| 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 | 34 | Very low | 79.9 | Confident | 217 Ų | 217 | 87.5 Ų | 87.5 | 100% | 1.069 | 52% | 0.52 | S | S | * | . | 0 | 118.1 | 0 | -69.3 | -162.1 | -95.1 | 0 | 0 | 106.2 | H3 | M1-H3 PolarHBondContact O-N 3.33Š| |||
| 2 | S | 46 | Very low | 81.3 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 84% | 0.839 | 48% | 0.477 | S | S | * | . | trans | -69.5 | 111.7 | 173.4 | 44.6 | 0 | 0 | 0 | 0 | 107.3 | A4 | S2-A4 PolarHBondContact O-N 3.33Š| ||
| 3 | H | 56.9 | Low | 82.5 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 44% | 0.44 | 46% | 0.455 | S | S | . | . | trans | -71.9 | 97.9 | 173 | -68.6 | -81.3 | 0 | 0 | 0 | 107.4 | M1 W5 S19 F20 | M1-H3 PolarHBondContact O-N 3.33Å; H3-W5 PolarHBondContact O-N 3.26Å; H3-S19 WeakPolarHBondContact ND1-CB 3.49Å; H3-S19 PolarHBondContact ND1-OG 3.24Å; H3-F20 HydrophobicContact CB-CE2 4.03Å; H3-F20 HydrophobicContact CB-CZ 3.74Å | ||
| 4 | A | 83.6 | Confident | 83.5 | Confident | 90 Ų | 90 | 78.7 Ų | 78.7 | 74% | 0.744 | 46% | 0.464 | S | S | * | . | trans | -66.4 | 123.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S2 | S2-A4 PolarHBondContact O-N 3.33Š| ||
| 5 | W | 94.9 | Very high | 84.4 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 19% | 0.186 | 46% | 0.457 | C | S | . | . | trans | -129.6 | 163.9 | 176.6 | 67.6 | -88.3 | 0 | 0 | 0 | 109.3 | H3 Y7 W16 F20 H64 T199 P200 | H3-W5 PolarHBondContact O-N 3.26Å; W5-Y7 AromaticContact CZ3-CE2 3.87Å; W5-Y7 HydrophobicContact CZ3-CE2 3.87Å; W5-Y7 AromaticContact CZ3-CZ 3.91Å; W5-W16 AromaticContact CE3-CE2 3.77Å; W5-W16 HydrophobicContact CE3-CH2 4.27Å; W5-W16 AromaticContact CE3-CZ2 3.48Å; W5-W16 HydrophobicContact CE3-CZ2 3.48Å; W5-W16 VanDerWaalsContact CE3-CZ2 3.48Å; W5-W16 AromaticContact CE3-NE1 3.97Å; W5-W16 HydrophobicContact CZ3-CH2 4.14Å; W5-W16 AromaticContact CZ3-CZ2 3.71Å; W5-W16 HydrophobicContact CZ3-CZ2 3.71Å; W5-F20 HydrophobicContact CB-CE2 4.5Å; W5-H64 HydrophobicContact CH2-CB 3.9Å; W5-H64 AromaticContact CH2-CD2 3.99Å; W5-H64 AromaticContact CH2-CG 3.62Å; W5-H64 AromaticContact CH2-ND1 3.82Å; W5-H64 HydrophobicContact CZ2-CB 4.49Å; W5-H64 AromaticContact CZ2-CD2 3.74Å; W5-H64 AromaticContact CZ2-CG 3.86Å; W5-H64 AromaticContact CZ2-NE2 3.92Å; W5-H64 AromaticContact CZ3-ND1 3.92Å; W5-H64 PolarHBondContact O-CE1 3.27Å; W5-H64 VanDerWaalsContact O-CE1 3.29Å; W5-T199 HydrophobicContact CH2-CG2 3.66Å; W5-T199 HydrophobicContact CZ3-CG2 4.13Å; W5-P200 HydrophobicContact CB-CG 4.06Å; W5-P200 HydrophobicContact CD2-CB 4Å; W5-P200 HydrophobicContact CD2-CG 3.55Å; W5-P200 HydrophobicContact CE3-CG 3.92Å; W5-P200 HydrophobicContact CG-CB 3.9Å; W5-P200 HydrophobicContact CG-CG 3.6Å | ||
| 6 | G | 95.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 7% | 0.072 | 43% | 0.43 | C | S | . | . | trans | -174 | -149.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T11 G12 W16 | G6-T11 CarbonylContact C-O 3.54Å; G6-T11 PolarHBondContact N-O 3.17Å; G6-T11 CarbonylContact O-C 3.39Å; G6-G12 VanDerWaalsContact O-CA 3.31Å; G6-G12 WeakPolarHBondContact O-CA 3.32Å; G6-W16 WeakPolarHBondContact O-CZ2 3.37Å; G6-W16 PolarHBondContact O-NE1 3.23Å | ||
| 7 | Y | 96.7 | Very high | 85.8 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 15% | 0.145 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -121 | 6 | -179.6 | -60.3 | -83.6 | 0 | 0 | 0 | 113.2 | W5 P13 W16 T199 F230 N243 | W5-Y7 AromaticContact CZ3-CE2 3.87Å; W5-Y7 HydrophobicContact CZ3-CE2 3.87Å; W5-Y7 AromaticContact CZ3-CZ 3.91Å; Y7-P13 HydrophobicContact CD1-CG 4.15Å; Y7-P13 HydrophobicContact CE1-CG 4.44Å; Y7-W16 HydrophobicContact CD1-CH2 4.48Å; Y7-W16 HydrophobicContact CD1-CZ2 4.18Å; Y7-W16 AromaticContact CE1-CH2 3.7Å; Y7-W16 HydrophobicContact CE1-CH2 3.7Å; Y7-W16 AromaticContact CE1-CZ2 3.75Å; Y7-W16 HydrophobicContact CE1-CZ2 3.75Å; Y7-T199 WeakPolarHBondContact OH-CG2 3.48Å; Y7-F230 AromaticContact CD2-CE1 3.92Å; Y7-F230 HydrophobicContact CD2-CE1 3.92Å; Y7-F230 AromaticContact CD2-CZ 3.93Å; Y7-F230 HydrophobicContact CD2-CZ 3.93Å; Y7-F230 HydrophobicContact CE2-CE1 4.47Å; Y7-N243 HydrophobicContact CD2-CB 3.89Å; Y7-N243 WeakPolarHBondContact CE1-O 3.24Å; Y7-N243 HydrophobicContact CE2-CB 3.73Å; Y7-N243 HydrophobicContact CG-CB 4.49Å; Y7-N243 VanDerWaalsContact CZ-C 3.4Å; Y7-N243 PolarHBondContact OH-O 3.45Å; Y7-N243 VanDerWaalsContact OH-O 3.08Å |
| 8 | G | 93.5 | Very high | 86.3 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -80.8 | 169.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H10 T11 G12 | G8-H10 PolarHBondContact O-N 3.4Å; G8-T11 PolarHBondContact O-N 3.44Å; G8-T11 VanDerWaalsContact O-N 3.1Å; G8-G12 VanDerWaalsContact O-CA 3.32Å; G8-G12 WeakPolarHBondContact O-CA 3.33Å; G8-G12 PolarHBondContact O-N 3.31Å |
| 9 | A | 90.8 | Very high | 86.8 | Confident | 84 Ų | 84 | 73.5 Ų | 73.5 | 69% | 0.694 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 10 | H | 92.5 | Very high | 87.3 | Confident | 169 Ų | 169 | 71.7 Ų | 71.7 | 78% | 0.782 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -9.3 | -178 | -58.4 | -51.3 | 0 | 0 | 0 | 114 | G8 | G8-H10 PolarHBondContact O-N 3.4Š|
| 11 | T | 94.4 | Very high | 87.7 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 4.2 | -175.2 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | G6 G8 W16 | G6-T11 CarbonylContact C-O 3.54Å; G6-T11 PolarHBondContact N-O 3.17Å; G6-T11 CarbonylContact O-C 3.39Å; G8-T11 PolarHBondContact O-N 3.44Å; G8-T11 VanDerWaalsContact O-N 3.1Å; T11-W16 VanDerWaalsContact O-CD1 3.29Å; T11-W16 PolarHBondContact O-NE1 2.96Å |
| 12 | G | 96.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -72.4 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G6 G8 D14 K15 W16 | G6-G12 VanDerWaalsContact O-CA 3.31Å; G6-G12 WeakPolarHBondContact O-CA 3.32Å; G8-G12 VanDerWaalsContact O-CA 3.32Å; G8-G12 WeakPolarHBondContact O-CA 3.33Å; G8-G12 PolarHBondContact O-N 3.31Å; G12-D14 PolarHBondContact O-N 2.82Å; G12-D14 VanDerWaalsContact O-N 3.08Å; G12-K15 WeakPolarHBondContact O-CA 3.29Å; G12-K15 WeakPolarHBondContact O-CB 3.46Å; G12-K15 PolarHBondContact O-N 3.1Å; G12-W16 VanDerWaalsContact C-NE1 3.32Å; G12-W16 PolarHBondContact O-N 2.81Å; G12-W16 PolarHBondContact O-NE1 2.97Å |
| 13 | P | 97.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 60 Ų | 60 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.6 | -177 | -32.2 | 37.3 | 0 | 0 | 0 | 116.3 | Y7 K15 W16 R245 | Y7-P13 HydrophobicContact CD1-CG 4.15Å; Y7-P13 HydrophobicContact CE1-CG 4.44Å; P13-K15 PolarHBondContact O-N 2.95Å; P13-W16 HydrophobicContact CB-CD2 4.37Å; P13-W16 HydrophobicContact CB-CE3 4.3Å; P13-W16 HydrophobicContact CB-CH2 4.48Å; P13-W16 HydrophobicContact CB-CZ2 4.49Å; P13-W16 HydrophobicContact CB-CZ3 4.36Å; P13-W16 HydrophobicContact CG-CH2 3.96Å; P13-W16 HydrophobicContact CG-CZ2 3.86Å; P13-W16 HydrophobicContact CG-CZ3 4.31Å; P13-W16 PolarHBondContact O-N 3.12Å; P13-R245 HydrophobicContact CB-CG 4.05Å; P13-R245 HydrophobicContact CG-CG 4.27Å |
| 14 | D | 96.3 | Very high | 95 | Very high | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.5 | 178 | 70 | -52.7 | 0 | 0 | 0 | 113.3 | G12 | G12-D14 PolarHBondContact O-N 2.82Å; G12-D14 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 96.7 | Very high | 95.7 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -15.4 | 177 | -53.1 | -51.7 | -176.9 | -140.2 | 0 | 113.6 | G12 P13 A17 D18 | G12-K15 WeakPolarHBondContact O-CA 3.29Å; G12-K15 WeakPolarHBondContact O-CB 3.46Å; G12-K15 PolarHBondContact O-N 3.1Å; P13-K15 PolarHBondContact O-N 2.95Å; K15-A17 PolarHBondContact O-N 2.86Å; K15-A17 VanDerWaalsContact O-N 3.12Å; K15-D18 WeakPolarHBondContact O-CB 3.26Å; K15-D18 PolarHBondContact O-N 3.37Å |
| 16 | W | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.023 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -60.3 | -30.3 | -173 | -67.1 | -5.3 | 0 | 0 | 0 | 113.1 | W5 G6 Y7 T11 G12 P13 D18 S19 F20 A23 T198 P200 L202 R245 | W5-W16 AromaticContact CE3-CE2 3.77Å; W5-W16 HydrophobicContact CE3-CH2 4.27Å; W5-W16 AromaticContact CE3-CZ2 3.48Å; W5-W16 HydrophobicContact CE3-CZ2 3.48Å; W5-W16 VanDerWaalsContact CE3-CZ2 3.48Å; W5-W16 AromaticContact CE3-NE1 3.97Å; W5-W16 HydrophobicContact CZ3-CH2 4.14Å; W5-W16 AromaticContact CZ3-CZ2 3.71Å; W5-W16 HydrophobicContact CZ3-CZ2 3.71Å; G6-W16 WeakPolarHBondContact O-CZ2 3.37Å; G6-W16 PolarHBondContact O-NE1 3.23Å; Y7-W16 HydrophobicContact CD1-CH2 4.48Å; Y7-W16 HydrophobicContact CD1-CZ2 4.18Å; Y7-W16 AromaticContact CE1-CH2 3.7Å; Y7-W16 HydrophobicContact CE1-CH2 3.7Å; Y7-W16 AromaticContact CE1-CZ2 3.75Å; Y7-W16 HydrophobicContact CE1-CZ2 3.75Å; T11-W16 VanDerWaalsContact O-CD1 3.29Å; T11-W16 PolarHBondContact O-NE1 2.96Å; G12-W16 VanDerWaalsContact C-NE1 3.32Å; G12-W16 PolarHBondContact O-N 2.81Å; G12-W16 PolarHBondContact O-NE1 2.97Å; P13-W16 HydrophobicContact CB-CD2 4.37Å; P13-W16 HydrophobicContact CB-CE3 4.3Å; P13-W16 HydrophobicContact CB-CH2 4.48Å; P13-W16 HydrophobicContact CB-CZ2 4.49Å; P13-W16 HydrophobicContact CB-CZ3 4.36Å; P13-W16 HydrophobicContact CG-CH2 3.96Å; P13-W16 HydrophobicContact CG-CZ2 3.86Å; P13-W16 HydrophobicContact CG-CZ3 4.31Å; P13-W16 PolarHBondContact O-N 3.12Å; W16-D18 PolarHBondContact O-N 2.58Å; W16-D18 VanDerWaalsContact O-N 3.16Å; W16-S19 PolarHBondContact O-N 2.98Å; W16-F20 WeakPolarHBondContact O-CA 3.45Å; W16-F20 WeakPolarHBondContact O-CB 3.5Å; W16-F20 WeakPolarHBondContact O-CD2 3.31Å; W16-F20 PolarHBondContact O-N 3.11Å; W16-A23 HydrophobicContact CB-CB 4.47Å; W16-T198 WeakPolarHBondContact CZ3-O 3.42Å; W16-P200 HydrophobicContact CB-CG 4.5Å; W16-P200 HydrophobicContact CD2-CG 3.69Å; W16-P200 HydrophobicContact CE3-CG 3.96Å; W16-P200 HydrophobicContact CG-CG 3.97Å; W16-P200 HydrophobicContact CZ3-CG 4.45Å; W16-L202 HydrophobicContact CB-CD1 4.24Å; W16-L202 HydrophobicContact CE3-CD1 3.95Å; W16-L202 HydrophobicContact CE3-CD2 3.89Å; W16-L202 HydrophobicContact CE3-CG 4.4Å; W16-L202 HydrophobicContact CZ3-CD2 3.92Å; W16-R245 HydrophobicContact CH2-CB 4.38Å; W16-R245 HydrophobicContact CH2-CG 4.32Å; W16-R245 HydrophobicContact CZ3-CB 4.21Å; W16-R245 HydrophobicContact CZ3-CG 3.74Å |
| 17 | A | 96 | Very high | 95.9 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 21% | 0.207 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -59.5 | -24.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K15 S19 F20 A23 N24 | K15-A17 PolarHBondContact O-N 2.86Å; K15-A17 VanDerWaalsContact O-N 3.12Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.28Å; A17-F20 WeakPolarHBondContact CA-O 3.42Å; A17-A23 HydrophobicContact CB-CB 3.94Å; A17-N24 WeakPolarHBondContact CB-ND2 3.5Å |
| 18 | D | 94.8 | Very high | 96 | Very high | 132 Ų | 132 | 60.3 Ų | 60.3 | 71% | 0.706 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -67.2 | -34.4 | -178.9 | -63.2 | -18.9 | 0 | 0 | 0 | 111.8 | K15 W16 | K15-D18 WeakPolarHBondContact O-CB 3.26Å; K15-D18 PolarHBondContact O-N 3.37Å; W16-D18 PolarHBondContact O-N 2.58Å; W16-D18 VanDerWaalsContact O-N 3.16Å |
| 19 | S | 95.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -24.5 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 113.1 | H3 W16 A17 | H3-S19 WeakPolarHBondContact ND1-CB 3.49Å; H3-S19 PolarHBondContact ND1-OG 3.24Å; W16-S19 PolarHBondContact O-N 2.98Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.28Å |
| 20 | F | 96.2 | Very high | 96.7 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | trans | -127.1 | 81 | -178 | -52.9 | -81.8 | 0 | 0 | 0 | 108.8 | H3 W5 W16 A17 I22 A23 P200 P201 L202 | H3-F20 HydrophobicContact CB-CE2 4.03Å; H3-F20 HydrophobicContact CB-CZ 3.74Å; W5-F20 HydrophobicContact CB-CE2 4.5Å; W16-F20 WeakPolarHBondContact O-CA 3.45Å; W16-F20 WeakPolarHBondContact O-CB 3.5Å; W16-F20 WeakPolarHBondContact O-CD2 3.31Å; W16-F20 PolarHBondContact O-N 3.11Å; A17-F20 WeakPolarHBondContact CA-O 3.42Å; F20-I22 PolarHBondContact O-N 2.94Å; F20-A23 WeakPolarHBondContact O-CB 3.32Å; F20-A23 PolarHBondContact O-N 2.82Å; F20-P200 HydrophobicContact CD1-CB 4.28Å; F20-P200 HydrophobicContact CD2-CB 3.79Å; F20-P200 HydrophobicContact CD2-CG 4.01Å; F20-P200 HydrophobicContact CE1-CB 4.03Å; F20-P200 HydrophobicContact CE2-CB 3.53Å; F20-P200 HydrophobicContact CE2-CG 3.98Å; F20-P200 HydrophobicContact CG-CB 4.16Å; F20-P200 HydrophobicContact CZ-CB 3.65Å; F20-P201 HydrophobicContact CD1-CB 4.03Å; F20-P201 HydrophobicContact CE1-CB 4.12Å; F20-L202 HydrophobicContact CB-CD1 4.37Å | ||
| 21 | P | 96.4 | Very high | 97 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 66% | 0.662 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -55.6 | -26.5 | -175.4 | -28.7 | 36.1 | 0 | 0 | 0 | 114.3 | A23 N24 | P21-A23 PolarHBondContact O-N 3.41Å; P21-A23 VanDerWaalsContact O-N 3.12Å; P21-N24 PolarHBondContact O-N 3.44Å |
| 22 | I | 97.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -61.6 | -14.3 | 173.9 | -160.2 | 169.7 | 0 | 0 | 0 | 113.1 | F20 N24 G25 Q28 P201 L202 E204 | F20-I22 PolarHBondContact O-N 2.94Å; I22-N24 PolarHBondContact O-N 3.36Å; I22-G25 WeakPolarHBondContact O-CA 3.37Å; I22-G25 PolarHBondContact O-N 3Å; I22-Q28 WeakPolarHBondContact O-CG 3.39Å; I22-Q28 PolarHBondContact O-NE2 3.28Å; I22-Q28 PolarHBondContact O-OE1 3.15Å; I22-P201 VanDerWaalsContact CG2-O 3.22Å; I22-P201 WeakPolarHBondContact CG2-O 3.29Å; I22-L202 HydrophobicContact CG2-CB 3.97Å; I22-E204 HydrophobicContact CD1-CG 4.07Å; I22-E204 HydrophobicContact CG1-CG 4.21Å |
| 23 | A | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -53.9 | -25.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W16 A17 F20 P21 Q28 L202 R245 | W16-A23 HydrophobicContact CB-CB 4.47Å; A17-A23 HydrophobicContact CB-CB 3.94Å; F20-A23 WeakPolarHBondContact O-CB 3.32Å; F20-A23 PolarHBondContact O-N 2.82Å; P21-A23 PolarHBondContact O-N 3.41Å; P21-A23 VanDerWaalsContact O-N 3.12Å; A23-Q28 WeakPolarHBondContact O-CG 3.45Å; A23-L202 HydrophobicContact CB-CD1 3.35Å; A23-R245 PolarHBondContact O-NH2 2.83Å; A23-R245 VanDerWaalsContact O-NH2 3.07Å |
