very high | 98 | Very high | 24 Ų | 24 | 70.8 Ų | 70.8 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.7 | -178.7 | -60.9 | 129.6 | 0 | 0 | 0 | 108.3 | L47 Y51 L79 V143 L184 L188 | L47-L49 HydrophobicContact CB-CD1 4.18Å; L49-Y51 HydrophobicContact CB-CE2 4.29Å; L49-Y51 HydrophobicContact CD2-CE2 4.21Å; L49-Y51 WeakPolarHBondContact CD2-OH 3.36Å; L49-L79 HydrophobicContact CD2-CD1 3.76Å; L49-L79 HydrophobicContact CG-CD1 3.96Å; L49-V143 HydrophobicContact CD2-CG2 4.21Å; L49-L184 HydrophobicContact CB-CD1 4.31Å; L49-L184 HydrophobicContact CD1-CD1 3.85Å; L49-L184 HydrophobicContact CD1-CD2 4.38Å; L49-L188 HydrophobicContact CD1-CD1 3.85Å; L49-L188 HydrophobicContact CD1-CD2 4.34Å |
| 50 | Q | 97.8 | Very high | 98 | Very high | 123 Ų | 123 | 67.4 Ų | 67.4 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.7 | 176.4 | 173.8 | 177.6 | -10 | 0 | 0 | 107.4 | S77 T78 | Q50-S77 CarbonylContact O-C 3.59Å; Q50-S77 WeakPolarHBondContact O-CA 3.48Å; Q50-T78 PolarHBondContact N-O 2.9Å; Q50-T78 PolarHBondContact O-N 2.9Å |
| 51 | Y | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | trans | -126.3 | 126.9 | 179.1 | -56.3 | -40.1 | 0 | 0 | 0 | 110.2 | L49 P53 L90 L120 H122 A180 R181 | L49-Y51 HydrophobicContact CB-CE2 4.29Å; L49-Y51 HydrophobicContact CD2-CE2 4.21Å; L49-Y51 WeakPolarHBondContact CD2-OH 3.36Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; Y51-L90 HydrophobicContact CD1-CB 4.21Å; Y51-L90 HydrophobicContact CD1-CD2 3.78Å; Y51-L90 HydrophobicContact CD2-CD2 4.47Å; Y51-L90 HydrophobicContact CE1-CB 3.94Å; Y51-L90 HydrophobicContact CE1-CD2 3.85Å; Y51-L90 HydrophobicContact CE1-CG 4.33Å; Y51-L90 HydrophobicContact CG-CD2 4.11Å; Y51-L120 HydrophobicContact CE2-CD1 4.23Å; Y51-H122 AromaticContact CE1-NE2 3.53Å; Y51-H122 AromaticContact CZ-NE2 3.53Å; Y51-H122 PolarHBondContact OH-CE1 2.71Å; Y51-H122 PolarHBondContact OH-NE2 3.04Å; Y51-A180 HydrophobicContact CD2-CB 3.59Å; Y51-A180 HydrophobicContact CE2-CB 3.88Å; Y51-A180 HydrophobicContact CG-CB 4.35Å; Y51-R181 HydrophobicContact CD2-CB 4.43Å; Y51-R181 HydrophobicContact CD2-CG 3.51Å; Y51-R181 HydrophobicContact CE2-CG 4.2Å; Y51-R181 HydrophobicContact CG-CG 4.19Å | ||
| 52 | D | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | trans | -82.2 | 116.4 | 170.8 | -171.3 | -31.9 | 0 | 0 | 0 | 108.6 | S54 N55 S76 S77 | D52-S54 PolarHBondContact O-N 2.89Å; D52-S54 VanDerWaalsContact O-N 3.14Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.34Å; D52-S54 PolarHBondContact OD1-N 3.11Å; D52-S54 PolarHBondContact OD1-OG 3.03Å; D52-S54 PolarHBondContact OD2-OG 2.7Å; D52-N55 WeakPolarHBondContact O-CB 3.33Å; D52-N55 PolarHBondContact O-N 2.71Å; D52-N55 VanDerWaalsContact O-N 3.08Å; D52-S76 PolarHBondContact N-O 3.1Å; D52-S77 PolarHBondContact N-OG 3.24Å | ||
| 53 | P | 97.8 | Very high | 98 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 29% | 0.292 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -60 | -26.5 | -178.8 | -21.3 | 33.1 | 0 | 0 | 0 | 113.4 | Y51 N55 A56 N177 F178 D179 | Y51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-N55 PolarHBondContact O-N 2.8Å; P53-A56 PolarHBondContact O-N 3.22Å; P53-N177 CarbonylContact O-C 3.59Å; P53-N177 WeakPolarHBondContact O-CA 3.44Å; P53-N177 PolarHBondContact O-N 3.08Å; P53-F178 WeakPolarHBondContact CA-O 3.49Å; P53-F178 PolarHBondContact O-N 3.27Å; P53-D179 HydrophobicContact CB-CB 4.25Å; P53-D179 HydrophobicContact CG-CB 3.83Å |
| 54 | S | 97.7 | Very high | 98 | Very high | 64 Ų | 64 | 57 Ų | 57 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -71.5 | -15.5 | -179.8 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | D52 A56 | D52-S54 PolarHBondContact O-N 2.89Å; D52-S54 VanDerWaalsContact O-N 3.14Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.34Å; D52-S54 PolarHBondContact OD1-N 3.11Å; D52-S54 PolarHBondContact OD1-OG 3.03Å; D52-S54 PolarHBondContact OD2-OG 2.7Å; S54-A56 VanDerWaalsContact C-N 3.33Å; S54-A56 PolarHBondContact O-N 2.96Å |
| 55 | N | 98 | Very high | 98 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -74 | -21.6 | 177.3 | -74 | 4.3 | 0 | 0 | 0 | 113 | D52 P53 R57 F70 V71 S76 S77 | D52-N55 WeakPolarHBondContact O-CB 3.33Å; D52-N55 PolarHBondContact O-N 2.71Å; D52-N55 VanDerWaalsContact O-N 3.08Å; P53-N55 PolarHBondContact O-N 2.8Å; N55-R57 PolarHBondContact O-N 3.02Å; N55-F70 HydrophobicContact CB-CB 4.41Å; N55-F70 HydrophobicContact CB-CD1 3.98Å; N55-F70 CarbonylContact O-C 3.57Å; N55-F70 VanDerWaalsContact O-CA 3.25Å; N55-F70 WeakPolarHBondContact O-CA 3.22Å; N55-V71 HydrophobicContact CB-CB 4.17Å; N55-V71 PolarHBondContact ND2-O 2.73Å; N55-V71 VanDerWaalsContact ND2-O 3.15Å; N55-V71 PolarHBondContact O-N 3.09Å; N55-S76 PolarHBondContact ND2-OG 2.8Å; N55-S77 WeakPolarHBondContact ND2-CB 3.17Å; N55-S77 PolarHBondContact ND2-OG 3.47Å |
| 56 | A | 98 | Very high | 98 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 130 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P53 S54 F70 F175 S176 F178 | P53-A56 PolarHBondContact O-N 3.22Å; S54-A56 VanDerWaalsContact C-N 3.33Å; S54-A56 PolarHBondContact O-N 2.96Å; A56-F70 HydrophobicContact CB-CD1 4.26Å; A56-F70 HydrophobicContact CB-CE1 3.87Å; A56-F70 HydrophobicContact CB-CZ 4.22Å; A56-F175 CarbonylContact C-O 3.09Å; A56-F175 HydrophobicContact CB-CD1 4.35Å; A56-F175 WeakPolarHBondContact CB-O 3.18Å; A56-S176 WeakPolarHBondContact O-CA 3.4Å; A56-F178 HydrophobicContact CB-CB 3.93Å |
| 57 | R | 95 | Very high | 98 | Very high | 166 Ų | 166 | 40.2 Ų | 40.2 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | -41.3 | -177.2 | -78.8 | -163.4 | 171.2 | 171.6 | 12.6 | 115.3 | N55 D69 V71 F175 | N55-R57 PolarHBondContact O-N 3.02Å; R57-D69 PolarHBondContact N-O 3.36Å; R57-V71 HydrophobicContact CG-CG2 3.69Å; R57-F175 CarbonylContact C-O 3.5Å; R57-F175 VanDerWaalsContact C-O 3.25Å; R57-F175 WeakPolarHBondContact CA-O 3.41Å; R57-F175 PolarHBondContact N-O 2.81Å; R57-F175 VanDerWaalsContact N-O 3.11Å; R57-F175 PolarHBondContact O-N 3.36Å; R57-F175 VanDerWaalsContact O-N 3.1Å |
| 58 | G | 97.6 | Very high | 98 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112 | V68 D69 T173 | G58-V68 CarbonylContact O-C 3.55Å; G58-V68 VanDerWaalsContact O-CA 3.3Å; G58-V68 WeakPolarHBondContact O-CA 2.99Å; G58-D69 PolarHBondContact O-N 2.95Å; G58-T173 WeakPolarHBondContact CA-O 3.14Å |
| 59 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.2 | 166.5 | -167.2 | 178.7 | 0 | 0 | 0 | 108.3 | F66 Q67 V68 V159 A162 L163 I166 Q172 T173 F175 | I59-F66 HydrophobicContact CD1-CD2 3.89Å; I59-F66 HydrophobicContact CD1-CE2 4.35Å; I59-F66 HydrophobicContact CG1-CD2 4.14Å; I59-Q67 VanDerWaalsContact CA-O 3.29Å; I59-Q67 WeakPolarHBondContact CA-O 3.33Å; I59-V68 HydrophobicContact CB-CG2 4.03Å; I59-V68 HydrophobicContact CD1-CG2 3.87Å; I59-V68 HydrophobicContact CG1-CG2 3.66Å; I59-V159 HydrophobicContact CD1-CG1 4.43Å; I59-A162 HydrophobicContact CD1-CB 4.05Å; I59-A162 HydrophobicContact CG2-CB 4Å; I59-L163 HydrophobicContact CD1-CD2 4.22Å; I59-I166 HydrophobicContact CD1-CD1 3.91Å; I59-I166 HydrophobicContact CG1-CD1 3.74Å; I59-I166 HydrophobicContact CG2-CG2 4.28Å; I59-Q172 CarbonylContact O-C 3.42Å; I59-Q172 WeakPolarHBondContact O-CA 3.37Å; I59-T173 HydrophobicContact CG2-CG2 3.46Å; I59-T173 VanDerWaalsContact CG2-CG2 3.46Å; I59-T173 PolarHBondContact N-O 3.48Å; I59-T173 PolarHBondContact O-N 2.8Å; I59-F175 HydrophobicContact CB-CB 3.82Å; I59-F175 HydrophobicContact CB-CD2 4.3Å; I59-F175 HydrophobicContact CB-CG 4.12Å; I59-F175 HydrophobicContact CG2-CB 3.88Å; I59-F175 HydrophobicContact CG2-CD2 4.18Å; I59-F175 HydrophobicContact CG2-CG 4.32Å |
| 60 | L | 98.5 | Very high | 98 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 18% | 0.183 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.6 | -171.1 | 156.5 | 71.3 | 0 | 0 | 0 | 109 | N62 F66 Q67 Q172 | L60-N62 HydrophobicContact CD2-CB 4.15Å; L60-N62 HydrophobicContact CG-CB 4.22Å; L60-F66 CarbonylContact O-C 3.49Å; L60-F66 WeakPolarHBondContact O-CA 3.48Å; L60-Q67 HydrophobicContact CB-CG 4.06Å; L60-Q67 HydrophobicContact CD2-CG 4.04Å; L60-Q67 HydrophobicContact CG-CG 4.27Å; L60-Q67 PolarHBondContact N-O 3.04Å; L60-Q67 PolarHBondContact O-N 2.93Å; L60-Q172 HydrophobicContact CB-CB 4.18Å; L60-Q172 HydrophobicContact CD1-CB 4.21Å |
| 61 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 110.5 | 159.4 | 176.8 | -17.6 | 0 | 0 | 0 | 108.9 | G63 I166 K167 G170 K171 L229 M240 | N61-G63 VanDerWaalsContact C-N 3.31Å; N61-G63 WeakPolarHBondContact OD1-CA 3.27Å; N61-G63 PolarHBondContact OD1-N 3.37Å; N61-I166 HydrophobicContact CB-CB 4.2Å; N61-I166 HydrophobicContact CB-CD1 4.28Å; N61-I166 WeakPolarHBondContact CB-O 3.28Å; N61-I166 PolarHBondContact ND2-O 2.82Å; N61-I166 VanDerWaalsContact ND2-O 3.15Å; N61-K167 PolarHBondContact ND2-O 3.41Å; N61-K167 VanDerWaalsContact ND2-O 3.15Å; N61-G170 PolarHBondContact O-N 3.42Å; N61-K171 PolarHBondContact N-O 2.72Å; N61-L229 PolarHBondContact ND2-O 3.15Å; N61-M240 VanDerWaalsContact OD1-CE 3.29Å; N61-M240 WeakPolarHBondContact OD1-CE 3.35Å |
| 62 | N | 97.8 | Very high | 98 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 26% | 0.257 | 16% | 0.161 | S | C | . | . | trans | -89.5 | 3 | -177.2 | 66.7 | 20.2 | 0 | 0 | 0 | 113.2 | L60 H64 S65 Q67 | L60-N62 HydrophobicContact CD2-CB 4.15Å; L60-N62 HydrophobicContact CG-CB 4.22Å; N62-H64 VanDerWaalsContact C-N 3.34Å; N62-H64 WeakPolarHBondContact OD1-CA 3.34Å; N62-H64 WeakPolarHBondContact OD1-CB 3.06Å; N62-H64 PolarHBondContact OD1-N 3.13Å; N62-S65 PolarHBondContact N-O 3.38Å; N62-S65 PolarHBondContact OD1-N 3.11Å; N62-S65 PolarHBondContact OD1-O 2.84Å; N62-Q67 PolarHBondContact ND2-OE1 2.85Å | ||
| 63 | G | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 82.5 | 7.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N61 F230 | N61-G63 VanDerWaalsContact C-N 3.31Å; N61-G63 WeakPolarHBondContact OD1-CA 3.27Å; N61-G63 PolarHBondContact OD1-N 3.37Å; G63-F230 VanDerWaalsContact O-CD1 3.28Å; G63-F230 WeakPolarHBondContact O-CD1 3.46Å |
| 64 | H | 97.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -133.7 | -30.8 | 174.6 | -55.2 | -68.7 | 0 | 0 | 0 | 111.8 | W5 Y7 N62 N243 | W5-H64 HydrophobicContact CH2-CB 3.88Å; W5-H64 AromaticContact CH2-CG 3.68Å; W5-H64 AromaticContact CH2-ND1 3.82Å; W5-H64 HydrophobicContact CZ2-CB 4.41Å; W5-H64 AromaticContact CZ2-CD2 3.93Å; W5-H64 AromaticContact CZ2-CG 3.85Å; W5-H64 HydrophobicContact CZ3-CB 4.47Å; W5-H64 AromaticContact CZ3-ND1 3.91Å; W5-H64 PolarHBondContact O-CE1 3.43Å; Y7-H64 HydrophobicContact CE2-CB 4.48Å; N62-H64 VanDerWaalsContact C-N 3.34Å; N62-H64 WeakPolarHBondContact OD1-CA 3.34Å; N62-H64 WeakPolarHBondContact OD1-CB 3.06Å; N62-H64 PolarHBondContact OD1-N 3.13Å; H64-N243 WeakPolarHBondContact O-CB 3.32Å; H64-N243 PolarHBondContact O-ND2 3.5Å |
| 65 | S | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -154.5 | -176.2 | 169 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | N62 F95 W97 M240 | N62-S65 PolarHBondContact N-O 3.38Å; N62-S65 PolarHBondContact OD1-N 3.11Å; N62-S65 PolarHBondContact OD1-O 2.84Å; S65-F95 PolarHBondContact OG-O 3.19Å; S65-W97 WeakPolarHBondContact OG-CZ3 3.44Å; S65-M240 VanDerWaalsContact CA-SD 3.51Å |
| 66 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 147.4 | 153.3 | 71.6 | -90.7 | 0 | 0 | 0 | 109.9 | I59 L60 H94 F95 W97 V159 L163 I166 F225 L228 | I59-F66 HydrophobicContact CD1-CD2 3.89Å; I59-F66 HydrophobicContact CD1-CE2 4.35Å; I59-F66 HydrophobicContact CG1-CD2 4.14Å; L60-F66 CarbonylContact O-C 3.49Å; L60-F66 WeakPolarHBondContact O-CA 3.48Å; F66-H94 WeakPolarHBondContact O-CA 3.48Å; F66-H94 WeakPolarHBondContact O-CB 3.45Å; F66-F95 HydrophobicContact CE1-CD2 4.02Å; F66-F95 AromaticContact CE2-CD2 3.66Å; F66-F95 HydrophobicContact CE2-CD2 3.66Å; F66-F95 AromaticContact CE2-CE2 3.79Å; F66-F95 HydrophobicContact CE2-CE2 3.79Å; F66-F95 AromaticContact CZ-CD2 3.24Å; F66-F95 HydrophobicContact CZ-CD2 3.24Å; F66-F95 AromaticContact CZ-CE2 3.55Å; F66-F95 HydrophobicContact CZ-CE2 3.55Å; F66-F95 HydrophobicContact CZ-CG 4.16Å; F66-W97 AromaticContact CD1-CH2 3.75Å; F66-W97 HydrophobicContact CD1-CH2 3.75Å; F66-W97 AromaticContact CD1-CZ3 3.96Å; F66-W97 HydrophobicContact CD1-CZ3 3.96Å; F66-W97 HydrophobicContact CE1-CH2 4.09Å; F66-W97 AromaticContact CE1-CZ3 3.93Å; F66-W97 HydrophobicContact CE1-CZ3 3.93Å; F66-V159 HydrophobicContact CD2-CG1 4.48Å; F66-V159 HydrophobicContact CE2-CG1 3.47Å; F66-V159 VanDerWaalsContact CE2-CG1 3.47Å; F66-V159 HydrophobicContact CZ-CG1 3.64Å; F66-L163 HydrophobicContact CD1-CD2 3.85Å; F66-L163 HydrophobicContact CD2-CD2 4.19Å; F66-L163 HydrophobicContact CE1-CD1 4.49Å; F66-L163 HydrophobicContact CE1-CD2 3.96Å; F66-L163 HydrophobicContact CE2-CD2 4.31Å; F66-L163 HydrophobicContact CG-CD2 3.95Å; F66-L163 HydrophobicContact CZ-CD2 4.18Å; F66-I166 HydrophobicContact CB-CD1 3.62Å; F66-I166 HydrophobicContact CG-CD1 4.38Å; F66-F225 AromaticContact CE1-CD1 3.7Å; F66-F225 HydrophobicContact CE1-CD1 3.7Å; F66-F225 AromaticContact CE1-CE1 3.6Å; F66-F225 HydrophobicContact CE1-CE1 3.6Å; F66-F225 HydrophobicContact CE1-CZ 4.38Å; F66-F225 HydrophobicContact CZ-CD1 4.26Å; F66-F225 AromaticContact CZ-CE1 3.68Å; F66-F225 HydrophobicContact CZ-CE1 3.68Å; F66-F225 HydrophobicContact CZ-CZ 4.16Å; F66-L228 HydrophobicContact CB-CD1 4.19Å; F66-L228 HydrophobicContact CD1-CD1 3.54Å; F66-L228 HydrophobicContact CE1-CD1 4.38Å; F66-L228 HydrophobicContact CG-CD1 4.27Å |
| 67 | Q | 97.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.3 | 176.4 | 67 | -176.2 | 59.7 | 0 | 0 | 110.2 | I59 L60 N62 D69 F93 H94 | I59-Q67 VanDerWaalsContact CA-O 3.29Å; I59-Q67 WeakPolarHBondContact CA-O 3.33Å; L60-Q67 HydrophobicContact CB-CG 4.06Å; L60-Q67 HydrophobicContact CD2-CG 4.04Å; L60-Q67 HydrophobicContact CG-CG 4.27Å; L60-Q67 PolarHBondContact N-O 3.04Å; L60-Q67 PolarHBondContact O-N 2.93Å; N62-Q67 PolarHBondContact ND2-OE1 2.85Å; Q67-D69 PolarHBondContact NE2-OD1 2.8Å; Q67-D69 PolarHBondContact NE2-OD2 2.79Å; Q67-F93 CarbonylContact C-O 3.59Å; Q67-F93 WeakPolarHBondContact CA-O 3.29Å; Q67-H94 HydrophobicContact CB-CB 4.37Å |
| 68 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.8 | 167 | 175.4 | 0 | 0 | 0 | 0 | 108.4 | G58 I59 F70 Q92 F93 F175 | G58-V68 CarbonylContact O-C 3.55Å; G58-V68 VanDerWaalsContact O-CA 3.3Å; G58-V68 WeakPolarHBondContact O-CA 2.99Å; I59-V68 HydrophobicContact CB-CG2 4.03Å; I59-V68 HydrophobicContact CD1-CG2 3.87Å; I59-V68 HydrophobicContact CG1-CG2 3.66Å; V68-F70 HydrophobicContact CB-CE2 4.37Å; V68-F70 HydrophobicContact CG1-CD2 4.42Å; V68-F70 HydrophobicContact CG1-CE2 3.73Å; V68-F70 HydrophobicContact CG1-CZ 4.22Å; V68-Q92 CarbonylContact O-C 3.47Å; V68-Q92 WeakPolarHBondContact O-CA 3.3Å; V68-Q92 VanDerWaalsContact O-CB 3.3Å; V68-Q92 WeakPolarHBondContact O-CB 3.4Å; V68-F93 HydrophobicContact CB-CD1 4.07Å; V68-F93 HydrophobicContact CB-CD2 4.29Å; V68-F93 HydrophobicContact CB-CE1 3.59Å; V68-F93 HydrophobicContact CB-CE2 3.82Å; V68-F93 HydrophobicContact CB-CG 4.39Å; V68-F93 HydrophobicContact CB-CZ 3.46Å; V68-F93 VanDerWaalsContact CB-CZ 3.46Å; V68-F93 HydrophobicContact CG1-CD1 4.46Å; V68-F93 HydrophobicContact CG1-CE1 3.76Å; V68-F93 HydrophobicContact CG1-CZ 3.94Å; V68-F93 HydrophobicContact CG2-CD2 4.43Å; V68-F93 HydrophobicContact CG2-CE1 4.03Å; V68-F93 HydrophobicContact CG2-CE2 3.58Å; V68-F93 HydrophobicContact CG2-CZ 3.36Å; V68-F93 PolarHBondContact N-O 3.24Å; V68-F93 PolarHBondContact O-N 3.23Å; V68-F175 HydrophobicContact CB-CD1 4.44Å; V68-F175 HydrophobicContact CG1-CD1 3.46Å; V68-F175 VanDerWaalsContact CG1-CD1 3.46Å; V68-F175 HydrophobicContact CG1-CE1 3.73Å; V68-F175 HydrophobicContact CG1-CG 4.42Å; V68-F175 HydrophobicContact CG2-CD1 4.06Å; V68-F175 HydrophobicContact CG2-CE1 4.02Å |
| 69 | D | 98.4 | Very high | 98 | Very high | 47 Ų | 47 | 26.9 Ų | 26.9 | 25% | 0.251 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 141.6 | -177.1 | -68.9 | -55.1 | 0 | 0 | 0 | 112 | R57 G58 Q67 | R57-D69 PolarHBondContact N-O 3.36Å; G58-D69 PolarHBondContact O-N 2.95Å; Q67-D69 PolarHBondContact NE2-OD1 2.8Å; Q67-D69 PolarHBondContact NE2-OD2 2.79Å |
| 70 | F | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.2 | 178.6 | -69.9 | -104.3 | 0 | 0 | 0 | 111.2 | N55 A56 V68 L90 K91 F93 F178 A180 | N55-F70 HydrophobicContact CB-CB 4.41Å; N55-F70 HydrophobicContact CB-CD1 3.98Å; N55-F70 CarbonylContact O-C 3.57Å; N55-F70 VanDerWaalsContact O-CA 3.25Å; N55-F70 WeakPolarHBondContact O-CA 3.22Å; A56-F70 HydrophobicContact CB-CD1 4.26Å; A56-F70 HydrophobicContact CB-CE1 3.87Å; A56-F70 HydrophobicContact CB-CZ 4.22Å; V68-F70 HydrophobicContact CB-CE2 4.37Å; V68-F70 HydrophobicContact CG1-CD2 4.42Å; V68-F70 HydrophobicContact CG1-CE2 3.73Å; V68-F70 HydrophobicContact CG1-CZ 4.22Å; F70-L90 HydrophobicContact CB-CG 4.46Å; F70-L90 HydrophobicContact CD1-CD2 3.77Å; F70-L90 HydrophobicContact CD2-CD2 3.87Å; F70-L90 HydrophobicContact CD2-CG 4.08Å; F70-L90 HydrophobicContact CE1-CD2 3.81Å; F70-L90 HydrophobicContact CE2-CD2 3.93Å; F70-L90 HydrophobicContact CG-CD2 3.8Å; F70-L90 HydrophobicContact CG-CG 4.1Å; F70-L90 HydrophobicContact CZ-CD2 3.9Å; F70-K91 PolarHBondContact N-O 3.08Å; F70-F93 AromaticContact CE2-CD1 3.54Å; F70-F93 HydrophobicContact CE2-CD1 3.54Å; F70-F93 AromaticContact CE2-CE1 3.69Å; F70-F93 HydrophobicContact CE2-CE1 3.69Å; F70-F93 AromaticContact CZ-CD1 3.98Å; F70-F93 HydrophobicContact CZ-CD1 3.98Å; F70-F93 AromaticContact CZ-CE1 3.82Å; F70-F93 HydrophobicContact CZ-CE1 3.82Å; F70-F178 HydrophobicContact CZ-CD1 4.39Å; F70-A180 HydrophobicContact CZ-CB 4.1Å |
| 71 | V | 98 | Very high | 98.1 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | trans | -67 | 129.1 | 163.9 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | N55 R57 D73 | N55-V71 HydrophobicContact CB-CB 4.17Å; N55-V71 PolarHBondContact ND2-O 2.73Å; N55-V71 VanDerWaalsContact ND2-O 3.15Å; N55-V71 PolarHBondContact O-N 3.09Å; R57-V71 HydrophobicContact CG-CG2 3.69Å; V71-D73 HydrophobicContact CG1-CB 4.31Å; V71-D73 VanDerWaalsContact CG1-CG 3.42Å; V71-D73 VanDerWaalsContact CG1-OD1 3.25Å; V71-D73 WeakPolarHBondContact CG1-OD1 2.8Å; V71-D73 WeakPolarHBondContact CG1-OD2 3.37Å | ||
| 72 | D | 97.4 | Very high | 98 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | trans | -130.5 | 26.1 | -175.6 | 62 | -33.5 | 0 | 0 | 0 | 112.8 | R89 K91 W123 | D72-R89 HydrophobicContact CB-CB 4.24Å; D72-R89 WeakPolarHBondContact O-CD 3.45Å; D72-R89 PolarHBondContact O-NH1 2.83Å; D72-K91 IonicContact OD1-NZ 3.62Å; D72-K91 PolarHBondContact OD1-NZ 2.67Å; D72-K91 WeakPolarHBondContact OD2-CD 3.42Å; D72-K91 IonicContact OD2-NZ 3.45Å; D72-K91 PolarHBondContact OD2-NZ 3.47Å; D72-W123 HydrophobicContact CB-CZ2 4.46Å; D72-W123 PolarHBondContact OD2-NE1 3.26Å | ||
| 73 | D | 96.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 27.2 Ų | 27.2 | 57% | 0.572 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -76.6 | -22 | 177 | 59.6 | 8.5 | 0 | 0 | 0 | 113.4 | V71 R89 | V71-D73 HydrophobicContact CG1-CB 4.31Å; V71-D73 VanDerWaalsContact CG1-CG 3.42Å; V71-D73 VanDerWaalsContact CG1-OD1 3.25Å; V71-D73 WeakPolarHBondContact CG1-OD1 2.8Å; V71-D73 WeakPolarHBondContact CG1-OD2 3.37Å; D73-R89 PolarHBondContact O-NH1 3.24Å |
| 74 | T | 96.4 | Very high | 98.1 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 42% | 0.423 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -133.3 | 164.9 | -177.1 | 54.8 | 0 | 0 | 0 | 0 | 112 | S76 R89 | T74-S76 PolarHBondContact O-N 2.89Å; T74-S76 PolarHBondContact OG1-OG 2.77Å; T74-S76 VanDerWaalsContact OG1-OG 3.12Å; T74-R89 WeakPolarHBondContact O-CD 3.21Å; T74-R89 PolarHBondContact O-NE 3.15Å |