| 24 | N | 95.8 | Very high | 97.3 | Very high | 116 Ų | 116 | 47.5 Ų | 47.5 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -100.2 | 11.4 | 174.4 | -71 | -41.5 | 0 | 0 | 0 | 113.4 | A17 P21 I22 K251 | A17-N24 WeakPolarHBondContact CB-ND2 3.5Å; P21-N24 PolarHBondContact O-N 3.44Å; I22-N24 PolarHBondContact O-N 3.36Å; N24-K251 PolarHBondContact O-NZ 3.18Å |
| 25 | G | 97.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | trans | -61.8 | 162.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I22 R27 E204 K251 | I22-G25 WeakPolarHBondContact O-CA 3.37Å; I22-G25 PolarHBondContact O-N 3Å; G25-R27 VanDerWaalsContact C-N 3.25Å; G25-R27 PolarHBondContact O-N 3.21Å; G25-E204 VanDerWaalsContact CA-OE1 3.23Å; G25-E204 WeakPolarHBondContact CA-OE1 3.48Å; G25-K251 PolarHBondContact O-NZ 2.85Å | ||
| 26 | P | 97.7 | Very high | 97.3 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.5 | -172.9 | 28.5 | -35.7 | 0 | 0 | 0 | 115 | E204 K251 | P26-E204 WeakPolarHBondContact CD-OE1 3.42Å; P26-K251 HydrophobicContact CB-CD 4.49Å; P26-K251 WeakPolarHBondContact O-CD 3.17Å |
| 27 | R | 98.1 | Very high | 97.3 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 28% | 0.275 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 37.8 | -172.1 | -54.6 | -177.3 | -66.7 | 156.5 | 6.6 | 112.3 | G25 G195 S196 E204 R253 | G25-R27 VanDerWaalsContact C-N 3.25Å; G25-R27 PolarHBondContact O-N 3.21Å; R27-G195 CarbonylContact O-C 3.55Å; R27-G195 WeakPolarHBondContact O-CA 3.41Å; R27-S196 PolarHBondContact O-N 3.31Å; R27-E204 WeakPolarHBondContact CA-OE1 3.41Å; R27-E204 HydrophobicContact CB-CB 4.42Å; R27-E204 HydrophobicContact CB-CG 4.21Å; R27-E204 PolarHBondContact N-OE1 3.38Å; R27-E204 IonicContact NE-OE2 3.98Å; R27-E204 PolarHBondContact NE-OE2 3.45Å; R27-E204 PolarHBondContact NH2-O 3.46Å; R27-E204 IonicContact NH2-OE2 3.02Å; R27-R253 HydrophobicContact CG-CG 4.37Å; R27-R253 PolarHBondContact O-NH1 2.95Å |
| 28 | Q | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.019 | 30% | 0.302 | C | S | . | . | trans | -70.7 | 149.3 | 178.7 | -68.8 | -71.9 | -67.6 | 0 | 0 | 112.8 | I22 A23 S196 L202 Q248 R253 | I22-Q28 WeakPolarHBondContact O-CG 3.39Å; I22-Q28 PolarHBondContact O-NE2 3.28Å; I22-Q28 PolarHBondContact O-OE1 3.15Å; A23-Q28 WeakPolarHBondContact O-CG 3.45Å; Q28-S196 WeakPolarHBondContact CA-OG 3.42Å; Q28-S196 PolarHBondContact NE2-OG 3.3Å; Q28-L202 PolarHBondContact NE2-O 3.03Å; Q28-Q248 HydrophobicContact CB-CB 3.95Å; Q28-Q248 HydrophobicContact CB-CG 3.93Å; Q28-R253 PolarHBondContact O-NH1 3.33Å; Q28-R253 PolarHBondContact O-NH2 3.31Å | ||
| 29 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -118.8 | 158.7 | 176.2 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | Y193 G195 S196 W208 R245 | S29-Y193 WeakPolarHBondContact CB-OH 3.39Å; S29-Y193 WeakPolarHBondContact OG-CE2 3.3Å; S29-Y193 PolarHBondContact OG-OH 3.14Å; S29-G195 VanDerWaalsContact OG-CA 3.29Å; S29-G195 WeakPolarHBondContact OG-CA 3.14Å; S29-S196 WeakPolarHBondContact CB-O 3.47Å; S29-S196 PolarHBondContact N-OG 3Å; S29-S196 PolarHBondContact OG-N 2.72Å; S29-W208 PolarHBondContact OG-NE1 3.26Å; S29-R245 WeakPolarHBondContact O-CD 2.98Å; S29-R245 PolarHBondContact O-NH1 3.42Å |
| 30 | P | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | cis | -76.5 | -179.6 | -2.1 | 35.1 | -39.4 | 0 | 0 | 0 | 112.5 | E106 T198 R245 Q248 | P30-E106 HydrophobicContact CB-CB 3.79Å; P30-E106 WeakPolarHBondContact CB-O 3.38Å; P30-E106 VanDerWaalsContact CG-C 3.48Å; P30-E106 HydrophobicContact CG-CB 3.69Å; P30-E106 HydrophobicContact CG-CG 4.39Å; P30-E106 WeakPolarHBondContact CG-O 3.45Å; P30-T198 HydrophobicContact CB-CG2 4.45Å; P30-R245 VanDerWaalsContact CG-O 3.31Å; P30-R245 WeakPolarHBondContact CG-O 3.21Å; P30-Q248 WeakPolarHBondContact O-CB 3.39Å; P30-Q248 PolarHBondContact O-N 2.78Å | ||
| 31 | I | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | trans | -132.7 | 161.4 | 174.1 | 61.1 | 168.5 | 0 | 0 | 0 | 111.1 | I33 T108 Y193 L250 V255 | I31-I33 HydrophobicContact CD1-CG1 4.33Å; I31-I33 HydrophobicContact CG1-CG1 4.25Å; I31-T108 PolarHBondContact O-N 3.23Å; I31-Y193 HydrophobicContact CD1-CD1 3.73Å; I31-Y193 HydrophobicContact CD1-CD2 3.88Å; I31-Y193 HydrophobicContact CD1-CE1 3.72Å; I31-Y193 HydrophobicContact CD1-CE2 3.88Å; I31-Y193 HydrophobicContact CD1-CG 3.82Å; I31-Y193 HydrophobicContact CG1-CD1 4.33Å; I31-Y193 HydrophobicContact CG1-CE1 3.79Å; I31-Y193 HydrophobicContact CG1-CE2 4.07Å; I31-Y193 HydrophobicContact CG2-CE2 4.15Å; I31-L250 HydrophobicContact CD1-CD1 3.62Å; I31-L250 HydrophobicContact CG2-CD1 4.35Å; I31-V255 HydrophobicContact CD1-CG2 3.59Å | ||
| 32 | N | 98.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.5 | 161.7 | 177.8 | 51 | 0 | 0 | 0 | 109.5 | V34 T108 A110 G111 | N32-V34 VanDerWaalsContact ND2-CG2 3.34Å; N32-V34 WeakPolarHBondContact ND2-CG2 3.25Å; N32-T108 WeakPolarHBondContact CA-OG1 3.15Å; N32-T108 VanDerWaalsContact CB-OG1 3.26Å; N32-T108 WeakPolarHBondContact CB-OG1 3.31Å; N32-T108 VanDerWaalsContact CG-OG1 3.3Å; N32-T108 PolarHBondContact OD1-O 2.86Å; N32-T108 PolarHBondContact OD1-OG1 3.36Å; N32-A110 PolarHBondContact OD1-N 2.96Å; N32-G111 PolarHBondContact OD1-N 2.86Å |
| 33 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.3 | 173.5 | -61.2 | 169.5 | 0 | 0 | 0 | 107.7 | I31 P35 T108 V109 A110 W191 V210 V255 | I31-I33 HydrophobicContact CD1-CG1 4.33Å; I31-I33 HydrophobicContact CG1-CG1 4.25Å; I33-P35 WeakPolarHBondContact O-CD 3.36Å; I33-T108 PolarHBondContact N-O 2.8Å; I33-V109 CarbonylContact O-C 3.32Å; I33-V109 WeakPolarHBondContact O-CA 3.26Å; I33-A110 PolarHBondContact O-N 2.93Å; I33-W191 HydrophobicContact CD1-CB 4.21Å; I33-W191 HydrophobicContact CD1-CD2 4.32Å; I33-W191 HydrophobicContact CD1-CE3 4.05Å; I33-W191 HydrophobicContact CD1-CG 4.42Å; I33-W191 HydrophobicContact CG2-CD2 3.75Å; I33-W191 HydrophobicContact CG2-CE3 4.28Å; I33-W191 HydrophobicContact CG2-CG 3.85Å; I33-W191 HydrophobicContact CG2-CZ2 4.36Å; I33-V210 HydrophobicContact CD1-CB 4Å; I33-V210 HydrophobicContact CD1-CG1 3.98Å; I33-V210 HydrophobicContact CD1-CG2 4.16Å; I33-V255 HydrophobicContact CG2-CG1 4.31Å |
| 34 | V | 98.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | trans | -101.8 | 106 | 173.3 | -179 | 0 | 0 | 0 | 0 | 107.4 | N32 G36 D37 A38 | N32-V34 VanDerWaalsContact ND2-CG2 3.34Å; N32-V34 WeakPolarHBondContact ND2-CG2 3.25Å; V34-G36 PolarHBondContact O-N 3.13Å; V34-G36 VanDerWaalsContact O-N 3.16Å; V34-D37 HydrophobicContact CB-CB 4.15Å; V34-D37 HydrophobicContact CG1-CB 4.26Å; V34-D37 WeakPolarHBondContact CG1-OD2 3.39Å; V34-D37 PolarHBondContact O-N 3.05Å; V34-A38 PolarHBondContact O-N 3.33Å | ||
| 35 | P | 96.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -57 | -34.8 | -173.1 | -28.7 | 36.7 | 0 | 0 | 0 | 114 | I33 D37 A38 V109 W191 | I33-P35 WeakPolarHBondContact O-CD 3.36Å; P35-D37 VanDerWaalsContact C-N 3.26Å; P35-D37 PolarHBondContact O-N 3.37Å; P35-A38 PolarHBondContact O-N 2.66Å; P35-V109 HydrophobicContact CG-CG1 3.62Å; P35-W191 HydrophobicContact CB-CZ2 4.34Å; P35-W191 HydrophobicContact CG-CZ2 4Å |
| 36 | G | 95.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 77% | 0.773 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -68.8 | -19.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V34 | V34-G36 PolarHBondContact O-N 3.13Å; V34-G36 VanDerWaalsContact O-N 3.16Å |
| 37 | D | 96.9 | Very high | 97.8 | Very high | 126 Ų | 126 | 52.3 Ų | 52.3 | 67% | 0.674 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -99.6 | -7.8 | 176.4 | -61.2 | -24.5 | 0 | 0 | 0 | 111.9 | V34 P35 | V34-D37 HydrophobicContact CB-CB 4.15Å; V34-D37 HydrophobicContact CG1-CB 4.26Å; V34-D37 WeakPolarHBondContact CG1-OD2 3.39Å; V34-D37 PolarHBondContact O-N 3.05Å; P35-D37 VanDerWaalsContact C-N 3.26Å; P35-D37 PolarHBondContact O-N 3.37Å |
| 38 | A | 97.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -77.3 | 131.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V34 P35 V255 A257 | V34-A38 PolarHBondContact O-N 3.33Å; P35-A38 PolarHBondContact O-N 2.66Å; A38-V255 WeakPolarHBondContact CA-O 3.48Å; A38-V255 HydrophobicContact CB-CB 4.34Å; A38-V255 HydrophobicContact CB-CG1 4.2Å; A38-A257 HydrophobicContact CB-CB 4.47Å |
| 39 | S | 97.5 | Very high | 97.8 | Very high | 64 Ų | 64 | 53 Ų | 53 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.6 | -179.6 | -65 | 0 | 0 | 0 | 0 | 110.3 | D41 V255 R256 A257 | S39-D41 PolarHBondContact O-N 3.08Å; S39-V255 PolarHBondContact N-O 3.01Å; S39-R256 CarbonylContact O-C 3.09Å; S39-R256 VanDerWaalsContact O-CA 3.24Å; S39-R256 WeakPolarHBondContact O-CA 3.39Å; S39-A257 PolarHBondContact O-N 2.74Å |
| 40 | Y | 98.1 | Very high | 97.7 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 125.4 | 167.6 | 172.2 | -119.8 | 0 | 0 | 0 | 109.8 | P42 A257 F259 Q260 | Y40-P42 HydrophobicContact CE1-CB 3.85Å; Y40-P42 HydrophobicContact CE1-CG 4.37Å; Y40-A257 WeakPolarHBondContact CD2-O 3.35Å; Y40-F259 WeakPolarHBondContact CD2-O 3.47Å; Y40-Q260 HydrophobicContact CD1-CG 3.68Å; Y40-Q260 HydrophobicContact CD2-CG 4.11Å; Y40-Q260 HydrophobicContact CE1-CG 3.72Å; Y40-Q260 HydrophobicContact CE2-CG 4.14Å; Y40-Q260 HydrophobicContact CG-CG 3.87Å |
| 41 | D | 98 | Very high | 97.7 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | trans | -117.4 | 102.2 | 178.4 | -178.9 | -2.4 | 0 | 0 | 0 | 109.3 | S39 A43 L44 R256 A257 | S39-D41 PolarHBondContact O-N 3.08Å; D41-A43 PolarHBondContact O-N 2.8Å; D41-A43 VanDerWaalsContact O-N 3.12Å; D41-A43 VanDerWaalsContact OD1-CB 3.27Å; D41-A43 WeakPolarHBondContact OD1-CB 3.38Å; D41-A43 PolarHBondContact OD1-N 3.42Å; D41-L44 HydrophobicContact CB-CD1 3.93Å; D41-L44 HydrophobicContact CB-CG 3.89Å; D41-L44 WeakPolarHBondContact O-CB 3.35Å; D41-L44 PolarHBondContact O-N 3.12Å; D41-R256 HydrophobicContact CB-CB 4.2Å; D41-R256 HydrophobicContact CB-CG 4.48Å; D41-R256 WeakPolarHBondContact OD2-CD 3.35Å; D41-R256 IonicContact OD2-CZ 2.71Å; D41-R256 IonicContact OD2-NE 2.77Å; D41-R256 IonicContact OD2-NH1 3.64Å; D41-R256 PolarHBondContact OD2-NH1 2.71Å; D41-A257 PolarHBondContact N-O 3.47Å | ||
| 42 | P | 96.6 | Very high | 97.6 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.1 | -179.2 | 29.3 | -35.7 | 0 | 0 | 0 | 113.6 | Y40 L44 | Y40-P42 HydrophobicContact CE1-CB 3.85Å; Y40-P42 HydrophobicContact CE1-CG 4.37Å; P42-L44 VanDerWaalsContact C-N 3.34Å |
| 43 | A | 97.1 | Very high | 97.6 | Very high | 80 Ų | 80 | 62 Ų | 62 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D41 K45 | D41-A43 PolarHBondContact O-N 2.8Å; D41-A43 VanDerWaalsContact O-N 3.12Å; D41-A43 VanDerWaalsContact OD1-CB 3.27Å; D41-A43 WeakPolarHBondContact OD1-CB 3.38Å; D41-A43 PolarHBondContact OD1-N 3.42Å; A43-K45 PolarHBondContact O-N 3.39Å |
| 44 | L | 98 | Very high | 97.5 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 119.6 | 173.1 | -74.8 | 177.9 | 0 | 0 | 0 | 110 | D41 P42 P83 Y190 T192 R256 | D41-L44 HydrophobicContact CB-CD1 3.93Å; D41-L44 HydrophobicContact CB-CG 3.89Å; D41-L44 WeakPolarHBondContact O-CB 3.35Å; D41-L44 PolarHBondContact O-N 3.12Å; P42-L44 VanDerWaalsContact C-N 3.34Å; L44-P83 HydrophobicContact CD2-CB 3.9Å; L44-Y190 WeakPolarHBondContact CB-OH 3.26Å; L44-Y190 HydrophobicContact CD1-CE2 4.1Å; L44-Y190 HydrophobicContact CD2-CE2 4.29Å; L44-T192 HydrophobicContact CD1-CG2 3.75Å; L44-T192 HydrophobicContact CD2-CG2 3.96Å; L44-R256 HydrophobicContact CD1-CB 3.96Å |
| 45 | K | 96.8 | Very high | 97.4 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 164.6 | 177.2 | -64.2 | 179.9 | -175.5 | 178.9 | 0 | 111 | A43 D81 G82 Y190 | A43-K45 PolarHBondContact O-N 3.39Å; K45-D81 HydrophobicContact CB-CB 4.12Å; K45-D81 HydrophobicContact CD-CB 4.02Å; K45-D81 WeakPolarHBondContact CD-OD1 3.5Å; K45-D81 IonicContact NZ-OD1 2.83Å; K45-D81 PolarHBondContact NZ-OD1 3.25Å; K45-G82 WeakPolarHBondContact O-CA 3.39Å; K45-Y190 PolarHBondContact O-OH 3.2Å |
| 46 | P | 97.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 60.9 Ų | 60.9 | 70% | 0.701 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 150.2 | 161.6 | -23.1 | 34.9 | 0 | 0 | 0 | 111.4 | D81 G82 | P46-D81 WeakPolarHBondContact O-CB 3.4Å; P46-G82 PolarHBondContact O-N 2.77Å |
| 47 | L | 97.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.5 | 171.8 | -61.8 | 169.1 | 0 | 0 | 0 | 109.8 | L49 L79 L188 Y190 I209 | L47-L49 HydrophobicContact CB-CG 4.49Å; L47-L79 HydrophobicContact CD2-CD1 4Å; L47-L188 HydrophobicContact CB-CD1 4.48Å; L47-L188 HydrophobicContact CD1-CB 4.42Å; L47-Y190 HydrophobicContact CD1-CD1 3.79Å; L47-Y190 HydrophobicContact CD1-CE1 4.23Å; L47-Y190 HydrophobicContact CD1-CG 4.31Å; L47-Y190 HydrophobicContact CD2-CD1 4.32Å; L47-Y190 HydrophobicContact CD2-CE1 4.02Å; L47-Y190 HydrophobicContact CG-CD1 3.81Å; L47-Y190 HydrophobicContact CG-CE1 3.72Å; L47-I209 HydrophobicContact CD1-CG2 3.52Å; L47-I209 HydrophobicContact CD2-CD1 3.91Å; L47-I209 HydrophobicContact CD2-CG1 4.43Å; L47-I209 HydrophobicContact CD2-CG2 3.81Å; L47-I209 HydrophobicContact CG-CG2 4.27Å |
| 48 | V | 97.9 | Very high | 97.7 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 42% | 0.418 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 101.1 | 172 | 178.2 | 0 | 0 | 0 | 0 | 108 | K80 D81 | V48-K80 HydrophobicContact CB-CB 4.12Å; V48-K80 HydrophobicContact CG1-CB 4.46Å; V48-K80 PolarHBondContact N-O 3.04Å; V48-K80 PolarHBondContact O-N 3.24Å; V48-D81 HydrophobicContact CG2-CB 4.13Å |
| 49 | L | 98 | Very high | 97.8 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.8 | 179.3 | -65.8 | 168.8 | 0 | 0 | 0 | 108.7 | L47 Y51 L79 L184 L188 | L47-L49 HydrophobicContact CB-CG 4.49Å; L49-Y51 HydrophobicContact CB-CE2 4.31Å; L49-Y51 WeakPolarHBondContact CD2-OH 3.09Å; L49-L79 HydrophobicContact CD2-CB 3.79Å; L49-L79 HydrophobicContact CD2-CD1 3.49Å; L49-L79 VanDerWaalsContact CD2-CD1 3.49Å; L49-L79 HydrophobicContact CD2-CG 4.16Å; L49-L79 HydrophobicContact CG-CD1 4.29Å; L49-L184 HydrophobicContact CD1-CD1 3.42Å; L49-L184 VanDerWaalsContact CD1-CD1 3.42Å; L49-L184 HydrophobicContact CD1-CD2 4.29Å; L49-L188 HydrophobicContact CD1-CD1 4.24Å |
| 50 | K | 97.4 | Very high | 97.8 | Very high | 131 Ų | 131 | 55.4 Ų | 55.4 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 119 | 175.1 | 178.9 | -169.6 | 173.5 | -166.9 | 0 | 108 | S77 T78 | K50-S77 CarbonylContact O-C 3.53Å; K50-S77 VanDerWaalsContact O-CA 3.29Å; K50-S77 WeakPolarHBondContact O-CA 3.39Å; K50-T78 PolarHBondContact N-O 2.99Å; K50-T78 PolarHBondContact O-N 3.34Å |
| 51 | Y | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | trans | -123.1 | 131.6 | -179.7 | -57.2 | -48.2 | 0 | 0 | 0 | 111.3 | L49 L90 H122 N179 P180 E181 | L49-Y51 HydrophobicContact CB-CE2 4.31Å; L49-Y51 WeakPolarHBondContact CD2-OH 3.09Å; Y51-L90 HydrophobicContact CD1-CB 4.4Å; Y51-L90 HydrophobicContact CD1-CD2 3.94Å; Y51-L90 HydrophobicContact CE1-CB 4.07Å; Y51-L90 HydrophobicContact CE1-CD2 3.94Å; Y51-L90 HydrophobicContact CE1-CG 4.42Å; Y51-H122 AromaticContact CE1-NE2 3.48Å; Y51-H122 WeakPolarHBondContact CE1-NE2 3.31Å; Y51-H122 AromaticContact CZ-NE2 3.57Å; Y51-H122 PolarHBondContact OH-CE1 3.07Å; Y51-H122 PolarHBondContact OH-NE2 3.17Å; Y51-N179 WeakPolarHBondContact CB-OD1 3.07Å; Y51-P180 HydrophobicContact CD1-CG 4.33Å; Y51-P180 HydrophobicContact CD2-CB 4.24Å; Y51-P180 HydrophobicContact CD2-CG 3.59Å; Y51-P180 HydrophobicContact CE2-CB 4.31Å; Y51-P180 HydrophobicContact CE2-CG 3.99Å; Y51-P180 HydrophobicContact CG-CG 3.75Å; Y51-E181 HydrophobicContact CD2-CB 3.98Å | ||
| 52 | D | 98.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | trans | -94.4 | 111.8 | 172.6 | -175.5 | -20.4 | 0 | 0 | 0 | 108.7 | S54 T55 S77 | D52-S54 PolarHBondContact O-N 2.91Å; D52-S54 VanDerWaalsContact O-N 3.11Å; D52-S54 WeakPolarHBondContact OD1-CB 3.45Å; D52-S54 PolarHBondContact OD1-N 3.06Å; D52-S54 PolarHBondContact OD1-OG 2.89Å; D52-S54 PolarHBondContact OD2-OG 3.29Å; D52-T55 HydrophobicContact CB-CG2 3.98Å; D52-T55 WeakPolarHBondContact O-CB 3.49Å; D52-T55 PolarHBondContact O-N 2.89Å; D52-T55 PolarHBondContact O-OG1 3.47Å; D52-S77 PolarHBondContact N-OG 3.34Å; D52-S77 PolarHBondContact O-OG 3.38Å | ||
| 53 | P | 97.6 | Very high | 97.9 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 29% | 0.286 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -60 | -26.5 | -176.2 | -22.6 | 34.8 | 0 | 0 | 0 | 113.5 | T55 C56 D177 F178 N179 | P53-T55 PolarHBondContact O-N 2.87Å; P53-C56 VanDerWaalsContact O-CB 3.32Å; P53-C56 WeakPolarHBondContact O-CB 3.43Å; P53-C56 PolarHBondContact O-N 2.88Å; P53-D177 VanDerWaalsContact O-CA 3.3Å; P53-D177 WeakPolarHBondContact O-CA 3.36Å; P53-D177 PolarHBondContact O-N 3.31Å; P53-F178 WeakPolarHBondContact CA-O 3.09Å; P53-F178 PolarHBondContact O-N 2.85Å; P53-N179 HydrophobicContact CB-CB 4.37Å; P53-N179 HydrophobicContact CG-CB 3.8Å |
| 54 | S | 97.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -69.8 | -14.2 | 179.5 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | D52 C56 | D52-S54 PolarHBondContact O-N 2.91Å; D52-S54 VanDerWaalsContact O-N 3.11Å; D52-S54 WeakPolarHBondContact OD1-CB 3.45Å; D52-S54 PolarHBondContact OD1-N 3.06Å; D52-S54 PolarHBondContact OD1-OG 2.89Å; D52-S54 PolarHBondContact OD2-OG 3.29Å; S54-C56 VanDerWaalsContact C-N 3.28Å |
| 55 | T | 97.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -79 | -10.9 | 174.4 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | D52 P53 F70 L71 S77 | D52-T55 HydrophobicContact CB-CG2 3.98Å; D52-T55 WeakPolarHBondContact O-CB 3.49Å; D52-T55 PolarHBondContact O-N 2.89Å; D52-T55 PolarHBondContact O-OG1 3.47Å; P53-T55 PolarHBondContact O-N 2.87Å; T55-F70 CarbonylContact O-C 3.44Å; T55-F70 VanDerWaalsContact O-CA 3.23Å; T55-F70 WeakPolarHBondContact O-CA 3.49Å; T55-L71 PolarHBondContact O-N 3.35Å; T55-S77 PolarHBondContact OG1-OG 2.87Å |
| 56 | C | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.3 | 176.8 | -163.5 | 0 | 0 | 0 | 0 | 110.5 | P53 S54 V68 F70 F175 F178 | P53-C56 VanDerWaalsContact O-CB 3.32Å; P53-C56 WeakPolarHBondContact O-CB 3.43Å; P53-C56 PolarHBondContact O-N 2.88Å; S54-C56 VanDerWaalsContact C-N 3.28Å; C56-V68 WeakPolarHBondContact SG-CG1 3.5Å; C56-F70 HydrophobicContact CB-CD1 3.95Å; C56-F70 HydrophobicContact CB-CE1 3.57Å; C56-F70 HydrophobicContact CB-CZ 4.2Å; C56-F175 CarbonylContact C-O 3.57Å; C56-F175 PolarHBondContact SG-O 3.16Å; C56-F178 HydrophobicContact CB-CB 4.17Å |
| 57 | L | 98 | Very high | 98 | Very high | 76 Ų | 76 | 35.8 Ų | 35.8 | 40% | 0.398 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -59.9 | -170.8 | -58.9 | 178.7 | 0 | 0 | 0 | 112.6 | T69 L71 F175 | L57-T69 HydrophobicContact CD1-CG2 4.49Å; L57-T69 PolarHBondContact N-O 3.2Å; L57-L71 HydrophobicContact CD1-CB 4.26Å; L57-L71 HydrophobicContact CD2-CB 4.32Å; L57-L71 HydrophobicContact CG-CB 4.46Å; L57-F175 CarbonylContact C-O 3.44Å; L57-F175 PolarHBondContact N-O 2.96Å; L57-F175 PolarHBondContact O-N 3.37Å |
| 58 | E | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 35 Ų | 35 | 28% | 0.276 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 159 | -167 | 65.7 | -176 | 179.3 | 0 | 0 | 111.4 | V68 T69 Q172 C173 | E58-V68 WeakPolarHBondContact O-CA 3.46Å; E58-T69 PolarHBondContact O-N 3.02Å; E58-Q172 PolarHBondContact OE2-NE2 3.09Å; E58-C173 WeakPolarHBondContact CA-O 3.34Å; E58-C173 WeakPolarHBondContact CB-O 3.24Å |
| 59 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.5 | 166.9 | -170.5 | 178.7 | 0 | 0 | 0 | 108.5 | F66 Q67 V68 L159 E162 I166 Q172 C173 F175 | I59-F66 HydrophobicContact CD1-CD2 3.83Å; I59-F66 HydrophobicContact CD1-CE2 4.4Å; I59-F66 HydrophobicContact CD1-CG 4.46Å; I59-F66 HydrophobicContact CG1-CB 4.49Å; I59-F66 HydrophobicContact CG1-CD2 4.13Å; I59-Q67 WeakPolarHBondContact CA-O 3.39Å; I59-V68 HydrophobicContact CB-CG2 4.11Å; I59-V68 HydrophobicContact CD1-CG2 4.13Å; I59-V68 HydrophobicContact CG1-CG2 3.83Å; I59-L159 HydrophobicContact CD1-CD2 4.24Å; I59-E162 HydrophobicContact CD1-CB 4.4Å; I59-E162 HydrophobicContact CG2-CB 4.17Å; I59-E162 HydrophobicContact CG2-CG 4.47Å; I59-I166 HydrophobicContact CD1-CD1 3.71Å; I59-I166 HydrophobicContact CD1-CG1 4.48Å; I59-I166 HydrophobicContact CG1-CD1 3.83Å; I59-I166 HydrophobicContact CG2-CG2 4.09Å; I59-Q172 VanDerWaalsContact O-CA 3.26Å; I59-Q172 WeakPolarHBondContact O-CA 3.48Å; I59-C173 WeakPolarHBondContact CG2-SG 3.4Å; I59-C173 PolarHBondContact N-O 3.35Å; I59-C173 PolarHBondContact O-N 3.48Å; I59-F175 HydrophobicContact CB-CB 3.95Å; I59-F175 HydrophobicContact CB-CG 4.19Å; I59-F175 HydrophobicContact CG2-CB 3.86Å; I59-F175 HydrophobicContact CG2-CD2 4.35Å; I59-F175 HydrophobicContact CG2-CG 4.21Å |
| 60 | L | 98.7 | Very high | 98.2 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 17% | 0.173 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.9 | -174.9 | 164 | 68.8 | 0 | 0 | 0 | 109.5 | N62 F66 Q67 Q172 | L60-N62 HydrophobicContact CD2-CB 4.34Å; L60-N62 HydrophobicContact CG-CB 4.4Å; L60-F66 CarbonylContact O-C 3.45Å; L60-F66 WeakPolarHBondContact O-CA 3.39Å; L60-Q67 PolarHBondContact N-O 2.76Å; L60-Q67 PolarHBondContact O-N 3.2Å; L60-Q172 HydrophobicContact CB-CB 4.13Å; L60-Q172 HydrophobicContact CD1-CB 3.88Å |
| 61 | N | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 110.7 | 160.9 | 177.9 | -17.2 | 0 | 0 | 0 | 109.1 | G63 I166 K167 T168 D170 S171 L229 M240 | N61-G63 VanDerWaalsContact C-N 3.32Å; N61-G63 WeakPolarHBondContact OD1-CA 3.32Å; N61-G63 PolarHBondContact OD1-N 3.11Å; N61-I166 HydrophobicContact CB-CB 4.24Å; N61-I166 HydrophobicContact CB-CD1 4.38Å; N61-I166 WeakPolarHBondContact CB-O 3.45Å; N61-I166 PolarHBondContact ND2-O 3.15Å; N61-I166 VanDerWaalsContact ND2-O 3.11Å; N61-K167 PolarHBondContact ND2-O 2.97Å; N61-K167 VanDerWaalsContact ND2-O 3.15Å; N61-T168 WeakPolarHBondContact CB-O 3.49Å; N61-T168 VanDerWaalsContact ND2-C 3.32Å; N61-T168 PolarHBondContact ND2-O 3.46Å; N61-D170 WeakPolarHBondContact O-CA 3.24Å; N61-D170 PolarHBondContact O-N 3.14Å; N61-S171 PolarHBondContact N-O 2.55Å; N61-L229 PolarHBondContact ND2-O 2.86Å; N61-L229 VanDerWaalsContact ND2-O 3.09Å; N61-M240 VanDerWaalsContact OD1-CE 3.26Å; N61-M240 WeakPolarHBondContact OD1-CE 3.49Å |
| 62 | N | 97.6 | Very high | 98.2 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | trans | -91.5 | 8.5 | -177.3 | 68 | 18.3 | 0 | 0 | 0 | 113.5 | L60 H64 S65 | L60-N62 HydrophobicContact CD2-CB 4.34Å; L60-N62 HydrophobicContact CG-CB 4.4Å; N62-H64 VanDerWaalsContact C-N 3.29Å; N62-H64 PolarHBondContact O-N 3.39Å; N62-H64 WeakPolarHBondContact OD1-CA 3.46Å; N62-H64 WeakPolarHBondContact OD1-CB 3.49Å; N62-H64 PolarHBondContact OD1-N 3.27Å; N62-S65 PolarHBondContact N-O 3.24Å; N62-S65 PolarHBondContact OD1-N 3.46Å; N62-S65 PolarHBondContact OD1-O 3.16Å | ||
| 63 | G | 97.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 76.8 | 10.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N61 F230 | N61-G63 VanDerWaalsContact C-N 3.32Å; N61-G63 WeakPolarHBondContact OD1-CA 3.32Å; N61-G63 PolarHBondContact OD1-N 3.11Å; G63-F230 VanDerWaalsContact O-CD1 3.25Å; G63-F230 WeakPolarHBondContact O-CD1 3.44Å |
| 64 | H | 97.5 | Very high | 98 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 21% | 0.213 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -136 | -29.4 | 174.4 | -57.5 | -62.6 | 0 | 0 | 0 | 112.4 | W5 N62 N243 | W5-H64 HydrophobicContact CH2-CB 3.9Å; W5-H64 AromaticContact CH2-CD2 3.99Å; W5-H64 AromaticContact CH2-CG 3.62Å; W5-H64 AromaticContact CH2-ND1 3.82Å; W5-H64 HydrophobicContact CZ2-CB 4.49Å; W5-H64 AromaticContact CZ2-CD2 3.74Å; W5-H64 AromaticContact CZ2-CG 3.86Å; W5-H64 AromaticContact CZ2-NE2 3.92Å; W5-H64 AromaticContact CZ3-ND1 3.92Å; W5-H64 PolarHBondContact O-CE1 3.27Å; W5-H64 VanDerWaalsContact O-CE1 3.29Å; N62-H64 VanDerWaalsContact C-N 3.29Å; N62-H64 PolarHBondContact O-N 3.39Å; N62-H64 WeakPolarHBondContact OD1-CA 3.46Å; N62-H64 WeakPolarHBondContact OD1-CB 3.49Å; N62-H64 PolarHBondContact OD1-N 3.27Å; H64-N243 WeakPolarHBondContact O-CB 3.27Å; H64-N243 PolarHBondContact O-ND2 2.87Å |
| 65 | S | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -156.1 | 175.3 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | N62 F95 M240 | N62-S65 PolarHBondContact N-O 3.24Å; N62-S65 PolarHBondContact OD1-N 3.46Å; N62-S65 PolarHBondContact OD1-O 3.16Å; S65-F95 PolarHBondContact OG-N 2.82Å; S65-F95 PolarHBondContact OG-O 3.37Å; S65-M240 WeakPolarHBondContact CA-SD 3.18Å |
| 66 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 151.4 | 148.9 | 72.1 | -89.2 | 0 | 0 | 0 | 110.6 | I59 L60 F93 H94 F95 W97 L159 F163 I166 F225 L228 | I59-F66 HydrophobicContact CD1-CD2 3.83Å; I59-F66 HydrophobicContact CD1-CE2 4.4Å; I59-F66 HydrophobicContact CD1-CG 4.46Å; I59-F66 HydrophobicContact CG1-CB 4.49Å; I59-F66 HydrophobicContact CG1-CD2 4.13Å; L60-F66 CarbonylContact O-C 3.45Å; L60-F66 WeakPolarHBondContact O-CA 3.39Å; F66-F93 HydrophobicContact CE2-CE2 4.4Å; F66-H94 WeakPolarHBondContact O-CB 3.39Å; F66-F95 HydrophobicContact CE1-CB 4.39Å; F66-F95 AromaticContact CE1-CD2 3.99Å; F66-F95 HydrophobicContact CE1-CD2 3.99Å; F66-F95 HydrophobicContact CE1-CG 4.46Å; F66-F95 AromaticContact CE2-CD2 3.68Å; F66-F95 HydrophobicContact CE2-CD2 3.68Å; F66-F95 AromaticContact CE2-CE2 3.86Å; F66-F95 HydrophobicContact CE2-CE2 3.86Å; F66-F95 HydrophobicContact CZ-CB 4.42Å; F66-F95 AromaticContact CZ-CD2 3.21Å; F66-F95 HydrophobicContact CZ-CD2 3.21Å; F66-F95 AromaticContact CZ-CE2 3.57Å; F66-F95 HydrophobicContact CZ-CE2 3.57Å; F66-F95 HydrophobicContact CZ-CG 4.04Å; F66-W97 AromaticContact CD1-CH2 3.85Å; F66-W97 HydrophobicContact CD1-CH2 3.85Å; F66-W97 AromaticContact CD1-CZ3 3.99Å; F66-W97 HydrophobicContact CD1-CZ3 3.99Å; F66-W97 HydrophobicContact CE1-CH2 4.22Å; F66-W97 AromaticContact CE1-CZ3 3.98Å; F66-W97 HydrophobicContact CE1-CZ3 3.98Å; F66-L159 HydrophobicContact CE2-CD2 4.49Å; F66-F163 AromaticContact CD1-CE1 3.98Å; F66-F163 HydrophobicContact CD1-CE1 3.98Å; F66-F163 HydrophobicContact CD1-CZ 4Å; F66-F163 HydrophobicContact CD2-CE1 4.42Å; F66-F163 AromaticContact CE1-CE1 3.81Å; F66-F163 HydrophobicContact CE1-CE1 3.81Å; F66-F163 HydrophobicContact CE1-CE2 4.49Å; F66-F163 AromaticContact CE1-CZ 3.48Å; F66-F163 HydrophobicContact CE1-CZ 3.48Å; F66-F163 VanDerWaalsContact CE1-CZ 3.48Å; F66-F163 HydrophobicContact CE2-CE1 4.26Å; F66-F163 HydrophobicContact CG-CE1 4.27Å; F66-F163 AromaticContact CZ-CE1 3.94Å; F66-F163 HydrophobicContact CZ-CE1 3.94Å; F66-F163 AromaticContact CZ-CZ 3.77Å; F66-F163 HydrophobicContact CZ-CZ 3.77Å; F66-I166 HydrophobicContact CB-CD1 3.55Å; F66-I166 HydrophobicContact CG-CD1 4.33Å; F66-F225 AromaticContact CE1-CD1 3.79Å; F66-F225 HydrophobicContact CE1-CD1 3.79Å; F66-F225 AromaticContact CE1-CE1 3.57Å; F66-F225 HydrophobicContact CE1-CE1 3.57Å; F66-F225 HydrophobicContact CE1-CZ 4.25Å; F66-F225 HydrophobicContact CZ-CD1 4.4Å; F66-F225 AromaticContact CZ-CE1 3.72Å; F66-F225 HydrophobicContact CZ-CE1 3.72Å; F66-F225 HydrophobicContact CZ-CZ 4.09Å; F66-L228 HydrophobicContact CB-CD1 4.21Å; F66-L228 HydrophobicContact CD1-CD1 3.6Å; F66-L228 HydrophobicContact CE1-CD1 4.43Å; F66-L228 HydrophobicContact CG-CD1 4.31Å |