| 75 | D | 97.6 | Very high | 98.1 | Very high | 80 Ų | 80 | 30.7 Ų | 30.7 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 33.4 | 179.5 | -69.4 | -1 | 0 | 0 | 0 | 112.9 | T78 R89 | D75-T78 HydrophobicContact CB-CG2 3.94Å; D75-T78 WeakPolarHBondContact O-CG2 3.24Å; D75-R89 IonicContact OD1-CZ 3.7Å; D75-R89 IonicContact OD1-NE 2.73Å; D75-R89 PolarHBondContact OD1-NE 2.88Å; D75-R89 IonicContact OD1-NH2 2.83Å; D75-R89 PolarHBondContact OD1-NH2 2.66Å |
| 76 | S | 97.4 | Very high | 98 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -26.4 | -178.3 | 52 | 0 | 0 | 0 | 0 | 113.7 | D52 N55 T74 | D52-S76 PolarHBondContact N-O 3.1Å; N55-S76 PolarHBondContact ND2-OG 2.8Å; T74-S76 PolarHBondContact O-N 2.89Å; T74-S76 PolarHBondContact OG1-OG 2.77Å; T74-S76 VanDerWaalsContact OG1-OG 3.12Å |
| 77 | S | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.6 | 97.5 | 173.6 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | Q50 D52 N55 R89 L90 | Q50-S77 CarbonylContact O-C 3.59Å; Q50-S77 WeakPolarHBondContact O-CA 3.48Å; D52-S77 PolarHBondContact N-OG 3.24Å; N55-S77 WeakPolarHBondContact ND2-CB 3.17Å; N55-S77 PolarHBondContact ND2-OG 3.47Å; S77-R89 WeakPolarHBondContact O-CA 3.32Å; S77-L90 PolarHBondContact O-N 2.57Å |
| 78 | T | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154.6 | -168.3 | 60 | 0 | 0 | 0 | 0 | 114.7 | Q50 D75 T87 Y88 R89 | Q50-T78 PolarHBondContact N-O 2.9Å; Q50-T78 PolarHBondContact O-N 2.9Å; D75-T78 HydrophobicContact CB-CG2 3.94Å; D75-T78 WeakPolarHBondContact O-CG2 3.24Å; T78-T87 HydrophobicContact CG2-CG2 3.5Å; T78-T87 VanDerWaalsContact CG2-CG2 3.5Å; T78-Y88 CarbonylContact C-O 3.57Å; T78-Y88 WeakPolarHBondContact CA-O 3.47Å; T78-R89 HydrophobicContact CG2-CG 4.26Å |
| 79 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.8 | 165.1 | 169.5 | 64.3 | 0 | 0 | 0 | 108.4 | L47 K48 L49 I84 Y88 A141 V143 I209 | L47-L79 HydrophobicContact CD2-CD1 4.1Å; K48-L79 WeakPolarHBondContact O-CA 3.27Å; L49-L79 HydrophobicContact CD2-CD1 3.76Å; L49-L79 HydrophobicContact CG-CD1 3.96Å; L79-I84 HydrophobicContact CD2-CD1 3.98Å; L79-I84 HydrophobicContact CG-CD1 3.69Å; L79-Y88 PolarHBondContact N-O 2.85Å; L79-Y88 PolarHBondContact O-N 2.95Å; L79-A141 HydrophobicContact CD2-CB 3.91Å; L79-V143 HydrophobicContact CD2-CG2 3.93Å; L79-I209 HydrophobicContact CD2-CD1 3.88Å |
| 80 | T | 98.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 23% | 0.233 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 168.2 | 172.3 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | K48 T87 | K48-T80 WeakPolarHBondContact CB-OG1 3.44Å; K48-T80 PolarHBondContact N-O 3.06Å; K48-T80 PolarHBondContact O-N 3.43Å; T80-T87 HydrophobicContact CG2-CG2 4.23Å |
| 81 | G | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.5 | -149.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I84 | G81-I84 WeakPolarHBondContact O-CG1 3.21Å; G81-I84 PolarHBondContact O-N 2.87Å |
| 82 | G | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -137.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K45 R46 Y190 | K45-G82 PolarHBondContact N-O 3.38Å; K45-G82 VanDerWaalsContact O-CA 3.3Å; K45-G82 WeakPolarHBondContact O-CA 3.15Å; R46-G82 PolarHBondContact O-N 3.15Å; G82-Y190 VanDerWaalsContact C-OH 3.24Å; G82-Y190 WeakPolarHBondContact CA-OH 3.18Å |
| 83 | P | 98.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 34 Ų | 34 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4 | 176.5 | 35.8 | -32.2 | 0 | 0 | 0 | 114.5 | L44 Y190 T192 T207 I209 | L44-P83 HydrophobicContact CD2-CB 3.76Å; P83-Y190 HydrophobicContact CG-CE2 4.09Å; P83-T192 HydrophobicContact CB-CG2 3.86Å; P83-T192 HydrophobicContact CG-CG2 4.21Å; P83-T192 VanDerWaalsContact CG-OG1 3.27Å; P83-T192 WeakPolarHBondContact CG-OG1 3.41Å; P83-T207 HydrophobicContact CB-CG2 4.38Å; P83-T207 HydrophobicContact CG-CG2 3.95Å; P83-I209 HydrophobicContact CG-CD1 3.98Å; P83-I209 HydrophobicContact CG-CG1 3.65Å |
| 84 | I | 98.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | trans | -95 | 160.1 | -174.4 | 56.7 | 166.6 | 0 | 0 | 0 | 111.6 | L79 G81 Y88 A141 T207 | L79-I84 HydrophobicContact CD2-CD1 3.98Å; L79-I84 HydrophobicContact CG-CD1 3.69Å; G81-I84 WeakPolarHBondContact O-CG1 3.21Å; G81-I84 PolarHBondContact O-N 2.87Å; I84-Y88 HydrophobicContact CB-CD2 4.37Å; I84-Y88 HydrophobicContact CB-CE2 3.84Å; I84-Y88 HydrophobicContact CD1-CD2 3.53Å; I84-Y88 HydrophobicContact CD1-CE2 3.9Å; I84-Y88 HydrophobicContact CD1-CG 4.07Å; I84-Y88 HydrophobicContact CG1-CD2 4.45Å; I84-Y88 HydrophobicContact CG1-CE2 4.37Å; I84-Y88 HydrophobicContact CG2-CE2 4.27Å; I84-A141 HydrophobicContact CG2-CB 3.98Å; I84-T207 HydrophobicContact CG2-CG2 3.85Å | ||
| 85 | S | 97 | Very high | 98.5 | Very high | 100 Ų | 100 | 26.8 Ų | 26.8 | 70% | 0.699 | 17% | 0.166 | S | C | * | . | trans | -116 | 131.2 | 173.4 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 86 | G | 97.4 | Very high | 98.5 | Very high | 46 Ų | 46 | 23.1 Ų | 23.1 | 47% | 0.474 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 88.9 | -156 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 87 | T | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 21.9 Ų | 21.9 | 23% | 0.227 | 14% | 0.138 | C | C | . | . | trans | -115.2 | 132.2 | -174.5 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | T78 T80 T125 | T78-T87 HydrophobicContact CG2-CG2 3.5Å; T78-T87 VanDerWaalsContact CG2-CG2 3.5Å; T80-T87 HydrophobicContact CG2-CG2 4.23Å; T87-T125 HydrophobicContact CG2-CG2 4.3Å; T87-T125 PolarHBondContact O-N 2.95Å; T87-T125 PolarHBondContact O-OG1 3.01Å; T87-T125 VanDerWaalsContact O-OG1 3.11Å | ||
| 88 | Y | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.5 | 176.6 | -72.3 | -121.4 | 0 | 0 | 0 | 109.6 | T78 L79 I84 W123 N124 D138 A141 | T78-Y88 CarbonylContact C-O 3.57Å; T78-Y88 WeakPolarHBondContact CA-O 3.47Å; L79-Y88 PolarHBondContact N-O 2.85Å; L79-Y88 PolarHBondContact O-N 2.95Å; I84-Y88 HydrophobicContact CB-CD2 4.37Å; I84-Y88 HydrophobicContact CB-CE2 3.84Å; I84-Y88 HydrophobicContact CD1-CD2 3.53Å; I84-Y88 HydrophobicContact CD1-CE2 3.9Å; I84-Y88 HydrophobicContact CD1-CG 4.07Å; I84-Y88 HydrophobicContact CG1-CD2 4.45Å; I84-Y88 HydrophobicContact CG1-CE2 4.37Å; I84-Y88 HydrophobicContact CG2-CE2 4.27Å; Y88-W123 CarbonylContact C-O 3.52Å; Y88-W123 WeakPolarHBondContact CA-O 3.48Å; Y88-N124 HydrophobicContact CD1-CB 3.87Å; Y88-N124 HydrophobicContact CD2-CB 4.3Å; Y88-N124 HydrophobicContact CE1-CB 3.49Å; Y88-N124 VanDerWaalsContact CE1-CB 3.49Å; Y88-N124 HydrophobicContact CE2-CB 3.97Å; Y88-N124 HydrophobicContact CG-CB 4.27Å; Y88-N124 VanDerWaalsContact CZ-ND2 3.28Å; Y88-N124 PolarHBondContact OH-ND2 3.5Å; Y88-D138 PolarHBondContact OH-O 3.38Å; Y88-A141 HydrophobicContact CD1-CB 3.5Å; Y88-A141 HydrophobicContact CE1-CB 3.75Å; Y88-A141 HydrophobicContact CG-CB 4.11Å |
| 89 | R | 98.9 | Very high | 98.6 | Very high | 43 Ų | 43 | 22.7 Ų | 22.7 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.4 | 179.5 | -74 | 174.3 | -170.6 | 178.6 | -1 | 111.1 | D72 D73 T74 D75 S77 T78 K91 H122 W123 T125 | D72-R89 HydrophobicContact CB-CB 4.24Å; D72-R89 WeakPolarHBondContact O-CD 3.45Å; D72-R89 PolarHBondContact O-NH1 2.83Å; D73-R89 PolarHBondContact O-NH1 3.24Å; T74-R89 WeakPolarHBondContact O-CD 3.21Å; T74-R89 PolarHBondContact O-NE 3.15Å; D75-R89 IonicContact OD1-CZ 3.7Å; D75-R89 IonicContact OD1-NE 2.73Å; D75-R89 PolarHBondContact OD1-NE 2.88Å; D75-R89 IonicContact OD1-NH2 2.83Å; D75-R89 PolarHBondContact OD1-NH2 2.66Å; S77-R89 WeakPolarHBondContact O-CA 3.32Å; T78-R89 HydrophobicContact CG2-CG 4.26Å; R89-K91 PolarHBondContact O-N 2.87Å; R89-H122 CarbonylContact O-C 3.08Å; R89-H122 WeakPolarHBondContact O-CA 3.12Å; R89-H122 WeakPolarHBondContact O-CB 3.4Å; R89-W123 HydrophobicContact CB-CZ2 4.41Å; R89-W123 PolarHBondContact N-O 3.39Å; R89-W123 PolarHBondContact O-N 3.02Å; R89-T125 HydrophobicContact CB-CG2 4.38Å; R89-T125 HydrophobicContact CG-CG2 3.52Å |
| 90 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.2 | 172.5 | 177.5 | 65.7 | 0 | 0 | 0 | 109 | Y51 F70 S77 L120 A180 | Y51-L90 HydrophobicContact CD1-CB 4.21Å; Y51-L90 HydrophobicContact CD1-CD2 3.78Å; Y51-L90 HydrophobicContact CD2-CD2 4.47Å; Y51-L90 HydrophobicContact CE1-CB 3.94Å; Y51-L90 HydrophobicContact CE1-CD2 3.85Å; Y51-L90 HydrophobicContact CE1-CG 4.33Å; Y51-L90 HydrophobicContact CG-CD2 4.11Å; F70-L90 HydrophobicContact CB-CG 4.46Å; F70-L90 HydrophobicContact CD1-CD2 3.77Å; F70-L90 HydrophobicContact CD2-CD2 3.87Å; F70-L90 HydrophobicContact CD2-CG 4.08Å; F70-L90 HydrophobicContact CE1-CD2 3.81Å; F70-L90 HydrophobicContact CE2-CD2 3.93Å; F70-L90 HydrophobicContact CG-CD2 3.8Å; F70-L90 HydrophobicContact CG-CG 4.1Å; F70-L90 HydrophobicContact CZ-CD2 3.9Å; S77-L90 PolarHBondContact O-N 2.57Å; L90-L120 HydrophobicContact CD1-CB 4.24Å; L90-A180 HydrophobicContact CD2-CB 4.19Å |
| 91 | K | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 25.1 Ų | 25.1 | 24% | 0.243 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -51.6 | 176.2 | -177.3 | 60.7 | 178.1 | 176.9 | 0 | 111.9 | F70 D72 R89 V121 F130 | F70-K91 PolarHBondContact N-O 3.08Å; D72-K91 IonicContact OD1-NZ 3.62Å; D72-K91 PolarHBondContact OD1-NZ 2.67Å; D72-K91 WeakPolarHBondContact OD2-CD 3.42Å; D72-K91 IonicContact OD2-NZ 3.45Å; D72-K91 PolarHBondContact OD2-NZ 3.47Å; R89-K91 PolarHBondContact O-N 2.87Å; K91-V121 PolarHBondContact N-O 3.22Å; K91-F130 HydrophobicContact CB-CD2 4.04Å; K91-F130 HydrophobicContact CB-CE2 4.24Å; K91-F130 HydrophobicContact CD-CD2 4.36Å; K91-F130 HydrophobicContact CG-CD2 3.85Å; K91-F130 HydrophobicContact CG-CE2 4.13Å; K91-F130 HydrophobicContact CG-CG 4.38Å |
| 92 | Q | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 166.7 | -172.9 | 53.7 | 85.7 | -27.7 | 0 | 0 | 110.3 | V68 H94 V121 | V68-Q92 CarbonylContact O-C 3.47Å; V68-Q92 WeakPolarHBondContact O-CA 3.3Å; V68-Q92 VanDerWaalsContact O-CB 3.3Å; V68-Q92 WeakPolarHBondContact O-CB 3.4Å; Q92-H94 PolarHBondContact NE2-ND1 3.34Å; Q92-H94 VanDerWaalsContact NE2-ND1 3.18Å; Q92-H94 PolarHBondContact OE1-ND1 2.69Å; Q92-V121 HydrophobicContact CG-CB 4.22Å; Q92-V121 PolarHBondContact O-N 2.73Å |
| 93 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.3 | 154.5 | 69.5 | -103.8 | 0 | 0 | 0 | 111.9 | Q67 V68 F70 F95 L118 H119 L120 V159 F178 A180 L183 | Q67-F93 CarbonylContact C-O 3.59Å; Q67-F93 WeakPolarHBondContact CA-O 3.29Å; V68-F93 HydrophobicContact CB-CD1 4.07Å; V68-F93 HydrophobicContact CB-CD2 4.29Å; V68-F93 HydrophobicContact CB-CE1 3.59Å; V68-F93 HydrophobicContact CB-CE2 3.82Å; V68-F93 HydrophobicContact CB-CG 4.39Å; V68-F93 HydrophobicContact CB-CZ 3.46Å; V68-F93 VanDerWaalsContact CB-CZ 3.46Å; V68-F93 HydrophobicContact CG1-CD1 4.46Å; V68-F93 HydrophobicContact CG1-CE1 3.76Å; V68-F93 HydrophobicContact CG1-CZ 3.94Å; V68-F93 HydrophobicContact CG2-CD2 4.43Å; V68-F93 HydrophobicContact CG2-CE1 4.03Å; V68-F93 HydrophobicContact CG2-CE2 3.58Å; V68-F93 HydrophobicContact CG2-CZ 3.36Å; V68-F93 PolarHBondContact N-O 3.24Å; V68-F93 PolarHBondContact O-N 3.23Å; F70-F93 AromaticContact CE2-CD1 3.54Å; F70-F93 HydrophobicContact CE2-CD1 3.54Å; F70-F93 AromaticContact CE2-CE1 3.69Å; F70-F93 HydrophobicContact CE2-CE1 3.69Å; F70-F93 AromaticContact CZ-CD1 3.98Å; F70-F93 HydrophobicContact CZ-CD1 3.98Å; F70-F93 AromaticContact CZ-CE1 3.82Å; F70-F93 HydrophobicContact CZ-CE1 3.82Å; F93-F95 HydrophobicContact CD2-CD2 4.4Å; F93-F95 AromaticContact CD2-CE2 3.79Å; F93-F95 HydrophobicContact CD2-CE2 3.79Å; F93-F95 AromaticContact CE2-CE2 3.73Å; F93-F95 HydrophobicContact CE2-CE2 3.73Å; F93-F95 HydrophobicContact CE2-CZ 4.47Å; F93-L118 HydrophobicContact CB-CD1 3.88Å; F93-L118 HydrophobicContact CD2-CD1 3.84Å; F93-L118 HydrophobicContact CG-CD1 4.11Å; F93-H119 WeakPolarHBondContact CA-O 3.37Å; F93-H119 VanDerWaalsContact CB-O 3.28Å; F93-H119 WeakPolarHBondContact CB-O 3.48Å; F93-L120 HydrophobicContact CB-CD2 3.46Å; F93-L120 VanDerWaalsContact CB-CD2 3.46Å; F93-L120 HydrophobicContact CD1-CD2 4.15Å; F93-L120 HydrophobicContact CG-CD2 4Å; F93-V159 HydrophobicContact CE2-CG2 4.37Å; F93-V159 HydrophobicContact CZ-CG2 4.12Å; F93-F178 AromaticContact CE1-CD1 3.85Å; F93-F178 HydrophobicContact CE1-CD1 3.85Å; F93-F178 AromaticContact CE1-CE1 3.57Å; F93-F178 HydrophobicContact CE1-CE1 3.57Å; F93-F178 HydrophobicContact CZ-CD1 4.16Å; F93-F178 AromaticContact CZ-CE1 3.67Å; F93-F178 HydrophobicContact CZ-CE1 3.67Å; F93-F178 HydrophobicContact CZ-CZ 4.36Å; F93-A180 HydrophobicContact CD1-CB 4.39Å; F93-L183 HydrophobicContact CE1-CD1 4.33Å; F93-L183 HydrophobicContact CE2-CD1 4.17Å; F93-L183 HydrophobicContact CZ-CD1 4.06Å |
| 94 | H | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 175 | 174.6 | 60.5 | -73.6 | 0 | 0 | 0 | 110.1 | F66 Q67 Q92 H96 L118 H119 | F66-H94 WeakPolarHBondContact O-CA 3.48Å; F66-H94 WeakPolarHBondContact O-CB 3.45Å; Q67-H94 HydrophobicContact CB-CB 4.37Å; Q92-H94 PolarHBondContact NE2-ND1 3.34Å; Q92-H94 VanDerWaalsContact NE2-ND1 3.18Å; Q92-H94 PolarHBondContact OE1-ND1 2.69Å; H94-H96 AromaticContact CD2-NE2 3.53Å; H94-H96 AromaticContact NE2-NE2 3.41Å; H94-H96 PolarHBondContact NE2-NE2 3.07Å; H94-L118 WeakPolarHBondContact O-CD1 3.38Å; H94-H119 PolarHBondContact N-O 3.15Å; H94-H119 VanDerWaalsContact N-O 3.12Å; H94-H119 AromaticContact NE2-ND1 3.61Å; H94-H119 PolarHBondContact O-N 2.85Å |
| 95 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154.9 | -179.5 | -63 | -105.6 | 0 | 0 | 0 | 111.5 | S65 F66 F93 W97 E117 L118 L147 L156 L183 F225 | S65-F95 PolarHBondContact OG-O 3.19Å; F66-F95 HydrophobicContact CE1-CD2 4.02Å; F66-F95 AromaticContact CE2-CD2 3.66Å; F66-F95 HydrophobicContact CE2-CD2 3.66Å; F66-F95 AromaticContact CE2-CE2 3.79Å; F66-F95 HydrophobicContact CE2-CE2 3.79Å; F66-F95 AromaticContact CZ-CD2 3.24Å; F66-F95 HydrophobicContact CZ-CD2 3.24Å; F66-F95 AromaticContact CZ-CE2 3.55Å; F66-F95 HydrophobicContact CZ-CE2 3.55Å; F66-F95 HydrophobicContact CZ-CG 4.16Å; F93-F95 HydrophobicContact CD2-CD2 4.4Å; F93-F95 AromaticContact CD2-CE2 3.79Å; F93-F95 HydrophobicContact CD2-CE2 3.79Å; F93-F95 AromaticContact CE2-CE2 3.73Å; F93-F95 HydrophobicContact CE2-CE2 3.73Å; F93-F95 HydrophobicContact CE2-CZ 4.47Å; F95-W97 HydrophobicContact CB-CE3 3.78Å; F95-W97 HydrophobicContact CB-CZ3 3.88Å; F95-W97 WeakPolarHBondContact O-CZ3 3.41Å; F95-E117 CarbonylContact C-O 3.43Å; F95-E117 VanDerWaalsContact CA-O 3.29Å; F95-E117 WeakPolarHBondContact CA-O 3.08Å; F95-L118 HydrophobicContact CD1-CB 3.67Å; F95-L118 HydrophobicContact CD1-CD1 4.14Å; F95-L118 HydrophobicContact CD1-CG 4.44Å; F95-L118 HydrophobicContact CD2-CD1 4.17Å; F95-L118 HydrophobicContact CE1-CB 3.56Å; F95-L118 HydrophobicContact CE1-CD1 3.83Å; F95-L118 HydrophobicContact CE1-CD2 4.13Å; F95-L118 HydrophobicContact CE1-CG 4.04Å; F95-L118 HydrophobicContact CE2-CD1 3.83Å; F95-L118 HydrophobicContact CG-CB 4.49Å; F95-L118 HydrophobicContact CG-CD1 4.33Å; F95-L118 HydrophobicContact CZ-CB 4.27Å; F95-L118 HydrophobicContact CZ-CD1 3.66Å; F95-L118 HydrophobicContact CZ-CD2 4.19Å; F95-L118 HydrophobicContact CZ-CG 4.26Å; F95-L147 HydrophobicContact CD1-CD1 4.09Å; F95-L147 HydrophobicContact CD1-CD2 4.38Å; F95-L147 HydrophobicContact CE1-CD1 4.06Å; F95-L147 HydrophobicContact CE1-CD2 4.09Å; F95-L156 HydrophobicContact CE1-CD2 4.26Å; F95-L156 HydrophobicContact CZ-CD2 3.94Å; F95-L183 HydrophobicContact CZ-CD1 4.31Å; F95-F225 HydrophobicContact CB-CD1 4.45Å; F95-F225 HydrophobicContact CB-CE1 3.96Å; F95-F225 AromaticContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CZ 4.34Å; F95-F225 AromaticContact CD2-CE1 3.99Å; F95-F225 HydrophobicContact CD2-CE1 3.99Å; F95-F225 HydrophobicContact CE1-CE1 4.23Å; F95-F225 HydrophobicContact CE1-CZ 4.28Å; F95-F225 HydrophobicContact CE2-CE1 4.38Å; F95-F225 AromaticContact CG-CE1 3.7Å; F95-F225 HydrophobicContact CG-CE1 3.7Å; F95-F225 HydrophobicContact CG-CZ 4.49Å; F95-F225 HydrophobicContact CZ-CE1 4.5Å; F95-F225 HydrophobicContact CZ-CZ 4.41Å |
| 96 | H | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.5 | 165.7 | -65.3 | -91.5 | 0 | 0 | 0 | 108.4 | H94 G104 E106 C116 E117 H119 N243 F244 | H94-H96 AromaticContact CD2-NE2 3.53Å; H94-H96 AromaticContact NE2-NE2 3.41Å; H94-H96 PolarHBondContact NE2-NE2 3.07Å; H96-G104 CarbonylContact C-O 3.41Å; H96-E106 HydrophobicContact CB-CG 3.99Å; H96-E106 IonicContact CD2-OE2 2.97Å; H96-E106 IonicContact CE1-OE1 2.86Å; H96-E106 IonicContact CE1-OE2 3.82Å; H96-E106 IonicContact CG-OE2 2.95Å; H96-E106 IonicContact ND1-OE1 3.3Å; H96-E106 IonicContact ND1-OE2 3.55Å; H96-E106 IonicContact NE2-OE2 3.55Å; H96-E106 PolarHBondContact NE2-OE2 2.89Å; H96-C116 CarbonylContact O-C 3.25Å; H96-C116 WeakPolarHBondContact O-CA 3.37Å; H96-C116 PolarHBondContact O-SG 2.86Å; H96-E117 PolarHBondContact N-O 2.49Å; H96-E117 PolarHBondContact O-N 3.33Å; H96-H119 AromaticContact CD2-CE1 3.38Å; H96-H119 PolarHBondContact CD2-CE1 3.23Å; H96-H119 AromaticContact CD2-ND1 3.55Å; H96-H119 AromaticContact NE2-CE1 3.6Å; H96-H119 AromaticContact NE2-ND1 3.54Å; H96-N243 PolarHBondContact ND1-O 2.81Å; H96-F244 HydrophobicContact CB-CB 4.12Å |
| 97 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 157.5 | -177.5 | 61.7 | 88.6 | 0 | 0 | 0 | 113 | S65 F66 F95 G104 P115 C116 M222 F225 L228 M240 D242 N243 | S65-W97 WeakPolarHBondContact OG-CZ3 3.44Å; F66-W97 AromaticContact CD1-CH2 3.75Å; F66-W97 HydrophobicContact CD1-CH2 3.75Å; F66-W97 AromaticContact CD1-CZ3 3.96Å; F66-W97 HydrophobicContact CD1-CZ3 3.96Å; F66-W97 HydrophobicContact CE1-CH2 4.09Å; F66-W97 AromaticContact CE1-CZ3 3.93Å; F66-W97 HydrophobicContact CE1-CZ3 3.93Å; F95-W97 HydrophobicContact CB-CE3 3.78Å; F95-W97 HydrophobicContact CB-CZ3 3.88Å; F95-W97 WeakPolarHBondContact O-CZ3 3.41Å; W97-G104 PolarHBondContact N-O 3.35Å; W97-P115 WeakPolarHBondContact CA-O 3.4Å; W97-C116 HydrophobicContact CB-CB 4Å; W97-M222 HydrophobicContact CB-CE 3.81Å; W97-F225 HydrophobicContact CD2-CB 4.14Å; W97-F225 HydrophobicContact CD2-CD1 4.05Å; W97-F225 AromaticContact CE3-CD1 3.8Å; W97-F225 HydrophobicContact CE3-CD1 3.8Å; W97-F225 HydrophobicContact CG-CB 4.24Å; W97-F225 HydrophobicContact CZ3-CD1 4.15Å; W97-L228 HydrophobicContact CH2-CD1 4.07Å; W97-L228 HydrophobicContact CZ2-CD1 4.13Å; W97-M240 HydrophobicContact CH2-CG 4.13Å; W97-M240 HydrophobicContact CH2-SD 3.45Å; W97-M240 WeakPolarHBondContact CH2-SD 3.26Å; W97-M240 HydrophobicContact CZ2-CB 4.08Å; W97-M240 HydrophobicContact CZ2-CG 3.46Å; W97-M240 VanDerWaalsContact CZ2-CG 3.46Å; W97-M240 HydrophobicContact CZ2-SD 3.37Å; W97-M240 WeakPolarHBondContact CZ2-SD 3.45Å; W97-M240 PolarHBondContact NE1-O 2.82Å; W97-D242 WeakPolarHBondContact O-CA 3.31Å; W97-D242 PolarHBondContact O-N 2.94Å; W97-D242 VanDerWaalsContact O-N 3.07Å; W97-N243 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N243 PolarHBondContact N-OD1 2.89Å; W97-N243 PolarHBondContact O-N 3.11Å; W97-N243 PolarHBondContact O-OD1 2.99Å |
| 98 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -100.1 | 169.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S100 R103 P115 R226 D242 | G98-S100 PolarHBondContact O-N 3.11Å; G98-R103 VanDerWaalsContact CA-O 3.28Å; G98-R103 WeakPolarHBondContact CA-O 3.06Å; G98-R103 PolarHBondContact N-O 2.96Å; G98-P115 PolarHBondContact N-O 2.77Å; G98-R226 PolarHBondContact O-NE 2.89Å; G98-D242 VanDerWaalsContact CA-OD1 3.28Å; G98-D242 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 99 | G | 98.3 | Very high | 98.6 | Very high | 30 Ų | 30 | 24 Ų | 24 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -69.7 | -12.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D242 | G99-D242 PolarHBondContact N-OD1 3.08Š|
| 100 | S | 97.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -142.3 | 167.8 | 179.6 | 55 | 0 | 0 | 0 | 0 | 111.8 | G98 D102 R103 R226 | G98-S100 PolarHBondContact O-N 3.11Å; S100-D102 VanDerWaalsContact C-N 3.26Å; S100-D102 VanDerWaalsContact CB-OD1 3.29Å; S100-D102 WeakPolarHBondContact CB-OD1 3.46Å; S100-D102 PolarHBondContact O-N 2.85Å; S100-D102 PolarHBondContact OG-OD1 3.47Å; S100-R103 PolarHBondContact OG-NH1 3.12Å; S100-R226 PolarHBondContact O-NH2 3.06Å |
| 101 | D | 98.4 | Very high | 98.5 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.2 | -170.8 | -79.9 | 3.6 | 0 | 0 | 0 | 114.5 | P115 I149 R226 | D101-P115 WeakPolarHBondContact O-CB 3.42Å; D101-P115 WeakPolarHBondContact O-CD 3.42Å; D101-I149 HydrophobicContact CB-CD1 3.97Å; D101-I149 HydrophobicContact CB-CG1 3.72Å; D101-I149 VanDerWaalsContact CG-CD1 3.48Å; D101-R226 IonicContact OD1-CZ 3.89Å; D101-R226 IonicContact OD1-NH1 2.83Å; D101-R226 PolarHBondContact OD1-NH1 3.34Å; D101-R226 IonicContact OD1-NH2 3.63Å; D101-R226 PolarHBondContact OD1-NH2 2.9Å |
| 102 | D | 97.2 | Very high | 98.5 | Very high | 115 Ų | 115 | 30.3 Ų | 30.3 | 62% | 0.615 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -1.8 | -178.6 | 64.3 | -21.9 | 0 | 0 | 0 | 113.6 | S100 | S100-D102 VanDerWaalsContact C-N 3.26Å; S100-D102 VanDerWaalsContact CB-OD1 3.29Å; S100-D102 WeakPolarHBondContact CB-OD1 3.46Å; S100-D102 PolarHBondContact O-N 2.85Å; S100-D102 PolarHBondContact OG-OD1 3.47Å |
| 103 | R | 97.7 | Very high | 98.5 | Very high | 84 Ų | 84 | 33.1 Ų | 33.1 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | trans | -150.6 | 157.1 | 179.7 | 71.5 | -177.2 | -168.2 | -108.4 | 7.2 | 112.1 | G98 S100 K113 F114 P115 D242 F244 | G98-R103 VanDerWaalsContact CA-O 3.28Å; G98-R103 WeakPolarHBondContact CA-O 3.06Å; G98-R103 PolarHBondContact N-O 2.96Å; S100-R103 PolarHBondContact OG-NH1 3.12Å; R103-K113 HydrophobicContact CB-CD 4.08Å; R103-F114 CarbonylContact C-O 3.55Å; R103-P115 CarbonylContact O-C 3.35Å; R103-P115 WeakPolarHBondContact O-CA 3.49Å; R103-D242 IonicContact CZ-OD1 3.7Å; R103-D242 IonicContact CZ-OD2 3.56Å; R103-D242 IonicContact NE-OD1 2.69Å; R103-D242 PolarHBondContact NE-OD1 3.32Å; R103-D242 IonicContact NE-OD2 2.57Å; R103-D242 IonicContact NH2-OD1 3.22Å; R103-D242 PolarHBondContact NH2-OD1 3.11Å; R103-D242 IonicContact NH2-OD2 2.75Å; R103-D242 PolarHBondContact NH2-OD2 2.95Å; R103-F244 HydrophobicContact CG-CE1 4.43Å; R103-F244 HydrophobicContact CG-CZ 4.43Å | ||
| 104 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 146.5 | -25.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | H96 W97 F114 P115 F244 | H96-G104 CarbonylContact C-O 3.41Å; W97-G104 PolarHBondContact N-O 3.35Å; G104-F114 CarbonylContact C-O 3.56Å; G104-F114 WeakPolarHBondContact CA-O 3.38Å; G104-F114 PolarHBondContact N-O 3.12Å; G104-P115 WeakPolarHBondContact CA-O 3.36Å; G104-F244 WeakPolarHBondContact O-CB 3.47Å | ||
| 105 | S | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | trans | -68.1 | 148.9 | 168.5 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | H107 F114 E117 | S105-H107 WeakPolarHBondContact CB-O 3.42Å; S105-H107 PolarHBondContact OG-O 2.69Å; S105-F114 PolarHBondContact N-O 3.41Å; S105-F114 PolarHBondContact OG-N 2.84Å; S105-E117 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 106 | E | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -85 | -52 | 177.4 | -81.9 | -158.8 | 132.9 | 0 | 0 | 109.9 | P30 H96 E117 H119 T198 F244 R245 | P30-E106 HydrophobicContact CB-CB 3.77Å; P30-E106 WeakPolarHBondContact CB-O 3.11Å; P30-E106 VanDerWaalsContact CG-C 3.49Å; P30-E106 HydrophobicContact CG-CB 3.69Å; P30-E106 HydrophobicContact CG-CG 4.43Å; P30-E106 WeakPolarHBondContact CG-O 3.16Å; H96-E106 HydrophobicContact CB-CG 3.99Å; H96-E106 IonicContact CD2-OE2 2.97Å; H96-E106 IonicContact CE1-OE1 2.86Å; H96-E106 IonicContact CE1-OE2 3.82Å; H96-E106 IonicContact CG-OE2 2.95Å; H96-E106 IonicContact ND1-OE1 3.3Å; H96-E106 IonicContact ND1-OE2 3.55Å; H96-E106 IonicContact NE2-OE2 3.55Å; H96-E106 PolarHBondContact NE2-OE2 2.89Å; E106-E117 PolarHBondContact N-OE2 2.91Å; E106-H119 IonicContact OE2-CE1 3.57Å; E106-H119 PolarHBondContact OE2-CE1 3.36Å; E106-T198 WeakPolarHBondContact OE1-CB 3.23Å; E106-T198 WeakPolarHBondContact OE2-CB 2.96Å; E106-T198 WeakPolarHBondContact OE2-CG2 3.44Å; E106-T198 PolarHBondContact OE2-OG1 3.41Å; E106-F244 HydrophobicContact CG-CB 3.62Å; E106-R245 WeakPolarHBondContact OE1-CB 3.28Å; E106-R245 PolarHBondContact OE1-N 2.96Å |
| 107 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -70 | 155.3 | 168.5 | -66.3 | 89.1 | 0 | 0 | 0 | 110.6 | S105 E117 F146 Y193 W208 | S105-H107 WeakPolarHBondContact CB-O 3.42Å; S105-H107 PolarHBondContact OG-O 2.69Å; H107-E117 IonicContact CE1-OE1 2.75Å; H107-E117 IonicContact CG-OE1 2.71Å; H107-E117 PolarHBondContact N-OE2 3Å; H107-E117 IonicContact ND1-OE1 3.2Å; H107-E117 PolarHBondContact ND1-OE1 3.34Å; H107-E117 IonicContact ND1-OE2 3.66Å; H107-F146 HydrophobicContact CB-CE1 3.77Å; H107-F146 HydrophobicContact CB-CZ 3.56Å; H107-F146 WeakPolarHBondContact O-CE1 3.4Å; H107-Y193 AromaticContact NE2-CE1 3.48Å; H107-Y193 WeakPolarHBondContact NE2-CE1 3.48Å; H107-Y193 AromaticContact NE2-CZ 3.47Å; H107-Y193 PolarHBondContact NE2-OH 3.06Å; H107-W208 AromaticContact CE1-CD2 3.7Å; H107-W208 AromaticContact CE1-CE2 3.99Å; H107-W208 AromaticContact CE1-CE3 3.43Å; H107-W208 VanDerWaalsContact CE1-CE3 3.43Å; H107-W208 AromaticContact CE1-CH2 3.85Å; H107-W208 AromaticContact CE1-CZ3 3.5Å |
| 108 | T | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.6 | 170.9 | 51.2 | 0 | 0 | 0 | 0 | 109.8 | I31 N32 I33 I112 K113 P247 | I31-T108 PolarHBondContact O-N 2.75Å; N32-T108 VanDerWaalsContact CA-OG1 3.29Å; N32-T108 WeakPolarHBondContact CA-OG1 3.46Å; N32-T108 VanDerWaalsContact CB-OG1 3.3Å; N32-T108 WeakPolarHBondContact CB-OG1 3.38Å; N32-T108 PolarHBondContact OD1-O 3.26Å; N32-T108 PolarHBondContact OD1-OG1 2.74Å; N32-T108 VanDerWaalsContact OD1-OG1 3.13Å; I33-T108 PolarHBondContact N-O 2.66Å; T108-I112 VanDerWaalsContact CA-O 3.26Å; T108-I112 WeakPolarHBondContact CA-O 3.33Å; T108-I112 VanDerWaalsContact CB-O 3.31Å; T108-I112 WeakPolarHBondContact CB-O 3.4Å; T108-K113 HydrophobicContact CG2-CB 4.46Å; T108-K113 HydrophobicContact CG2-CG 3.5Å; T108-P247 HydrophobicContact CG2-CG 4.18Å |
| 109 | I | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.8 | 174.5 | -59.9 | 173.3 | 0 | 0 | 0 | 107.4 | I33 T35 G111 I112 F114 F146 W191 | I33-I109 WeakPolarHBondContact O-CA 3.17Å; T35-I109 HydrophobicContact CG2-CG2 3.55Å; I109-G111 PolarHBondContact O-N 2.95Å; I109-I112 PolarHBondContact N-O 2.65Å; I109-I112 VanDerWaalsContact O-CB 3.29Å; I109-I112 WeakPolarHBondContact O-CB 3.33Å; I109-I112 PolarHBondContact O-N 3.36Å; I109-F114 HydrophobicContact CD1-CE2 4Å; I109-F114 HydrophobicContact CD1-CZ 4.29Å; I109-F114 HydrophobicContact CG1-CE2 4.39Å; I109-F146 HydrophobicContact CD1-CD2 4.03Å; I109-F146 HydrophobicContact CD1-CE2 3.58Å; I109-F146 HydrophobicContact CD1-CZ 4.24Å; I109-F146 HydrophobicContact CG1-CE2 3.89Å; I109-F146 HydrophobicContact CG1-CZ 4.07Å; I109-W191 HydrophobicContact CD1-CH2 3.76Å; I109-W191 HydrophobicContact CD1-CZ3 3.64Å; I109-W191 HydrophobicContact CG1-CH2 4.28Å; I109-W191 HydrophobicContact CG1-CZ3 4.16Å; I109-W191 HydrophobicContact CG2-CH2 4.31Å |
| 110 | N | 98.6 | Very high | 98.6 | Very high | 80 Ų | 80 | 32.5 Ų | 32.5 | 43% | 0.428 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.5 | -173.9 | -60.4 | -38.1 | 0 | 0 | 0 | 112.7 | N32 I33 V34 T35 I112 | N32-N110 PolarHBondContact OD1-N 3.08Å; I33-N110 PolarHBondContact O-N 2.86Å; V34-N110 WeakPolarHBondContact CA-OD1 3.43Å; T35-N110 PolarHBondContact N-OD1 3.14Å; T35-N110 PolarHBondContact OG1-ND2 2.89Å; T35-N110 PolarHBondContact OG1-OD1 3.4Å; N110-I112 PolarHBondContact O-N 3.24Å |
| 111 | G | 98.3 | Very high | 98.6 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 46% | 0.464 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -5.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N32 I109 | N32-G111 PolarHBondContact OD1-N 3.44Å; I109-G111 PolarHBondContact O-N 2.95Å |
| 112 | I | 98.4 | Very high | 98.6 | Very high | 108 Ų | 108 | 28.4 Ų | 28.4 | 55% | 0.554 | 15% | 0.15 | S | C | * | . | B | Isolated β-bridge | trans | -78.9 | 129.8 | 177.1 | -55.1 | -57.9 | 0 | 0 | 0 | 110.2 | T108 I109 N110 | T108-I112 VanDerWaalsContact CA-O 3.26Å; T108-I112 WeakPolarHBondContact CA-O 3.33Å; T108-I112 VanDerWaalsContact CB-O 3.31Å; T108-I112 WeakPolarHBondContact CB-O 3.4Å; I109-I112 PolarHBondContact N-O 2.65Å; I109-I112 VanDerWaalsContact O-CB 3.29Å; I109-I112 WeakPolarHBondContact O-CB 3.33Å; I109-I112 PolarHBondContact O-N 3.36Å; N110-I112 PolarHBondContact O-N 3.24Å |
| 113 | K | 98.5 | Very high | 98.7 | Very high | 87 Ų | 87 | 23.5 Ų | 23.5 | 38% | 0.378 | 12% | 0.123 | S | C | . | . | trans | -96.2 | 158.5 | 174.6 | -67.8 | 177.7 | 180 | -174.3 | 0 | 111.1 | R103 T108 | R103-K113 HydrophobicContact CB-CD 4.08Å; T108-K113 HydrophobicContact CG2-CB 4.46Å; T108-K113 HydrophobicContact CG2-CG 3.5Å | ||
| 114 | F | 98.8 | Very high | 98.8 | Very high | 34 Ų | 34 | 19.6 Ų | 19.6 | 15% | 0.149 | 11% | 0.108 | C | C | . | . | trans | -117.3 | 159 | 172.2 | -68.5 | -95.3 | 0 | 0 | 0 | 109.5 | R103 G104 S105 I109 C116 F146 L147 K148 P214 | R103-F114 CarbonylContact C-O 3.55Å; G104-F114 CarbonylContact C-O 3.56Å; G104-F114 WeakPolarHBondContact CA-O 3.38Å; G104-F114 PolarHBondContact N-O 3.12Å; S105-F114 PolarHBondContact N-O 3.41Å; S105-F114 PolarHBondContact OG-N 2.84Å; I109-F114 HydrophobicContact CD1-CE2 4Å; I109-F114 HydrophobicContact CD1-CZ 4.29Å; I109-F114 HydrophobicContact CG1-CE2 4.39Å; F114-C116 PolarHBondContact O-N 3.43Å; F114-F146 HydrophobicContact CB-CB 4.28Å; F114-F146 HydrophobicContact CB-CD1 4.08Å; F114-F146 HydrophobicContact CD1-CB 3.97Å; F114-F146 HydrophobicContact CD2-CB 3.98Å; F114-F146 AromaticContact CD2-CD1 3.39Å; F114-F146 HydrophobicContact CD2-CD1 3.39Å; F114-F146 HydrophobicContact CD2-CD2 4.37Å; F114-F146 AromaticContact CD2-CE1 3.9Å; F114-F146 HydrophobicContact CD2-CE1 3.9Å; F114-F146 AromaticContact CD2-CG 3.65Å; F114-F146 HydrophobicContact CD2-CG 3.65Å; F114-F146 HydrophobicContact CE1-CB 4.28Å; F114-F146 HydrophobicContact CE2-CB 4.3Å; F114-F146 HydrophobicContact CE2-CD1 4Å; F114-F146 HydrophobicContact CE2-CD2 4.18Å; F114-F146 HydrophobicContact CE2-CE1 4.36Å; F114-F146 AromaticContact CE2-CG 3.89Å; F114-F146 HydrophobicContact CE2-CG 3.89Å; F114-F146 HydrophobicContact CG-CB 3.81Å; F114-F146 AromaticContact CG-CD1 3.86Å; F114-F146 HydrophobicContact CG-CD1 3.86Å; F114-F146 HydrophobicContact CG-CG 4Å; F114-F146 HydrophobicContact CZ-CB 4.44Å; F114-F146 HydrophobicContact CZ-CG 4.42Å; F114-L147 WeakPolarHBondContact CB-O 3.09Å; F114-K148 HydrophobicContact CD1-CB 3.97Å; F114-K148 HydrophobicContact CE1-CB 4.22Å; F114-P214 HydrophobicContact CE1-CB 4.18Å; F114-P214 HydrophobicContact CE1-CG 4.27Å | ||
| 115 | P | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.032 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -62.6 | -24.6 | 179.4 | 22.7 | -36.3 | 0 | 0 | 0 | 114.5 | W97 G98 D101 R103 G104 L147 I149 V217 M222 | W97-P115 WeakPolarHBondContact CA-O 3.4Å; G98-P115 PolarHBondContact N-O 2.77Å; D101-P115 WeakPolarHBondContact O-CB 3.42Å; D101-P115 WeakPolarHBondContact O-CD 3.42Å; R103-P115 CarbonylContact O-C 3.35Å; R103-P115 WeakPolarHBondContact O-CA 3.49Å; G104-P115 WeakPolarHBondContact CA-O 3.36Å; P115-L147 WeakPolarHBondContact CD-O 3.5Å; P115-L147 WeakPolarHBondContact CG-O 3.34Å; P115-I149 HydrophobicContact CB-CD1 4.14Å; P115-I149 HydrophobicContact CB-CG1 4.5Å; P115-I149 HydrophobicContact CG-CD1 3.88Å; P115-I149 HydrophobicContact CG-CG1 4.03Å; P115-V217 HydrophobicContact CG-CG1 4.49Å; P115-M222 HydrophobicContact CB-CE 4.28Å; P115-M222 HydrophobicContact CB-SD 4.43Å |
| 116 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 154.5 | -174.7 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | H96 W97 F114 L147 M222 | H96-C116 CarbonylContact O-C 3.25Å; H96-C116 WeakPolarHBondContact O-CA 3.37Å; H96-C116 PolarHBondContact O-SG 2.86Å; W97-C116 HydrophobicContact CB-CB 4Å; F114-C116 PolarHBondContact O-N 3.43Å; C116-L147 HydrophobicContact CB-CB 3.96Å; C116-L147 HydrophobicContact CB-CD1 4.29Å; C116-L147 HydrophobicContact CB-CD2 4.18Å; C116-L147 HydrophobicContact CB-CG 4.35Å; C116-L147 PolarHBondContact O-N 3.25Å; C116-M222 HydrophobicContact CB-CE 3.79Å; C116-M222 HydrophobicContact CB-SD 3.89Å |
| 117 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 128.1 | 174.6 | -169 | 177.5 | 138.8 | 0 | 0 | 110.1 | F95 H96 S105 E106 H107 H119 I145 F146 | F95-E117 CarbonylContact C-O 3.43Å; F95-E117 VanDerWaalsContact CA-O 3.29Å; F95-E117 WeakPolarHBondContact CA-O 3.08Å; H96-E117 PolarHBondContact N-O 2.49Å; H96-E117 PolarHBondContact O-N 3.33Å; S105-E117 WeakPolarHBondContact CB-OE2 3.47Å; E106-E117 PolarHBondContact N-OE2 2.91Å; H107-E117 IonicContact CE1-OE1 2.75Å; H107-E117 IonicContact CG-OE1 2.71Å; H107-E117 PolarHBondContact N-OE2 3Å; H107-E117 IonicContact ND1-OE1 3.2Å; H107-E117 PolarHBondContact ND1-OE1 3.34Å; H107-E117 IonicContact ND1-OE2 3.66Å; E117-H119 IonicContact OE1-CD2 3.75Å; E117-H119 IonicContact OE1-CE1 2.88Å; E117-H119 IonicContact OE1-NE2 2.85Å; E117-H119 PolarHBondContact OE1-NE2 2.78Å; E117-I145 WeakPolarHBondContact CA-O 3.35Å; E117-F146 HydrophobicContact CG-CD1 4.28Å; E117-F146 HydrophobicContact CG-CE1 4.45Å; E117-F146 WeakPolarHBondContact OE2-CE1 3.3Å |
| 118 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.2 | 174.9 | 165.4 | 59.3 | 0 | 0 | 0 | 109.8 | F93 H94 F95 L120 G144 I145 L147 L183 | F93-L118 HydrophobicContact CB-CD1 3.88Å; F93-L118 HydrophobicContact CD2-CD1 3.84Å; F93-L118 HydrophobicContact CG-CD1 4.11Å; H94-L118 WeakPolarHBondContact O-CD1 3.38Å; F95-L118 HydrophobicContact CD1-CB 3.67Å; F95-L118 HydrophobicContact CD1-CD1 4.14Å; F95-L118 HydrophobicContact CD1-CG 4.44Å; F95-L118 HydrophobicContact CD2-CD1 4.17Å; F95-L118 HydrophobicContact CE1-CB 3.56Å; F95-L118 HydrophobicContact CE1-CD1 3.83Å; F95-L118 HydrophobicContact CE1-CD2 4.13Å; F95-L118 HydrophobicContact CE1-CG 4.04Å; F95-L118 HydrophobicContact CE2-CD1 3.83Å; F95-L118 HydrophobicContact CG-CB 4.49Å; F95-L118 HydrophobicContact CG-CD1 4.33Å; F95-L118 HydrophobicContact CZ-CB 4.27Å; F95-L118 HydrophobicContact CZ-CD1 3.66Å; F95-L118 HydrophobicContact CZ-CD2 4.19Å; F95-L118 HydrophobicContact CZ-CG 4.26Å; L118-L120 HydrophobicContact CD1-CD2 4.06Å; L118-L120 HydrophobicContact CD2-CD2 4.26Å; L118-L120 HydrophobicContact CG-CD2 4.28Å; L118-L120 HydrophobicContact CG-CG 4.47Å; L118-G144 CarbonylContact O-C 3.49Å; L118-G144 WeakPolarHBondContact O-CA 3.31Å; L118-I145 HydrophobicContact CB-CB 4.19Å; L118-I145 HydrophobicContact CD2-CB 4.45Å; L118-I145 HydrophobicContact CD2-CD1 3.88Å; L118-I145 HydrophobicContact CG-CD1 4.39Å; L118-I145 PolarHBondContact N-O 3.09Å; L118-I145 PolarHBondContact O-N 3Å; L118-L147 HydrophobicContact CB-CD1 4.02Å; L118-L183 HydrophobicContact CD2-CB 3.65Å; L118-L183 HydrophobicContact CD2-CD1 3.85Å; L118-L183 HydrophobicContact CD2-CG 4.36Å |
| 119 | H | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.1 | 170.3 | -65.4 | 168.7 | 0 | 0 | 0 | 111.1 | F93 H94 H96 E106 E117 V121 V142 W208 | F93-H119 WeakPolarHBondContact CA-O 3.37Å; F93-H119 VanDerWaalsContact CB-O 3.28Å; F93-H119 WeakPolarHBondContact CB-O 3.48Å; H94-H119 PolarHBondContact N-O 3.15Å; H94-H119 VanDerWaalsContact N-O 3.12Å; H94-H119 AromaticContact NE2-ND1 3.61Å; H94-H119 PolarHBondContact O-N 2.85Å; H96-H119 AromaticContact CD2-CE1 3.38Å; H96-H119 PolarHBondContact CD2-CE1 3.23Å; H96-H119 AromaticContact CD2-ND1 3.55Å; H96-H119 AromaticContact NE2-CE1 3.6Å; H96-H119 AromaticContact NE2-ND1 3.54Å; E106-H119 IonicContact OE2-CE1 3.57Å; E106-H119 PolarHBondContact OE2-CE1 3.36Å; E117-H119 IonicContact OE1-CD2 3.75Å; E117-H119 IonicContact OE1-CE1 2.88Å; E117-H119 IonicContact OE1-NE2 2.85Å; E117-H119 PolarHBondContact OE1-NE2 2.78Å; H119-V121 HydrophobicContact CB-CG2 4.45Å; H119-V142 HydrophobicContact CB-CG1 3.72Å; H119-W208 AromaticContact CD2-CH2 3.76Å; H119-W208 AromaticContact CD2-CZ3 3.71Å; H119-W208 AromaticContact CE1-CH2 3.39Å; H119-W208 WeakPolarHBondContact CE1-CH2 3.35Å; H119-W208 AromaticContact CG-CH2 3.92Å; H119-W208 AromaticContact ND1-CH2 3.67Å; H119-W208 AromaticContact NE2-CH2 3.43Å; H119-W208 WeakPolarHBondContact NE2-CH2 3.46Å; H119-W208 AromaticContact NE2-CZ3 3.61Å |
| 120 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109.5 | 166.8 | -52.4 | 174.1 | 0 | 0 | 0 | 108.4 | Y51 L90 F93 L118 H122 V142 V143 I145 A180 L184 | Y51-L120 HydrophobicContact CE2-CD1 4.23Å; L90-L120 HydrophobicContact CD1-CB 4.24Å; F93-L120 HydrophobicContact CB-CD2 3.46Å; F93-L120 VanDerWaalsContact CB-CD2 3.46Å; F93-L120 HydrophobicContact CD1-CD2 4.15Å; F93-L120 HydrophobicContact CG-CD2 4Å; L118-L120 HydrophobicContact CD1-CD2 4.06Å; L118-L120 HydrophobicContact CD2-CD2 4.26Å; L118-L120 HydrophobicContact CG-CD2 4.28Å; L118-L120 HydrophobicContact CG-CG 4.47Å; L120-H122 PolarHBondContact O-CE1 2.93Å; L120-H122 PolarHBondContact O-ND1 2.75Å; L120-V142 WeakPolarHBondContact O-CA 3.16Å; L120-V143 HydrophobicContact CB-CB 4.2Å; L120-V143 HydrophobicContact CD1-CB 4.33Å; L120-V143 HydrophobicContact CD1-CG1 4.45Å; L120-V143 PolarHBondContact N-O 2.87Å; L120-V143 PolarHBondContact O-N 2.83Å; L120-I145 HydrophobicContact CD1-CD1 4.17Å; L120-A180 HydrophobicContact CD2-CB 4.34Å; L120-L184 HydrophobicContact CD1-CD2 3.98Å |
| 121 | V | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125 | -172.5 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | K91 Q92 H119 F130 V142 | K91-V121 PolarHBondContact N-O 3.22Å; Q92-V121 HydrophobicContact CG-CB 4.22Å; Q92-V121 PolarHBondContact O-N 2.73Å; H119-V121 HydrophobicContact CB-CG2 4.45Å; V121-F130 HydrophobicContact CG1-CE2 4.03Å; V121-V142 HydrophobicContact CB-CG2 4.5Å; V121-V142 HydrophobicContact CG1-CG2 4.31Å; V121-V142 HydrophobicContact CG2-CG2 4.15Å |
| 122 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.1 | 177.9 | -46.5 | 72.2 | 0 | 0 | 0 | 111.3 | Y51 R89 L120 L140 A141 | Y51-H122 AromaticContact CE1-NE2 3.53Å; Y51-H122 AromaticContact CZ-NE2 3.53Å; Y51-H122 PolarHBondContact OH-CE1 2.71Å; Y51-H122 PolarHBondContact OH-NE2 3.04Å; R89-H122 CarbonylContact O-C 3.08Å; R89-H122 WeakPolarHBondContact O-CA 3.12Å; R89-H122 WeakPolarHBondContact O-CB 3.4Å; L120-H122 PolarHBondContact O-CE1 2.93Å; L120-H122 PolarHBondContact O-ND1 2.75Å; H122-L140 VanDerWaalsContact O-CA 3.28Å; H122-L140 WeakPolarHBondContact O-CA 3.46Å; H122-A141 WeakPolarHBondContact CA-O 3.39Å; H122-A141 WeakPolarHBondContact CB-O 3.44Å; H122-A141 PolarHBondContact N-O 3.08Å; H122-A141 PolarHBondContact ND1-O 2.9Å; H122-A141 PolarHBondContact O-N 3.45Å |