| 67 | Q | 98.5 | Very high | 97.9 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.3 | 178.9 | -176.7 | -173.2 | -74.6 | 0 | 0 | 109.1 | I59 L60 T69 Q92 F93 | I59-Q67 WeakPolarHBondContact CA-O 3.39Å; L60-Q67 PolarHBondContact N-O 2.76Å; L60-Q67 PolarHBondContact O-N 3.2Å; Q67-T69 PolarHBondContact NE2-OG1 3.22Å; Q67-Q92 HydrophobicContact CG-CB 3.69Å; Q67-Q92 HydrophobicContact CG-CG 4.06Å; Q67-F93 WeakPolarHBondContact CA-O 3.44Å |
| 68 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.7 | 168.5 | 179 | 0 | 0 | 0 | 0 | 108.9 | C56 E58 I59 F70 Q92 F93 L159 F175 | C56-V68 WeakPolarHBondContact SG-CG1 3.5Å; E58-V68 WeakPolarHBondContact O-CA 3.46Å; I59-V68 HydrophobicContact CB-CG2 4.11Å; I59-V68 HydrophobicContact CD1-CG2 4.13Å; I59-V68 HydrophobicContact CG1-CG2 3.83Å; V68-F70 HydrophobicContact CB-CE2 4.31Å; V68-F70 HydrophobicContact CG1-CD2 4.47Å; V68-F70 HydrophobicContact CG1-CE2 3.68Å; V68-F70 HydrophobicContact CG1-CZ 4Å; V68-Q92 CarbonylContact O-C 3.49Å; V68-Q92 WeakPolarHBondContact O-CA 3.32Å; V68-Q92 WeakPolarHBondContact O-CB 3.14Å; V68-F93 HydrophobicContact CB-CD1 4.09Å; V68-F93 HydrophobicContact CB-CD2 4.28Å; V68-F93 HydrophobicContact CB-CE1 3.63Å; V68-F93 HydrophobicContact CB-CE2 3.81Å; V68-F93 HydrophobicContact CB-CG 4.39Å; V68-F93 HydrophobicContact CB-CZ 3.49Å; V68-F93 VanDerWaalsContact CB-CZ 3.49Å; V68-F93 HydrophobicContact CG1-CD1 4.48Å; V68-F93 HydrophobicContact CG1-CE1 3.79Å; V68-F93 HydrophobicContact CG1-CZ 3.93Å; V68-F93 HydrophobicContact CG2-CD2 4.38Å; V68-F93 HydrophobicContact CG2-CE1 4.08Å; V68-F93 HydrophobicContact CG2-CE2 3.55Å; V68-F93 HydrophobicContact CG2-CZ 3.39Å; V68-F93 PolarHBondContact N-O 2.99Å; V68-F93 PolarHBondContact O-N 2.96Å; V68-L159 HydrophobicContact CG2-CD2 3.71Å; V68-F175 HydrophobicContact CG1-CD1 3.77Å; V68-F175 HydrophobicContact CG1-CE1 4.17Å; V68-F175 HydrophobicContact CG2-CD1 4.19Å; V68-F175 HydrophobicContact CG2-CE1 4.25Å |
| 69 | T | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 10% | 0.104 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.8 | -174.2 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | L57 E58 Q67 | L57-T69 HydrophobicContact CD1-CG2 4.49Å; L57-T69 PolarHBondContact N-O 3.2Å; E58-T69 PolarHBondContact O-N 3.02Å; Q67-T69 PolarHBondContact NE2-OG1 3.22Å |
| 70 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 149.6 | 177.9 | -65.6 | -100.4 | 0 | 0 | 0 | 111.4 | T55 C56 V68 L90 K91 F93 P180 | T55-F70 CarbonylContact O-C 3.44Å; T55-F70 VanDerWaalsContact O-CA 3.23Å; T55-F70 WeakPolarHBondContact O-CA 3.49Å; C56-F70 HydrophobicContact CB-CD1 3.95Å; C56-F70 HydrophobicContact CB-CE1 3.57Å; C56-F70 HydrophobicContact CB-CZ 4.2Å; V68-F70 HydrophobicContact CB-CE2 4.31Å; V68-F70 HydrophobicContact CG1-CD2 4.47Å; V68-F70 HydrophobicContact CG1-CE2 3.68Å; V68-F70 HydrophobicContact CG1-CZ 4Å; F70-L90 HydrophobicContact CB-CD2 4.38Å; F70-L90 HydrophobicContact CB-CG 4.42Å; F70-L90 HydrophobicContact CD1-CD2 3.89Å; F70-L90 HydrophobicContact CD2-CD2 3.67Å; F70-L90 HydrophobicContact CD2-CG 4.02Å; F70-L90 HydrophobicContact CE1-CD2 4.05Å; F70-L90 HydrophobicContact CE2-CD2 3.87Å; F70-L90 HydrophobicContact CG-CD2 3.7Å; F70-L90 HydrophobicContact CG-CG 4.16Å; F70-L90 HydrophobicContact CZ-CD2 4.05Å; F70-K91 PolarHBondContact N-O 3.08Å; F70-F93 AromaticContact CE2-CD1 3.56Å; F70-F93 HydrophobicContact CE2-CD1 3.56Å; F70-F93 AromaticContact CE2-CE1 3.69Å; F70-F93 HydrophobicContact CE2-CE1 3.69Å; F70-F93 HydrophobicContact CZ-CD1 4.02Å; F70-F93 AromaticContact CZ-CE1 3.77Å; F70-F93 HydrophobicContact CZ-CE1 3.77Å; F70-P180 HydrophobicContact CE1-CG 4.04Å; F70-P180 HydrophobicContact CZ-CB 4.41Å; F70-P180 HydrophobicContact CZ-CG 3.79Å |
| 71 | L | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 33.4 Ų | 33.4 | 38% | 0.377 | 17% | 0.174 | S | C | . | . | trans | -69 | 128.5 | 168.8 | -172.8 | 68 | 0 | 0 | 0 | 110.1 | T55 L57 D73 | T55-L71 PolarHBondContact O-N 3.35Å; L57-L71 HydrophobicContact CD1-CB 4.26Å; L57-L71 HydrophobicContact CD2-CB 4.32Å; L57-L71 HydrophobicContact CG-CB 4.46Å; L71-D73 HydrophobicContact CD1-CB 4.44Å; L71-D73 WeakPolarHBondContact CD2-OD1 3.32Å; L71-D73 WeakPolarHBondContact CG-OD1 3.28Å | ||
| 72 | D | 97.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | trans | -129.4 | 23.1 | -171.8 | 64.4 | -38.7 | 0 | 0 | 0 | 113.5 | R89 K91 W123 | D72-R89 HydrophobicContact CB-CB 4.31Å; D72-R89 WeakPolarHBondContact O-CD 3.41Å; D72-R89 PolarHBondContact O-NH1 3.26Å; D72-K91 HydrophobicContact CB-CD 4.43Å; D72-K91 IonicContact OD1-NZ 3.2Å; D72-K91 PolarHBondContact OD1-NZ 2.96Å; D72-K91 VanDerWaalsContact OD2-CD 3.26Å; D72-K91 WeakPolarHBondContact OD2-CD 3.23Å; D72-K91 IonicContact OD2-NZ 3.79Å; D72-K91 PolarHBondContact OD2-NZ 2.62Å; D72-K91 VanDerWaalsContact OD2-NZ 3.11Å; D72-W123 PolarHBondContact OD2-NE1 2.91Å | ||
| 73 | D | 96.2 | Very high | 97.8 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 51% | 0.513 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -73.6 | -28.6 | 179.9 | 64.2 | -16.5 | 0 | 0 | 0 | 113.2 | L71 R89 | L71-D73 HydrophobicContact CD1-CB 4.44Å; L71-D73 WeakPolarHBondContact CD2-OD1 3.32Å; L71-D73 WeakPolarHBondContact CG-OD1 3.28Å; D73-R89 PolarHBondContact O-NH1 2.73Å |
| 74 | I | 95.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 49% | 0.492 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -134 | 173.1 | 175.7 | 65.9 | 171.5 | 0 | 0 | 0 | 112.3 | S76 R89 | I74-S76 WeakPolarHBondContact CD1-OG 3.31Å; I74-S76 WeakPolarHBondContact CG1-OG 3.49Å; I74-S76 PolarHBondContact O-N 2.71Å; I74-R89 PolarHBondContact O-NE 2.79Å |
| 75 | D | 96.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 48.7 | -177.6 | -68.7 | 3.8 | 0 | 0 | 0 | 113.1 | T78 N87 R89 | D75-T78 HydrophobicContact CB-CG2 3.96Å; D75-N87 PolarHBondContact OD2-ND2 3.25Å; D75-R89 IonicContact OD1-CZ 3.18Å; D75-R89 IonicContact OD1-NE 3.66Å; D75-R89 PolarHBondContact OD1-NE 3.2Å; D75-R89 IonicContact OD1-NH2 2.79Å; D75-R89 PolarHBondContact OD1-NH2 2.77Å |
| 76 | S | 97.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -46.3 | 179.4 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | I74 | I74-S76 WeakPolarHBondContact CD1-OG 3.31Å; I74-S76 WeakPolarHBondContact CG1-OG 3.49Å; I74-S76 PolarHBondContact O-N 2.71Å |
| 77 | S | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -118.7 | 109.8 | -179.6 | -71 | 0 | 0 | 0 | 0 | 109.7 | K50 D52 T55 R89 L90 | K50-S77 CarbonylContact O-C 3.53Å; K50-S77 VanDerWaalsContact O-CA 3.29Å; K50-S77 WeakPolarHBondContact O-CA 3.39Å; D52-S77 PolarHBondContact N-OG 3.34Å; D52-S77 PolarHBondContact O-OG 3.38Å; T55-S77 PolarHBondContact OG1-OG 2.87Å; S77-R89 WeakPolarHBondContact O-CA 3.34Å; S77-L90 PolarHBondContact O-N 3.41Å |
| 78 | T | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.1 | -163 | 60.1 | 0 | 0 | 0 | 0 | 114.9 | K50 D75 N87 H88 R89 | K50-T78 PolarHBondContact N-O 2.99Å; K50-T78 PolarHBondContact O-N 3.34Å; D75-T78 HydrophobicContact CB-CG2 3.96Å; T78-N87 VanDerWaalsContact CB-OD1 3.28Å; T78-N87 WeakPolarHBondContact CB-OD1 3.13Å; T78-N87 WeakPolarHBondContact CG2-ND2 3.49Å; T78-H88 CarbonylContact C-O 3.49Å; T78-H88 WeakPolarHBondContact CA-O 3.43Å; T78-R89 HydrophobicContact CG2-CG 4.44Å |
| 79 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.8 | 165.9 | 163.3 | 65.4 | 0 | 0 | 0 | 109.3 | L47 L49 V84 N87 H88 A141 V143 I209 | L47-L79 HydrophobicContact CD2-CD1 4Å; L49-L79 HydrophobicContact CD2-CB 3.79Å; L49-L79 HydrophobicContact CD2-CD1 3.49Å; L49-L79 VanDerWaalsContact CD2-CD1 3.49Å; L49-L79 HydrophobicContact CD2-CG 4.16Å; L49-L79 HydrophobicContact CG-CD1 4.29Å; L79-V84 HydrophobicContact CG-CG2 4.28Å; L79-N87 PolarHBondContact O-OD1 3.42Å; L79-H88 HydrophobicContact CB-CB 4.32Å; L79-H88 PolarHBondContact N-O 3.15Å; L79-H88 PolarHBondContact O-N 3.22Å; L79-A141 HydrophobicContact CD2-CB 3.7Å; L79-V143 HydrophobicContact CD2-CG2 4.2Å; L79-I209 HydrophobicContact CD1-CD1 4.46Å; L79-I209 HydrophobicContact CD2-CD1 3.73Å |
| 80 | K | 97.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 43 Ų | 43 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 164.8 | 175.5 | -64.3 | 179 | -178.1 | 177.3 | 0 | 111 | V48 N87 | V48-K80 HydrophobicContact CB-CB 4.12Å; V48-K80 HydrophobicContact CG1-CB 4.46Å; V48-K80 PolarHBondContact N-O 3.04Å; V48-K80 PolarHBondContact O-N 3.24Å; K80-N87 WeakPolarHBondContact CE-ND2 3.47Å; K80-N87 WeakPolarHBondContact CE-OD1 3.19Å; K80-N87 HydrophobicContact CG-CB 4.43Å; K80-N87 WeakPolarHBondContact CG-OD1 3.48Å |
| 81 | D | 97.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.7 | -149.5 | -179.3 | -72.1 | -51 | 0 | 0 | 0 | 112.4 | K45 P46 V48 V84 | K45-D81 HydrophobicContact CB-CB 4.12Å; K45-D81 HydrophobicContact CD-CB 4.02Å; K45-D81 WeakPolarHBondContact CD-OD1 3.5Å; K45-D81 IonicContact NZ-OD1 2.83Å; K45-D81 PolarHBondContact NZ-OD1 3.25Å; P46-D81 WeakPolarHBondContact O-CB 3.4Å; V48-D81 HydrophobicContact CG2-CB 4.13Å; D81-V84 WeakPolarHBondContact O-CG2 3.49Å; D81-V84 PolarHBondContact O-N 2.88Å |
| 82 | G | 97.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -129.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K45 P46 Y190 | K45-G82 WeakPolarHBondContact O-CA 3.39Å; P46-G82 PolarHBondContact O-N 2.77Å; G82-Y190 WeakPolarHBondContact CA-OH 3.23Å |
| 83 | P | 97.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 13% | 0.13 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.3 | 175.6 | 34.4 | -32.7 | 0 | 0 | 0 | 113.8 | L44 Y190 T192 T207 I209 | L44-P83 HydrophobicContact CD2-CB 3.9Å; P83-Y190 HydrophobicContact CG-CE2 4.22Å; P83-T192 HydrophobicContact CB-CG2 3.98Å; P83-T192 WeakPolarHBondContact CB-OG1 3.39Å; P83-T192 HydrophobicContact CG-CG2 4.34Å; P83-T192 WeakPolarHBondContact CG-OG1 3.37Å; P83-T207 HydrophobicContact CB-CG2 4.18Å; P83-T207 HydrophobicContact CG-CG2 3.99Å; P83-I209 HydrophobicContact CG-CD1 3.84Å; P83-I209 HydrophobicContact CG-CG1 3.53Å |
| 84 | V | 97.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | trans | -91.6 | 143.8 | -176.1 | -60.1 | 0 | 0 | 0 | 0 | 112 | L79 D81 A141 T207 | L79-V84 HydrophobicContact CG-CG2 4.28Å; D81-V84 WeakPolarHBondContact O-CG2 3.49Å; D81-V84 PolarHBondContact O-N 2.88Å; V84-A141 HydrophobicContact CG1-CB 3.74Å; V84-T207 HydrophobicContact CG1-CG2 4.39Å | ||
| 85 | L | 93.7 | Very high | 97.8 | Very high | 160 Ų | 160 | 33.7 Ų | 33.7 | 84% | 0.838 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -90.7 | -33.4 | -178.3 | -65 | 178 | 0 | 0 | 0 | 113.5 | ||
| 86 | F | 95.6 | Very high | 97.9 | Very high | 95 Ų | 95 | 30.3 Ų | 30.3 | 42% | 0.417 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -115.2 | 166 | -174.7 | -64.1 | -81.9 | 0 | 0 | 0 | 110.5 | H88 N124 K126 | F86-H88 PolarHBondContact O-CE1 3.4Å; F86-H88 PolarHBondContact O-ND1 2.82Å; F86-N124 WeakPolarHBondContact CB-OD1 3.46Å; F86-K126 HydrophobicContact CD1-CB 4.49Å; F86-K126 HydrophobicContact CD2-CB 4.47Å; F86-K126 HydrophobicContact CD2-CD 4.12Å; F86-K126 HydrophobicContact CE2-CD 3.83Å; F86-K126 HydrophobicContact CG-CB 4.31Å; F86-K126 HydrophobicContact CZ-CD 4.14Å |
| 87 | N | 97.5 | Very high | 98 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | trans | -64 | 138.6 | 172.1 | -166.1 | 23.3 | 0 | 0 | 0 | 110.1 | D75 T78 L79 K80 T125 | D75-N87 PolarHBondContact OD2-ND2 3.25Å; T78-N87 VanDerWaalsContact CB-OD1 3.28Å; T78-N87 WeakPolarHBondContact CB-OD1 3.13Å; T78-N87 WeakPolarHBondContact CG2-ND2 3.49Å; L79-N87 PolarHBondContact O-OD1 3.42Å; K80-N87 WeakPolarHBondContact CE-ND2 3.47Å; K80-N87 WeakPolarHBondContact CE-OD1 3.19Å; K80-N87 HydrophobicContact CG-CB 4.43Å; K80-N87 WeakPolarHBondContact CG-OD1 3.48Å; N87-T125 HydrophobicContact CB-CG2 4.39Å; N87-T125 WeakPolarHBondContact O-CG2 3.38Å; N87-T125 PolarHBondContact O-N 2.88Å; N87-T125 PolarHBondContact O-OG1 2.97Å; N87-T125 VanDerWaalsContact O-OG1 3.11Å | ||
| 88 | H | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.1 | 173.5 | -69.7 | 62 | 0 | 0 | 0 | 109.9 | T78 L79 F86 H122 W123 N124 | T78-H88 CarbonylContact C-O 3.49Å; T78-H88 WeakPolarHBondContact CA-O 3.43Å; L79-H88 HydrophobicContact CB-CB 4.32Å; L79-H88 PolarHBondContact N-O 3.15Å; L79-H88 PolarHBondContact O-N 3.22Å; F86-H88 PolarHBondContact O-CE1 3.4Å; F86-H88 PolarHBondContact O-ND1 2.82Å; H88-H122 HydrophobicContact CB-CB 3.64Å; H88-W123 CarbonylContact C-O 3.45Å; H88-W123 WeakPolarHBondContact CA-O 3.32Å; H88-N124 PolarHBondContact CD2-N 3.22Å; H88-N124 VanDerWaalsContact CD2-N 3.34Å; H88-N124 VanDerWaalsContact NE2-CB 3.33Å; H88-N124 WeakPolarHBondContact NE2-CB 3.43Å |
| 89 | R | 98.8 | Very high | 98.1 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.9 | 176.8 | -72.2 | 173.7 | -169 | 178.7 | -2.5 | 110.7 | D72 D73 I74 D75 S77 T78 K91 H122 W123 T125 | D72-R89 HydrophobicContact CB-CB 4.31Å; D72-R89 WeakPolarHBondContact O-CD 3.41Å; D72-R89 PolarHBondContact O-NH1 3.26Å; D73-R89 PolarHBondContact O-NH1 2.73Å; I74-R89 PolarHBondContact O-NE 2.79Å; D75-R89 IonicContact OD1-CZ 3.18Å; D75-R89 IonicContact OD1-NE 3.66Å; D75-R89 PolarHBondContact OD1-NE 3.2Å; D75-R89 IonicContact OD1-NH2 2.79Å; D75-R89 PolarHBondContact OD1-NH2 2.77Å; S77-R89 WeakPolarHBondContact O-CA 3.34Å; T78-R89 HydrophobicContact CG2-CG 4.44Å; R89-K91 PolarHBondContact O-N 2.7Å; R89-H122 CarbonylContact O-C 3.48Å; R89-H122 WeakPolarHBondContact O-CA 3.37Å; R89-H122 WeakPolarHBondContact O-CB 3.36Å; R89-W123 HydrophobicContact CB-CZ2 4.39Å; R89-W123 PolarHBondContact N-O 3.32Å; R89-W123 VanDerWaalsContact O-CD1 3.31Å; R89-W123 PolarHBondContact O-N 3.07Å; R89-T125 HydrophobicContact CB-CG2 4.45Å; R89-T125 HydrophobicContact CG-CG2 3.6Å |
| 90 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 126.5 | 171.8 | 178.4 | 67.4 | 0 | 0 | 0 | 109.1 | Y51 F70 S77 L120 P180 | Y51-L90 HydrophobicContact CD1-CB 4.4Å; Y51-L90 HydrophobicContact CD1-CD2 3.94Å; Y51-L90 HydrophobicContact CE1-CB 4.07Å; Y51-L90 HydrophobicContact CE1-CD2 3.94Å; Y51-L90 HydrophobicContact CE1-CG 4.42Å; F70-L90 HydrophobicContact CB-CD2 4.38Å; F70-L90 HydrophobicContact CB-CG 4.42Å; F70-L90 HydrophobicContact CD1-CD2 3.89Å; F70-L90 HydrophobicContact CD2-CD2 3.67Å; F70-L90 HydrophobicContact CD2-CG 4.02Å; F70-L90 HydrophobicContact CE1-CD2 4.05Å; F70-L90 HydrophobicContact CE2-CD2 3.87Å; F70-L90 HydrophobicContact CG-CD2 3.7Å; F70-L90 HydrophobicContact CG-CG 4.16Å; F70-L90 HydrophobicContact CZ-CD2 4.05Å; S77-L90 PolarHBondContact O-N 3.41Å; L90-L120 HydrophobicContact CD1-CB 4.33Å; L90-L120 HydrophobicContact CD1-CD2 4.14Å; L90-P180 HydrophobicContact CD2-CG 3.62Å |
| 91 | K | 98.7 | Very high | 98.1 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -48.7 | 174.2 | -177.8 | 56.7 | 173 | 178.3 | 0 | 112 | F70 D72 R89 V121 F130 | F70-K91 PolarHBondContact N-O 3.08Å; D72-K91 HydrophobicContact CB-CD 4.43Å; D72-K91 IonicContact OD1-NZ 3.2Å; D72-K91 PolarHBondContact OD1-NZ 2.96Å; D72-K91 VanDerWaalsContact OD2-CD 3.26Å; D72-K91 WeakPolarHBondContact OD2-CD 3.23Å; D72-K91 IonicContact OD2-NZ 3.79Å; D72-K91 PolarHBondContact OD2-NZ 2.62Å; D72-K91 VanDerWaalsContact OD2-NZ 3.11Å; R89-K91 PolarHBondContact O-N 2.7Å; K91-V121 PolarHBondContact N-O 2.87Å; K91-F130 HydrophobicContact CB-CD2 3.96Å; K91-F130 HydrophobicContact CB-CE2 4.13Å; K91-F130 HydrophobicContact CD-CD2 4.47Å; K91-F130 HydrophobicContact CG-CD2 3.82Å; K91-F130 HydrophobicContact CG-CE2 4.07Å; K91-F130 HydrophobicContact CG-CG 4.38Å |
| 92 | Q | 98.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 165.6 | -173.1 | 54.8 | 85.9 | -18 | 0 | 0 | 110.6 | Q67 V68 H94 V121 | Q67-Q92 HydrophobicContact CG-CB 3.69Å; Q67-Q92 HydrophobicContact CG-CG 4.06Å; V68-Q92 CarbonylContact O-C 3.49Å; V68-Q92 WeakPolarHBondContact O-CA 3.32Å; V68-Q92 WeakPolarHBondContact O-CB 3.14Å; Q92-H94 PolarHBondContact NE2-ND1 3.21Å; Q92-H94 PolarHBondContact OE1-ND1 3.36Å; Q92-V121 HydrophobicContact CG-CB 4.24Å; Q92-V121 PolarHBondContact O-N 3.42Å |
| 93 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 159.5 | 154.6 | 69.6 | -103.1 | 0 | 0 | 0 | 112.1 | F66 Q67 V68 F70 F95 L118 H119 L120 L159 F178 P180 L183 | F66-F93 HydrophobicContact CE2-CE2 4.4Å; Q67-F93 WeakPolarHBondContact CA-O 3.44Å; V68-F93 HydrophobicContact CB-CD1 4.09Å; V68-F93 HydrophobicContact CB-CD2 4.28Å; V68-F93 HydrophobicContact CB-CE1 3.63Å; V68-F93 HydrophobicContact CB-CE2 3.81Å; V68-F93 HydrophobicContact CB-CG 4.39Å; V68-F93 HydrophobicContact CB-CZ 3.49Å; V68-F93 VanDerWaalsContact CB-CZ 3.49Å; V68-F93 HydrophobicContact CG1-CD1 4.48Å; V68-F93 HydrophobicContact CG1-CE1 3.79Å; V68-F93 HydrophobicContact CG1-CZ 3.93Å; V68-F93 HydrophobicContact CG2-CD2 4.38Å; V68-F93 HydrophobicContact CG2-CE1 4.08Å; V68-F93 HydrophobicContact CG2-CE2 3.55Å; V68-F93 HydrophobicContact CG2-CZ 3.39Å; V68-F93 PolarHBondContact N-O 2.99Å; V68-F93 PolarHBondContact O-N 2.96Å; F70-F93 AromaticContact CE2-CD1 3.56Å; F70-F93 HydrophobicContact CE2-CD1 3.56Å; F70-F93 AromaticContact CE2-CE1 3.69Å; F70-F93 HydrophobicContact CE2-CE1 3.69Å; F70-F93 HydrophobicContact CZ-CD1 4.02Å; F70-F93 AromaticContact CZ-CE1 3.77Å; F70-F93 HydrophobicContact CZ-CE1 3.77Å; F93-F95 HydrophobicContact CD2-CD2 4.36Å; F93-F95 AromaticContact CD2-CE2 3.81Å; F93-F95 HydrophobicContact CD2-CE2 3.81Å; F93-F95 AromaticContact CE2-CE2 3.77Å; F93-F95 HydrophobicContact CE2-CE2 3.77Å; F93-L118 HydrophobicContact CB-CD1 3.85Å; F93-L118 HydrophobicContact CD2-CD1 3.79Å; F93-L118 HydrophobicContact CG-CD1 4.04Å; F93-H119 WeakPolarHBondContact CA-O 3.06Å; F93-H119 VanDerWaalsContact CB-O 3.24Å; F93-H119 WeakPolarHBondContact CB-O 3.18Å; F93-L120 HydrophobicContact CB-CD2 3.73Å; F93-L120 HydrophobicContact CB-CG 4.2Å; F93-L120 HydrophobicContact CD1-CD2 4.03Å; F93-L120 HydrophobicContact CG-CD2 4.19Å; F93-L159 HydrophobicContact CE2-CD1 3.93Å; F93-L159 HydrophobicContact CE2-CD2 4.11Å; F93-L159 HydrophobicContact CZ-CD1 4.07Å; F93-L159 HydrophobicContact CZ-CD2 3.87Å; F93-F178 AromaticContact CE1-CD1 3.88Å; F93-F178 HydrophobicContact CE1-CD1 3.88Å; F93-F178 AromaticContact CE1-CE1 3.72Å; F93-F178 HydrophobicContact CE1-CE1 3.72Å; F93-F178 HydrophobicContact CZ-CD1 4.06Å; F93-F178 AromaticContact CZ-CE1 3.65Å; F93-F178 HydrophobicContact CZ-CE1 3.65Å; F93-F178 HydrophobicContact CZ-CZ 4.4Å; F93-P180 HydrophobicContact CD1-CB 4.12Å; F93-P180 HydrophobicContact CE1-CB 4.17Å; F93-L183 HydrophobicContact CE2-CD1 4.24Å; F93-L183 HydrophobicContact CZ-CD1 4.12Å |
| 94 | H | 98.9 | Very high | 98.3 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 176.1 | 175.6 | 59.8 | -73.9 | 0 | 0 | 0 | 109.9 | F66 Q92 H96 H119 | F66-H94 WeakPolarHBondContact O-CB 3.39Å; Q92-H94 PolarHBondContact NE2-ND1 3.21Å; Q92-H94 PolarHBondContact OE1-ND1 3.36Å; H94-H96 AromaticContact CD2-NE2 3.59Å; H94-H96 AromaticContact NE2-NE2 3.48Å; H94-H96 PolarHBondContact NE2-NE2 3.08Å; H94-H119 PolarHBondContact N-O 2.8Å; H94-H119 VanDerWaalsContact N-O 3.13Å; H94-H119 AromaticContact NE2-ND1 3.67Å; H94-H119 PolarHBondContact O-N 3.47Å |
| 95 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.7 | -179 | -67.8 | -108.3 | 0 | 0 | 0 | 111.2 | S65 F66 F93 W97 E117 L118 L147 L156 L159 L183 F225 N243 | S65-F95 PolarHBondContact OG-N 2.82Å; S65-F95 PolarHBondContact OG-O 3.37Å; F66-F95 HydrophobicContact CE1-CB 4.39Å; F66-F95 AromaticContact CE1-CD2 3.99Å; F66-F95 HydrophobicContact CE1-CD2 3.99Å; F66-F95 HydrophobicContact CE1-CG 4.46Å; F66-F95 AromaticContact CE2-CD2 3.68Å; F66-F95 HydrophobicContact CE2-CD2 3.68Å; F66-F95 AromaticContact CE2-CE2 3.86Å; F66-F95 HydrophobicContact CE2-CE2 3.86Å; F66-F95 HydrophobicContact CZ-CB 4.42Å; F66-F95 AromaticContact CZ-CD2 3.21Å; F66-F95 HydrophobicContact CZ-CD2 3.21Å; F66-F95 AromaticContact CZ-CE2 3.57Å; F66-F95 HydrophobicContact CZ-CE2 3.57Å; F66-F95 HydrophobicContact CZ-CG 4.04Å; F93-F95 HydrophobicContact CD2-CD2 4.36Å; F93-F95 AromaticContact CD2-CE2 3.81Å; F93-F95 HydrophobicContact CD2-CE2 3.81Å; F93-F95 AromaticContact CE2-CE2 3.77Å; F93-F95 HydrophobicContact CE2-CE2 3.77Å; F95-W97 HydrophobicContact CB-CE3 3.81Å; F95-W97 HydrophobicContact CB-CZ3 3.93Å; F95-W97 VanDerWaalsContact O-CZ3 3.23Å; F95-W97 WeakPolarHBondContact O-CZ3 3.31Å; F95-E117 CarbonylContact C-O 3.58Å; F95-E117 VanDerWaalsContact CA-O 3.31Å; F95-E117 WeakPolarHBondContact CA-O 3.43Å; F95-L118 HydrophobicContact CD1-CB 3.83Å; F95-L118 HydrophobicContact CD1-CD1 4.45Å; F95-L118 HydrophobicContact CD2-CD1 4.17Å; F95-L118 HydrophobicContact CE1-CB 3.6Å; F95-L118 HydrophobicContact CE1-CD1 4.07Å; F95-L118 HydrophobicContact CE1-CG 4.27Å; F95-L118 HydrophobicContact CE2-CD1 3.74Å; F95-L118 HydrophobicContact CZ-CB 4.12Å; F95-L118 HydrophobicContact CZ-CD1 3.7Å; F95-L118 HydrophobicContact CZ-CD2 4.39Å; F95-L118 HydrophobicContact CZ-CG 4.29Å; F95-L147 HydrophobicContact CD1-CD1 3.93Å; F95-L147 HydrophobicContact CD1-CD2 4.28Å; F95-L147 HydrophobicContact CE1-CD1 3.87Å; F95-L147 HydrophobicContact CE1-CD2 3.96Å; F95-L156 HydrophobicContact CE1-CD2 4.19Å; F95-L156 HydrophobicContact CZ-CD2 3.83Å; F95-L159 HydrophobicContact CE2-CD1 4.17Å; F95-L159 HydrophobicContact CZ-CD1 4.35Å; F95-L183 HydrophobicContact CZ-CD1 4.21Å; F95-F225 HydrophobicContact CB-CE1 4.05Å; F95-F225 AromaticContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CZ 4.43Å; F95-F225 HydrophobicContact CD2-CE1 4.16Å; F95-F225 HydrophobicContact CE1-CE1 4.24Å; F95-F225 HydrophobicContact CE1-CZ 4.38Å; F95-F225 AromaticContact CG-CE1 3.78Å; F95-F225 HydrophobicContact CG-CE1 3.78Å; F95-N243 PolarHBondContact O-ND2 3.04Å |
| 96 | H | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.1 | 163.7 | -64.9 | -89.1 | 0 | 0 | 0 | 108.5 | H94 G104 E106 A116 E117 H119 N243 | H94-H96 AromaticContact CD2-NE2 3.59Å; H94-H96 AromaticContact NE2-NE2 3.48Å; H94-H96 PolarHBondContact NE2-NE2 3.08Å; H96-G104 CarbonylContact C-O 3.07Å; H96-E106 HydrophobicContact CB-CG 3.98Å; H96-E106 IonicContact CD2-OE2 3.54Å; H96-E106 IonicContact CE1-OE1 3.66Å; H96-E106 IonicContact CE1-OE2 3.7Å; H96-E106 IonicContact CG-OE2 3.93Å; H96-E106 IonicContact ND1-OE1 3.51Å; H96-E106 IonicContact ND1-OE2 3.59Å; H96-E106 IonicContact NE2-OE2 2.71Å; H96-E106 PolarHBondContact NE2-OE2 3.36Å; H96-A116 CarbonylContact O-C 3.56Å; H96-A116 WeakPolarHBondContact O-CA 3.33Å; H96-A116 WeakPolarHBondContact O-CB 3.45Å; H96-E117 PolarHBondContact N-O 2.77Å; H96-E117 PolarHBondContact O-N 2.87Å; H96-H119 AromaticContact CD2-CE1 3.38Å; H96-H119 PolarHBondContact CD2-CE1 2.97Å; H96-H119 AromaticContact CD2-ND1 3.53Å; H96-H119 AromaticContact NE2-CE1 3.64Å; H96-H119 AromaticContact NE2-ND1 3.55Å; H96-N243 WeakPolarHBondContact CA-OD1 3.11Å; H96-N243 PolarHBondContact ND1-O 2.92Å |
| 97 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159 | -178.9 | 62.2 | 90.3 | 0 | 0 | 0 | 112.7 | F66 F95 P115 A116 M222 F225 L228 M240 D242 N243 | F66-W97 AromaticContact CD1-CH2 3.85Å; F66-W97 HydrophobicContact CD1-CH2 3.85Å; F66-W97 AromaticContact CD1-CZ3 3.99Å; F66-W97 HydrophobicContact CD1-CZ3 3.99Å; F66-W97 HydrophobicContact CE1-CH2 4.22Å; F66-W97 AromaticContact CE1-CZ3 3.98Å; F66-W97 HydrophobicContact CE1-CZ3 3.98Å; F95-W97 HydrophobicContact CB-CE3 3.81Å; F95-W97 HydrophobicContact CB-CZ3 3.93Å; F95-W97 VanDerWaalsContact O-CZ3 3.23Å; F95-W97 WeakPolarHBondContact O-CZ3 3.31Å; W97-P115 WeakPolarHBondContact CA-O 3.33Å; W97-A116 HydrophobicContact CB-CB 3.88Å; W97-M222 HydrophobicContact CB-CE 3.79Å; W97-F225 HydrophobicContact CD2-CB 4.22Å; W97-F225 HydrophobicContact CD2-CD1 4.11Å; W97-F225 AromaticContact CE3-CD1 3.91Å; W97-F225 HydrophobicContact CE3-CD1 3.91Å; W97-F225 HydrophobicContact CG-CB 4.28Å; W97-F225 HydrophobicContact CZ3-CD1 4.3Å; W97-L228 HydrophobicContact CH2-CD1 4.12Å; W97-L228 HydrophobicContact CZ2-CD1 4.21Å; W97-M240 HydrophobicContact CH2-CG 4.03Å; W97-M240 HydrophobicContact CH2-SD 3.39Å; W97-M240 WeakPolarHBondContact CH2-SD 3.38Å; W97-M240 HydrophobicContact CZ2-CB 3.99Å; W97-M240 HydrophobicContact CZ2-CG 3.41Å; W97-M240 VanDerWaalsContact CZ2-CG 3.41Å; W97-M240 HydrophobicContact CZ2-SD 3.38Å; W97-M240 WeakPolarHBondContact CZ2-SD 3.38Å; W97-M240 PolarHBondContact NE1-O 3.11Å; W97-D242 WeakPolarHBondContact O-CA 3.34Å; W97-D242 PolarHBondContact O-N 2.8Å; W97-D242 VanDerWaalsContact O-N 3.15Å; W97-N243 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N243 PolarHBondContact N-OD1 3.46Å; W97-N243 PolarHBondContact O-N 3.09Å; W97-N243 PolarHBondContact O-OD1 3.46Å; W97-N243 VanDerWaalsContact O-OD1 3.07Å |
| 98 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -100.3 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S100 H103 P115 R226 D242 | G98-S100 PolarHBondContact O-N 3.07Å; G98-H103 VanDerWaalsContact CA-O 3.29Å; G98-H103 WeakPolarHBondContact CA-O 3.47Å; G98-H103 PolarHBondContact N-O 3.11Å; G98-P115 PolarHBondContact N-O 2.97Å; G98-R226 PolarHBondContact O-NE 3.39Å; G98-D242 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 99 | S | 98.6 | Very high | 98.8 | Very high | 55 Ų | 55 | 21.9 Ų | 21.9 | 39% | 0.385 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -70.4 | -18.3 | 174.5 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | H103 R226 D242 | S99-H103 PolarHBondContact OG-NE2 2.95Å; S99-R226 WeakPolarHBondContact O-CD 3.48Å; S99-R226 PolarHBondContact O-NE 3Å; S99-D242 WeakPolarHBondContact CB-OD2 3.14Å; S99-D242 PolarHBondContact N-OD1 3.19Å; S99-D242 PolarHBondContact OG-OD1 3.05Å; S99-D242 PolarHBondContact OG-OD2 3.19Å |
| 100 | S | 98.5 | Very high | 98.8 | Very high | 45 Ų | 45 | 23 Ų | 23 | 32% | 0.315 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -140.6 | 172.8 | 174.5 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | G98 D102 H103 R226 | G98-S100 PolarHBondContact O-N 3.07Å; S100-D102 VanDerWaalsContact C-N 3.26Å; S100-D102 WeakPolarHBondContact CB-OD1 3.43Å; S100-D102 PolarHBondContact O-N 2.79Å; S100-D102 PolarHBondContact OG-OD1 2.98Å; S100-H103 PolarHBondContact OG-CE1 2.95Å; S100-H103 PolarHBondContact OG-ND1 2.81Å; S100-R226 PolarHBondContact O-NH2 3.12Å |
| 101 | D | 98.8 | Very high | 98.8 | Very high | 49 Ų | 49 | 25.4 Ų | 25.4 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.5 | -170.5 | -78.9 | 2.7 | 0 | 0 | 0 | 114.5 | P115 I149 S219 R226 | D101-P115 WeakPolarHBondContact O-CB 3.42Å; D101-I149 HydrophobicContact CB-CD1 3.92Å; D101-I149 HydrophobicContact CB-CG1 3.7Å; D101-I149 VanDerWaalsContact CG-CD1 3.46Å; D101-S219 WeakPolarHBondContact OD2-CB 3.42Å; D101-S219 PolarHBondContact OD2-OG 2.94Å; D101-R226 IonicContact OD1-CZ 3.64Å; D101-R226 IonicContact OD1-NH1 3.42Å; D101-R226 PolarHBondContact OD1-NH1 3.01Å; D101-R226 IonicContact OD1-NH2 3.19Å; D101-R226 PolarHBondContact OD1-NH2 2.89Å |
| 102 | D | 98.3 | Very high | 98.8 | Very high | 114 Ų | 114 | 26.7 Ų | 26.7 | 61% | 0.61 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.4 | -177.9 | 64.1 | -21.3 | 0 | 0 | 0 | 113.7 | S100 | S100-D102 VanDerWaalsContact C-N 3.26Å; S100-D102 WeakPolarHBondContact CB-OD1 3.43Å; S100-D102 PolarHBondContact O-N 2.79Å; S100-D102 PolarHBondContact OG-OD1 2.98Å |
| 103 | H | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | trans | -158.7 | 164.9 | 179.2 | 65.5 | -89.2 | 0 | 0 | 0 | 113 | G98 S99 S100 K113 Y114 P115 D242 Y244 | G98-H103 VanDerWaalsContact CA-O 3.29Å; G98-H103 WeakPolarHBondContact CA-O 3.47Å; G98-H103 PolarHBondContact N-O 3.11Å; S99-H103 PolarHBondContact OG-NE2 2.95Å; S100-H103 PolarHBondContact OG-CE1 2.95Å; S100-H103 PolarHBondContact OG-ND1 2.81Å; H103-K113 HydrophobicContact CB-CB 4.26Å; H103-K113 HydrophobicContact CB-CD 3.7Å; H103-Y114 CarbonylContact C-O 3.52Å; H103-Y114 WeakPolarHBondContact CA-O 3.16Å; H103-P115 WeakPolarHBondContact O-CA 3.49Å; H103-D242 IonicContact CD2-OD1 3.11Å; H103-D242 IonicContact NE2-OD1 3.72Å; H103-D242 PolarHBondContact NE2-OD1 3.02Å; H103-D242 VanDerWaalsContact NE2-OD1 3.11Å; H103-Y244 AromaticContact CD2-CE1 3.74Å; H103-Y244 AromaticContact CD2-CZ 3.84Å; H103-Y244 PolarHBondContact CD2-OH 2.78Å; H103-Y244 VanDerWaalsContact CD2-OH 3.24Å | ||