| 123 | W | 98.9 | Very high | 98.4 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.6 | 176.6 | 65.9 | -83.1 | 0 | 0 | 0 | 112.3 | D72 Y88 R89 T125 Y127 F130 A133 G139 L140 | D72-W123 HydrophobicContact CB-CZ2 4.46Å; D72-W123 PolarHBondContact OD2-NE1 3.26Å; Y88-W123 CarbonylContact C-O 3.52Å; Y88-W123 WeakPolarHBondContact CA-O 3.48Å; R89-W123 HydrophobicContact CB-CZ2 4.41Å; R89-W123 PolarHBondContact N-O 3.39Å; R89-W123 PolarHBondContact O-N 3.02Å; W123-T125 PolarHBondContact O-N 3.26Å; W123-Y127 WeakPolarHBondContact CZ3-O 3.43Å; W123-F130 HydrophobicContact CB-CD2 3.74Å; W123-F130 HydrophobicContact CB-CE2 4.45Å; W123-F130 AromaticContact CD1-CD2 3.85Å; W123-F130 HydrophobicContact CD2-CB 4.38Å; W123-F130 HydrophobicContact CG-CB 4.11Å; W123-F130 AromaticContact CG-CD2 3.92Å; W123-F130 HydrophobicContact CG-CD2 3.92Å; W123-A133 HydrophobicContact CB-CB 4.12Å; W123-A133 HydrophobicContact CE3-CB 4.31Å; W123-G139 CarbonylContact C-O 3.11Å; W123-G139 WeakPolarHBondContact CA-O 3.22Å; W123-L140 HydrophobicContact CB-CD2 3.72Å |
| 124 | N | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 121 | -173.5 | -165.7 | -26.3 | 0 | 0 | 0 | 111.5 | Y88 K126 Y127 D138 G139 | Y88-N124 HydrophobicContact CD1-CB 3.87Å; Y88-N124 HydrophobicContact CD2-CB 4.3Å; Y88-N124 HydrophobicContact CE1-CB 3.49Å; Y88-N124 VanDerWaalsContact CE1-CB 3.49Å; Y88-N124 HydrophobicContact CE2-CB 3.97Å; Y88-N124 HydrophobicContact CG-CB 4.27Å; Y88-N124 VanDerWaalsContact CZ-ND2 3.28Å; Y88-N124 PolarHBondContact OH-ND2 3.5Å; N124-K126 HydrophobicContact CB-CG 4.33Å; N124-K126 WeakPolarHBondContact ND2-CD 3.5Å; N124-K126 WeakPolarHBondContact ND2-CE 3.14Å; N124-K126 PolarHBondContact O-N 3.01Å; N124-K126 VanDerWaalsContact O-N 3.12Å; N124-K126 WeakPolarHBondContact OD1-CB 3.1Å; N124-K126 VanDerWaalsContact OD1-CG 3.31Å; N124-K126 WeakPolarHBondContact OD1-CG 3.3Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.11Å; N124-Y127 HydrophobicContact CB-CD2 4.04Å; N124-Y127 HydrophobicContact CB-CE2 4.37Å; N124-Y127 PolarHBondContact O-N 2.9Å; N124-Y127 VanDerWaalsContact O-N 3.11Å; N124-D138 PolarHBondContact ND2-O 2.89Å; N124-G139 WeakPolarHBondContact CB-O 3.45Å; N124-G139 PolarHBondContact N-O 2.76Å |
| 125 | T | 98.6 | Very high | 98.2 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -5.8 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | T87 R89 W123 Y127 | T87-T125 HydrophobicContact CG2-CG2 4.3Å; T87-T125 PolarHBondContact O-N 2.95Å; T87-T125 PolarHBondContact O-OG1 3.01Å; T87-T125 VanDerWaalsContact O-OG1 3.11Å; R89-T125 HydrophobicContact CB-CG2 4.38Å; R89-T125 HydrophobicContact CG-CG2 3.52Å; W123-T125 PolarHBondContact O-N 3.26Å; T125-Y127 PolarHBondContact O-N 3.03Å |
| 126 | K | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 36.1 Ų | 36.1 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.3 | 168.9 | 82.3 | -177 | -176.7 | 164.9 | 0 | 112.7 | N124 D138 | N124-K126 HydrophobicContact CB-CG 4.33Å; N124-K126 WeakPolarHBondContact ND2-CD 3.5Å; N124-K126 WeakPolarHBondContact ND2-CE 3.14Å; N124-K126 PolarHBondContact O-N 3.01Å; N124-K126 VanDerWaalsContact O-N 3.12Å; N124-K126 WeakPolarHBondContact OD1-CB 3.1Å; N124-K126 VanDerWaalsContact OD1-CG 3.31Å; N124-K126 WeakPolarHBondContact OD1-CG 3.3Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.11Å; K126-D138 WeakPolarHBondContact CE-OD1 3.34Å; K126-D138 WeakPolarHBondContact CE-OD2 3.28Å; K126-D138 IonicContact NZ-OD1 3.76Å; K126-D138 PolarHBondContact NZ-OD1 3.42Å; K126-D138 IonicContact NZ-OD2 3.5Å; K126-D138 PolarHBondContact NZ-OD2 3.07Å |
| 127 | Y | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -95.7 | 155.2 | 173.5 | -61.6 | -61.8 | 0 | 0 | 0 | 110.3 | W123 N124 T125 S129 A133 K136 D138 | W123-Y127 WeakPolarHBondContact CZ3-O 3.43Å; N124-Y127 HydrophobicContact CB-CD2 4.04Å; N124-Y127 HydrophobicContact CB-CE2 4.37Å; N124-Y127 PolarHBondContact O-N 2.9Å; N124-Y127 VanDerWaalsContact O-N 3.11Å; T125-Y127 PolarHBondContact O-N 3.03Å; Y127-S129 VanDerWaalsContact C-N 3.32Å; Y127-S129 PolarHBondContact O-N 3.43Å; Y127-A133 HydrophobicContact CD2-CB 3.72Å; Y127-A133 HydrophobicContact CG-CB 4.14Å; Y127-K136 HydrophobicContact CD1-CG 3.99Å; Y127-K136 HydrophobicContact CD2-CB 4.26Å; Y127-K136 HydrophobicContact CD2-CG 4.19Å; Y127-K136 HydrophobicContact CE1-CB 4.03Å; Y127-K136 HydrophobicContact CE1-CD 3.92Å; Y127-K136 HydrophobicContact CE1-CG 3.5Å; Y127-K136 HydrophobicContact CE2-CB 3.43Å; Y127-K136 VanDerWaalsContact CE2-CB 3.43Å; Y127-K136 HydrophobicContact CE2-CG 3.71Å; Y127-K136 HydrophobicContact CG-CG 4.32Å; Y127-K136 VanDerWaalsContact OH-CB 3.28Å; Y127-K136 WeakPolarHBondContact OH-CB 3.13Å; Y127-D138 PolarHBondContact OH-OD1 2.9Å; Y127-D138 VanDerWaalsContact OH-OD1 3.08Å |
| 128 | P | 97.3 | Very high | 97.9 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -73.5 | -22 | -174.1 | -17.9 | 32 | 0 | 0 | 0 | 114.4 | E132 | P128-E132 WeakPolarHBondContact CB-OE1 3.29Å; P128-E132 WeakPolarHBondContact CD-OE2 3.3Å; P128-E132 WeakPolarHBondContact CG-OE2 3.2Å |
| 129 | S | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -155.5 | 161.7 | -176.2 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | Y127 G131 E132 A133 | Y127-S129 VanDerWaalsContact C-N 3.32Å; Y127-S129 PolarHBondContact O-N 3.43Å; S129-G131 VanDerWaalsContact C-N 3.25Å; S129-G131 PolarHBondContact O-N 3.32Å; S129-E132 PolarHBondContact O-N 3.07Å; S129-E132 PolarHBondContact OG-N 3.24Å; S129-E132 PolarHBondContact OG-OE1 3.03Å; S129-A133 WeakPolarHBondContact O-CB 3.38Å; S129-A133 PolarHBondContact O-N 2.97Å |
| 130 | F | 97.7 | Very high | 97.9 | Very high | 60 Ų | 60 | 42 Ų | 42 | 26% | 0.263 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -53.6 | -43 | 171.3 | 177.2 | -87.9 | 0 | 0 | 0 | 112.1 | K91 V121 W123 E132 A133 A134 L140 | K91-F130 HydrophobicContact CB-CD2 4.04Å; K91-F130 HydrophobicContact CB-CE2 4.24Å; K91-F130 HydrophobicContact CD-CD2 4.36Å; K91-F130 HydrophobicContact CG-CD2 3.85Å; K91-F130 HydrophobicContact CG-CE2 4.13Å; K91-F130 HydrophobicContact CG-CG 4.38Å; V121-F130 HydrophobicContact CG1-CE2 4.03Å; W123-F130 HydrophobicContact CB-CD2 3.74Å; W123-F130 HydrophobicContact CB-CE2 4.45Å; W123-F130 AromaticContact CD1-CD2 3.85Å; W123-F130 HydrophobicContact CD2-CB 4.38Å; W123-F130 HydrophobicContact CG-CB 4.11Å; W123-F130 AromaticContact CG-CD2 3.92Å; W123-F130 HydrophobicContact CG-CD2 3.92Å; F130-E132 PolarHBondContact O-N 3.26Å; F130-A133 PolarHBondContact O-N 2.87Å; F130-A134 HydrophobicContact CE1-CB 4.34Å; F130-A134 WeakPolarHBondContact O-CB 3.37Å; F130-A134 PolarHBondContact O-N 2.9Å; F130-L140 HydrophobicContact CD2-CD2 4.08Å; F130-L140 HydrophobicContact CE2-CD2 3.67Å; F130-L140 HydrophobicContact CZ-CD2 4.25Å |
| 131 | G | 97.1 | Very high | 97.9 | Very high | 53 Ų | 53 | 42 Ų | 42 | 55% | 0.546 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S129 | S129-G131 VanDerWaalsContact C-N 3.25Å; S129-G131 PolarHBondContact O-N 3.32Å |
| 132 | E | 97.5 | Very high | 97.9 | Very high | 97 Ų | 97 | 42 Ų | 42 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.6 | -36 | 175.3 | -73.7 | 175.5 | -101 | 0 | 0 | 112.5 | P128 S129 F130 K136 | P128-E132 WeakPolarHBondContact CB-OE1 3.29Å; P128-E132 WeakPolarHBondContact CD-OE2 3.3Å; P128-E132 WeakPolarHBondContact CG-OE2 3.2Å; S129-E132 PolarHBondContact O-N 3.07Å; S129-E132 PolarHBondContact OG-N 3.24Å; S129-E132 PolarHBondContact OG-OE1 3.03Å; F130-E132 PolarHBondContact O-N 3.26Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å |
| 133 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W123 Y127 S129 F130 D135 K136 G139 L140 | W123-A133 HydrophobicContact CB-CB 4.12Å; W123-A133 HydrophobicContact CE3-CB 4.31Å; Y127-A133 HydrophobicContact CD2-CB 3.72Å; Y127-A133 HydrophobicContact CG-CB 4.14Å; S129-A133 WeakPolarHBondContact O-CB 3.38Å; S129-A133 PolarHBondContact O-N 2.97Å; F130-A133 PolarHBondContact O-N 2.87Å; A133-D135 PolarHBondContact O-N 2.85Å; A133-K136 WeakPolarHBondContact O-CB 3.44Å; A133-K136 PolarHBondContact O-N 3.17Å; A133-G139 VanDerWaalsContact O-CA 3.23Å; A133-G139 WeakPolarHBondContact O-CA 3.41Å; A133-L140 HydrophobicContact CB-CD2 4.5Å |
| 134 | A | 96.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F130 L140 L203 S205 | F130-A134 HydrophobicContact CE1-CB 4.34Å; F130-A134 WeakPolarHBondContact O-CB 3.37Å; F130-A134 PolarHBondContact O-N 2.9Å; A134-L140 HydrophobicContact CB-CD1 4.23Å; A134-L203 HydrophobicContact CB-CD1 4.12Å; A134-L203 WeakPolarHBondContact O-CB 3.46Å; A134-L203 WeakPolarHBondContact O-CD1 3.38Å; A134-S205 WeakPolarHBondContact O-CB 3.45Å; A134-S205 PolarHBondContact O-OG 2.67Å |
| 135 | D | 94.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 41.3 Ų | 41.3 | 57% | 0.567 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 11.4 | 176.7 | -175.2 | 50.6 | 0 | 0 | 0 | 113.5 | A133 | A133-D135 PolarHBondContact O-N 2.85Š|
| 136 | K | 98.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -115.6 | 141.9 | -174.1 | -54.3 | -66.1 | 173.1 | -141.3 | 0 | 111.2 | Y127 E132 A133 D138 G139 S205 | Y127-K136 HydrophobicContact CD1-CG 3.99Å; Y127-K136 HydrophobicContact CD2-CB 4.26Å; Y127-K136 HydrophobicContact CD2-CG 4.19Å; Y127-K136 HydrophobicContact CE1-CB 4.03Å; Y127-K136 HydrophobicContact CE1-CD 3.92Å; Y127-K136 HydrophobicContact CE1-CG 3.5Å; Y127-K136 HydrophobicContact CE2-CB 3.43Å; Y127-K136 VanDerWaalsContact CE2-CB 3.43Å; Y127-K136 HydrophobicContact CE2-CG 3.71Å; Y127-K136 HydrophobicContact CG-CG 4.32Å; Y127-K136 VanDerWaalsContact OH-CB 3.28Å; Y127-K136 WeakPolarHBondContact OH-CB 3.13Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; A133-K136 WeakPolarHBondContact O-CB 3.44Å; A133-K136 PolarHBondContact O-N 3.17Å; K136-D138 PolarHBondContact O-N 2.86Å; K136-G139 PolarHBondContact O-N 3.42Å; K136-S205 WeakPolarHBondContact O-CA 3.18Å; K136-S205 WeakPolarHBondContact O-CB 3.4Å |
| 137 | P | 95.8 | Very high | 97.9 | Very high | 78 Ų | 78 | 34 Ų | 34 | 51% | 0.506 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26 | -170.3 | 23.1 | -34.6 | 0 | 0 | 0 | 114.4 | ||
| 138 | D | 97.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 28.7 | 174.5 | 67.5 | -28.8 | 0 | 0 | 0 | 111.5 | Y88 N124 K126 Y127 K136 | Y88-D138 PolarHBondContact OH-O 3.38Å; N124-D138 PolarHBondContact ND2-O 2.89Å; K126-D138 WeakPolarHBondContact CE-OD1 3.34Å; K126-D138 WeakPolarHBondContact CE-OD2 3.28Å; K126-D138 IonicContact NZ-OD1 3.76Å; K126-D138 PolarHBondContact NZ-OD1 3.42Å; K126-D138 IonicContact NZ-OD2 3.5Å; K126-D138 PolarHBondContact NZ-OD2 3.07Å; Y127-D138 PolarHBondContact OH-OD1 2.9Å; Y127-D138 VanDerWaalsContact OH-OD1 3.08Å; K136-D138 PolarHBondContact O-N 2.86Å |
| 139 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -74.6 | -32.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W123 N124 A133 K136 S205 | W123-G139 CarbonylContact C-O 3.11Å; W123-G139 WeakPolarHBondContact CA-O 3.22Å; N124-G139 WeakPolarHBondContact CB-O 3.45Å; N124-G139 PolarHBondContact N-O 2.76Å; A133-G139 VanDerWaalsContact O-CA 3.23Å; A133-G139 WeakPolarHBondContact O-CA 3.41Å; K136-G139 PolarHBondContact O-N 3.42Å; G139-S205 PolarHBondContact N-O 3.27Å |
| 140 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.1 | -175.9 | -55.6 | -179 | 0 | 0 | 0 | 111.2 | H122 W123 F130 A133 A134 L197 S205 V206 T207 | H122-L140 VanDerWaalsContact O-CA 3.28Å; H122-L140 WeakPolarHBondContact O-CA 3.46Å; W123-L140 HydrophobicContact CB-CD2 3.72Å; F130-L140 HydrophobicContact CD2-CD2 4.08Å; F130-L140 HydrophobicContact CE2-CD2 3.67Å; F130-L140 HydrophobicContact CZ-CD2 4.25Å; A133-L140 HydrophobicContact CB-CD2 4.5Å; A134-L140 HydrophobicContact CB-CD1 4.23Å; L140-L197 HydrophobicContact CD1-CD2 3.78Å; L140-L197 HydrophobicContact CD1-CG 4.34Å; L140-S205 PolarHBondContact N-O 3.08Å; L140-V206 HydrophobicContact CB-CG2 4.04Å; L140-V206 HydrophobicContact CD1-CG2 4.14Å; L140-V206 WeakPolarHBondContact O-CA 3.43Å; L140-T207 PolarHBondContact O-N 3.18Å |
| 141 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | L79 I84 Y88 H122 T207 | L79-A141 HydrophobicContact CD2-CB 3.91Å; I84-A141 HydrophobicContact CG2-CB 3.98Å; Y88-A141 HydrophobicContact CD1-CB 3.5Å; Y88-A141 HydrophobicContact CE1-CB 3.75Å; Y88-A141 HydrophobicContact CG-CB 4.11Å; H122-A141 WeakPolarHBondContact CA-O 3.39Å; H122-A141 WeakPolarHBondContact CB-O 3.44Å; H122-A141 PolarHBondContact N-O 3.08Å; H122-A141 PolarHBondContact ND1-O 2.9Å; H122-A141 PolarHBondContact O-N 3.45Å; A141-T207 WeakPolarHBondContact CA-O 3.37Å |
| 142 | V | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.8 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | H119 L120 V121 V206 T207 W208 I209 | H119-V142 HydrophobicContact CB-CG1 3.72Å; L120-V142 WeakPolarHBondContact O-CA 3.16Å; V121-V142 HydrophobicContact CB-CG2 4.5Å; V121-V142 HydrophobicContact CG1-CG2 4.31Å; V121-V142 HydrophobicContact CG2-CG2 4.15Å; V142-V206 HydrophobicContact CB-CG1 3.83Å; V142-V206 HydrophobicContact CG2-CG1 3.53Å; V142-V206 HydrophobicContact CG2-CG2 4.49Å; V142-T207 PolarHBondContact N-O 3.12Å; V142-T207 VanDerWaalsContact N-O 3.15Å; V142-W208 HydrophobicContact CB-CD2 4.38Å; V142-W208 HydrophobicContact CB-CE3 4.07Å; V142-W208 HydrophobicContact CB-CH2 4.06Å; V142-W208 HydrophobicContact CB-CZ2 4.37Å; V142-W208 HydrophobicContact CB-CZ3 3.92Å; V142-W208 HydrophobicContact CG1-CE3 4.03Å; V142-W208 HydrophobicContact CG1-CH2 3.55Å; V142-W208 HydrophobicContact CG1-CZ2 4.31Å; V142-W208 HydrophobicContact CG1-CZ3 3.4Å; V142-W208 VanDerWaalsContact CG1-CZ3 3.4Å; V142-I209 PolarHBondContact O-N 3.2Å |
| 143 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110 | 171.3 | -179 | 0 | 0 | 0 | 0 | 108.2 | L49 L79 L120 I145 I209 L211 | L49-V143 HydrophobicContact CD2-CG2 4.21Å; L79-V143 HydrophobicContact CD2-CG2 3.93Å; L120-V143 HydrophobicContact CB-CB 4.2Å; L120-V143 HydrophobicContact CD1-CB 4.33Å; L120-V143 HydrophobicContact CD1-CG1 4.45Å; L120-V143 PolarHBondContact N-O 2.87Å; L120-V143 PolarHBondContact O-N 2.83Å; V143-I145 HydrophobicContact CG1-CD1 4.34Å; V143-I145 HydrophobicContact CG1-CG1 4.2Å; V143-I209 CarbonylContact C-O 3.56Å; V143-I209 VanDerWaalsContact CA-O 3.27Å; V143-I209 WeakPolarHBondContact CA-O 3.3Å; V143-I209 HydrophobicContact CG2-CB 4.25Å; V143-I209 HydrophobicContact CG2-CD1 4.4Å; V143-I209 HydrophobicContact CG2-CG2 4.32Å; V143-L211 HydrophobicContact CG1-CD1 4.18Å; V143-L211 HydrophobicContact CG1-CD2 4.21Å; V143-L211 HydrophobicContact CG1-CG 3.96Å |
| 144 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L118 I209 L211 | L118-G144 CarbonylContact O-C 3.49Å; L118-G144 WeakPolarHBondContact O-CA 3.31Å; G144-I209 PolarHBondContact N-O 3.34Å; G144-L211 PolarHBondContact O-N 3.06Å |
| 145 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 118.9 | -177.4 | -53.8 | 165.8 | 0 | 0 | 0 | 108.5 | E117 L118 L120 V143 L184 L211 I215 | E117-I145 WeakPolarHBondContact CA-O 3.35Å; L118-I145 HydrophobicContact CB-CB 4.19Å; L118-I145 HydrophobicContact CD2-CB 4.45Å; L118-I145 HydrophobicContact CD2-CD1 3.88Å; L118-I145 HydrophobicContact CG-CD1 4.39Å; L118-I145 PolarHBondContact N-O 3.09Å; L118-I145 PolarHBondContact O-N 3Å; L120-I145 HydrophobicContact CD1-CD1 4.17Å; V143-I145 HydrophobicContact CG1-CD1 4.34Å; V143-I145 HydrophobicContact CG1-CG1 4.2Å; I145-L184 HydrophobicContact CD1-CD2 3.74Å; I145-L211 HydrophobicContact CD1-CD1 4.27Å; I145-L211 HydrophobicContact CG1-CD1 3.9Å; I145-L211 HydrophobicContact CG1-CG 4.15Å; I145-I215 HydrophobicContact CG2-CD1 4.44Å; I145-I215 HydrophobicContact CG2-CG1 4.25Å; I145-I215 HydrophobicContact CG2-CG2 4.04Å |
| 146 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 142.3 | 174.2 | -62.8 | -68.1 | 0 | 0 | 0 | 111.1 | H107 I109 F114 E117 V210 P214 I215 | H107-F146 HydrophobicContact CB-CE1 3.77Å; H107-F146 HydrophobicContact CB-CZ 3.56Å; H107-F146 WeakPolarHBondContact O-CE1 3.4Å; I109-F146 HydrophobicContact CD1-CD2 4.03Å; I109-F146 HydrophobicContact CD1-CE2 3.58Å; I109-F146 HydrophobicContact CD1-CZ 4.24Å; I109-F146 HydrophobicContact CG1-CE2 3.89Å; I109-F146 HydrophobicContact CG1-CZ 4.07Å; F114-F146 HydrophobicContact CB-CB 4.28Å; F114-F146 HydrophobicContact CB-CD1 4.08Å; F114-F146 HydrophobicContact CD1-CB 3.97Å; F114-F146 HydrophobicContact CD2-CB 3.98Å; F114-F146 AromaticContact CD2-CD1 3.39Å; F114-F146 HydrophobicContact CD2-CD1 3.39Å; F114-F146 HydrophobicContact CD2-CD2 4.37Å; F114-F146 AromaticContact CD2-CE1 3.9Å; F114-F146 HydrophobicContact CD2-CE1 3.9Å; F114-F146 AromaticContact CD2-CG 3.65Å; F114-F146 HydrophobicContact CD2-CG 3.65Å; F114-F146 HydrophobicContact CE1-CB 4.28Å; F114-F146 HydrophobicContact CE2-CB 4.3Å; F114-F146 HydrophobicContact CE2-CD1 4Å; F114-F146 HydrophobicContact CE2-CD2 4.18Å; F114-F146 HydrophobicContact CE2-CE1 4.36Å; F114-F146 AromaticContact CE2-CG 3.89Å; F114-F146 HydrophobicContact CE2-CG 3.89Å; F114-F146 HydrophobicContact CG-CB 3.81Å; F114-F146 AromaticContact CG-CD1 3.86Å; F114-F146 HydrophobicContact CG-CD1 3.86Å; F114-F146 HydrophobicContact CG-CG 4Å; F114-F146 HydrophobicContact CZ-CB 4.44Å; F114-F146 HydrophobicContact CZ-CG 4.42Å; E117-F146 HydrophobicContact CG-CD1 4.28Å; E117-F146 HydrophobicContact CG-CE1 4.45Å; E117-F146 WeakPolarHBondContact OE2-CE1 3.3Å; F146-V210 HydrophobicContact CD2-CG1 4.37Å; F146-V210 HydrophobicContact CE2-CG1 3.48Å; F146-V210 VanDerWaalsContact CE2-CG1 3.48Å; F146-V210 HydrophobicContact CZ-CG1 3.8Å; F146-P214 HydrophobicContact CB-CB 3.89Å; F146-P214 CarbonylContact O-C 3.5Å; F146-P214 WeakPolarHBondContact O-CA 3.37Å; F146-P214 WeakPolarHBondContact O-CB 3.4Å; F146-I215 PolarHBondContact O-N 3.33Å |
| 147 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.6 | 167.4 | -71 | 75.1 | 0 | 0 | 0 | 108.1 | F95 F114 P115 C116 L118 L156 I215 V217 | F95-L147 HydrophobicContact CD1-CD1 4.09Å; F95-L147 HydrophobicContact CD1-CD2 4.38Å; F95-L147 HydrophobicContact CE1-CD1 4.06Å; F95-L147 HydrophobicContact CE1-CD2 4.09Å; F114-L147 WeakPolarHBondContact CB-O 3.09Å; P115-L147 WeakPolarHBondContact CD-O 3.5Å; P115-L147 WeakPolarHBondContact CG-O 3.34Å; C116-L147 HydrophobicContact CB-CB 3.96Å; C116-L147 HydrophobicContact CB-CD1 4.29Å; C116-L147 HydrophobicContact CB-CD2 4.18Å; C116-L147 HydrophobicContact CB-CG 4.35Å; C116-L147 PolarHBondContact O-N 3.25Å; L118-L147 HydrophobicContact CB-CD1 4.02Å; L147-L156 HydrophobicContact CD2-CD1 4.06Å; L147-I215 CarbonylContact C-O 3.59Å; L147-I215 WeakPolarHBondContact CA-O 3.44Å; L147-I215 HydrophobicContact CD1-CD1 4.35Å; L147-I215 HydrophobicContact CD1-CG1 4.34Å; L147-I215 HydrophobicContact CD2-CD1 4.49Å; L147-I215 HydrophobicContact CG-CD1 4Å; L147-I215 HydrophobicContact CG-CG1 3.77Å; L147-V217 HydrophobicContact CB-CB 4.41Å; L147-V217 HydrophobicContact CB-CG1 3.84Å; L147-V217 HydrophobicContact CD2-CB 4.11Å; L147-V217 HydrophobicContact CD2-CG1 4.24Å; L147-V217 HydrophobicContact CD2-CG2 4.35Å |
| 148 | K | 98.5 | Very high | 98.2 | Very high | 99 Ų | 99 | 38.8 Ų | 38.8 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.9 | 175.6 | 65.5 | 174.3 | 172.9 | -172.8 | 0 | 111.3 | F114 G150 P214 I215 S216 V217 | F114-K148 HydrophobicContact CD1-CB 3.97Å; F114-K148 HydrophobicContact CE1-CB 4.22Å; K148-G150 PolarHBondContact O-N 3.02Å; K148-P214 HydrophobicContact CB-CB 4.26Å; K148-P214 HydrophobicContact CB-CG 4.45Å; K148-P214 HydrophobicContact CD-CB 4.2Å; K148-P214 HydrophobicContact CD-CG 3.58Å; K148-P214 HydrophobicContact CG-CB 4.06Å; K148-P214 HydrophobicContact CG-CG 4.01Å; K148-I215 PolarHBondContact N-O 3.17Å; K148-S216 CarbonylContact O-C 3.55Å; K148-S216 WeakPolarHBondContact O-CA 3.49Å; K148-V217 PolarHBondContact O-N 2.99Å |
| 149 | I | 98.6 | Very high | 98.3 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 130.1 | 173.1 | -60.9 | -52.5 | 0 | 0 | 0 | 110.3 | D101 P115 V217 P219 M222 | D101-I149 HydrophobicContact CB-CD1 3.97Å; D101-I149 HydrophobicContact CB-CG1 3.72Å; D101-I149 VanDerWaalsContact CG-CD1 3.48Å; P115-I149 HydrophobicContact CB-CD1 4.14Å; P115-I149 HydrophobicContact CB-CG1 4.5Å; P115-I149 HydrophobicContact CG-CD1 3.88Å; P115-I149 HydrophobicContact CG-CG1 4.03Å; I149-V217 CarbonylContact C-O 3.55Å; I149-V217 WeakPolarHBondContact CA-O 3.43Å; I149-V217 HydrophobicContact CD1-CG1 4.29Å; I149-P219 HydrophobicContact CG2-CG 3.92Å; I149-M222 HydrophobicContact CD1-CG 3.95Å |
| 150 | G | 98.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -176.3 | -144.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K148 S216 V217 | K148-G150 PolarHBondContact O-N 3.02Å; G150-S216 VanDerWaalsContact C-OG 3.31Å; G150-S216 WeakPolarHBondContact CA-OG 3.37Å; G150-V217 PolarHBondContact N-O 3.35Å |
| 151 | A | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 60% | 0.603 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -60.6 | 150.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N153 S216 | A151-N153 PolarHBondContact O-N 3.42Å; A151-S216 PolarHBondContact N-OG 3.14Å; A151-S216 WeakPolarHBondContact O-CB 3.42Å; A151-S216 PolarHBondContact O-OG 3.03Å |
| 152 | A | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 50% | 0.504 | 24% | 0.237 | S | C | . | . | trans | -57.2 | 138.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | P154 | A152-P154 WeakPolarHBondContact O-CD 3.14Š| ||
| 153 | N | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 42 Ų | 42 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | trans | -103.1 | 104.6 | 179.2 | -179 | -6.9 | 0 | 0 | 0 | 109.4 | A151 R155 L156 S216 Q221 | A151-N153 PolarHBondContact O-N 3.42Å; N153-R155 PolarHBondContact O-N 2.91Å; N153-R155 VanDerWaalsContact O-N 3.1Å; N153-R155 WeakPolarHBondContact OD1-CB 3.29Å; N153-R155 WeakPolarHBondContact OD1-CG 3.43Å; N153-R155 PolarHBondContact OD1-N 3.04Å; N153-L156 HydrophobicContact CB-CD1 4.16Å; N153-L156 HydrophobicContact CB-CG 4.43Å; N153-L156 PolarHBondContact O-N 2.91Å; N153-L156 VanDerWaalsContact O-N 3.11Å; N153-S216 WeakPolarHBondContact CB-O 3.18Å; N153-S216 PolarHBondContact ND2-O 3.26Å; N153-S216 VanDerWaalsContact ND2-O 3.15Å; N153-Q221 PolarHBondContact O-NE2 3.11Å | ||
| 154 | P | 97.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 69% | 0.688 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -61.3 | -22.2 | -178 | -23 | 34.8 | 0 | 0 | 0 | 112.9 | A152 L156 Q157 | A152-P154 WeakPolarHBondContact O-CD 3.14Å; P154-L156 PolarHBondContact O-N 2.84Å; P154-Q157 VanDerWaalsContact O-CB 3.22Å; P154-Q157 WeakPolarHBondContact O-CB 3.18Å; P154-Q157 PolarHBondContact O-N 2.75Å; P154-Q157 VanDerWaalsContact O-N 3.08Å |
| 155 | R | 96.1 | Very high | 97.9 | Very high | 138 Ų | 138 | 50.1 Ų | 50.1 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -70.8 | -19.8 | -179.4 | -49.2 | -174.8 | -172 | 171.7 | -2.8 | 112.6 | N153 T182 L184 | N153-R155 PolarHBondContact O-N 2.91Å; N153-R155 VanDerWaalsContact O-N 3.1Å; N153-R155 WeakPolarHBondContact OD1-CB 3.29Å; N153-R155 WeakPolarHBondContact OD1-CG 3.43Å; N153-R155 PolarHBondContact OD1-N 3.04Å; R155-T182 WeakPolarHBondContact CD-O 3.33Å; R155-T182 PolarHBondContact NH1-O 2.83Å; R155-L184 PolarHBondContact NH1-O 3.44Å; R155-L184 VanDerWaalsContact NH1-O 3.14Å |
| 156 | L | 97.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -83.5 | -13.1 | 171.7 | -71.1 | 171.3 | 0 | 0 | 0 | 113.1 | F95 L147 N153 P154 K158 V159 L160 L183 V217 | F95-L156 HydrophobicContact CE1-CD2 4.26Å; F95-L156 HydrophobicContact CZ-CD2 3.94Å; L147-L156 HydrophobicContact CD2-CD1 4.06Å; N153-L156 HydrophobicContact CB-CD1 4.16Å; N153-L156 HydrophobicContact CB-CG 4.43Å; N153-L156 PolarHBondContact O-N 2.91Å; N153-L156 VanDerWaalsContact O-N 3.11Å; P154-L156 PolarHBondContact O-N 2.84Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.4Å; L156-V159 WeakPolarHBondContact O-CB 3.39Å; L156-V159 PolarHBondContact O-N 3.11Å; L156-L160 HydrophobicContact CB-CD1 4.14Å; L156-L160 HydrophobicContact CB-CG 4.37Å; L156-L160 WeakPolarHBondContact O-CG 3.33Å; L156-L160 PolarHBondContact O-N 2.87Å; L156-L183 HydrophobicContact CD2-CD2 3.6Å; L156-L183 HydrophobicContact CG-CD2 4.3Å; L156-V217 HydrophobicContact CD1-CB 4.34Å; L156-V217 HydrophobicContact CD1-CG2 3.97Å |
| 157 | Q | 97.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | -165.7 | -167.7 | 59.9 | 47.1 | 0 | 0 | 112.7 | P154 V159 L160 D161 | P154-Q157 VanDerWaalsContact O-CB 3.22Å; P154-Q157 WeakPolarHBondContact O-CB 3.18Å; P154-Q157 PolarHBondContact O-N 2.75Å; P154-Q157 VanDerWaalsContact O-N 3.08Å; Q157-V159 VanDerWaalsContact C-N 3.29Å; Q157-V159 PolarHBondContact O-N 2.87Å; Q157-L160 WeakPolarHBondContact O-CB 3.28Å; Q157-L160 PolarHBondContact O-N 2.9Å; Q157-L160 VanDerWaalsContact O-N 3.09Å; Q157-D161 PolarHBondContact NE2-OD1 3.3Å; Q157-D161 PolarHBondContact O-N 3.49Å |
| 158 | K | 97.5 | Very high | 97.8 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 178.2 | 179 | 163 | 168.8 | 173.4 | 0 | 113.1 | L156 A162 F175 S176 N177 F178 | L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.4Å; K158-A162 PolarHBondContact O-N 3.5Å; K158-F175 HydrophobicContact CD-CZ 4.48Å; K158-F175 HydrophobicContact CG-CE2 3.76Å; K158-F175 HydrophobicContact CG-CZ 3.93Å; K158-S176 WeakPolarHBondContact CE-O 2.9Å; K158-S176 PolarHBondContact NZ-O 2.95Å; K158-N177 PolarHBondContact NZ-O 3.15Å; K158-F178 HydrophobicContact CB-CD2 4.43Å; K158-F178 HydrophobicContact CB-CE2 4.46Å; K158-F178 HydrophobicContact CD-CD2 4.02Å; K158-F178 HydrophobicContact CG-CD2 4.29Å |
| 159 | V | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -47 | 174.2 | 174 | 0 | 0 | 0 | 0 | 109.8 | I59 F66 F93 L156 Q157 D161 A162 L163 F175 F178 | I59-V159 HydrophobicContact CD1-CG1 4.43Å; F66-V159 HydrophobicContact CD2-CG1 4.48Å; F66-V159 HydrophobicContact CE2-CG1 3.47Å; F66-V159 VanDerWaalsContact CE2-CG1 3.47Å; F66-V159 HydrophobicContact CZ-CG1 3.64Å; F93-V159 HydrophobicContact CE2-CG2 4.37Å; F93-V159 HydrophobicContact CZ-CG2 4.12Å; L156-V159 WeakPolarHBondContact O-CB 3.39Å; L156-V159 PolarHBondContact O-N 3.11Å; Q157-V159 VanDerWaalsContact C-N 3.29Å; Q157-V159 PolarHBondContact O-N 2.87Å; V159-D161 PolarHBondContact O-N 2.82Å; V159-A162 WeakPolarHBondContact O-CB 3.03Å; V159-A162 PolarHBondContact O-N 2.85Å; V159-A162 VanDerWaalsContact O-N 3.14Å; V159-L163 HydrophobicContact CG1-CD2 4.43Å; V159-L163 WeakPolarHBondContact O-CG 3.37Å; V159-L163 PolarHBondContact O-N 2.88Å; V159-F175 HydrophobicContact CG2-CE2 4.42Å; V159-F175 HydrophobicContact CG2-CZ 3.83Å; V159-F178 HydrophobicContact CG2-CE2 4.11Å; V159-F178 HydrophobicContact CG2-CZ 3.97Å |
| 160 | L | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | -179.5 | -69.3 | 172.7 | 0 | 0 | 0 | 113 | L156 Q157 A162 L163 Q221 K224 F225 | L156-L160 HydrophobicContact CB-CD1 4.14Å; L156-L160 HydrophobicContact CB-CG 4.37Å; L156-L160 WeakPolarHBondContact O-CG 3.33Å; L156-L160 PolarHBondContact O-N 2.87Å; Q157-L160 WeakPolarHBondContact O-CB 3.28Å; Q157-L160 PolarHBondContact O-N 2.9Å; Q157-L160 VanDerWaalsContact O-N 3.09Å; L160-A162 PolarHBondContact O-N 3.11Å; L160-L163 HydrophobicContact CD2-CD1 4Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.36Å; L160-Q221 HydrophobicContact CD1-CB 3.81Å; L160-Q221 HydrophobicContact CD1-CG 3.47Å; L160-Q221 VanDerWaalsContact CD1-CG 3.47Å; L160-K224 HydrophobicContact CD2-CB 3.77Å; L160-F225 HydrophobicContact CD2-CD2 3.68Å; L160-F225 HydrophobicContact CD2-CE2 3.4Å; L160-F225 HydrophobicContact CD2-CZ 4.49Å; L160-F225 HydrophobicContact CG-CE2 4.4Å |
| 161 | D | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 58.4 Ų | 58.4 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -30.1 | 178.6 | -63.6 | -22.4 | 0 | 0 | 0 | 111.8 | Q157 V159 | Q157-D161 PolarHBondContact NE2-OD1 3.3Å; Q157-D161 PolarHBondContact O-N 3.49Å; V159-D161 PolarHBondContact O-N 2.82Å |
| 162 | A | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 62 Ų | 62 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -78.6 | -22 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I59 K158 V159 L160 D164 S165 F175 | I59-A162 HydrophobicContact CD1-CB 4.05Å; I59-A162 HydrophobicContact CG2-CB 4Å; K158-A162 PolarHBondContact O-N 3.5Å; V159-A162 WeakPolarHBondContact O-CB 3.03Å; V159-A162 PolarHBondContact O-N 2.85Å; V159-A162 VanDerWaalsContact O-N 3.14Å; L160-A162 PolarHBondContact O-N 3.11Å; A162-D164 VanDerWaalsContact C-N 3.27Å; A162-D164 PolarHBondContact O-N 2.83Å; A162-S165 WeakPolarHBondContact O-CB 3.37Å; A162-S165 PolarHBondContact O-N 2.77Å; A162-F175 HydrophobicContact CB-CD2 4.04Å; A162-F175 HydrophobicContact CB-CE2 4.23Å |
| 163 | L | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -34 | -174.7 | -62.3 | -170.4 | 0 | 0 | 0 | 112.9 | I59 F66 V159 L160 S165 I166 K167 K224 F225 L228 | I59-L163 HydrophobicContact CD1-CD2 4.22Å; F66-L163 HydrophobicContact CD1-CD2 3.85Å; F66-L163 HydrophobicContact CD2-CD2 4.19Å; F66-L163 HydrophobicContact CE1-CD1 4.49Å; F66-L163 HydrophobicContact CE1-CD2 3.96Å; F66-L163 HydrophobicContact CE2-CD2 4.31Å; F66-L163 HydrophobicContact CG-CD2 3.95Å; F66-L163 HydrophobicContact CZ-CD2 4.18Å; V159-L163 HydrophobicContact CG1-CD2 4.43Å; V159-L163 WeakPolarHBondContact O-CG 3.37Å; V159-L163 PolarHBondContact O-N 2.88Å; L160-L163 HydrophobicContact CD2-CD1 4Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.36Å; L163-S165 PolarHBondContact O-N 3.03Å; L163-I166 HydrophobicContact CD2-CD1 4.1Å; L163-I166 HydrophobicContact CD2-CG1 4.44Å; L163-I166 CarbonylContact O-C 3.39Å; L163-I166 PolarHBondContact O-N 3.3Å; L163-K167 PolarHBondContact O-N 2.79Å; L163-K224 HydrophobicContact CD1-CB 4.43Å; L163-F225 HydrophobicContact CD1-CD2 4.38Å; L163-L228 HydrophobicContact CB-CD2 4.14Å; L163-L228 HydrophobicContact CD2-CD1 4.22Å |
| 164 | D | 95.5 | Very high | 97.8 | Very high | 97 Ų | 97 | 66 Ų | 66 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -63.1 | -26.8 | 178.5 | -68 | -23.2 | 0 | 0 | 0 | 111.5 | A162 K224 | A162-D164 VanDerWaalsContact C-N 3.27Å; A162-D164 PolarHBondContact O-N 2.83Å; D164-K224 IonicContact OD1-NZ 2.69Å; D164-K224 PolarHBondContact OD1-NZ 2.88Å; D164-K224 IonicContact OD2-NZ 3.15Å; D164-K224 PolarHBondContact OD2-NZ 2.88Å |
| 165 | S | 98.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -83.4 | -12.8 | 177 | -61 | 0 | 0 | 0 | 0 | 114.1 | A162 L163 | A162-S165 WeakPolarHBondContact O-CB 3.37Å; A162-S165 PolarHBondContact O-N 2.77Å; L163-S165 PolarHBondContact O-N 3.03Å |
| 166 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -125.2 | 33.2 | -177.2 | 60 | 151.9 | 0 | 0 | 0 | 112.4 | I59 N61 F66 L163 T168 K171 T173 | I59-I166 HydrophobicContact CD1-CD1 3.91Å; I59-I166 HydrophobicContact CG1-CD1 3.74Å; I59-I166 HydrophobicContact CG2-CG2 4.28Å; N61-I166 HydrophobicContact CB-CB 4.2Å; N61-I166 HydrophobicContact CB-CD1 4.28Å; N61-I166 WeakPolarHBondContact CB-O 3.28Å; N61-I166 PolarHBondContact ND2-O 2.82Å; N61-I166 VanDerWaalsContact ND2-O 3.15Å; F66-I166 HydrophobicContact CB-CD1 3.62Å; F66-I166 HydrophobicContact CG-CD1 4.38Å; L163-I166 HydrophobicContact CD2-CD1 4.1Å; L163-I166 HydrophobicContact CD2-CG1 4.44Å; L163-I166 CarbonylContact O-C 3.39Å; L163-I166 PolarHBondContact O-N 3.3Å; I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 2.78Å; I166-K171 HydrophobicContact CB-CB 4.31Å; I166-K171 HydrophobicContact CG2-CB 4.45Å; I166-T173 HydrophobicContact CG2-CG2 4.05Å |
| 167 | K | 98.3 | Very high | 97.8 | Very high | 110 Ų | 110 | 62.4 Ų | 62.4 | 48% | 0.478 | 34% | 0.339 | S | S | . | . | trans | -57.3 | -38.6 | -171.5 | -170.2 | 172.5 | -176.8 | 177.3 | 0 | 114.2 | N61 L163 S227 L229 | N61-K167 PolarHBondContact ND2-O 3.41Å; N61-K167 VanDerWaalsContact ND2-O 3.15Å; L163-K167 PolarHBondContact O-N 2.79Å; K167-S227 WeakPolarHBondContact CE-O 3.46Å; K167-L229 HydrophobicContact CG-CG 4.4Å; K167-L229 PolarHBondContact O-N 3.34Å | ||
| 168 | T | 98.5 | Very high | 97.8 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -109.8 | 156.8 | -175.3 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | I166 G170 K171 L229 T231 | I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 2.78Å; T168-G170 PolarHBondContact O-N 3.34Å; T168-K171 WeakPolarHBondContact O-CB 3.16Å; T168-K171 WeakPolarHBondContact O-CG 3.28Å; T168-K171 PolarHBondContact O-N 2.94Å; T168-K171 VanDerWaalsContact O-N 3.14Å; T168-K171 VanDerWaalsContact OG1-CG 3.23Å; T168-K171 WeakPolarHBondContact OG1-CG 3.37Å; T168-L229 HydrophobicContact CG2-CB 4.45Å; T168-L229 HydrophobicContact CG2-CD1 3.87Å; T168-T231 WeakPolarHBondContact CA-O 3.29Å; T168-T231 WeakPolarHBondContact CB-O 3.47Å |
| 169 | K | 98.4 | Very high | 97.8 | Very high | 103 Ų | 103 | 56 Ų | 56 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 135.5 | 176.4 | 175.3 | 179.3 | -177.8 | 177.8 | 0 | 111.8 | K171 F230 T231 | K169-K171 VanDerWaalsContact C-N 3.26Å; K169-K171 PolarHBondContact O-N 2.92Å; K169-F230 WeakPolarHBondContact CB-O 3.36Å; K169-T231 PolarHBondContact N-O 3.15Å |
| 170 | G | 98 | Very high | 97.7 | Very high | 56 Ų | 56 | 56 Ų | 56 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -9.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N61 T168 | N61-G170 PolarHBondContact O-N 3.42Å; T168-G170 PolarHBondContact O-N 3.34Å |
| 171 | K | 98.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | trans | -73.4 | 136.1 | 172 | -65.9 | -71.3 | -176.4 | 179.9 | 0 | 109.9 | N61 I166 T168 K169 E233 | N61-K171 PolarHBondContact N-O 2.72Å; I166-K171 HydrophobicContact CB-CB 4.31Å; I166-K171 HydrophobicContact CG2-CB 4.45Å; T168-K171 WeakPolarHBondContact O-CB 3.16Å; T168-K171 WeakPolarHBondContact O-CG 3.28Å; T168-K171 PolarHBondContact O-N 2.94Å; T168-K171 VanDerWaalsContact O-N 3.14Å; T168-K171 VanDerWaalsContact OG1-CG 3.23Å; T168-K171 WeakPolarHBondContact OG1-CG 3.37Å; K169-K171 VanDerWaalsContact C-N 3.26Å; K169-K171 PolarHBondContact O-N 2.92Å; K171-E233 WeakPolarHBondContact CE-OE2 3.23Å; K171-E233 IonicContact NZ-OE2 2.69Å; K171-E233 PolarHBondContact NZ-OE2 3Å | ||
| 172 | Q | 98.3 | Very high | 97.5 | Very high | 148 Ų | 148 | 58.8 Ų | 58.8 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 152.1 | 176 | 65 | -179.1 | 13.5 | 0 | 0 | 109.8 | I59 L60 | I59-Q172 CarbonylContact O-C 3.42Å; I59-Q172 WeakPolarHBondContact O-CA 3.37Å; L60-Q172 HydrophobicContact CB-CB 4.18Å; L60-Q172 HydrophobicContact CD1-CB 4.21Å |
| 173 | T | 98.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.8 | 171.2 | -168.1 | 0 | 0 | 0 | 0 | 110.5 | G58 I59 I166 F175 | G58-T173 WeakPolarHBondContact CA-O 3.14Å; I59-T173 HydrophobicContact CG2-CG2 3.46Å; I59-T173 VanDerWaalsContact CG2-CG2 3.46Å; I59-T173 PolarHBondContact N-O 3.48Å; I59-T173 PolarHBondContact O-N 2.8Å; I166-T173 HydrophobicContact CG2-CG2 4.05Å; T173-F175 PolarHBondContact O-N 2.83Å |
| 174 | T | 97.5 | Very high | 97.5 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 67% | 0.669 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 133.6 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 110 | ||
| 175 | F | 97.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | trans | -139.3 | 91.3 | 176.1 | -169.7 | -93.4 | 0 | 0 | 0 | 109 | A56 R57 I59 V68 K158 V159 A162 T173 F178 | A56-F175 CarbonylContact C-O 3.09Å; A56-F175 HydrophobicContact CB-CD1 4.35Å; A56-F175 WeakPolarHBondContact CB-O 3.18Å; R57-F175 CarbonylContact C-O 3.5Å; R57-F175 VanDerWaalsContact C-O 3.25Å; R57-F175 WeakPolarHBondContact CA-O 3.41Å; R57-F175 PolarHBondContact N-O 2.81Å; R57-F175 VanDerWaalsContact N-O 3.11Å; R57-F175 PolarHBondContact O-N 3.36Å; R57-F175 VanDerWaalsContact O-N 3.1Å; I59-F175 HydrophobicContact CB-CB 3.82Å; I59-F175 HydrophobicContact CB-CD2 4.3Å; I59-F175 HydrophobicContact CB-CG 4.12Å; I59-F175 HydrophobicContact CG2-CB 3.88Å; I59-F175 HydrophobicContact CG2-CD2 4.18Å; I59-F175 HydrophobicContact CG2-CG 4.32Å; V68-F175 HydrophobicContact CB-CD1 4.44Å; V68-F175 HydrophobicContact CG1-CD1 3.46Å; V68-F175 VanDerWaalsContact CG1-CD1 3.46Å; V68-F175 HydrophobicContact CG1-CE1 3.73Å; V68-F175 HydrophobicContact CG1-CG 4.42Å; V68-F175 HydrophobicContact CG2-CD1 4.06Å; V68-F175 HydrophobicContact CG2-CE1 4.02Å; K158-F175 HydrophobicContact CD-CZ 4.48Å; K158-F175 HydrophobicContact CG-CE2 3.76Å; K158-F175 HydrophobicContact CG-CZ 3.93Å; V159-F175 HydrophobicContact CG2-CE2 4.42Å; V159-F175 HydrophobicContact CG2-CZ 3.83Å; A162-F175 HydrophobicContact CB-CD2 4.04Å; A162-F175 HydrophobicContact CB-CE2 4.23Å; T173-F175 PolarHBondContact O-N 2.83Å; F175-F178 HydrophobicContact CD1-CB 4.1Å; F175-F178 HydrophobicContact CE1-CB 3.37Å; F175-F178 AromaticContact CE1-CD1 3.83Å; F175-F178 HydrophobicContact CE1-CD1 3.83Å; F175-F178 AromaticContact CE1-CD2 3.83Å; F175-F178 HydrophobicContact CE1-CD2 3.83Å; F175-F178 AromaticContact CE1-CG 3.38Å; F175-F178 HydrophobicContact CE1-CG 3.38Å; F175-F178 HydrophobicContact CZ-CB 4.01Å; F175-F178 HydrophobicContact CZ-CD1 4.35Å; F175-F178 AromaticContact CZ-CD2 3.65Å; F175-F178 HydrophobicContact CZ-CD2 3.65Å; F175-F178 HydrophobicContact CZ-CE2 4.19Å; F175-F178 AromaticContact CZ-CG 3.74Å; F175-F178 HydrophobicContact CZ-CG 3.74Å | ||
| 176 | S | 96.3 | Very high | 97.6 | Very high | 52 Ų | 52 | 55 Ų | 55 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | trans | -111.6 | 164.3 | -174 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | A56 K158 | A56-S176 WeakPolarHBondContact O-CA 3.4Å; K158-S176 WeakPolarHBondContact CE-O 2.9Å; K158-S176 PolarHBondContact NZ-O 2.95Å | ||
| 177 | N | 96.6 | Very high | 97.6 | Very high | 108 Ų | 108 | 56.8 Ų | 56.8 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 56.2 | 55.4 | 173.2 | -60.1 | -40.3 | 0 | 0 | 0 | 112.7 | P53 K158 | P53-N177 CarbonylContact O-C 3.59Å; P53-N177 WeakPolarHBondContact O-CA 3.44Å; P53-N177 PolarHBondContact O-N 3.08Å; K158-N177 PolarHBondContact NZ-O 3.15Å |
| 178 | F | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | trans | -126.7 | 119.1 | 179.6 | -176.7 | -95.6 | 0 | 0 | 0 | 111.1 | P53 A56 F70 F93 K158 V159 F175 A180 L183 | P53-F178 WeakPolarHBondContact CA-O 3.49Å; P53-F178 PolarHBondContact O-N 3.27Å; A56-F178 HydrophobicContact CB-CB 3.93Å; F70-F178 HydrophobicContact CZ-CD1 4.39Å; F93-F178 AromaticContact CE1-CD1 3.85Å; F93-F178 HydrophobicContact CE1-CD1 3.85Å; F93-F178 AromaticContact CE1-CE1 3.57Å; F93-F178 HydrophobicContact CE1-CE1 3.57Å; F93-F178 HydrophobicContact CZ-CD1 4.16Å; F93-F178 AromaticContact CZ-CE1 3.67Å; F93-F178 HydrophobicContact CZ-CE1 3.67Å; F93-F178 HydrophobicContact CZ-CZ 4.36Å; K158-F178 HydrophobicContact CB-CD2 4.43Å; K158-F178 HydrophobicContact CB-CE2 4.46Å; K158-F178 HydrophobicContact CD-CD2 4.02Å; K158-F178 HydrophobicContact CG-CD2 4.29Å; V159-F178 HydrophobicContact CG2-CE2 4.11Å; V159-F178 HydrophobicContact CG2-CZ 3.97Å; F175-F178 HydrophobicContact CD1-CB 4.1Å; F175-F178 HydrophobicContact CE1-CB 3.37Å; F175-F178 AromaticContact CE1-CD1 3.83Å; F175-F178 HydrophobicContact CE1-CD1 3.83Å; F175-F178 AromaticContact CE1-CD2 3.83Å; F175-F178 HydrophobicContact CE1-CD2 3.83Å; F175-F178 AromaticContact CE1-CG 3.38Å; F175-F178 HydrophobicContact CE1-CG 3.38Å; F175-F178 HydrophobicContact CZ-CB 4.01Å; F175-F178 HydrophobicContact CZ-CD1 4.35Å; F175-F178 AromaticContact CZ-CD2 3.65Å; F175-F178 HydrophobicContact CZ-CD2 3.65Å; F175-F178 HydrophobicContact CZ-CE2 4.19Å; F175-F178 AromaticContact CZ-CG 3.74Å; F175-F178 HydrophobicContact CZ-CG 3.74Å; F178-A180 HydrophobicContact CE1-CB 4.45Å; F178-L183 HydrophobicContact CE1-CD1 3.92Å; F178-L183 HydrophobicContact CE1-CG 4.23Å; F178-L183 HydrophobicContact CZ-CD1 3.9Å; F178-L183 HydrophobicContact CZ-CD2 4.12Å; F178-L183 HydrophobicContact CZ-CG 3.91Å | ||