| 104 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | 145.6 | -22.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | H96 Y114 P115 Y244 | H96-G104 CarbonylContact C-O 3.07Å; G104-Y114 CarbonylContact C-O 3.42Å; G104-Y114 WeakPolarHBondContact CA-O 3.33Å; G104-Y114 PolarHBondContact N-O 2.78Å; G104-P115 WeakPolarHBondContact CA-O 3.26Å; G104-Y244 WeakPolarHBondContact O-CB 3.33Å | ||
| 105 | S | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -66.5 | 149.3 | 169.3 | 68 | 0 | 0 | 0 | 0 | 111.4 | H107 Y114 | S105-H107 WeakPolarHBondContact CB-O 3.13Å; S105-H107 PolarHBondContact OG-O 2.89Å; S105-Y114 PolarHBondContact N-O 3.41Å; S105-Y114 PolarHBondContact OG-N 3.33Å | ||
| 106 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -84.7 | -52.5 | 177.9 | -83.9 | -158.2 | 132.4 | 0 | 0 | 110.2 | P30 H96 E117 H119 T198 R245 | P30-E106 HydrophobicContact CB-CB 3.79Å; P30-E106 WeakPolarHBondContact CB-O 3.38Å; P30-E106 VanDerWaalsContact CG-C 3.48Å; P30-E106 HydrophobicContact CG-CB 3.69Å; P30-E106 HydrophobicContact CG-CG 4.39Å; P30-E106 WeakPolarHBondContact CG-O 3.45Å; H96-E106 HydrophobicContact CB-CG 3.98Å; H96-E106 IonicContact CD2-OE2 3.54Å; H96-E106 IonicContact CE1-OE1 3.66Å; H96-E106 IonicContact CE1-OE2 3.7Å; H96-E106 IonicContact CG-OE2 3.93Å; H96-E106 IonicContact ND1-OE1 3.51Å; H96-E106 IonicContact ND1-OE2 3.59Å; H96-E106 IonicContact NE2-OE2 2.71Å; H96-E106 PolarHBondContact NE2-OE2 3.36Å; E106-E117 PolarHBondContact N-OE2 3.3Å; E106-H119 IonicContact OE2-CE1 3.62Å; E106-H119 PolarHBondContact OE2-CE1 3.38Å; E106-T198 VanDerWaalsContact CD-CB 3.49Å; E106-T198 WeakPolarHBondContact OE1-CB 3.2Å; E106-T198 PolarHBondContact OE1-OG1 2.99Å; E106-T198 WeakPolarHBondContact OE2-CB 3.28Å; E106-T198 WeakPolarHBondContact OE2-CG2 3.45Å; E106-T198 PolarHBondContact OE2-OG1 3.1Å; E106-R245 WeakPolarHBondContact OE1-CA 3.03Å; E106-R245 WeakPolarHBondContact OE1-CB 3.29Å; E106-R245 PolarHBondContact OE1-N 2.92Å |
| 107 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -70.6 | 153.1 | 168.3 | -65.9 | 89.1 | 0 | 0 | 0 | 110.4 | S105 E117 F146 Y193 W208 | S105-H107 WeakPolarHBondContact CB-O 3.13Å; S105-H107 PolarHBondContact OG-O 2.89Å; H107-E117 IonicContact CE1-OE1 2.8Å; H107-E117 IonicContact CG-OE1 3.82Å; H107-E117 PolarHBondContact N-OE2 2.77Å; H107-E117 IonicContact ND1-OE1 3.34Å; H107-E117 PolarHBondContact ND1-OE1 3.35Å; H107-E117 IonicContact ND1-OE2 3.83Å; H107-F146 HydrophobicContact CB-CE1 3.75Å; H107-F146 HydrophobicContact CB-CZ 3.6Å; H107-F146 WeakPolarHBondContact O-CE1 3.36Å; H107-Y193 AromaticContact NE2-CE1 3.48Å; H107-Y193 WeakPolarHBondContact NE2-CE1 3.41Å; H107-Y193 AromaticContact NE2-CZ 3.47Å; H107-Y193 PolarHBondContact NE2-OH 3.06Å; H107-W208 AromaticContact CE1-CD2 3.69Å; H107-W208 AromaticContact CE1-CE2 3.97Å; H107-W208 AromaticContact CE1-CE3 3.45Å; H107-W208 VanDerWaalsContact CE1-CE3 3.45Å; H107-W208 AromaticContact CE1-CH2 3.9Å; H107-W208 AromaticContact CE1-CZ3 3.55Å |
| 108 | T | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.8 | 171.2 | 62 | 0 | 0 | 0 | 0 | 109.9 | I31 N32 I33 T112 K113 P247 | I31-T108 PolarHBondContact O-N 3.23Å; N32-T108 WeakPolarHBondContact CA-OG1 3.15Å; N32-T108 VanDerWaalsContact CB-OG1 3.26Å; N32-T108 WeakPolarHBondContact CB-OG1 3.31Å; N32-T108 VanDerWaalsContact CG-OG1 3.3Å; N32-T108 PolarHBondContact OD1-O 2.86Å; N32-T108 PolarHBondContact OD1-OG1 3.36Å; I33-T108 PolarHBondContact N-O 2.8Å; T108-T112 CarbonylContact C-O 3.44Å; T108-T112 WeakPolarHBondContact CA-O 3.07Å; T108-T112 VanDerWaalsContact CB-O 3.26Å; T108-T112 WeakPolarHBondContact CB-O 3.32Å; T108-K113 HydrophobicContact CG2-CG 3.65Å; T108-P247 HydrophobicContact CG2-CG 4Å |
| 109 | V | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 110 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | I33 P35 G111 T112 Y114 F146 W191 | I33-V109 CarbonylContact O-C 3.32Å; I33-V109 WeakPolarHBondContact O-CA 3.26Å; P35-V109 HydrophobicContact CG-CG1 3.62Å; V109-G111 PolarHBondContact O-N 2.75Å; V109-T112 PolarHBondContact N-O 2.99Å; V109-T112 WeakPolarHBondContact O-CB 3.21Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 PolarHBondContact O-OG1 2.72Å; V109-T112 VanDerWaalsContact O-OG1 3.11Å; V109-Y114 HydrophobicContact CG2-CE2 4.47Å; V109-F146 HydrophobicContact CG2-CE2 3.71Å; V109-F146 HydrophobicContact CG2-CZ 3.96Å; V109-W191 HydrophobicContact CG1-CH2 4Å; V109-W191 HydrophobicContact CG1-CZ2 4.46Å; V109-W191 HydrophobicContact CG2-CH2 4.17Å; V109-W191 HydrophobicContact CG2-CZ3 4.04Å |
| 110 | A | 98.3 | Very high | 98.8 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 55% | 0.545 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 41 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N32 I33 T112 | N32-A110 PolarHBondContact OD1-N 2.96Å; I33-A110 PolarHBondContact O-N 2.93Å; A110-T112 PolarHBondContact O-N 3.16Å |
| 111 | G | 98.4 | Very high | 98.8 | Very high | 51 Ų | 51 | 26.7 Ų | 26.7 | 53% | 0.526 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -8.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N32 V109 | N32-G111 PolarHBondContact OD1-N 2.86Å; V109-G111 PolarHBondContact O-N 2.75Å |
| 112 | T | 98.6 | Very high | 98.8 | Very high | 80 Ų | 80 | 24.4 Ų | 24.4 | 49% | 0.491 | 15% | 0.148 | S | C | . | . | B | Isolated β-bridge | trans | -72 | 128.5 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 110.2 | T108 V109 A110 | T108-T112 CarbonylContact C-O 3.44Å; T108-T112 WeakPolarHBondContact CA-O 3.07Å; T108-T112 VanDerWaalsContact CB-O 3.26Å; T108-T112 WeakPolarHBondContact CB-O 3.32Å; V109-T112 PolarHBondContact N-O 2.99Å; V109-T112 WeakPolarHBondContact O-CB 3.21Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 PolarHBondContact O-OG1 2.72Å; V109-T112 VanDerWaalsContact O-OG1 3.11Å; A110-T112 PolarHBondContact O-N 3.16Å |
| 113 | K | 98.7 | Very high | 98.8 | Very high | 84 Ų | 84 | 19.3 Ų | 19.3 | 37% | 0.365 | 12% | 0.12 | S | C | . | . | trans | -100 | 159 | 171.7 | -65.7 | -176.1 | 177.4 | -173.2 | 0 | 110.5 | H103 T108 | H103-K113 HydrophobicContact CB-CB 4.26Å; H103-K113 HydrophobicContact CB-CD 3.7Å; T108-K113 HydrophobicContact CG2-CG 3.65Å | ||
| 114 | Y | 98.9 | Very high | 98.8 | Very high | 47 Ų | 47 | 18 Ų | 18 | 18% | 0.184 | 11% | 0.114 | C | C | . | . | trans | -118.4 | 157.3 | 173.9 | -71.5 | -89.8 | 0 | 0 | 0 | 109.6 | H103 G104 S105 V109 A116 F146 L147 K148 P214 | H103-Y114 CarbonylContact C-O 3.52Å; H103-Y114 WeakPolarHBondContact CA-O 3.16Å; G104-Y114 CarbonylContact C-O 3.42Å; G104-Y114 WeakPolarHBondContact CA-O 3.33Å; G104-Y114 PolarHBondContact N-O 2.78Å; S105-Y114 PolarHBondContact N-O 3.41Å; S105-Y114 PolarHBondContact OG-N 3.33Å; V109-Y114 HydrophobicContact CG2-CE2 4.47Å; Y114-A116 PolarHBondContact O-N 2.8Å; Y114-F146 HydrophobicContact CD1-CB 3.97Å; Y114-F146 HydrophobicContact CD2-CB 3.86Å; Y114-F146 AromaticContact CD2-CD1 3.44Å; Y114-F146 HydrophobicContact CD2-CD1 3.44Å; Y114-F146 VanDerWaalsContact CD2-CD1 3.44Å; Y114-F146 HydrophobicContact CD2-CD2 4.14Å; Y114-F146 AromaticContact CD2-CE1 3.95Å; Y114-F146 HydrophobicContact CD2-CE1 3.95Å; Y114-F146 AromaticContact CD2-CG 3.54Å; Y114-F146 HydrophobicContact CD2-CG 3.54Å; Y114-F146 HydrophobicContact CD2-CZ 4.48Å; Y114-F146 HydrophobicContact CE1-CB 4.28Å; Y114-F146 HydrophobicContact CE2-CB 4.18Å; Y114-F146 HydrophobicContact CE2-CD1 4.07Å; Y114-F146 AromaticContact CE2-CD2 3.92Å; Y114-F146 HydrophobicContact CE2-CD2 3.92Å; Y114-F146 HydrophobicContact CE2-CE1 4.43Å; Y114-F146 HydrophobicContact CE2-CE2 4.29Å; Y114-F146 AromaticContact CE2-CG 3.79Å; Y114-F146 HydrophobicContact CE2-CG 3.79Å; Y114-F146 HydrophobicContact CG-CB 3.76Å; Y114-F146 AromaticContact CG-CD1 3.94Å; Y114-F146 HydrophobicContact CG-CD1 3.94Å; Y114-F146 AromaticContact CG-CG 3.96Å; Y114-F146 HydrophobicContact CG-CG 3.96Å; Y114-L147 VanDerWaalsContact CB-O 3.32Å; Y114-L147 WeakPolarHBondContact CB-O 3.34Å; Y114-K148 HydrophobicContact CD1-CB 4.05Å; Y114-K148 HydrophobicContact CE1-CB 4.26Å; Y114-P214 HydrophobicContact CD1-CB 4.38Å; Y114-P214 HydrophobicContact CE1-CB 4Å; Y114-P214 HydrophobicContact CE1-CG 4.06Å | ||
| 115 | P | 98.8 | Very high | 98.8 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -59 | -28.6 | 178.6 | 20.1 | -34.9 | 0 | 0 | 0 | 114.5 | W97 G98 D101 H103 G104 L147 I149 M222 | W97-P115 WeakPolarHBondContact CA-O 3.33Å; G98-P115 PolarHBondContact N-O 2.97Å; D101-P115 WeakPolarHBondContact O-CB 3.42Å; H103-P115 WeakPolarHBondContact O-CA 3.49Å; G104-P115 WeakPolarHBondContact CA-O 3.26Å; P115-L147 WeakPolarHBondContact CD-O 3.42Å; P115-L147 WeakPolarHBondContact CG-O 3.35Å; P115-I149 HydrophobicContact CB-CD1 4.14Å; P115-I149 HydrophobicContact CG-CD1 3.93Å; P115-I149 HydrophobicContact CG-CG1 4.12Å; P115-M222 HydrophobicContact CB-CE 4.23Å; P115-M222 HydrophobicContact CB-CG 4.41Å; P115-M222 HydrophobicContact CB-SD 4.4Å |
| 116 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 166.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H96 W97 Y114 L147 M222 | H96-A116 CarbonylContact O-C 3.56Å; H96-A116 WeakPolarHBondContact O-CA 3.33Å; H96-A116 WeakPolarHBondContact O-CB 3.45Å; W97-A116 HydrophobicContact CB-CB 3.88Å; Y114-A116 PolarHBondContact O-N 2.8Å; A116-L147 HydrophobicContact CB-CB 4.08Å; A116-L147 HydrophobicContact CB-CD1 4.03Å; A116-L147 HydrophobicContact CB-CD2 4.15Å; A116-L147 HydrophobicContact CB-CG 4.3Å; A116-L147 PolarHBondContact O-N 2.9Å; A116-M222 HydrophobicContact CB-CE 3.9Å; A116-M222 HydrophobicContact CB-SD 4.09Å |
| 117 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 125.8 | 174.4 | -167.6 | 178.4 | 138.4 | 0 | 0 | 110.2 | F95 H96 E106 H107 H119 V145 F146 | F95-E117 CarbonylContact C-O 3.58Å; F95-E117 VanDerWaalsContact CA-O 3.31Å; F95-E117 WeakPolarHBondContact CA-O 3.43Å; H96-E117 PolarHBondContact N-O 2.77Å; H96-E117 PolarHBondContact O-N 2.87Å; E106-E117 PolarHBondContact N-OE2 3.3Å; H107-E117 IonicContact CE1-OE1 2.8Å; H107-E117 IonicContact CG-OE1 3.82Å; H107-E117 PolarHBondContact N-OE2 2.77Å; H107-E117 IonicContact ND1-OE1 3.34Å; H107-E117 PolarHBondContact ND1-OE1 3.35Å; H107-E117 IonicContact ND1-OE2 3.83Å; E117-H119 IonicContact OE1-CD2 3.11Å; E117-H119 IonicContact OE1-CE1 2.76Å; E117-H119 IonicContact OE1-NE2 3.76Å; E117-H119 PolarHBondContact OE1-NE2 2.89Å; E117-V145 WeakPolarHBondContact CA-O 3.42Å; E117-F146 HydrophobicContact CG-CD1 4.14Å; E117-F146 HydrophobicContact CG-CE1 4.32Å; E117-F146 WeakPolarHBondContact OE2-CE1 3.41Å |
| 118 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136 | 172.9 | 163.4 | 63.4 | 0 | 0 | 0 | 109.7 | F93 F95 L120 G144 V145 L147 L183 | F93-L118 HydrophobicContact CB-CD1 3.85Å; F93-L118 HydrophobicContact CD2-CD1 3.79Å; F93-L118 HydrophobicContact CG-CD1 4.04Å; F95-L118 HydrophobicContact CD1-CB 3.83Å; F95-L118 HydrophobicContact CD1-CD1 4.45Å; F95-L118 HydrophobicContact CD2-CD1 4.17Å; F95-L118 HydrophobicContact CE1-CB 3.6Å; F95-L118 HydrophobicContact CE1-CD1 4.07Å; F95-L118 HydrophobicContact CE1-CG 4.27Å; F95-L118 HydrophobicContact CE2-CD1 3.74Å; F95-L118 HydrophobicContact CZ-CB 4.12Å; F95-L118 HydrophobicContact CZ-CD1 3.7Å; F95-L118 HydrophobicContact CZ-CD2 4.39Å; F95-L118 HydrophobicContact CZ-CG 4.29Å; L118-L120 HydrophobicContact CD1-CG 4.39Å; L118-L120 HydrophobicContact CD2-CD1 4.31Å; L118-L120 HydrophobicContact CD2-CG 4.4Å; L118-L120 HydrophobicContact CG-CG 4.37Å; L118-G144 CarbonylContact O-C 3.6Å; L118-G144 VanDerWaalsContact O-CA 3.27Å; L118-G144 WeakPolarHBondContact O-CA 3.46Å; L118-V145 HydrophobicContact CB-CB 4.19Å; L118-V145 HydrophobicContact CD2-CB 4.26Å; L118-V145 HydrophobicContact CD2-CG2 4.39Å; L118-V145 PolarHBondContact N-O 3.45Å; L118-V145 PolarHBondContact O-N 3.04Å; L118-L147 HydrophobicContact CB-CD1 4.19Å; L118-L183 HydrophobicContact CD2-CB 3.63Å; L118-L183 HydrophobicContact CD2-CD1 4.16Å |
| 119 | H | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.4 | 169.4 | -66.4 | 169.1 | 0 | 0 | 0 | 111.5 | F93 H94 H96 E106 E117 V142 W208 | F93-H119 WeakPolarHBondContact CA-O 3.06Å; F93-H119 VanDerWaalsContact CB-O 3.24Å; F93-H119 WeakPolarHBondContact CB-O 3.18Å; H94-H119 PolarHBondContact N-O 2.8Å; H94-H119 VanDerWaalsContact N-O 3.13Å; H94-H119 AromaticContact NE2-ND1 3.67Å; H94-H119 PolarHBondContact O-N 3.47Å; H96-H119 AromaticContact CD2-CE1 3.38Å; H96-H119 PolarHBondContact CD2-CE1 2.97Å; H96-H119 AromaticContact CD2-ND1 3.53Å; H96-H119 AromaticContact NE2-CE1 3.64Å; H96-H119 AromaticContact NE2-ND1 3.55Å; E106-H119 IonicContact OE2-CE1 3.62Å; E106-H119 PolarHBondContact OE2-CE1 3.38Å; E117-H119 IonicContact OE1-CD2 3.11Å; E117-H119 IonicContact OE1-CE1 2.76Å; E117-H119 IonicContact OE1-NE2 3.76Å; E117-H119 PolarHBondContact OE1-NE2 2.89Å; H119-V142 HydrophobicContact CB-CG1 3.74Å; H119-W208 AromaticContact CD2-CH2 3.73Å; H119-W208 AromaticContact CD2-CZ3 3.65Å; H119-W208 AromaticContact CE1-CH2 3.37Å; H119-W208 WeakPolarHBondContact CE1-CH2 3.41Å; H119-W208 AromaticContact CG-CH2 3.88Å; H119-W208 AromaticContact ND1-CH2 3.64Å; H119-W208 AromaticContact NE2-CH2 3.41Å; H119-W208 WeakPolarHBondContact NE2-CH2 3.17Å; H119-W208 AromaticContact NE2-CZ3 3.56Å |