| 179 | D | 97 | Very high | 97.6 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | trans | -87.8 | 107.6 | 175.9 | -168.8 | -17.5 | 0 | 0 | 0 | 110.3 | P53 R181 T182 | P53-D179 HydrophobicContact CB-CB 4.25Å; P53-D179 HydrophobicContact CG-CB 3.83Å; D179-R181 PolarHBondContact O-N 3.07Å; D179-R181 VanDerWaalsContact O-N 3.11Å; D179-R181 WeakPolarHBondContact OD1-CB 3.33Å; D179-R181 VanDerWaalsContact OD1-CG 3.24Å; D179-R181 WeakPolarHBondContact OD1-CG 3.11Å; D179-R181 PolarHBondContact OD1-N 3.01Å; D179-R181 IonicContact OD1-NE 3.09Å; D179-R181 PolarHBondContact OD1-NE 2.74Å; D179-R181 VanDerWaalsContact OD1-NE 3.09Å; D179-R181 IonicContact OD2-CZ 3.22Å; D179-R181 IonicContact OD2-NE 2.96Å; D179-R181 PolarHBondContact OD2-NE 3.03Å; D179-R181 IonicContact OD2-NH2 2.67Å; D179-R181 PolarHBondContact OD2-NH2 2.7Å; D179-T182 HydrophobicContact CB-CG2 4.11Å; D179-T182 WeakPolarHBondContact O-CB 3.3Å; D179-T182 VanDerWaalsContact O-CG2 3.32Å; D179-T182 WeakPolarHBondContact O-CG2 3.34Å; D179-T182 PolarHBondContact O-N 3.28Å; D179-T182 VanDerWaalsContact O-N 3.08Å; D179-T182 PolarHBondContact O-OG1 3.45Å | ||
| 180 | A | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -63.2 | -15.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y51 F70 L90 F93 L120 F178 T182 L183 | Y51-A180 HydrophobicContact CD2-CB 3.59Å; Y51-A180 HydrophobicContact CE2-CB 3.88Å; Y51-A180 HydrophobicContact CG-CB 4.35Å; F70-A180 HydrophobicContact CZ-CB 4.1Å; L90-A180 HydrophobicContact CD2-CB 4.19Å; F93-A180 HydrophobicContact CD1-CB 4.39Å; L120-A180 HydrophobicContact CD2-CB 4.34Å; F178-A180 HydrophobicContact CE1-CB 4.45Å; A180-T182 PolarHBondContact O-N 2.68Å; A180-L183 WeakPolarHBondContact O-CB 3.43Å; A180-L183 PolarHBondContact O-N 3.19Å |
| 181 | R | 95.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -64.6 | -23.7 | 174.5 | -62.2 | 178.2 | -64.6 | 172.9 | 1.8 | 111.8 | Y51 D179 L183 L184 | Y51-R181 HydrophobicContact CD2-CB 4.43Å; Y51-R181 HydrophobicContact CD2-CG 3.51Å; Y51-R181 HydrophobicContact CE2-CG 4.2Å; Y51-R181 HydrophobicContact CG-CG 4.19Å; D179-R181 PolarHBondContact O-N 3.07Å; D179-R181 VanDerWaalsContact O-N 3.11Å; D179-R181 WeakPolarHBondContact OD1-CB 3.33Å; D179-R181 VanDerWaalsContact OD1-CG 3.24Å; D179-R181 WeakPolarHBondContact OD1-CG 3.11Å; D179-R181 PolarHBondContact OD1-N 3.01Å; D179-R181 IonicContact OD1-NE 3.09Å; D179-R181 PolarHBondContact OD1-NE 2.74Å; D179-R181 VanDerWaalsContact OD1-NE 3.09Å; D179-R181 IonicContact OD2-CZ 3.22Å; D179-R181 IonicContact OD2-NE 2.96Å; D179-R181 PolarHBondContact OD2-NE 3.03Å; D179-R181 IonicContact OD2-NH2 2.67Å; D179-R181 PolarHBondContact OD2-NH2 2.7Å; R181-L183 PolarHBondContact O-N 2.94Å; R181-L184 HydrophobicContact CB-CD1 4.09Å; R181-L184 HydrophobicContact CG-CD1 4.25Å; R181-L184 WeakPolarHBondContact O-CB 3.25Å; R181-L184 WeakPolarHBondContact O-CG 3.39Å; R181-L184 PolarHBondContact O-N 3.44Å |
| 182 | T | 95.8 | Very high | 97.7 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -61.3 | -26.6 | 174.9 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | R155 D179 A180 L184 | R155-T182 WeakPolarHBondContact CD-O 3.33Å; R155-T182 PolarHBondContact NH1-O 2.83Å; D179-T182 HydrophobicContact CB-CG2 4.11Å; D179-T182 WeakPolarHBondContact O-CB 3.3Å; D179-T182 VanDerWaalsContact O-CG2 3.32Å; D179-T182 WeakPolarHBondContact O-CG2 3.34Å; D179-T182 PolarHBondContact O-N 3.28Å; D179-T182 VanDerWaalsContact O-N 3.08Å; D179-T182 PolarHBondContact O-OG1 3.45Å; A180-T182 PolarHBondContact O-N 2.68Å; T182-L184 VanDerWaalsContact C-N 3.27Å; T182-L184 PolarHBondContact O-N 3.29Å |
| 183 | L | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -83.8 | -0.3 | 178.1 | -55.6 | -179.3 | 0 | 0 | 0 | 113.6 | F93 F95 L118 L156 F178 A180 R181 | F93-L183 HydrophobicContact CE1-CD1 4.33Å; F93-L183 HydrophobicContact CE2-CD1 4.17Å; F93-L183 HydrophobicContact CZ-CD1 4.06Å; F95-L183 HydrophobicContact CZ-CD1 4.31Å; L118-L183 HydrophobicContact CD2-CB 3.65Å; L118-L183 HydrophobicContact CD2-CD1 3.85Å; L118-L183 HydrophobicContact CD2-CG 4.36Å; L156-L183 HydrophobicContact CD2-CD2 3.6Å; L156-L183 HydrophobicContact CG-CD2 4.3Å; F178-L183 HydrophobicContact CE1-CD1 3.92Å; F178-L183 HydrophobicContact CE1-CG 4.23Å; F178-L183 HydrophobicContact CZ-CD1 3.9Å; F178-L183 HydrophobicContact CZ-CD2 4.12Å; F178-L183 HydrophobicContact CZ-CG 3.91Å; A180-L183 WeakPolarHBondContact O-CB 3.43Å; A180-L183 PolarHBondContact O-N 3.19Å; R181-L183 PolarHBondContact O-N 2.94Å |
| 184 | L | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -81.4 | 143.8 | 177.7 | -58.7 | 174.1 | 0 | 0 | 0 | 111.6 | L49 L120 I145 R155 R181 T182 L188 L211 | L49-L184 HydrophobicContact CB-CD1 4.31Å; L49-L184 HydrophobicContact CD1-CD1 3.85Å; L49-L184 HydrophobicContact CD1-CD2 4.38Å; L120-L184 HydrophobicContact CD1-CD2 3.98Å; I145-L184 HydrophobicContact CD1-CD2 3.74Å; R155-L184 PolarHBondContact NH1-O 3.44Å; R155-L184 VanDerWaalsContact NH1-O 3.14Å; R181-L184 HydrophobicContact CB-CD1 4.09Å; R181-L184 HydrophobicContact CG-CD1 4.25Å; R181-L184 WeakPolarHBondContact O-CB 3.25Å; R181-L184 WeakPolarHBondContact O-CG 3.39Å; R181-L184 PolarHBondContact O-N 3.44Å; T182-L184 VanDerWaalsContact C-N 3.27Å; T182-L184 PolarHBondContact O-N 3.29Å; L184-L188 HydrophobicContact CB-CD2 4.31Å; L184-L188 HydrophobicContact CD1-CD2 4.4Å; L184-L188 HydrophobicContact CD2-CD2 4.48Å; L184-L211 HydrophobicContact CD2-CD1 4.39Å |
| 185 | P | 98.2 | Very high | 97.8 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -68.3 | 176.1 | 168.2 | 31.8 | -37.1 | 0 | 0 | 0 | 112 | S187 L211 E213 I215 | P185-S187 VanDerWaalsContact CG-O 3.31Å; P185-S187 WeakPolarHBondContact CG-O 3.25Å; P185-L211 HydrophobicContact CG-CB 4.4Å; P185-L211 HydrophobicContact CG-CD1 3.59Å; P185-E213 HydrophobicContact CB-CB 3.83Å; P185-E213 HydrophobicContact CB-CG 3.82Å; P185-E213 WeakPolarHBondContact CB-O 3.37Å; P185-E213 HydrophobicContact CG-CB 4.25Å; P185-E213 WeakPolarHBondContact CG-O 3.45Å; P185-I215 HydrophobicContact CB-CG2 3.97Å | ||
| 186 | G | 97.3 | Very high | 97.9 | Very high | 75 Ų | 75 | 33.9 Ų | 33.9 | 77% | 0.773 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -68.5 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 187 | S | 98.2 | Very high | 98 | Very high | 37 Ų | 37 | 33 Ų | 33 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | trans | -93.9 | 135.6 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | P185 D189 E213 | P185-S187 VanDerWaalsContact CG-O 3.31Å; P185-S187 WeakPolarHBondContact CG-O 3.25Å; S187-D189 WeakPolarHBondContact OG-CB 3.49Å; S187-D189 PolarHBondContact OG-N 3.35Å; S187-D189 VanDerWaalsContact OG-N 3.16Å; S187-D189 PolarHBondContact OG-OD2 3.1Å; S187-E213 WeakPolarHBondContact CA-OE2 3.43Å; S187-E213 WeakPolarHBondContact CB-OE2 3.5Å; S187-E213 PolarHBondContact N-OE2 3.29Å | ||
| 188 | L | 98.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 28 Ų | 28 | 29% | 0.288 | 16% | 0.163 | S | C | . | . | trans | -100.1 | 20.6 | 172.1 | -60.1 | -177.7 | 0 | 0 | 0 | 112.1 | L47 L49 L184 Y190 L211 | L47-L188 HydrophobicContact CB-CD1 4.43Å; L47-L188 HydrophobicContact CD1-CB 4.35Å; L49-L188 HydrophobicContact CD1-CD1 3.85Å; L49-L188 HydrophobicContact CD1-CD2 4.34Å; L184-L188 HydrophobicContact CB-CD2 4.31Å; L184-L188 HydrophobicContact CD1-CD2 4.4Å; L184-L188 HydrophobicContact CD2-CD2 4.48Å; L188-Y190 VanDerWaalsContact O-CD1 3.32Å; L188-Y190 WeakPolarHBondContact O-CD1 3.45Å; L188-L211 HydrophobicContact CD2-CD1 3.79Å | ||
| 189 | D | 98.7 | Very high | 98 | Very high | 61 Ų | 61 | 29.2 Ų | 29.2 | 33% | 0.326 | 17% | 0.171 | S | C | . | . | trans | -59.2 | 135.9 | 169.9 | -76.5 | -24.4 | 0 | 0 | 0 | 110.3 | S187 L211 R212 F259 | S187-D189 WeakPolarHBondContact OG-CB 3.49Å; S187-D189 PolarHBondContact OG-N 3.35Å; S187-D189 VanDerWaalsContact OG-N 3.16Å; S187-D189 PolarHBondContact OG-OD2 3.1Å; D189-L211 WeakPolarHBondContact O-CA 3.39Å; D189-R212 HydrophobicContact CB-CB 4.34Å; D189-R212 WeakPolarHBondContact O-CB 3.29Å; D189-R212 PolarHBondContact O-N 3.26Å; D189-F259 HydrophobicContact CB-CB 4.34Å; D189-F259 HydrophobicContact CB-CD1 3.69Å; D189-F259 HydrophobicContact CB-CE1 4.37Å; D189-F259 HydrophobicContact CB-CG 4.23Å | ||
| 190 | Y | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.2 | -168.5 | 67.5 | -89 | 0 | 0 | 0 | 113.6 | L44 K45 L47 G82 P83 L188 T192 I209 V210 S258 | L44-Y190 WeakPolarHBondContact CB-OH 3.24Å; L44-Y190 HydrophobicContact CD1-CE2 4.12Å; L44-Y190 HydrophobicContact CD2-CE2 4.39Å; K45-Y190 PolarHBondContact O-OH 3.45Å; K45-Y190 VanDerWaalsContact O-OH 3.04Å; L47-Y190 HydrophobicContact CD1-CD1 3.6Å; L47-Y190 HydrophobicContact CD1-CE1 4.06Å; L47-Y190 HydrophobicContact CD1-CG 4.11Å; L47-Y190 HydrophobicContact CD2-CD1 4.46Å; L47-Y190 HydrophobicContact CD2-CE1 4.19Å; L47-Y190 HydrophobicContact CG-CD1 3.83Å; L47-Y190 HydrophobicContact CG-CE1 3.74Å; G82-Y190 VanDerWaalsContact C-OH 3.24Å; G82-Y190 WeakPolarHBondContact CA-OH 3.18Å; P83-Y190 HydrophobicContact CG-CE2 4.09Å; L188-Y190 VanDerWaalsContact O-CD1 3.32Å; L188-Y190 WeakPolarHBondContact O-CD1 3.45Å; Y190-T192 HydrophobicContact CD2-CG2 4.43Å; Y190-T192 HydrophobicContact CE2-CG2 3.99Å; Y190-I209 HydrophobicContact CD2-CG2 3.88Å; Y190-I209 HydrophobicContact CG-CG2 3.87Å; Y190-V210 CarbonylContact C-O 3.47Å; Y190-V210 VanDerWaalsContact CA-O 3.31Å; Y190-V210 WeakPolarHBondContact CA-O 3.46Å; Y190-S258 WeakPolarHBondContact CD1-OG 3.25Å; Y190-S258 VanDerWaalsContact CE1-CB 3.48Å; Y190-S258 PolarHBondContact N-OG 3.17Å; Y190-S258 PolarHBondContact O-N 3.49Å; Y190-S258 PolarHBondContact O-OG 2.69Å |
| 191 | W | 98.9 | Very high | 98 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 152.5 | 159 | -63.4 | -77.1 | 0 | 0 | 0 | 110.6 | I33 T35 I109 I209 V210 R212 V255 R256 F259 | I33-W191 HydrophobicContact CD1-CB 4.16Å; I33-W191 HydrophobicContact CD1-CD2 4.24Å; I33-W191 HydrophobicContact CD1-CE3 3.99Å; I33-W191 HydrophobicContact CD1-CG 4.35Å; I33-W191 HydrophobicContact CG2-CD2 3.77Å; I33-W191 HydrophobicContact CG2-CE3 4.32Å; I33-W191 HydrophobicContact CG2-CG 3.86Å; I33-W191 HydrophobicContact CG2-CZ2 4.38Å; T35-W191 HydrophobicContact CG2-CH2 4.42Å; T35-W191 HydrophobicContact CG2-CZ2 3.76Å; I109-W191 HydrophobicContact CD1-CH2 3.76Å; I109-W191 HydrophobicContact CD1-CZ3 3.64Å; I109-W191 HydrophobicContact CG1-CH2 4.28Å; I109-W191 HydrophobicContact CG1-CZ3 4.16Å; I109-W191 HydrophobicContact CG2-CH2 4.31Å; W191-I209 CarbonylContact O-C 3.47Å; W191-I209 WeakPolarHBondContact O-CA 3.18Å; W191-V210 PolarHBondContact N-O 2.85Å; W191-V210 PolarHBondContact O-N 2.94Å; W191-R212 HydrophobicContact CE3-CB 4.43Å; W191-R212 HydrophobicContact CH2-CB 4.03Å; W191-R212 HydrophobicContact CH2-CG 3.82Å; W191-R212 HydrophobicContact CZ2-CG 4.44Å; W191-R212 HydrophobicContact CZ3-CB 3.9Å; W191-R212 HydrophobicContact CZ3-CG 4.18Å; W191-V255 HydrophobicContact CB-CG1 3.78Å; W191-V255 HydrophobicContact CG-CG1 4.1Å; W191-R256 CarbonylContact C-O 3.48Å; W191-R256 WeakPolarHBondContact CA-O 3.35Å; W191-F259 HydrophobicContact CD2-CE1 4.34Å; W191-F259 HydrophobicContact CD2-CZ 4.22Å; W191-F259 AromaticContact CE2-CZ 3.48Å; W191-F259 VanDerWaalsContact CE2-CZ 3.48Å; W191-F259 HydrophobicContact CH2-CZ 4.34Å; W191-F259 HydrophobicContact CZ2-CE1 4.38Å; W191-F259 HydrophobicContact CZ2-CE2 4.44Å; W191-F259 AromaticContact CZ2-CZ 3.56Å; W191-F259 HydrophobicContact CZ2-CZ 3.56Å; W191-F259 AromaticContact NE1-CZ 3.51Å |
| 192 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | L44 P83 Y190 W208 R256 | L44-T192 HydrophobicContact CD1-CG2 3.96Å; L44-T192 HydrophobicContact CD2-CG2 4Å; P83-T192 HydrophobicContact CB-CG2 3.86Å; P83-T192 HydrophobicContact CG-CG2 4.21Å; P83-T192 VanDerWaalsContact CG-OG1 3.27Å; P83-T192 WeakPolarHBondContact CG-OG1 3.41Å; Y190-T192 HydrophobicContact CD2-CG2 4.43Å; Y190-T192 HydrophobicContact CE2-CG2 3.99Å; T192-W208 WeakPolarHBondContact CA-O 3.21Å; T192-W208 VanDerWaalsContact CB-O 3.24Å; T192-W208 WeakPolarHBondContact CB-O 3.14Å; T192-W208 PolarHBondContact OG1-O 3.3Å; T192-R256 HydrophobicContact CG2-CB 3.93Å; T192-R256 PolarHBondContact N-O 3.27Å; T192-R256 PolarHBondContact O-N 3.18Å |
| 193 | Y | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 159.7 | 175.3 | 74 | -79.2 | 0 | 0 | 0 | 109.6 | S29 I31 H107 W208 | S29-Y193 WeakPolarHBondContact CB-OH 3.42Å; S29-Y193 WeakPolarHBondContact OG-CE2 3.45Å; S29-Y193 PolarHBondContact OG-OH 3.3Å; I31-Y193 HydrophobicContact CD1-CD1 3.7Å; I31-Y193 HydrophobicContact CD1-CD2 3.87Å; I31-Y193 HydrophobicContact CD1-CE1 3.71Å; I31-Y193 HydrophobicContact CD1-CE2 3.9Å; I31-Y193 HydrophobicContact CD1-CG 3.8Å; I31-Y193 HydrophobicContact CG1-CD1 4.3Å; I31-Y193 HydrophobicContact CG1-CE1 3.78Å; I31-Y193 HydrophobicContact CG1-CE2 4.06Å; I31-Y193 HydrophobicContact CG2-CE2 4.12Å; H107-Y193 AromaticContact NE2-CE1 3.48Å; H107-Y193 WeakPolarHBondContact NE2-CE1 3.48Å; H107-Y193 AromaticContact NE2-CZ 3.47Å; H107-Y193 PolarHBondContact NE2-OH 3.06Å; Y193-W208 HydrophobicContact CD1-CB 3.68Å; Y193-W208 HydrophobicContact CD1-CG 4.38Å; Y193-W208 HydrophobicContact CE1-CB 3.37Å; Y193-W208 HydrophobicContact CE1-CD2 4.45Å; Y193-W208 AromaticContact CE1-CG 3.65Å; Y193-W208 HydrophobicContact CE1-CG 3.65Å; Y193-W208 AromaticContact CE2-CD1 3.94Å; Y193-W208 HydrophobicContact CE2-CG 4.36Å; Y193-W208 HydrophobicContact CG-CB 4.39Å; Y193-W208 AromaticContact CZ-CD1 3.55Å; Y193-W208 AromaticContact CZ-CG 3.62Å; Y193-W208 PolarHBondContact N-O 2.91Å; Y193-W208 WeakPolarHBondContact O-CB 3.45Å; Y193-W208 PolarHBondContact O-N 3.49Å |
| 194 | D | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 26.5 Ų | 26.5 | 40% | 0.401 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.4 | 173.2 | -63.2 | -37.8 | 0 | 0 | 0 | 110.7 | T207 R253 | D194-T207 PolarHBondContact OD1-OG1 2.72Å; D194-R253 WeakPolarHBondContact O-CD 3.21Å; D194-R253 PolarHBondContact O-NH1 2.78Å; D194-R253 VanDerWaalsContact O-NH1 3.09Å |
| 195 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | -157.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | R27 S29 E204 S205 V206 | R27-G195 CarbonylContact O-C 3.5Å; R27-G195 WeakPolarHBondContact O-CA 3.46Å; S29-G195 VanDerWaalsContact OG-CA 3.3Å; S29-G195 WeakPolarHBondContact OG-CA 3.41Å; G195-E204 CarbonylContact O-C 3.49Å; G195-E204 WeakPolarHBondContact O-CA 3.33Å; G195-S205 PolarHBondContact O-N 3.49Å; G195-V206 PolarHBondContact N-O 3.19Å; G195-V206 PolarHBondContact O-N 2.93Å |
| 196 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -124.9 | 171.7 | 179.6 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | R27 Q28 S29 L203 V206 W208 | R27-S196 PolarHBondContact O-N 3.14Å; Q28-S196 WeakPolarHBondContact CA-OG 3.47Å; Q28-S196 PolarHBondContact NE2-OG 2.94Å; S29-S196 WeakPolarHBondContact CB-O 3.38Å; S29-S196 PolarHBondContact N-OG 3.09Å; S29-S196 PolarHBondContact OG-N 2.89Å; S196-L203 CarbonylContact C-O 3.56Å; S196-L203 WeakPolarHBondContact CA-O 3.28Å; S196-L203 VanDerWaalsContact CB-O 3.24Å; S196-L203 WeakPolarHBondContact CB-O 3.5Å; S196-V206 VanDerWaalsContact C-CG2 3.46Å; S196-W208 PolarHBondContact O-NE1 2.95Å | ||
| 197 | L | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 22 Ų | 22 | 17% | 0.173 | 12% | 0.124 | C | C | . | . | trans | -56.9 | 144 | 153.2 | -63.8 | 174.8 | 0 | 0 | 0 | 109.3 | L140 T199 L202 L203 V206 | L140-L197 HydrophobicContact CD1-CD2 3.78Å; L140-L197 HydrophobicContact CD1-CG 4.34Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-L202 WeakPolarHBondContact O-CD2 3.18Å; L197-L203 HydrophobicContact CD1-CB 4.25Å; L197-L203 HydrophobicContact CD1-CD1 4.48Å; L197-L203 PolarHBondContact N-O 2.64Å; L197-V206 HydrophobicContact CD2-CG2 4.01Å; L197-V206 HydrophobicContact CG-CG2 4.27Å | ||
| 198 | T | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -91.7 | -2.1 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | W16 P30 E106 W208 R245 | W16-T198 VanDerWaalsContact CZ3-O 3.23Å; W16-T198 WeakPolarHBondContact CZ3-O 3.4Å; P30-T198 HydrophobicContact CB-CG2 4.44Å; E106-T198 WeakPolarHBondContact OE1-CB 3.23Å; E106-T198 WeakPolarHBondContact OE2-CB 2.96Å; E106-T198 WeakPolarHBondContact OE2-CG2 3.44Å; E106-T198 PolarHBondContact OE2-OG1 3.41Å; T198-W208 HydrophobicContact CG2-CH2 4.32Å; T198-W208 HydrophobicContact CG2-CZ2 3.79Å; T198-R245 WeakPolarHBondContact O-CD 3.44Å |
| 199 | T | 97.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 17.8 Ų | 17.8 | 20% | 0.202 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -121.3 | 153.2 | 173 | 63.2 | 0 | 0 | 0 | 0 | 111 | W5 L197 L202 | W5-T199 VanDerWaalsContact CH2-CB 3.45Å; W5-T199 HydrophobicContact CH2-CG2 3.56Å; W5-T199 HydrophobicContact CZ2-CG2 4.38Å; W5-T199 HydrophobicContact CZ3-CG2 4.15Å; L197-T199 VanDerWaalsContact C-N 3.33Å; T199-L202 WeakPolarHBondContact O-CA 3.24Å; T199-L202 WeakPolarHBondContact O-CD2 3.39Å; T199-L202 PolarHBondContact O-N 2.67Å |
| 200 | P | 97.1 | Very high | 98.4 | Very high | 13 Ų | 13 | 14.9 Ų | 14.9 | 8% | 0.084 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | 134.3 | 167.8 | -33.4 | 40.7 | 0 | 0 | 0 | 113.1 | W5 W16 F20 L202 | W5-P200 HydrophobicContact CB-CG 4.06Å; W5-P200 HydrophobicContact CD2-CB 4.02Å; W5-P200 HydrophobicContact CD2-CG 3.54Å; W5-P200 HydrophobicContact CE3-CG 3.95Å; W5-P200 HydrophobicContact CG-CB 3.91Å; W5-P200 HydrophobicContact CG-CG 3.57Å; W16-P200 HydrophobicContact CD2-CG 3.73Å; W16-P200 HydrophobicContact CE3-CG 3.99Å; W16-P200 HydrophobicContact CG-CG 3.98Å; F20-P200 HydrophobicContact CD1-CB 3.9Å; F20-P200 HydrophobicContact CD2-CB 3.73Å; F20-P200 HydrophobicContact CD2-CG 3.8Å; F20-P200 HydrophobicContact CE1-CB 3.81Å; F20-P200 HydrophobicContact CE2-CB 3.66Å; F20-P200 HydrophobicContact CE2-CG 3.9Å; F20-P200 HydrophobicContact CG-CB 3.85Å; F20-P200 HydrophobicContact CG-CG 4.27Å; F20-P200 HydrophobicContact CZ-CB 3.7Å; F20-P200 HydrophobicContact CZ-CG 4.42Å; P200-L202 HydrophobicContact CG-CG 4.49Å |
| 201 | P | 96.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 14.7 Ų | 14.7 | 41% | 0.409 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.3 | 14.6 | 12.2 | 30.7 | -27.7 | 0 | 0 | 0 | 116.2 | F20 L203 | F20-P201 HydrophobicContact CD1-CB 4.13Å; P201-L203 VanDerWaalsContact C-N 3.29Å; P201-L203 HydrophobicContact CG-CD1 4.08Å; P201-L203 HydrophobicContact CG-CG 3.98Å; P201-L203 PolarHBondContact O-N 2.86Å |
| 202 | L | 97.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | 61.3 | 32.8 | 171.2 | -54.6 | 164.8 | 0 | 0 | 0 | 114.2 | W16 F20 A23 Q28 L197 T199 P200 E204 | W16-L202 HydrophobicContact CB-CD1 4.33Å; W16-L202 HydrophobicContact CE3-CD1 3.92Å; W16-L202 HydrophobicContact CE3-CD2 4.01Å; W16-L202 HydrophobicContact CE3-CG 4.47Å; W16-L202 HydrophobicContact CZ3-CD2 4Å; F20-L202 HydrophobicContact CB-CD1 4.38Å; A23-L202 VanDerWaalsContact CA-CD1 3.41Å; A23-L202 HydrophobicContact CB-CD1 3.32Å; Q28-L202 PolarHBondContact NE2-O 2.67Å; L197-L202 WeakPolarHBondContact O-CD2 3.18Å; T199-L202 WeakPolarHBondContact O-CA 3.24Å; T199-L202 WeakPolarHBondContact O-CD2 3.39Å; T199-L202 PolarHBondContact O-N 2.67Å; P200-L202 HydrophobicContact CG-CG 4.49Å; L202-E204 PolarHBondContact O-N 2.97Å | ||