| 120 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 107.7 | 168.7 | -67.9 | 150.6 | 0 | 0 | 0 | 109 | L90 F93 L118 H122 V142 V143 P180 L184 | L90-L120 HydrophobicContact CD1-CB 4.33Å; L90-L120 HydrophobicContact CD1-CD2 4.14Å; F93-L120 HydrophobicContact CB-CD2 3.73Å; F93-L120 HydrophobicContact CB-CG 4.2Å; F93-L120 HydrophobicContact CD1-CD2 4.03Å; F93-L120 HydrophobicContact CG-CD2 4.19Å; L118-L120 HydrophobicContact CD1-CG 4.39Å; L118-L120 HydrophobicContact CD2-CD1 4.31Å; L118-L120 HydrophobicContact CD2-CG 4.4Å; L118-L120 HydrophobicContact CG-CG 4.37Å; L120-H122 PolarHBondContact O-CE1 3.01Å; L120-H122 PolarHBondContact O-ND1 2.86Å; L120-V142 WeakPolarHBondContact O-CA 3.22Å; L120-V143 HydrophobicContact CB-CB 4.18Å; L120-V143 HydrophobicContact CD1-CB 4.24Å; L120-V143 HydrophobicContact CD1-CG1 4.37Å; L120-V143 PolarHBondContact N-O 3.22Å; L120-V143 PolarHBondContact O-N 3.06Å; L120-P180 HydrophobicContact CD2-CB 3.55Å; L120-P180 HydrophobicContact CD2-CG 4.33Å; L120-L184 HydrophobicContact CD1-CD2 3.64Å |
| 121 | V | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.5 | -172.4 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | K91 Q92 F130 V142 | K91-V121 PolarHBondContact N-O 2.87Å; Q92-V121 HydrophobicContact CG-CB 4.24Å; Q92-V121 PolarHBondContact O-N 3.42Å; V121-F130 HydrophobicContact CG1-CE2 4.05Å; V121-V142 HydrophobicContact CB-CG2 4.48Å; V121-V142 HydrophobicContact CG1-CG2 4.3Å; V121-V142 HydrophobicContact CG2-CG2 4.15Å |
| 122 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 154.7 | 177 | -46.8 | 73.3 | 0 | 0 | 0 | 111 | Y51 H88 R89 L120 L140 A141 | Y51-H122 AromaticContact CE1-NE2 3.48Å; Y51-H122 WeakPolarHBondContact CE1-NE2 3.31Å; Y51-H122 AromaticContact CZ-NE2 3.57Å; Y51-H122 PolarHBondContact OH-CE1 3.07Å; Y51-H122 PolarHBondContact OH-NE2 3.17Å; H88-H122 HydrophobicContact CB-CB 3.64Å; R89-H122 CarbonylContact O-C 3.48Å; R89-H122 WeakPolarHBondContact O-CA 3.37Å; R89-H122 WeakPolarHBondContact O-CB 3.36Å; L120-H122 PolarHBondContact O-CE1 3.01Å; L120-H122 PolarHBondContact O-ND1 2.86Å; H122-L140 CarbonylContact O-C 3.49Å; H122-L140 VanDerWaalsContact O-CA 3.28Å; H122-L140 WeakPolarHBondContact O-CA 3.4Å; H122-A141 WeakPolarHBondContact CA-O 3.29Å; H122-A141 WeakPolarHBondContact CB-O 3.26Å; H122-A141 PolarHBondContact N-O 3.03Å; H122-A141 PolarHBondContact ND1-O 3.1Å; H122-A141 PolarHBondContact O-N 2.92Å |
| 123 | W | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.6 | 176.8 | 67 | -86 | 0 | 0 | 0 | 112.3 | D72 H88 R89 T125 Y127 F130 A133 G139 L140 | D72-W123 PolarHBondContact OD2-NE1 2.91Å; H88-W123 CarbonylContact C-O 3.45Å; H88-W123 WeakPolarHBondContact CA-O 3.32Å; R89-W123 HydrophobicContact CB-CZ2 4.39Å; R89-W123 PolarHBondContact N-O 3.32Å; R89-W123 VanDerWaalsContact O-CD1 3.31Å; R89-W123 PolarHBondContact O-N 3.07Å; W123-T125 PolarHBondContact O-N 2.79Å; W123-Y127 WeakPolarHBondContact CZ3-O 3.47Å; W123-F130 HydrophobicContact CB-CD2 3.76Å; W123-F130 HydrophobicContact CB-CE2 4.45Å; W123-F130 AromaticContact CD1-CD2 3.82Å; W123-F130 HydrophobicContact CD2-CB 4.46Å; W123-F130 HydrophobicContact CG-CB 4.15Å; W123-F130 AromaticContact CG-CD2 3.94Å; W123-F130 HydrophobicContact CG-CD2 3.94Å; W123-A133 HydrophobicContact CB-CB 4.02Å; W123-A133 HydrophobicContact CE3-CB 4.13Å; W123-G139 WeakPolarHBondContact CA-O 3.41Å; W123-L140 HydrophobicContact CB-CD2 3.7Å |
| 124 | N | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.8 | -173.1 | -172.4 | -21.6 | 0 | 0 | 0 | 111.7 | F86 H88 K126 Y127 D138 G139 | F86-N124 WeakPolarHBondContact CB-OD1 3.46Å; H88-N124 PolarHBondContact CD2-N 3.22Å; H88-N124 VanDerWaalsContact CD2-N 3.34Å; H88-N124 VanDerWaalsContact NE2-CB 3.33Å; H88-N124 WeakPolarHBondContact NE2-CB 3.43Å; N124-K126 PolarHBondContact O-N 3.3Å; N124-K126 VanDerWaalsContact O-N 3.09Å; N124-K126 WeakPolarHBondContact OD1-CB 3.38Å; N124-K126 PolarHBondContact OD1-N 2.84Å; N124-Y127 HydrophobicContact CB-CD2 3.98Å; N124-Y127 HydrophobicContact CB-CE2 4.22Å; N124-Y127 PolarHBondContact O-N 2.74Å; N124-Y127 VanDerWaalsContact O-N 3.13Å; N124-D138 WeakPolarHBondContact CB-O 3.23Å; N124-D138 PolarHBondContact ND2-O 3.41Å; N124-G139 WeakPolarHBondContact CB-O 3.46Å; N124-G139 PolarHBondContact N-O 2.91Å |
| 125 | T | 98.2 | Very high | 98.2 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -0.7 | -176.7 | 67 | 0 | 0 | 0 | 0 | 114.1 | N87 R89 W123 Y127 | N87-T125 HydrophobicContact CB-CG2 4.39Å; N87-T125 WeakPolarHBondContact O-CG2 3.38Å; N87-T125 PolarHBondContact O-N 2.88Å; N87-T125 PolarHBondContact O-OG1 2.97Å; N87-T125 VanDerWaalsContact O-OG1 3.11Å; R89-T125 HydrophobicContact CB-CG2 4.45Å; R89-T125 HydrophobicContact CG-CG2 3.6Å; W123-T125 PolarHBondContact O-N 2.79Å; T125-Y127 PolarHBondContact O-N 2.92Å |
| 126 | K | 98 | Very high | 98.2 | Very high | 105 Ų | 105 | 32.3 Ų | 32.3 | 46% | 0.457 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.3 | 165.6 | 174.6 | -174 | 162.5 | -151.4 | 0 | 111.9 | F86 N124 D138 | F86-K126 HydrophobicContact CD1-CB 4.49Å; F86-K126 HydrophobicContact CD2-CB 4.47Å; F86-K126 HydrophobicContact CD2-CD 4.12Å; F86-K126 HydrophobicContact CE2-CD 3.83Å; F86-K126 HydrophobicContact CG-CB 4.31Å; F86-K126 HydrophobicContact CZ-CD 4.14Å; N124-K126 PolarHBondContact O-N 3.3Å; N124-K126 VanDerWaalsContact O-N 3.09Å; N124-K126 WeakPolarHBondContact OD1-CB 3.38Å; N124-K126 PolarHBondContact OD1-N 2.84Å; K126-D138 IonicContact NZ-OD1 2.71Å; K126-D138 IonicContact NZ-OD2 2.78Å; K126-D138 PolarHBondContact NZ-OD2 3.25Å |
| 127 | Y | 98.3 | Very high | 98.1 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 9% | 0.09 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -94.9 | 161.5 | 177.6 | -58.5 | -68.3 | 0 | 0 | 0 | 110.9 | W123 N124 T125 N129 E132 A133 Q136 D138 | W123-Y127 WeakPolarHBondContact CZ3-O 3.47Å; N124-Y127 HydrophobicContact CB-CD2 3.98Å; N124-Y127 HydrophobicContact CB-CE2 4.22Å; N124-Y127 PolarHBondContact O-N 2.74Å; N124-Y127 VanDerWaalsContact O-N 3.13Å; T125-Y127 PolarHBondContact O-N 2.92Å; Y127-N129 PolarHBondContact O-N 3.19Å; Y127-E132 HydrophobicContact CD1-CG 4.23Å; Y127-A133 HydrophobicContact CD2-CB 3.86Å; Y127-A133 HydrophobicContact CG-CB 4.17Å; Y127-Q136 HydrophobicContact CD1-CG 3.84Å; Y127-Q136 HydrophobicContact CD2-CB 4.42Å; Y127-Q136 HydrophobicContact CD2-CG 4.38Å; Y127-Q136 HydrophobicContact CE1-CB 3.97Å; Y127-Q136 HydrophobicContact CE1-CG 3.4Å; Y127-Q136 VanDerWaalsContact CE1-CG 3.4Å; Y127-Q136 HydrophobicContact CE2-CB 3.75Å; Y127-Q136 HydrophobicContact CE2-CG 4.01Å; Y127-Q136 HydrophobicContact CG-CG 4.31Å; Y127-Q136 VanDerWaalsContact CZ-CB 3.47Å; Y127-Q136 VanDerWaalsContact CZ-CG 3.49Å; Y127-D138 PolarHBondContact OH-OD1 2.86Å |
| 128 | A | 97.3 | Very high | 98 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 63% | 0.628 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -73.7 | -27.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E132 | A128-E132 WeakPolarHBondContact CB-OE2 3.12Å; A128-E132 PolarHBondContact N-OE2 2.65Å |
| 129 | N | 97.6 | Very high | 97.9 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 43% | 0.428 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -162.3 | 170.1 | -178.4 | 57.8 | 76.1 | 0 | 0 | 0 | 111.2 | Y127 G131 E132 A133 | Y127-N129 PolarHBondContact O-N 3.19Å; N129-G131 VanDerWaalsContact C-N 3.29Å; N129-G131 PolarHBondContact O-N 3.42Å; N129-G131 WeakPolarHBondContact OD1-CA 3.34Å; N129-G131 PolarHBondContact OD1-N 3.38Å; N129-E132 PolarHBondContact O-N 3.48Å; N129-E132 PolarHBondContact OD1-N 2.89Å; N129-A133 WeakPolarHBondContact O-CB 2.94Å; N129-A133 PolarHBondContact O-N 3.04Å |
| 130 | F | 97.8 | Very high | 97.9 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -52 | -42.8 | 177.5 | -179.2 | -88.2 | 0 | 0 | 0 | 113.6 | K91 V121 W123 A133 A134 L140 | K91-F130 HydrophobicContact CB-CD2 3.96Å; K91-F130 HydrophobicContact CB-CE2 4.13Å; K91-F130 HydrophobicContact CD-CD2 4.47Å; K91-F130 HydrophobicContact CG-CD2 3.82Å; K91-F130 HydrophobicContact CG-CE2 4.07Å; K91-F130 HydrophobicContact CG-CG 4.38Å; V121-F130 HydrophobicContact CG1-CE2 4.05Å; W123-F130 HydrophobicContact CB-CD2 3.76Å; W123-F130 HydrophobicContact CB-CE2 4.45Å; W123-F130 AromaticContact CD1-CD2 3.82Å; W123-F130 HydrophobicContact CD2-CB 4.46Å; W123-F130 HydrophobicContact CG-CB 4.15Å; W123-F130 AromaticContact CG-CD2 3.94Å; W123-F130 HydrophobicContact CG-CD2 3.94Å; F130-A133 PolarHBondContact O-N 3.26Å; F130-A134 HydrophobicContact CE1-CB 4.19Å; F130-A134 VanDerWaalsContact O-CB 3.29Å; F130-A134 WeakPolarHBondContact O-CB 3.21Å; F130-A134 PolarHBondContact O-N 3.47Å; F130-L140 HydrophobicContact CD2-CD2 4.11Å; F130-L140 HydrophobicContact CE2-CD2 3.69Å; F130-L140 HydrophobicContact CZ-CD1 4.48Å; F130-L140 HydrophobicContact CZ-CD2 4.21Å |
| 131 | G | 96.8 | Very high | 97.9 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.9 | -42.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N129 | N129-G131 VanDerWaalsContact C-N 3.29Å; N129-G131 PolarHBondContact O-N 3.42Å; N129-G131 WeakPolarHBondContact OD1-CA 3.34Å; N129-G131 PolarHBondContact OD1-N 3.38Å |
| 132 | E | 97.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 38% | 0.379 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 172.2 | -172.9 | -175.9 | 168.6 | 0 | 0 | 110.6 | Y127 A128 N129 A134 S135 Q136 | Y127-E132 HydrophobicContact CD1-CG 4.23Å; A128-E132 WeakPolarHBondContact CB-OE2 3.12Å; A128-E132 PolarHBondContact N-OE2 2.65Å; N129-E132 PolarHBondContact O-N 3.48Å; N129-E132 PolarHBondContact OD1-N 2.89Å; E132-A134 PolarHBondContact O-N 3.03Å; E132-S135 PolarHBondContact O-N 2.93Å; E132-S135 VanDerWaalsContact O-N 3.14Å; E132-S135 PolarHBondContact O-OG 3.46Å; E132-Q136 WeakPolarHBondContact O-CG 3.16Å |
| 133 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W123 Y127 N129 F130 S135 Q136 G139 | W123-A133 HydrophobicContact CB-CB 4.02Å; W123-A133 HydrophobicContact CE3-CB 4.13Å; Y127-A133 HydrophobicContact CD2-CB 3.86Å; Y127-A133 HydrophobicContact CG-CB 4.17Å; N129-A133 WeakPolarHBondContact O-CB 2.94Å; N129-A133 PolarHBondContact O-N 3.04Å; F130-A133 PolarHBondContact O-N 3.26Å; A133-S135 PolarHBondContact O-N 3.3Å; A133-Q136 WeakPolarHBondContact O-CB 3.37Å; A133-Q136 PolarHBondContact O-N 2.75Å; A133-G139 WeakPolarHBondContact CB-O 3.36Å; A133-G139 WeakPolarHBondContact O-CA 3.32Å |
| 134 | A | 97.4 | Very high | 97.9 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.8 | -21.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F130 E132 L140 L203 S205 | F130-A134 HydrophobicContact CE1-CB 4.19Å; F130-A134 VanDerWaalsContact O-CB 3.29Å; F130-A134 WeakPolarHBondContact O-CB 3.21Å; F130-A134 PolarHBondContact O-N 3.47Å; E132-A134 PolarHBondContact O-N 3.03Å; A134-L140 HydrophobicContact CB-CD1 4.11Å; A134-L140 HydrophobicContact CB-CD2 4.33Å; A134-L140 HydrophobicContact CB-CG 4.43Å; A134-L203 HydrophobicContact CB-CD1 4.44Å; A134-L203 VanDerWaalsContact O-CD1 3.26Å; A134-L203 WeakPolarHBondContact O-CD1 3.48Å; A134-S205 WeakPolarHBondContact O-CB 3.4Å; A134-S205 PolarHBondContact O-OG 3.4Å |
| 135 | S | 96.1 | Very high | 98 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.4 | 175.8 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | E132 A133 | E132-S135 PolarHBondContact O-N 2.93Å; E132-S135 VanDerWaalsContact O-N 3.14Å; E132-S135 PolarHBondContact O-OG 3.46Å; A133-S135 PolarHBondContact O-N 3.3Å |
| 136 | Q | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -112 | 144.5 | -170.3 | -58.8 | -70.3 | -33.4 | 0 | 0 | 111 | Y127 E132 A133 D138 G139 S205 | Y127-Q136 HydrophobicContact CD1-CG 3.84Å; Y127-Q136 HydrophobicContact CD2-CB 4.42Å; Y127-Q136 HydrophobicContact CD2-CG 4.38Å; Y127-Q136 HydrophobicContact CE1-CB 3.97Å; Y127-Q136 HydrophobicContact CE1-CG 3.4Å; Y127-Q136 VanDerWaalsContact CE1-CG 3.4Å; Y127-Q136 HydrophobicContact CE2-CB 3.75Å; Y127-Q136 HydrophobicContact CE2-CG 4.01Å; Y127-Q136 HydrophobicContact CG-CG 4.31Å; Y127-Q136 VanDerWaalsContact CZ-CB 3.47Å; Y127-Q136 VanDerWaalsContact CZ-CG 3.49Å; E132-Q136 WeakPolarHBondContact O-CG 3.16Å; A133-Q136 WeakPolarHBondContact O-CB 3.37Å; A133-Q136 PolarHBondContact O-N 2.75Å; Q136-D138 VanDerWaalsContact C-N 3.27Å; Q136-D138 PolarHBondContact O-N 2.76Å; Q136-G139 PolarHBondContact O-N 2.82Å; Q136-S205 VanDerWaalsContact O-CA 3.23Å; Q136-S205 WeakPolarHBondContact O-CA 3.47Å; Q136-S205 WeakPolarHBondContact O-CB 3.28Å |
| 137 | P | 96.1 | Very high | 98 | Very high | 66 Ų | 66 | 30 Ų | 30 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.6 | -172.6 | 25.4 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 138 | D | 96.9 | Very high | 98.1 | Very high | 48 Ų | 48 | 33.4 Ų | 33.4 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 26 | 176.2 | 61.8 | -39.6 | 0 | 0 | 0 | 111.6 | N124 K126 Y127 Q136 | N124-D138 WeakPolarHBondContact CB-O 3.23Å; N124-D138 PolarHBondContact ND2-O 3.41Å; K126-D138 IonicContact NZ-OD1 2.71Å; K126-D138 IonicContact NZ-OD2 2.78Å; K126-D138 PolarHBondContact NZ-OD2 3.25Å; Y127-D138 PolarHBondContact OH-OD1 2.86Å; Q136-D138 VanDerWaalsContact C-N 3.27Å; Q136-D138 PolarHBondContact O-N 2.76Å |
| 139 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -80.6 | -34.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | W123 N124 A133 Q136 S205 | W123-G139 WeakPolarHBondContact CA-O 3.41Å; N124-G139 WeakPolarHBondContact CB-O 3.46Å; N124-G139 PolarHBondContact N-O 2.91Å; A133-G139 WeakPolarHBondContact CB-O 3.36Å; A133-G139 WeakPolarHBondContact O-CA 3.32Å; Q136-G139 PolarHBondContact O-N 2.82Å; G139-S205 PolarHBondContact N-O 2.94Å |