| 203 | L | 98 | Very high | 98.4 | Very high | 31 Ų | 31 | 23.8 Ų | 23.8 | 16% | 0.162 | 12% | 0.12 | C | C | . | . | trans | -59.5 | 132.1 | -179.2 | -61.7 | 170.1 | 0 | 0 | 0 | 111 | L22 A134 S196 L197 P201 S205 | L22-L203 HydrophobicContact CD1-CD2 3.81Å; A134-L203 HydrophobicContact CB-CD1 4.12Å; A134-L203 WeakPolarHBondContact O-CB 3.46Å; A134-L203 WeakPolarHBondContact O-CD1 3.38Å; S196-L203 CarbonylContact C-O 3.56Å; S196-L203 WeakPolarHBondContact CA-O 3.28Å; S196-L203 VanDerWaalsContact CB-O 3.24Å; S196-L203 WeakPolarHBondContact CB-O 3.5Å; L197-L203 HydrophobicContact CD1-CB 4.25Å; L197-L203 HydrophobicContact CD1-CD1 4.48Å; L197-L203 PolarHBondContact N-O 2.64Å; P201-L203 VanDerWaalsContact C-N 3.29Å; P201-L203 HydrophobicContact CG-CD1 4.08Å; P201-L203 HydrophobicContact CG-CG 3.98Å; P201-L203 PolarHBondContact O-N 2.86Å; L203-S205 PolarHBondContact O-N 3.48Å | ||
| 204 | E | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -83.9 | 59.6 | 179.2 | -58.9 | -168.2 | 158.9 | 0 | 0 | 112.1 | G25 P26 R27 G195 L202 | G25-E204 WeakPolarHBondContact CA-OE1 3.22Å; P26-E204 WeakPolarHBondContact CD-OE1 3.41Å; R27-E204 WeakPolarHBondContact CA-OE1 3.31Å; R27-E204 HydrophobicContact CB-CB 4.43Å; R27-E204 HydrophobicContact CB-CG 4.31Å; R27-E204 IonicContact CZ-OE2 3.19Å; R27-E204 PolarHBondContact N-OE1 2.73Å; R27-E204 IonicContact NE-OE2 3.96Å; R27-E204 PolarHBondContact NE-OE2 2.88Å; R27-E204 PolarHBondContact NH2-O 3.21Å; R27-E204 IonicContact NH2-OE2 3.87Å; G195-E204 CarbonylContact O-C 3.49Å; G195-E204 WeakPolarHBondContact O-CA 3.33Å; L202-E204 PolarHBondContact O-N 2.97Å |
| 205 | S | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | trans | -120.3 | 6.9 | -170.8 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | A134 K136 G139 L140 G195 L203 | A134-S205 WeakPolarHBondContact O-CB 3.45Å; A134-S205 PolarHBondContact O-OG 2.67Å; K136-S205 WeakPolarHBondContact O-CA 3.18Å; K136-S205 WeakPolarHBondContact O-CB 3.4Å; G139-S205 PolarHBondContact N-O 3.27Å; L140-S205 PolarHBondContact N-O 3.08Å; G195-S205 PolarHBondContact O-N 3.49Å; L203-S205 PolarHBondContact O-N 3.48Å | ||
| 206 | V | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.2 | -167.7 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | L140 V142 G195 S196 L197 W208 | L140-V206 HydrophobicContact CB-CG2 4.04Å; L140-V206 HydrophobicContact CD1-CG2 4.14Å; L140-V206 WeakPolarHBondContact O-CA 3.43Å; V142-V206 HydrophobicContact CB-CG1 3.83Å; V142-V206 HydrophobicContact CG2-CG1 3.53Å; V142-V206 HydrophobicContact CG2-CG2 4.49Å; G195-V206 PolarHBondContact N-O 3.19Å; G195-V206 PolarHBondContact O-N 2.93Å; S196-V206 VanDerWaalsContact C-CG2 3.46Å; L197-V206 HydrophobicContact CD2-CG2 4.01Å; L197-V206 HydrophobicContact CG-CG2 4.27Å; V206-W208 HydrophobicContact CG1-CD2 4.15Å; V206-W208 HydrophobicContact CG1-CG 4.01Å; V206-W208 HydrophobicContact CG1-CZ2 4.42Å; V206-W208 PolarHBondContact O-N 2.85Å |
| 207 | T | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.1 | 158.3 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | P83 I84 L140 A141 V142 D194 | P83-T207 HydrophobicContact CB-CG2 4.38Å; P83-T207 HydrophobicContact CG-CG2 3.95Å; I84-T207 HydrophobicContact CG2-CG2 3.85Å; L140-T207 PolarHBondContact O-N 3.18Å; A141-T207 WeakPolarHBondContact CA-O 3.37Å; V142-T207 PolarHBondContact N-O 3.12Å; V142-T207 VanDerWaalsContact N-O 3.15Å; D194-T207 PolarHBondContact OD1-OG1 2.72Å |
| 208 | W | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.9 | 179.1 | -82.8 | 91.2 | 0 | 0 | 0 | 111.6 | S29 H107 H119 V142 T192 Y193 S196 T198 V206 V210 | S29-W208 PolarHBondContact OG-NE1 2.97Å; H107-W208 AromaticContact CE1-CD2 3.7Å; H107-W208 AromaticContact CE1-CE2 3.99Å; H107-W208 AromaticContact CE1-CE3 3.43Å; H107-W208 VanDerWaalsContact CE1-CE3 3.43Å; H107-W208 AromaticContact CE1-CH2 3.85Å; H107-W208 AromaticContact CE1-CZ3 3.5Å; H119-W208 AromaticContact CD2-CH2 3.76Å; H119-W208 AromaticContact CD2-CZ3 3.71Å; H119-W208 AromaticContact CE1-CH2 3.39Å; H119-W208 WeakPolarHBondContact CE1-CH2 3.35Å; H119-W208 AromaticContact CG-CH2 3.92Å; H119-W208 AromaticContact ND1-CH2 3.67Å; H119-W208 AromaticContact NE2-CH2 3.43Å; H119-W208 WeakPolarHBondContact NE2-CH2 3.46Å; H119-W208 AromaticContact NE2-CZ3 3.61Å; V142-W208 HydrophobicContact CB-CD2 4.38Å; V142-W208 HydrophobicContact CB-CE3 4.07Å; V142-W208 HydrophobicContact CB-CH2 4.06Å; V142-W208 HydrophobicContact CB-CZ2 4.37Å; V142-W208 HydrophobicContact CB-CZ3 3.92Å; V142-W208 HydrophobicContact CG1-CE3 4.03Å; V142-W208 HydrophobicContact CG1-CH2 3.55Å; V142-W208 HydrophobicContact CG1-CZ2 4.31Å; V142-W208 HydrophobicContact CG1-CZ3 3.4Å; V142-W208 VanDerWaalsContact CG1-CZ3 3.4Å; T192-W208 WeakPolarHBondContact CA-O 3.21Å; T192-W208 VanDerWaalsContact CB-O 3.24Å; T192-W208 WeakPolarHBondContact CB-O 3.14Å; T192-W208 PolarHBondContact OG1-O 3.3Å; Y193-W208 HydrophobicContact CD1-CB 3.68Å; Y193-W208 HydrophobicContact CD1-CG 4.38Å; Y193-W208 HydrophobicContact CE1-CB 3.37Å; Y193-W208 HydrophobicContact CE1-CD2 4.45Å; Y193-W208 AromaticContact CE1-CG 3.65Å; Y193-W208 HydrophobicContact CE1-CG 3.65Å; Y193-W208 AromaticContact CE2-CD1 3.94Å; Y193-W208 HydrophobicContact CE2-CG 4.36Å; Y193-W208 HydrophobicContact CG-CB 4.39Å; Y193-W208 AromaticContact CZ-CD1 3.55Å; Y193-W208 AromaticContact CZ-CG 3.62Å; Y193-W208 PolarHBondContact N-O 2.91Å; Y193-W208 WeakPolarHBondContact O-CB 3.45Å; Y193-W208 PolarHBondContact O-N 3.49Å; S196-W208 PolarHBondContact O-NE1 2.95Å; T198-W208 HydrophobicContact CG2-CH2 4.32Å; T198-W208 HydrophobicContact CG2-CZ2 3.79Å; V206-W208 HydrophobicContact CG1-CD2 4.15Å; V206-W208 HydrophobicContact CG1-CG 4.01Å; V206-W208 HydrophobicContact CG1-CZ2 4.42Å; V206-W208 PolarHBondContact O-N 2.85Å; W208-V210 HydrophobicContact CE3-CG2 4.08Å |
| 209 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 92.4 | 174 | -62.8 | 161.1 | 0 | 0 | 0 | 106.6 | L47 L79 P83 V142 V143 G144 Y190 W191 L211 | L47-I209 HydrophobicContact CD1-CG2 3.56Å; L47-I209 HydrophobicContact CD2-CD1 3.89Å; L47-I209 HydrophobicContact CD2-CG2 3.83Å; L47-I209 HydrophobicContact CG-CG2 4.32Å; L79-I209 HydrophobicContact CD2-CD1 3.88Å; P83-I209 HydrophobicContact CG-CD1 3.98Å; P83-I209 HydrophobicContact CG-CG1 3.65Å; V142-I209 PolarHBondContact O-N 3.2Å; V143-I209 CarbonylContact C-O 3.56Å; V143-I209 VanDerWaalsContact CA-O 3.27Å; V143-I209 WeakPolarHBondContact CA-O 3.3Å; V143-I209 HydrophobicContact CG2-CB 4.25Å; V143-I209 HydrophobicContact CG2-CD1 4.4Å; V143-I209 HydrophobicContact CG2-CG2 4.32Å; G144-I209 PolarHBondContact N-O 3.34Å; Y190-I209 HydrophobicContact CD2-CG2 3.88Å; Y190-I209 HydrophobicContact CG-CG2 3.87Å; W191-I209 CarbonylContact O-C 3.47Å; W191-I209 WeakPolarHBondContact O-CA 3.18Å; I209-L211 HydrophobicContact CG2-CD2 4.24Å |
| 210 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 111.7 | -176.7 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | I33 F146 Y190 W191 W208 | I33-V210 HydrophobicContact CD1-CB 3.99Å; I33-V210 HydrophobicContact CD1-CG1 3.94Å; I33-V210 HydrophobicContact CD1-CG2 4.23Å; F146-V210 HydrophobicContact CD2-CG1 4.37Å; F146-V210 HydrophobicContact CE2-CG1 3.48Å; F146-V210 VanDerWaalsContact CE2-CG1 3.48Å; F146-V210 HydrophobicContact CZ-CG1 3.8Å; Y190-V210 CarbonylContact C-O 3.47Å; Y190-V210 VanDerWaalsContact CA-O 3.31Å; Y190-V210 WeakPolarHBondContact CA-O 3.46Å; W191-V210 PolarHBondContact N-O 2.85Å; W191-V210 PolarHBondContact O-N 2.94Å; W208-V210 HydrophobicContact CE3-CG2 4.08Å |
| 211 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.8 | -179.3 | -58.4 | -165.7 | 0 | 0 | 0 | 110.6 | L47 V143 G144 I145 L184 P185 L188 D189 I209 | L47-L211 HydrophobicContact CD1-CD2 3.75Å; V143-L211 HydrophobicContact CG1-CD1 4.18Å; V143-L211 HydrophobicContact CG1-CD2 4.21Å; V143-L211 HydrophobicContact CG1-CG 3.96Å; G144-L211 PolarHBondContact O-N 3.06Å; I145-L211 HydrophobicContact CD1-CD1 4.27Å; I145-L211 HydrophobicContact CG1-CD1 3.9Å; I145-L211 HydrophobicContact CG1-CG 4.15Å; L184-L211 HydrophobicContact CD2-CD1 4.39Å; P185-L211 HydrophobicContact CG-CB 4.4Å; P185-L211 HydrophobicContact CG-CD1 3.59Å; L188-L211 HydrophobicContact CD2-CD1 3.79Å; D189-L211 WeakPolarHBondContact O-CA 3.39Å; I209-L211 HydrophobicContact CG2-CD2 4.24Å |
| 212 | R | 98.5 | Very high | 98.6 | Very high | 121 Ų | 121 | 23.8 Ų | 23.8 | 46% | 0.457 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -70.2 | -40.9 | -180 | 174.5 | -176.7 | 168.7 | 177.2 | -3.6 | 112.2 | D189 W191 P214 F259 | D189-R212 HydrophobicContact CB-CB 4.34Å; D189-R212 WeakPolarHBondContact O-CB 3.29Å; D189-R212 PolarHBondContact O-N 3.26Å; W191-R212 HydrophobicContact CE3-CB 4.43Å; W191-R212 HydrophobicContact CH2-CB 4.03Å; W191-R212 HydrophobicContact CH2-CG 3.82Å; W191-R212 HydrophobicContact CZ2-CG 4.44Å; W191-R212 HydrophobicContact CZ3-CB 3.9Å; W191-R212 HydrophobicContact CZ3-CG 4.18Å; R212-P214 WeakPolarHBondContact O-CD 3.1Å; R212-F259 HydrophobicContact CB-CE1 4.07Å; R212-F259 HydrophobicContact CB-CZ 4.33Å; R212-F259 HydrophobicContact CG-CE1 4.44Å; R212-F259 HydrophobicContact CG-CZ 4.24Å; R212-F259 VanDerWaalsContact NH1-CE2 3.32Å |
| 213 | E | 98.7 | Very high | 98.7 | Very high | 79 Ų | 79 | 26.4 Ų | 26.4 | 37% | 0.369 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -84.5 | 120 | -176.8 | -173 | -179.5 | 169.7 | 0 | 0 | 110.6 | P185 S187 | P185-E213 HydrophobicContact CB-CB 3.83Å; P185-E213 HydrophobicContact CB-CG 3.82Å; P185-E213 WeakPolarHBondContact CB-O 3.37Å; P185-E213 HydrophobicContact CG-CB 4.25Å; P185-E213 WeakPolarHBondContact CG-O 3.45Å; S187-E213 WeakPolarHBondContact CA-OE2 3.43Å; S187-E213 WeakPolarHBondContact CB-OE2 3.5Å; S187-E213 PolarHBondContact N-OE2 3.29Å |
| 214 | P | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 28.7 Ų | 28.7 | 16% | 0.156 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -77 | 150.4 | 173.4 | 31.6 | -35.2 | 0 | 0 | 0 | 111.5 | F114 F146 K148 R212 | F114-P214 HydrophobicContact CE1-CB 4.18Å; F114-P214 HydrophobicContact CE1-CG 4.27Å; F146-P214 HydrophobicContact CB-CB 3.89Å; F146-P214 CarbonylContact O-C 3.5Å; F146-P214 WeakPolarHBondContact O-CA 3.37Å; F146-P214 WeakPolarHBondContact O-CB 3.4Å; K148-P214 HydrophobicContact CB-CB 4.26Å; K148-P214 HydrophobicContact CB-CG 4.45Å; K148-P214 HydrophobicContact CD-CB 4.2Å; K148-P214 HydrophobicContact CD-CG 3.58Å; K148-P214 HydrophobicContact CG-CB 4.06Å; K148-P214 HydrophobicContact CG-CG 4.01Å; R212-P214 WeakPolarHBondContact O-CD 3.1Å |
| 215 | I | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 154.9 | 165.6 | 66.7 | 178 | 0 | 0 | 0 | 110.6 | I145 F146 L147 K148 P185 | I145-I215 HydrophobicContact CG2-CD1 4.44Å; I145-I215 HydrophobicContact CG2-CG1 4.25Å; I145-I215 HydrophobicContact CG2-CG2 4.04Å; F146-I215 PolarHBondContact O-N 3.33Å; L147-I215 CarbonylContact C-O 3.59Å; L147-I215 WeakPolarHBondContact CA-O 3.44Å; L147-I215 HydrophobicContact CD1-CD1 4.35Å; L147-I215 HydrophobicContact CD1-CG1 4.34Å; L147-I215 HydrophobicContact CD2-CD1 4.49Å; L147-I215 HydrophobicContact CG-CD1 4Å; L147-I215 HydrophobicContact CG-CG1 3.77Å; K148-I215 PolarHBondContact N-O 3.17Å; P185-I215 HydrophobicContact CB-CG2 3.97Å |
| 216 | S | 98.4 | Very high | 98.7 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 152.3 | 176.6 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | K148 G150 A151 N153 | K148-S216 CarbonylContact O-C 3.55Å; K148-S216 WeakPolarHBondContact O-CA 3.49Å; G150-S216 VanDerWaalsContact C-OG 3.31Å; G150-S216 WeakPolarHBondContact CA-OG 3.37Å; A151-S216 PolarHBondContact N-OG 3.14Å; A151-S216 WeakPolarHBondContact O-CB 3.42Å; A151-S216 PolarHBondContact O-OG 3.03Å; N153-S216 WeakPolarHBondContact CB-O 3.18Å; N153-S216 PolarHBondContact ND2-O 3.26Å; N153-S216 VanDerWaalsContact ND2-O 3.15Å |
| 217 | V | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.2 | 167.6 | 65 | 0 | 0 | 0 | 0 | 108.8 | P115 L147 K148 I149 G150 L156 Q221 M222 | P115-V217 HydrophobicContact CG-CG1 4.49Å; L147-V217 HydrophobicContact CB-CB 4.41Å; L147-V217 HydrophobicContact CB-CG1 3.84Å; L147-V217 HydrophobicContact CD2-CB 4.11Å; L147-V217 HydrophobicContact CD2-CG1 4.24Å; L147-V217 HydrophobicContact CD2-CG2 4.35Å; K148-V217 PolarHBondContact O-N 2.99Å; I149-V217 CarbonylContact C-O 3.55Å; I149-V217 WeakPolarHBondContact CA-O 3.43Å; I149-V217 HydrophobicContact CD1-CG1 4.29Å; G150-V217 PolarHBondContact N-O 3.35Å; L156-V217 HydrophobicContact CD1-CB 4.34Å; L156-V217 HydrophobicContact CD1-CG2 3.97Å; V217-Q221 HydrophobicContact CG2-CB 3.6Å; V217-M222 HydrophobicContact CG1-CG 3.84Å; V217-M222 HydrophobicContact CG1-SD 3.82Å; V217-M222 HydrophobicContact CG2-CG 3.98Å; V217-M222 HydrophobicContact CG2-SD 3.93Å |
| 218 | S | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | trans | -84.9 | 158.5 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 112 | A220 Q221 M222 | S218-A220 PolarHBondContact O-N 2.92Å; S218-Q221 PolarHBondContact O-N 3.47Å; S218-Q221 WeakPolarHBondContact OG-CG 3.4Å; S218-Q221 PolarHBondContact OG-N 2.86Å; S218-M222 PolarHBondContact O-N 3.1Å | ||
| 219 | P | 98.6 | Very high | 98.7 | Very high | 64 Ų | 64 | 31.5 Ų | 31.5 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.1 | -36 | 173.2 | -27.1 | 36.3 | 0 | 0 | 0 | 113.1 | I149 M222 A223 | I149-P219 HydrophobicContact CG2-CG 3.92Å; P219-M222 PolarHBondContact O-N 3.3Å; P219-A223 PolarHBondContact O-N 3.45Å |
| 220 | A | 98.7 | Very high | 98.6 | Very high | 71 Ų | 71 | 33.3 Ų | 33.3 | 59% | 0.587 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.5 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S218 A223 K224 | S218-A220 PolarHBondContact O-N 2.92Å; A220-A223 PolarHBondContact O-N 2.9Å; A220-K224 PolarHBondContact O-N 2.98Å |
| 221 | Q | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 173.2 | -68.1 | -178.7 | -50.8 | 0 | 0 | 110.6 | N153 L160 V217 S218 A223 K224 F225 | N153-Q221 PolarHBondContact O-NE2 3.11Å; L160-Q221 HydrophobicContact CD1-CB 3.81Å; L160-Q221 HydrophobicContact CD1-CG 3.47Å; L160-Q221 VanDerWaalsContact CD1-CG 3.47Å; V217-Q221 HydrophobicContact CG2-CB 3.6Å; S218-Q221 PolarHBondContact O-N 3.47Å; S218-Q221 WeakPolarHBondContact OG-CG 3.4Å; S218-Q221 PolarHBondContact OG-N 2.86Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.38Å; Q221-K224 WeakPolarHBondContact O-CB 3.3Å; Q221-K224 PolarHBondContact O-N 3.03Å; Q221-K224 VanDerWaalsContact O-N 3.08Å; Q221-F225 WeakPolarHBondContact O-CD2 3.4Å; Q221-F225 PolarHBondContact O-N 3.26Å |
| 222 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | 174.5 | -74.5 | -53.2 | -53.6 | 0 | 0 | 112.9 | W97 P115 C116 I149 V217 S218 P219 K224 F225 R226 | W97-M222 HydrophobicContact CB-CE 3.81Å; P115-M222 HydrophobicContact CB-CE 4.28Å; P115-M222 HydrophobicContact CB-SD 4.43Å; C116-M222 HydrophobicContact CB-CE 3.79Å; C116-M222 HydrophobicContact CB-SD 3.89Å; I149-M222 HydrophobicContact CD1-CG 3.95Å; V217-M222 HydrophobicContact CG1-CG 3.84Å; V217-M222 HydrophobicContact CG1-SD 3.82Å; V217-M222 HydrophobicContact CG2-CG 3.98Å; V217-M222 HydrophobicContact CG2-SD 3.93Å; S218-M222 PolarHBondContact O-N 3.1Å; P219-M222 PolarHBondContact O-N 3.3Å; M222-K224 PolarHBondContact O-N 2.85Å; M222-F225 WeakPolarHBondContact O-CB 3.48Å; M222-F225 PolarHBondContact O-N 3.02Å; M222-F225 VanDerWaalsContact O-N 3.17Å; M222-R226 WeakPolarHBondContact O-CG 3.48Å; M222-R226 PolarHBondContact O-N 3.33Å; M222-R226 VanDerWaalsContact O-N 3.1Å |
| 223 | A | 98.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 45% | 0.446 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -32.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P219 A220 Q221 R226 S227 | P219-A223 PolarHBondContact O-N 3.45Å; A220-A223 PolarHBondContact O-N 2.9Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.38Å; A223-R226 PolarHBondContact O-N 2.75Å; A223-S227 PolarHBondContact O-N 2.96Å |
| 224 | K | 98.6 | Very high | 98 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 173.9 | -75.7 | -69.7 | -162 | 165.6 | 0 | 112.2 | L160 L163 D164 A220 Q221 M222 R226 S227 | L160-K224 HydrophobicContact CD2-CB 3.77Å; L163-K224 HydrophobicContact CD1-CB 4.43Å; D164-K224 IonicContact OD1-NZ 2.69Å; D164-K224 PolarHBondContact OD1-NZ 2.88Å; D164-K224 IonicContact OD2-NZ 3.15Å; D164-K224 PolarHBondContact OD2-NZ 2.88Å; A220-K224 PolarHBondContact O-N 2.98Å; Q221-K224 WeakPolarHBondContact O-CB 3.3Å; Q221-K224 PolarHBondContact O-N 3.03Å; Q221-K224 VanDerWaalsContact O-N 3.08Å; M222-K224 PolarHBondContact O-N 2.85Å; K224-R226 PolarHBondContact O-N 3.23Å; K224-S227 WeakPolarHBondContact O-CB 3.4Å; K224-S227 PolarHBondContact O-N 2.99Å; K224-S227 PolarHBondContact O-OG 3.06Å |
| 225 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 174 | -76.1 | -117.8 | 0 | 0 | 0 | 111.1 | F66 F95 W97 L160 L163 Q221 M222 S227 L228 | F66-F225 AromaticContact CE1-CD1 3.7Å; F66-F225 HydrophobicContact CE1-CD1 3.7Å; F66-F225 AromaticContact CE1-CE1 3.6Å; F66-F225 HydrophobicContact CE1-CE1 3.6Å; F66-F225 HydrophobicContact CE1-CZ 4.38Å; F66-F225 HydrophobicContact CZ-CD1 4.26Å; F66-F225 AromaticContact CZ-CE1 3.68Å; F66-F225 HydrophobicContact CZ-CE1 3.68Å; F66-F225 HydrophobicContact CZ-CZ 4.16Å; F95-F225 HydrophobicContact CB-CD1 4.45Å; F95-F225 HydrophobicContact CB-CE1 3.96Å; F95-F225 AromaticContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CZ 4.34Å; F95-F225 AromaticContact CD2-CE1 3.99Å; F95-F225 HydrophobicContact CD2-CE1 3.99Å; F95-F225 HydrophobicContact CE1-CE1 4.23Å; F95-F225 HydrophobicContact CE1-CZ 4.28Å; F95-F225 HydrophobicContact CE2-CE1 4.38Å; F95-F225 AromaticContact CG-CE1 3.7Å; F95-F225 HydrophobicContact CG-CE1 3.7Å; F95-F225 HydrophobicContact CG-CZ 4.49Å; F95-F225 HydrophobicContact CZ-CE1 4.5Å; F95-F225 HydrophobicContact CZ-CZ 4.41Å; W97-F225 HydrophobicContact CD2-CB 4.14Å; W97-F225 HydrophobicContact CD2-CD1 4.05Å; W97-F225 AromaticContact CE3-CD1 3.8Å; W97-F225 HydrophobicContact CE3-CD1 3.8Å; W97-F225 HydrophobicContact CG-CB 4.24Å; W97-F225 HydrophobicContact CZ3-CD1 4.15Å; L160-F225 HydrophobicContact CD2-CD2 3.68Å; L160-F225 HydrophobicContact CD2-CE2 3.4Å; L160-F225 HydrophobicContact CD2-CZ 4.49Å; L160-F225 HydrophobicContact CG-CE2 4.4Å; L163-F225 HydrophobicContact CD1-CD2 4.38Å; Q221-F225 WeakPolarHBondContact O-CD2 3.4Å; Q221-F225 PolarHBondContact O-N 3.26Å; M222-F225 WeakPolarHBondContact O-CB 3.48Å; M222-F225 PolarHBondContact O-N 3.02Å; M222-F225 VanDerWaalsContact O-N 3.17Å; F225-S227 PolarHBondContact O-N 2.85Å; F225-S227 VanDerWaalsContact O-N 3.08Å; F225-L228 PolarHBondContact O-N 2.94Å |
| 226 | R | 98.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -7.3 | -179.8 | -62.4 | 175.6 | -175.9 | 135.5 | 7.9 | 114.3 | G98 S100 D101 M222 A223 K224 V241 | G98-R226 PolarHBondContact O-NE 2.89Å; S100-R226 PolarHBondContact O-NH2 3.06Å; D101-R226 IonicContact OD1-CZ 3.89Å; D101-R226 IonicContact OD1-NH1 2.83Å; D101-R226 PolarHBondContact OD1-NH1 3.34Å; D101-R226 IonicContact OD1-NH2 3.63Å; D101-R226 PolarHBondContact OD1-NH2 2.9Å; M222-R226 WeakPolarHBondContact O-CG 3.48Å; M222-R226 PolarHBondContact O-N 3.33Å; M222-R226 VanDerWaalsContact O-N 3.1Å; A223-R226 PolarHBondContact O-N 2.75Å; K224-R226 PolarHBondContact O-N 3.23Å; R226-V241 HydrophobicContact CB-CG1 3.93Å; R226-V241 HydrophobicContact CG-CG1 4.03Å |
| 227 | S | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -12.2 | 179.2 | 79.3 | 0 | 0 | 0 | 0 | 114 | K167 A223 K224 F225 | K167-S227 WeakPolarHBondContact CE-O 3.46Å; A223-S227 PolarHBondContact O-N 2.96Å; K224-S227 WeakPolarHBondContact O-CB 3.4Å; K224-S227 PolarHBondContact O-N 2.99Å; K224-S227 PolarHBondContact O-OG 3.06Å; F225-S227 PolarHBondContact O-N 2.85Å; F225-S227 VanDerWaalsContact O-N 3.08Å |
| 228 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -65.3 | 159.1 | 170.2 | -65.1 | 178.4 | 0 | 0 | 0 | 110.3 | F66 W97 L163 F225 C239 M240 | F66-L228 HydrophobicContact CB-CD1 4.19Å; F66-L228 HydrophobicContact CD1-CD1 3.54Å; F66-L228 HydrophobicContact CE1-CD1 4.38Å; F66-L228 HydrophobicContact CG-CD1 4.27Å; W97-L228 HydrophobicContact CH2-CD1 4.07Å; W97-L228 HydrophobicContact CZ2-CD1 4.13Å; L163-L228 HydrophobicContact CB-CD2 4.14Å; L163-L228 HydrophobicContact CD2-CD1 4.22Å; F225-L228 PolarHBondContact O-N 2.94Å; L228-C239 CarbonylContact O-C 3.5Å; L228-C239 WeakPolarHBondContact O-CA 3.49Å; L228-M240 HydrophobicContact CB-CB 3.98Å; L228-M240 HydrophobicContact CB-SD 4.31Å; L228-M240 HydrophobicContact CD1-SD 4.43Å; L228-M240 WeakPolarHBondContact O-CB 3.46Å; L228-M240 PolarHBondContact O-N 3.29Å |
| 229 | L | 98.5 | Very high | 97.5 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -117.8 | 139.2 | 179.2 | -53.7 | -177.5 | 0 | 0 | 0 | 110.7 | N61 K167 T168 T231 A237 C238 M240 | N61-L229 PolarHBondContact ND2-O 3.15Å; K167-L229 HydrophobicContact CG-CG 4.4Å; K167-L229 PolarHBondContact O-N 3.34Å; T168-L229 HydrophobicContact CG2-CB 4.45Å; T168-L229 HydrophobicContact CG2-CD1 3.87Å; L229-T231 PolarHBondContact O-N 3.21Å; L229-A237 HydrophobicContact CD1-CB 4Å; L229-A237 HydrophobicContact CD2-CB 4.38Å; L229-C238 CarbonylContact C-O 3.48Å; L229-C238 WeakPolarHBondContact CA-O 3.46Å; L229-M240 WeakPolarHBondContact O-CE 3.32Å |
| 230 | F | 98 | Very high | 97.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -66 | -25.6 | 167.8 | -73.7 | -60.5 | 0 | 0 | 0 | 111.8 | Y7 G63 K169 C238 C239 M240 V241 N243 | Y7-F230 AromaticContact CD2-CE1 3.95Å; Y7-F230 HydrophobicContact CD2-CE1 3.95Å; Y7-F230 HydrophobicContact CD2-CZ 4.04Å; G63-F230 VanDerWaalsContact O-CD1 3.28Å; G63-F230 WeakPolarHBondContact O-CD1 3.46Å; K169-F230 WeakPolarHBondContact CB-O 3.36Å; F230-C238 PolarHBondContact N-O 3.34Å; F230-C239 VanDerWaalsContact CD2-O 3.32Å; F230-C239 WeakPolarHBondContact CD2-O 3.39Å; F230-C239 WeakPolarHBondContact CE2-O 3.39Å; F230-M240 HydrophobicContact CD1-CB 4.21Å; F230-M240 HydrophobicContact CD1-CE 3.92Å; F230-M240 HydrophobicContact CD1-CG 3.75Å; F230-M240 HydrophobicContact CD2-CB 4.37Å; F230-M240 HydrophobicContact CE1-CB 4.33Å; F230-M240 HydrophobicContact CE1-CE 4.45Å; F230-M240 HydrophobicContact CE1-CG 3.56Å; F230-M240 HydrophobicContact CE2-CB 4.46Å; F230-M240 HydrophobicContact CE2-CG 4.41Å; F230-M240 HydrophobicContact CG-CB 4.25Å; F230-M240 HydrophobicContact CG-CG 4.29Å; F230-M240 HydrophobicContact CZ-CB 4.45Å; F230-M240 HydrophobicContact CZ-CG 3.92Å; F230-V241 WeakPolarHBondContact CE2-O 3.29Å; F230-N243 HydrophobicContact CE1-CB 3.89Å; F230-N243 HydrophobicContact CZ-CB 3.81Å |
| 231 | T | 97.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -95.3 | 156.3 | -173.1 | 48 | 0 | 0 | 0 | 0 | 113.1 | T168 K169 L229 E235 A236 C238 | T168-T231 WeakPolarHBondContact CA-O 3.29Å; T168-T231 WeakPolarHBondContact CB-O 3.47Å; K169-T231 PolarHBondContact N-O 3.15Å; L229-T231 PolarHBondContact O-N 3.21Å; T231-E235 WeakPolarHBondContact CA-OE2 3.22Å; T231-E235 VanDerWaalsContact CB-OE2 3.25Å; T231-E235 WeakPolarHBondContact CB-OE2 3.27Å; T231-E235 HydrophobicContact CG2-CB 4.38Å; T231-A236 WeakPolarHBondContact CB-O 3.41Å; T231-A236 WeakPolarHBondContact CG2-O 3.08Å; T231-A236 PolarHBondContact OG1-O 3.42Å; T231-C238 HydrophobicContact CG2-CB 3.87Å; T231-C238 PolarHBondContact OG1-N 2.86Å |
| 232 | G | 96.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -76 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G234 E235 | G232-G234 PolarHBondContact O-N 2.94Å; G232-E235 PolarHBondContact N-OE2 2.92Å; G232-E235 PolarHBondContact O-N 2.94Å |
| 233 | E | 93.9 | Very high | 97.4 | Very high | 148 Ų | 148 | 49.8 Ų | 49.8 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 132.2 | 172.3 | -174.1 | 168.6 | -159.6 | 0 | 0 | 110.7 | K171 E235 | K171-E233 WeakPolarHBondContact CE-OE2 3.23Å; K171-E233 IonicContact NZ-OE2 2.69Å; K171-E233 PolarHBondContact NZ-OE2 3Å; E233-E235 VanDerWaalsContact C-N 3.3Å |
| 234 | G | 93.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 88% | 0.876 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -7.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G232 | G232-G234 PolarHBondContact O-N 2.94Š|
| 235 | E | 95.4 | Very high | 97.4 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -87.6 | 162.5 | 171.8 | -66.3 | 176.7 | -178.5 | 0 | 0 | 111.4 | T231 G232 E233 A237 | T231-E235 WeakPolarHBondContact CA-OE2 3.22Å; T231-E235 VanDerWaalsContact CB-OE2 3.25Å; T231-E235 WeakPolarHBondContact CB-OE2 3.27Å; T231-E235 HydrophobicContact CG2-CB 4.38Å; G232-E235 PolarHBondContact N-OE2 2.92Å; G232-E235 PolarHBondContact O-N 2.94Å; E233-E235 VanDerWaalsContact C-N 3.3Å; E235-A237 PolarHBondContact O-N 3.17Å |
| 236 | A | 96 | Very high | 97.4 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 127.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T231 C238 | T231-A236 WeakPolarHBondContact CB-O 3.41Å; T231-A236 WeakPolarHBondContact CG2-O 3.08Å; T231-A236 PolarHBondContact OG1-O 3.42Å; A236-C238 PolarHBondContact O-N 3.07Å |
| 237 | A | 96.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 67% | 0.669 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 122.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L229 E235 | L229-A237 HydrophobicContact CD1-CB 4Å; L229-A237 HydrophobicContact CD2-CB 4.38Å; E235-A237 PolarHBondContact O-N 3.17Å |
| 238 | C | 96.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 49 Ų | 49 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | trans | -126.1 | 108.8 | 173.4 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | L229 F230 T231 A236 M240 | L229-C238 CarbonylContact C-O 3.48Å; L229-C238 WeakPolarHBondContact CA-O 3.46Å; F230-C238 PolarHBondContact N-O 3.34Å; T231-C238 HydrophobicContact CG2-CB 3.87Å; T231-C238 PolarHBondContact OG1-N 2.86Å; A236-C238 PolarHBondContact O-N 3.07Å; C238-M240 PolarHBondContact O-N 3.13Å | ||
| 239 | C | 97.7 | Very high | 97.4 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -58.7 | 133.5 | 179.9 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | L228 F230 V241 | L228-C239 CarbonylContact O-C 3.5Å; L228-C239 WeakPolarHBondContact O-CA 3.49Å; F230-C239 VanDerWaalsContact CD2-O 3.32Å; F230-C239 WeakPolarHBondContact CD2-O 3.39Å; F230-C239 WeakPolarHBondContact CE2-O 3.39Å; C239-V241 VanDerWaalsContact C-N 3.32Å; C239-V241 HydrophobicContact CB-CG1 4.28Å; C239-V241 PolarHBondContact O-N 3.03Å |
| 240 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -73.5 | 90 | 173.4 | -170.8 | 175.9 | -69.3 | 0 | 0 | 107.8 | N61 S65 W97 L228 L229 F230 C238 | N61-M240 VanDerWaalsContact OD1-CE 3.29Å; N61-M240 WeakPolarHBondContact OD1-CE 3.35Å; S65-M240 VanDerWaalsContact CA-SD 3.51Å; W97-M240 HydrophobicContact CH2-CG 4.13Å; W97-M240 HydrophobicContact CH2-SD 3.45Å; W97-M240 WeakPolarHBondContact CH2-SD 3.26Å; W97-M240 HydrophobicContact CZ2-CB 4.08Å; W97-M240 HydrophobicContact CZ2-CG 3.46Å; W97-M240 VanDerWaalsContact CZ2-CG 3.46Å; W97-M240 HydrophobicContact CZ2-SD 3.37Å; W97-M240 WeakPolarHBondContact CZ2-SD 3.45Å; W97-M240 PolarHBondContact NE1-O 2.82Å; L228-M240 HydrophobicContact CB-CB 3.98Å; L228-M240 HydrophobicContact CB-SD 4.31Å; L228-M240 HydrophobicContact CD1-SD 4.43Å; L228-M240 WeakPolarHBondContact O-CB 3.46Å; L228-M240 PolarHBondContact O-N 3.29Å; L229-M240 WeakPolarHBondContact O-CE 3.32Å; F230-M240 HydrophobicContact CD1-CB 4.21Å; F230-M240 HydrophobicContact CD1-CE 3.92Å; F230-M240 HydrophobicContact CD1-CG 3.75Å; F230-M240 HydrophobicContact CD2-CB 4.37Å; F230-M240 HydrophobicContact CE1-CB 4.33Å; F230-M240 HydrophobicContact CE1-CE 4.45Å; F230-M240 HydrophobicContact CE1-CG 3.56Å; F230-M240 HydrophobicContact CE2-CB 4.46Å; F230-M240 HydrophobicContact CE2-CG 4.41Å; F230-M240 HydrophobicContact CG-CB 4.25Å; F230-M240 HydrophobicContact CG-CG 4.29Å; F230-M240 HydrophobicContact CZ-CB 4.45Å; F230-M240 HydrophobicContact CZ-CG 3.92Å; C238-M240 PolarHBondContact O-N 3.13Å | ||
| 241 | V | 98.3 | Very high | 97.3 | Very high | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | trans | -135.6 | 153.8 | 175.3 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | R226 F230 C239 N243 | R226-V241 HydrophobicContact CB-CG1 3.93Å; R226-V241 HydrophobicContact CG-CG1 4.03Å; F230-V241 WeakPolarHBondContact CE2-O 3.29Å; C239-V241 VanDerWaalsContact C-N 3.32Å; C239-V241 HydrophobicContact CB-CG1 4.28Å; C239-V241 PolarHBondContact O-N 3.03Å; V241-N243 PolarHBondContact O-N 3.08Å | ||
| 242 | D | 98.5 | Very high | 97.2 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | trans | 58.5 | 37.4 | 179 | -59 | -45.2 | 0 | 0 | 0 | 112.4 | W97 G98 G99 R103 F244 | W97-D242 WeakPolarHBondContact O-CA 3.31Å; W97-D242 PolarHBondContact O-N 2.94Å; W97-D242 VanDerWaalsContact O-N 3.07Å; G98-D242 VanDerWaalsContact CA-OD1 3.28Å; G98-D242 WeakPolarHBondContact CA-OD1 3.45Å; G99-D242 PolarHBondContact N-OD1 3.08Å; R103-D242 IonicContact CZ-OD1 3.7Å; R103-D242 IonicContact CZ-OD2 3.56Å; R103-D242 IonicContact NE-OD1 2.69Å; R103-D242 PolarHBondContact NE-OD1 3.32Å; R103-D242 IonicContact NE-OD2 2.57Å; R103-D242 IonicContact NH2-OD1 3.22Å; R103-D242 PolarHBondContact NH2-OD1 3.11Å; R103-D242 IonicContact NH2-OD2 2.75Å; R103-D242 PolarHBondContact NH2-OD2 2.95Å; D242-F244 HydrophobicContact CB-CD1 4.41Å; D242-F244 HydrophobicContact CB-CE1 3.9Å; D242-F244 PolarHBondContact O-N 3.02Å; D242-F244 WeakPolarHBondContact OD1-CE1 3.2Å | ||
| 243 | N | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 40% | 0.403 | C | S | . | . | trans | -82.1 | 41.1 | 177.8 | 69.4 | -27.4 | 0 | 0 | 0 | 112.4 | Y7 H64 H96 W97 F230 V241 | Y7-N243 HydrophobicContact CD2-CB 3.91Å; Y7-N243 HydrophobicContact CE2-CB 3.73Å; Y7-N243 HydrophobicContact CG-CB 4.47Å; Y7-N243 VanDerWaalsContact CZ-C 3.47Å; Y7-N243 VanDerWaalsContact CZ-O 3.32Å; Y7-N243 PolarHBondContact OH-O 3.21Å; H64-N243 WeakPolarHBondContact O-CB 3.32Å; H64-N243 PolarHBondContact O-ND2 3.5Å; H96-N243 PolarHBondContact ND1-O 2.81Å; W97-N243 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N243 PolarHBondContact N-OD1 2.89Å; W97-N243 PolarHBondContact O-N 3.11Å; W97-N243 PolarHBondContact O-OD1 2.99Å; F230-N243 HydrophobicContact CE1-CB 3.89Å; F230-N243 HydrophobicContact CZ-CB 3.81Å; V241-N243 PolarHBondContact O-N 3.08Å | ||
| 244 | F | 98.7 | Very high | 97.4 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | trans | -125.5 | 141.8 | -176.4 | 64.3 | -97 | 0 | 0 | 0 | 110.9 | H96 R103 G104 E106 D242 | H96-F244 HydrophobicContact CB-CB 4.12Å; R103-F244 HydrophobicContact CG-CE1 4.43Å; R103-F244 HydrophobicContact CG-CZ 4.43Å; G104-F244 WeakPolarHBondContact O-CB 3.47Å; E106-F244 HydrophobicContact CG-CB 3.62Å; D242-F244 HydrophobicContact CB-CD1 4.41Å; D242-F244 HydrophobicContact CB-CE1 3.9Å; D242-F244 PolarHBondContact O-N 3.02Å; D242-F244 WeakPolarHBondContact OD1-CE1 3.2Å | ||
| 245 | R | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 139.1 | 174.7 | -163.8 | -169.5 | -172.3 | -170 | 2.6 | 110.6 | P13 W16 A23 S29 P30 E106 T198 | P13-R245 HydrophobicContact CB-CG 4.11Å; P13-R245 HydrophobicContact CG-CG 4.34Å; W16-R245 HydrophobicContact CH2-CB 4.38Å; W16-R245 HydrophobicContact CH2-CG 4.31Å; W16-R245 HydrophobicContact CZ3-CB 4.25Å; W16-R245 HydrophobicContact CZ3-CG 3.77Å; A23-R245 PolarHBondContact O-NH2 2.87Å; S29-R245 WeakPolarHBondContact O-CD 3.32Å; S29-R245 PolarHBondContact O-NH1 2.87Å; P30-R245 WeakPolarHBondContact CG-O 3.32Å; E106-R245 WeakPolarHBondContact OE1-CB 3.28Å; E106-R245 PolarHBondContact OE1-N 2.96Å; T198-R245 WeakPolarHBondContact O-CD 3.44Å |
| 246 | P | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 152.5 | 171.7 | -24.2 | 33.9 | 0 | 0 | 0 | 113.1 | Q248 | P246-Q248 PolarHBondContact O-N 2.93Å; P246-Q248 PolarHBondContact O-NE2 3.46Å |
| 247 | P | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 132.9 | 171 | -28.2 | 36.1 | 0 | 0 | 0 | 113.1 | T108 | T108-P247 HydrophobicContact CG2-CG 4.18Š|
| 248 | Q | 98.7 | Very high | 98 | Very high | 50 Ų | 50 | 49 Ų | 49 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 163.5 | 176.7 | -54.7 | -60.4 | -58 | 0 | 0 | 110.4 | Q28 P30 P246 L250 | Q28-Q248 HydrophobicContact CB-CB 3.96Å; Q28-Q248 HydrophobicContact CB-CG 3.92Å; P30-Q248 WeakPolarHBondContact O-CB 3.5Å; P30-Q248 PolarHBondContact O-N 3.14Å; P246-Q248 PolarHBondContact O-N 2.93Å; P246-Q248 PolarHBondContact O-NE2 3.46Å; Q248-L250 PolarHBondContact O-N 3.14Å |
| 249 | L | 97.9 | Very high | 98.1 | Very high | 130 Ų | 130 | 47.6 Ų | 47.6 | 68% | 0.681 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 132 | 178.9 | -64.1 | 176.6 | 0 | 0 | 0 | 111.1 | K251 R253 | L249-K251 HydrophobicContact CB-CG 3.92Å; L249-K251 PolarHBondContact O-N 3.06Å; L249-R253 PolarHBondContact O-NH2 2.8Å |
| 250 | L | 97.6 | Very high | 97.7 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | trans | -62.1 | -33.8 | 175.6 | -173 | 63.6 | 0 | 0 | 0 | 111.7 | I31 Q248 R253 V255 | I31-L250 HydrophobicContact CD1-CD1 3.56Å; I31-L250 HydrophobicContact CG2-CD1 4.3Å; Q248-L250 PolarHBondContact O-N 3.14Å; L250-R253 HydrophobicContact CD1-CB 3.96Å; L250-R253 WeakPolarHBondContact CD2-O 3.23Å; L250-R253 HydrophobicContact CG-CB 4.29Å; L250-R253 WeakPolarHBondContact CG-O 3.41Å; L250-R253 WeakPolarHBondContact O-CB 3.33Å; L250-R253 PolarHBondContact O-N 3.15Å; L250-R253 PolarHBondContact O-NE 3.45Å; L250-V255 HydrophobicContact CD1-CG2 4.09Å | ||
| 251 | K | 96.5 | Very high | 97.7 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -143.1 | -176.2 | -63.7 | 176 | 174.3 | 177.5 | 0 | 110 | N24 G25 P26 L249 R253 | N24-K251 PolarHBondContact O-NZ 2.79Å; G25-K251 PolarHBondContact O-NZ 3.42Å; P26-K251 HydrophobicContact CB-CD 4.44Å; P26-K251 VanDerWaalsContact O-CD 3.3Å; P26-K251 WeakPolarHBondContact O-CD 3.48Å; L249-K251 HydrophobicContact CB-CG 3.92Å; L249-K251 PolarHBondContact O-N 3.06Å; K251-R253 PolarHBondContact O-N 3.21Å; K251-R253 VanDerWaalsContact O-N 3.11Å |
| 252 | G | 95.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 91% | 0.907 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 13.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 253 | R | 97.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | trans | -86.3 | 157 | -179.8 | -63.7 | 175.4 | -72.9 | 176.8 | -1.1 | 111 | R27 Q28 D194 L249 L250 K251 | R27-R253 HydrophobicContact CG-CG 4.37Å; R27-R253 PolarHBondContact O-NH1 3.17Å; R27-R253 VanDerWaalsContact O-NH1 3.15Å; Q28-R253 PolarHBondContact O-NH1 3.06Å; Q28-R253 PolarHBondContact O-NH2 3.28Å; D194-R253 WeakPolarHBondContact O-CD 3.21Å; D194-R253 PolarHBondContact O-NH1 2.78Å; D194-R253 VanDerWaalsContact O-NH1 3.09Å; L249-R253 PolarHBondContact O-NH2 2.8Å; L250-R253 HydrophobicContact CD1-CB 3.96Å; L250-R253 WeakPolarHBondContact CD2-O 3.23Å; L250-R253 HydrophobicContact CG-CB 4.29Å; L250-R253 WeakPolarHBondContact CG-O 3.41Å; L250-R253 WeakPolarHBondContact O-CB 3.33Å; L250-R253 PolarHBondContact O-N 3.15Å; L250-R253 PolarHBondContact O-NE 3.45Å; K251-R253 PolarHBondContact O-N 3.21Å; K251-R253 VanDerWaalsContact O-N 3.11Å | ||
| 254 | Q | 97.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | trans | -120.1 | 138.5 | 174 | -177.3 | 178.3 | 69.6 | 0 | 0 | 109.7 | ||||
| 255 | V | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | trans | -90.8 | 127.6 | 170.7 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | I31 I33 A38 Q39 W191 L250 | I31-V255 HydrophobicContact CD1-CG2 3.56Å; I33-V255 HydrophobicContact CG2-CG1 4.27Å; A38-V255 WeakPolarHBondContact CA-O 3.38Å; A38-V255 HydrophobicContact CB-CB 4.33Å; A38-V255 HydrophobicContact CB-CG1 4.14Å; Q39-V255 PolarHBondContact N-O 2.72Å; W191-V255 HydrophobicContact CB-CG1 3.78Å; W191-V255 HydrophobicContact CG-CG1 4.1Å; L250-V255 HydrophobicContact CD1-CG2 4.09Å | ||
| 256 | R | 98.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 68.5 Ų | 68.5 | 25% | 0.253 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 148.2 | 175 | -58.5 | 178.7 | -65.3 | 147.2 | -4.2 | 110.1 | Q39 D41 L44 W191 T192 | Q39-R256 CarbonylContact O-C 3.33Å; Q39-R256 VanDerWaalsContact O-CA 3.27Å; Q39-R256 WeakPolarHBondContact O-CA 3.47Å; D41-R256 HydrophobicContact CB-CB 4.14Å; D41-R256 HydrophobicContact CB-CG 4.45Å; D41-R256 WeakPolarHBondContact OD2-CD 3.38Å; D41-R256 IonicContact OD2-CZ 3.74Å; D41-R256 IonicContact OD2-NE 3.95Å; D41-R256 IonicContact OD2-NH1 2.76Å; D41-R256 PolarHBondContact OD2-NH1 2.78Å; L44-R256 HydrophobicContact CD1-CB 4.07Å; W191-R256 CarbonylContact C-O 3.48Å; W191-R256 WeakPolarHBondContact CA-O 3.35Å; T192-R256 HydrophobicContact CG2-CB 3.93Å; T192-R256 PolarHBondContact N-O 3.27Å; T192-R256 PolarHBondContact O-N 3.18Å |
| 257 | A | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q39 Y40 D41 F259 | Q39-A257 PolarHBondContact O-N 2.81Å; Y40-A257 WeakPolarHBondContact CA-O 3.46Å; Y40-A257 WeakPolarHBondContact CD2-O 3.39Å; D41-A257 PolarHBondContact N-O 2.94Å; A257-F259 HydrophobicContact CB-CD1 4.34Å; A257-F259 HydrophobicContact CB-CE1 4.1Å; A257-F259 HydrophobicContact CB-CZ 4.2Å; A257-F259 PolarHBondContact O-N 3.31Å |
| 258 | S | 98.7 | Very high | 97.2 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -80.1 | -2.3 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | Y190 | Y190-S258 WeakPolarHBondContact CD1-OG 3.25Å; Y190-S258 VanDerWaalsContact CE1-CB 3.48Å; Y190-S258 PolarHBondContact N-OG 3.17Å; Y190-S258 PolarHBondContact O-N 3.49Å; Y190-S258 PolarHBondContact O-OG 2.69Å |
| 259 | F | 97.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | trans | -134.8 | 158.8 | -172.6 | 59.7 | -88.8 | 0 | 0 | 0 | 110.4 | Y40 D189 W191 R212 A257 | Y40-F259 WeakPolarHBondContact CD2-O 3.38Å; D189-F259 HydrophobicContact CB-CB 4.34Å; D189-F259 HydrophobicContact CB-CD1 3.69Å; D189-F259 HydrophobicContact CB-CE1 4.37Å; D189-F259 HydrophobicContact CB-CG 4.23Å; W191-F259 HydrophobicContact CD2-CE1 4.34Å; W191-F259 HydrophobicContact CD2-CZ 4.22Å; W191-F259 AromaticContact CE2-CZ 3.48Å; W191-F259 VanDerWaalsContact CE2-CZ 3.48Å; W191-F259 HydrophobicContact CH2-CZ 4.34Å; W191-F259 HydrophobicContact CZ2-CE1 4.38Å; W191-F259 HydrophobicContact CZ2-CE2 4.44Å; W191-F259 AromaticContact CZ2-CZ 3.56Å; W191-F259 HydrophobicContact CZ2-CZ 3.56Å; W191-F259 AromaticContact NE1-CZ 3.51Å; R212-F259 HydrophobicContact CB-CE1 4.07Å; R212-F259 HydrophobicContact CB-CZ 4.33Å; R212-F259 HydrophobicContact CG-CE1 4.44Å; R212-F259 HydrophobicContact CG-CZ 4.24Å; R212-F259 VanDerWaalsContact NH1-CE2 3.32Å; A257-F259 HydrophobicContact CB-CD1 4.34Å; A257-F259 HydrophobicContact CB-CE1 4.1Å; A257-F259 HydrophobicContact CB-CZ 4.2Å; A257-F259 PolarHBondContact O-N 3.31Å | ||
| 260 | K | 90.9 | Very high | 97.1 | Very high | 219 Ų | 219 | 66.5 Ų | 66.5 | 95% | 0.952 | 35% | 0.347 | S | S | * | . | trans | -86.8 | 0 | 175.7 | -67.6 | -176.5 | 178.8 | -177.5 | 0 | 111.9 | Y40 | Y40-K260 HydrophobicContact CD1-CD 4.45Å; Y40-K260 HydrophobicContact CD1-CG 3.71Å; Y40-K260 HydrophobicContact CD2-CG 4.15Å; Y40-K260 HydrophobicContact CE1-CD 4.28Å; Y40-K260 VanDerWaalsContact CE1-CE 3.46Å; Y40-K260 HydrophobicContact CE1-CG 3.79Å; Y40-K260 HydrophobicContact CE2-CG 4.24Å; Y40-K260 HydrophobicContact CG-CG 3.88Å |
Retrieved 260 of 260 residues in 239.6 ms
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