| 140 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.1 | -175.5 | -55.8 | -179.9 | 0 | 0 | 0 | 110.5 | H122 W123 F130 A134 L197 S205 V206 T207 | H122-L140 CarbonylContact O-C 3.49Å; H122-L140 VanDerWaalsContact O-CA 3.28Å; H122-L140 WeakPolarHBondContact O-CA 3.4Å; W123-L140 HydrophobicContact CB-CD2 3.7Å; F130-L140 HydrophobicContact CD2-CD2 4.11Å; F130-L140 HydrophobicContact CE2-CD2 3.69Å; F130-L140 HydrophobicContact CZ-CD1 4.48Å; F130-L140 HydrophobicContact CZ-CD2 4.21Å; A134-L140 HydrophobicContact CB-CD1 4.11Å; A134-L140 HydrophobicContact CB-CD2 4.33Å; A134-L140 HydrophobicContact CB-CG 4.43Å; L140-L197 HydrophobicContact CD1-CD2 3.77Å; L140-L197 HydrophobicContact CD1-CG 4.37Å; L140-S205 WeakPolarHBondContact CB-O 3.48Å; L140-S205 PolarHBondContact N-O 2.85Å; L140-V206 HydrophobicContact CB-CG2 4.09Å; L140-V206 HydrophobicContact CD1-CG2 4.15Å; L140-V206 WeakPolarHBondContact O-CA 3.43Å; L140-T207 PolarHBondContact O-N 2.99Å |
| 141 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | L79 V84 H122 T207 | L79-A141 HydrophobicContact CD2-CB 3.7Å; V84-A141 HydrophobicContact CG1-CB 3.74Å; H122-A141 WeakPolarHBondContact CA-O 3.29Å; H122-A141 WeakPolarHBondContact CB-O 3.26Å; H122-A141 PolarHBondContact N-O 3.03Å; H122-A141 PolarHBondContact ND1-O 3.1Å; H122-A141 PolarHBondContact O-N 2.92Å; A141-T207 WeakPolarHBondContact CA-O 3.09Å |
| 142 | V | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.1 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | H119 L120 V121 V206 T207 W208 I209 | H119-V142 HydrophobicContact CB-CG1 3.74Å; L120-V142 WeakPolarHBondContact O-CA 3.22Å; V121-V142 HydrophobicContact CB-CG2 4.48Å; V121-V142 HydrophobicContact CG1-CG2 4.3Å; V121-V142 HydrophobicContact CG2-CG2 4.15Å; V142-V206 HydrophobicContact CB-CG1 3.88Å; V142-V206 HydrophobicContact CG2-CG1 3.54Å; V142-T207 PolarHBondContact N-O 2.93Å; V142-T207 VanDerWaalsContact N-O 3.1Å; V142-W208 HydrophobicContact CB-CD2 4.39Å; V142-W208 HydrophobicContact CB-CE3 4.06Å; V142-W208 HydrophobicContact CB-CH2 4.05Å; V142-W208 HydrophobicContact CB-CZ2 4.4Å; V142-W208 HydrophobicContact CB-CZ3 3.9Å; V142-W208 HydrophobicContact CG1-CE3 4.02Å; V142-W208 HydrophobicContact CG1-CH2 3.56Å; V142-W208 HydrophobicContact CG1-CZ2 4.35Å; V142-W208 HydrophobicContact CG1-CZ3 3.39Å; V142-I209 PolarHBondContact O-N 3.05Å |
| 143 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.8 | 169.5 | -177.7 | 0 | 0 | 0 | 0 | 108 | L79 L120 V145 L184 I209 | L79-V143 HydrophobicContact CD2-CG2 4.2Å; L120-V143 HydrophobicContact CB-CB 4.18Å; L120-V143 HydrophobicContact CD1-CB 4.24Å; L120-V143 HydrophobicContact CD1-CG1 4.37Å; L120-V143 PolarHBondContact N-O 3.22Å; L120-V143 PolarHBondContact O-N 3.06Å; V143-V145 HydrophobicContact CG1-CG2 4.32Å; V143-L184 HydrophobicContact CG1-CD2 4.28Å; V143-I209 CarbonylContact C-O 3.48Å; V143-I209 VanDerWaalsContact CA-O 3.28Å; V143-I209 WeakPolarHBondContact CA-O 3.23Å; V143-I209 HydrophobicContact CG2-CB 4.3Å; V143-I209 HydrophobicContact CG2-CD1 4.35Å; V143-I209 HydrophobicContact CG2-CG2 4.33Å |
| 144 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L118 I209 C211 | L118-G144 CarbonylContact O-C 3.6Å; L118-G144 VanDerWaalsContact O-CA 3.27Å; L118-G144 WeakPolarHBondContact O-CA 3.46Å; G144-I209 PolarHBondContact N-O 3.22Å; G144-C211 PolarHBondContact O-N 2.8Å |
| 145 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.8 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | E117 L118 V143 L184 C211 I215 | E117-V145 WeakPolarHBondContact CA-O 3.42Å; L118-V145 HydrophobicContact CB-CB 4.19Å; L118-V145 HydrophobicContact CD2-CB 4.26Å; L118-V145 HydrophobicContact CD2-CG2 4.39Å; L118-V145 PolarHBondContact N-O 3.45Å; L118-V145 PolarHBondContact O-N 3.04Å; V143-V145 HydrophobicContact CG1-CG2 4.32Å; V145-L184 HydrophobicContact CG2-CD2 4.12Å; V145-C211 HydrophobicContact CG2-CB 4.32Å; V145-I215 HydrophobicContact CG1-CB 4.5Å; V145-I215 HydrophobicContact CG1-CD1 4.41Å; V145-I215 HydrophobicContact CG1-CG1 4.12Å; V145-I215 HydrophobicContact CG1-CG2 3.86Å |
| 146 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 144.6 | 173.5 | -64.5 | -61.6 | 0 | 0 | 0 | 111.2 | H107 V109 Y114 E117 V210 P214 I215 | H107-F146 HydrophobicContact CB-CE1 3.75Å; H107-F146 HydrophobicContact CB-CZ 3.6Å; H107-F146 WeakPolarHBondContact O-CE1 3.36Å; V109-F146 HydrophobicContact CG2-CE2 3.71Å; V109-F146 HydrophobicContact CG2-CZ 3.96Å; Y114-F146 HydrophobicContact CD1-CB 3.97Å; Y114-F146 HydrophobicContact CD2-CB 3.86Å; Y114-F146 AromaticContact CD2-CD1 3.44Å; Y114-F146 HydrophobicContact CD2-CD1 3.44Å; Y114-F146 VanDerWaalsContact CD2-CD1 3.44Å; Y114-F146 HydrophobicContact CD2-CD2 4.14Å; Y114-F146 AromaticContact CD2-CE1 3.95Å; Y114-F146 HydrophobicContact CD2-CE1 3.95Å; Y114-F146 AromaticContact CD2-CG 3.54Å; Y114-F146 HydrophobicContact CD2-CG 3.54Å; Y114-F146 HydrophobicContact CD2-CZ 4.48Å; Y114-F146 HydrophobicContact CE1-CB 4.28Å; Y114-F146 HydrophobicContact CE2-CB 4.18Å; Y114-F146 HydrophobicContact CE2-CD1 4.07Å; Y114-F146 AromaticContact CE2-CD2 3.92Å; Y114-F146 HydrophobicContact CE2-CD2 3.92Å; Y114-F146 HydrophobicContact CE2-CE1 4.43Å; Y114-F146 HydrophobicContact CE2-CE2 4.29Å; Y114-F146 AromaticContact CE2-CG 3.79Å; Y114-F146 HydrophobicContact CE2-CG 3.79Å; Y114-F146 HydrophobicContact CG-CB 3.76Å; Y114-F146 AromaticContact CG-CD1 3.94Å; Y114-F146 HydrophobicContact CG-CD1 3.94Å; Y114-F146 AromaticContact CG-CG 3.96Å; Y114-F146 HydrophobicContact CG-CG 3.96Å; E117-F146 HydrophobicContact CG-CD1 4.14Å; E117-F146 HydrophobicContact CG-CE1 4.32Å; E117-F146 WeakPolarHBondContact OE2-CE1 3.41Å; F146-V210 HydrophobicContact CD2-CG1 4.41Å; F146-V210 HydrophobicContact CE2-CG1 3.57Å; F146-V210 HydrophobicContact CZ-CG1 3.78Å; F146-P214 HydrophobicContact CB-CB 3.83Å; F146-P214 CarbonylContact O-C 3.58Å; F146-P214 WeakPolarHBondContact O-CA 3.34Å; F146-P214 WeakPolarHBondContact O-CB 3.44Å; F146-I215 PolarHBondContact O-N 2.83Å |
| 147 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.5 | 169.4 | -70.7 | 78.4 | 0 | 0 | 0 | 108.4 | F95 Y114 P115 A116 L118 L156 I215 V217 | F95-L147 HydrophobicContact CD1-CD1 3.93Å; F95-L147 HydrophobicContact CD1-CD2 4.28Å; F95-L147 HydrophobicContact CE1-CD1 3.87Å; F95-L147 HydrophobicContact CE1-CD2 3.96Å; Y114-L147 VanDerWaalsContact CB-O 3.32Å; Y114-L147 WeakPolarHBondContact CB-O 3.34Å; P115-L147 WeakPolarHBondContact CD-O 3.42Å; P115-L147 WeakPolarHBondContact CG-O 3.35Å; A116-L147 HydrophobicContact CB-CB 4.08Å; A116-L147 HydrophobicContact CB-CD1 4.03Å; A116-L147 HydrophobicContact CB-CD2 4.15Å; A116-L147 HydrophobicContact CB-CG 4.3Å; A116-L147 PolarHBondContact O-N 2.9Å; L118-L147 HydrophobicContact CB-CD1 4.19Å; L147-L156 HydrophobicContact CD2-CD1 3.93Å; L147-I215 CarbonylContact C-O 3.59Å; L147-I215 WeakPolarHBondContact CA-O 3.26Å; L147-I215 HydrophobicContact CG-CD1 4.1Å; L147-I215 HydrophobicContact CG-CG1 3.9Å; L147-V217 HydrophobicContact CB-CB 4.49Å; L147-V217 HydrophobicContact CB-CG1 3.83Å; L147-V217 HydrophobicContact CD2-CB 4.08Å; L147-V217 HydrophobicContact CD2-CG1 4.11Å; L147-V217 HydrophobicContact CD2-CG2 4.32Å |
| 148 | K | 98.6 | Very high | 98.3 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 40% | 0.404 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.1 | 173.7 | 63.3 | 172.8 | 172.8 | -170.7 | 0 | 110.7 | Y114 G150 P214 I215 S216 V217 | Y114-K148 HydrophobicContact CD1-CB 4.05Å; Y114-K148 HydrophobicContact CE1-CB 4.26Å; K148-G150 PolarHBondContact O-N 3.04Å; K148-P214 HydrophobicContact CB-CB 4.24Å; K148-P214 HydrophobicContact CB-CG 4.36Å; K148-P214 HydrophobicContact CD-CB 4.23Å; K148-P214 HydrophobicContact CD-CG 3.58Å; K148-P214 HydrophobicContact CG-CB 4.03Å; K148-P214 HydrophobicContact CG-CG 3.95Å; K148-I215 PolarHBondContact N-O 2.97Å; K148-S216 CarbonylContact O-C 3.53Å; K148-S216 WeakPolarHBondContact O-CA 3.33Å; K148-V217 PolarHBondContact O-N 2.84Å |
| 149 | I | 98.8 | Very high | 98.3 | Very high | 67 Ų | 67 | 37 Ų | 37 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.2 | 172.5 | -58.4 | -52.4 | 0 | 0 | 0 | 110.1 | D101 P115 V217 M222 | D101-I149 HydrophobicContact CB-CD1 3.92Å; D101-I149 HydrophobicContact CB-CG1 3.7Å; D101-I149 VanDerWaalsContact CG-CD1 3.46Å; P115-I149 HydrophobicContact CB-CD1 4.14Å; P115-I149 HydrophobicContact CG-CD1 3.93Å; P115-I149 HydrophobicContact CG-CG1 4.12Å; I149-V217 WeakPolarHBondContact CA-O 3.13Å; I149-V217 HydrophobicContact CD1-CG1 4.29Å; I149-M222 HydrophobicContact CD1-CG 3.91Å |
| 150 | G | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -174.7 | -143.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K148 S216 V217 | K148-G150 PolarHBondContact O-N 3.04Å; G150-S216 WeakPolarHBondContact CA-OG 3.4Å; G150-V217 PolarHBondContact N-O 3.21Å |
| 151 | E | 98.1 | Very high | 98.2 | Very high | 160 Ų | 160 | 42.2 Ų | 42.2 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -63.6 | 153 | 174 | -61.2 | -59.3 | 137.5 | 0 | 0 | 111.6 | N153 S216 V217 | E151-N153 PolarHBondContact O-N 3.02Å; E151-S216 PolarHBondContact N-OG 3.43Å; E151-S216 PolarHBondContact O-OG 3.08Å; E151-V217 CarbonylContact O-C 3.52Å |
| 152 | E | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | trans | -53.3 | 135 | 170.3 | -175.1 | -179.8 | 97.5 | 0 | 0 | 110.3 | P154 Q221 | E152-P154 VanDerWaalsContact O-CD 3.3Å; E152-P154 WeakPolarHBondContact O-CD 3.3Å; E152-Q221 HydrophobicContact CG-CG 4.35Å | ||
| 153 | N | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | trans | -99.6 | 104.3 | 176.9 | -172.1 | -17.8 | 0 | 0 | 0 | 109.6 | E151 N155 L156 S216 Q221 | E151-N153 PolarHBondContact O-N 3.02Å; N153-N155 PolarHBondContact O-N 3.4Å; N153-N155 VanDerWaalsContact O-N 3.08Å; N153-N155 VanDerWaalsContact OD1-CB 3.22Å; N153-N155 WeakPolarHBondContact OD1-CB 3.17Å; N153-N155 PolarHBondContact OD1-N 3.18Å; N153-L156 HydrophobicContact CB-CB 4.42Å; N153-L156 HydrophobicContact CB-CD1 3.98Å; N153-L156 HydrophobicContact CB-CG 4.19Å; N153-L156 PolarHBondContact O-N 2.83Å; N153-S216 WeakPolarHBondContact CB-O 3.23Å; N153-S216 PolarHBondContact ND2-O 2.93Å; N153-Q221 PolarHBondContact O-NE2 3.27Å | ||
| 154 | P | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 50 Ų | 50 | 58% | 0.584 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.7 | -22.7 | -178.4 | 25.4 | -34.9 | 0 | 0 | 0 | 112.2 | E152 L156 Q157 | E152-P154 VanDerWaalsContact O-CD 3.3Å; E152-P154 WeakPolarHBondContact O-CD 3.3Å; P154-L156 VanDerWaalsContact C-N 3.28Å; P154-L156 PolarHBondContact O-N 2.66Å; P154-Q157 WeakPolarHBondContact O-CB 3.43Å; P154-Q157 PolarHBondContact O-N 2.71Å |
| 155 | N | 96.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73 | -21.6 | 179.1 | -60.8 | -22.7 | 0 | 0 | 0 | 113 | N153 M182 L183 | N153-N155 PolarHBondContact O-N 3.4Å; N153-N155 VanDerWaalsContact O-N 3.08Å; N153-N155 VanDerWaalsContact OD1-CB 3.22Å; N153-N155 WeakPolarHBondContact OD1-CB 3.17Å; N153-N155 PolarHBondContact OD1-N 3.18Å; N155-M182 HydrophobicContact CB-CB 4.03Å; N155-M182 HydrophobicContact CB-CE 3.79Å; N155-M182 HydrophobicContact CB-CG 3.86Å; N155-M182 VanDerWaalsContact CB-O 3.3Å; N155-M182 WeakPolarHBondContact CB-O 3.26Å; N155-M182 HydrophobicContact CB-SD 4.48Å; N155-M182 PolarHBondContact ND2-O 2.83Å; N155-M182 WeakPolarHBondContact OD1-CE 3.38Å; N155-L183 HydrophobicContact CB-CD2 4.15Å |
| 156 | L | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -84.8 | -16.8 | 172.3 | -70.4 | 173.8 | 0 | 0 | 0 | 112.5 | F95 L147 N153 P154 K158 L159 V160 L183 V217 | F95-L156 HydrophobicContact CE1-CD2 4.19Å; F95-L156 HydrophobicContact CZ-CD2 3.83Å; L147-L156 HydrophobicContact CD2-CD1 3.93Å; N153-L156 HydrophobicContact CB-CB 4.42Å; N153-L156 HydrophobicContact CB-CD1 3.98Å; N153-L156 HydrophobicContact CB-CG 4.19Å; N153-L156 PolarHBondContact O-N 2.83Å; P154-L156 VanDerWaalsContact C-N 3.28Å; P154-L156 PolarHBondContact O-N 2.66Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.8Å; L156-L159 HydrophobicContact CD2-CD1 4.16Å; L156-L159 WeakPolarHBondContact O-CB 3.44Å; L156-L159 PolarHBondContact O-N 3.14Å; L156-V160 WeakPolarHBondContact O-CG2 3.48Å; L156-V160 PolarHBondContact O-N 3.02Å; L156-V160 VanDerWaalsContact O-N 3.1Å; L156-L183 HydrophobicContact CD2-CD2 3.58Å; L156-L183 HydrophobicContact CG-CD2 4.14Å; L156-V217 HydrophobicContact CD1-CB 4.02Å; L156-V217 HydrophobicContact CD1-CG2 3.71Å |
| 157 | Q | 97.4 | Very high | 98.1 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | -168 | -166.1 | 55.9 | 40 | 0 | 0 | 112.6 | P154 L159 V160 D161 | P154-Q157 WeakPolarHBondContact O-CB 3.43Å; P154-Q157 PolarHBondContact O-N 2.71Å; Q157-L159 PolarHBondContact O-N 3.21Å; Q157-V160 PolarHBondContact O-N 3.07Å; Q157-V160 VanDerWaalsContact O-N 3.07Å; Q157-D161 PolarHBondContact NE2-OD1 2.8Å; Q157-D161 PolarHBondContact O-N 3.34Å |
| 158 | K | 96.3 | Very high | 98 | Very high | 81 Ų | 81 | 58.6 Ų | 58.6 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -29.8 | 176.1 | -177.5 | 170.5 | 165.6 | 179.2 | 0 | 112.7 | L156 F175 A176 D177 F178 | L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.8Å; K158-F175 HydrophobicContact CD-CE2 4.37Å; K158-F175 HydrophobicContact CD-CZ 4.3Å; K158-F175 HydrophobicContact CG-CE2 3.73Å; K158-F175 HydrophobicContact CG-CZ 3.82Å; K158-F175 WeakPolarHBondContact O-CE2 3.22Å; K158-A176 PolarHBondContact NZ-O 2.9Å; K158-D177 PolarHBondContact NZ-O 2.81Å; K158-F178 HydrophobicContact CB-CE2 4.41Å; K158-F178 HydrophobicContact CD-CD2 4.02Å; K158-F178 HydrophobicContact CG-CD2 4.37Å |
| 159 | L | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.5 | -47.3 | 173.3 | -65.7 | 167.5 | 0 | 0 | 0 | 111.3 | I59 F66 V68 F93 F95 L156 Q157 D161 E162 F163 F175 F178 L183 | I59-L159 HydrophobicContact CD1-CD2 4.24Å; F66-L159 HydrophobicContact CE2-CD2 4.49Å; V68-L159 HydrophobicContact CG2-CD2 3.71Å; F93-L159 HydrophobicContact CE2-CD1 3.93Å; F93-L159 HydrophobicContact CE2-CD2 4.11Å; F93-L159 HydrophobicContact CZ-CD1 4.07Å; F93-L159 HydrophobicContact CZ-CD2 3.87Å; F95-L159 HydrophobicContact CE2-CD1 4.17Å; F95-L159 HydrophobicContact CZ-CD1 4.35Å; L156-L159 HydrophobicContact CD2-CD1 4.16Å; L156-L159 WeakPolarHBondContact O-CB 3.44Å; L156-L159 PolarHBondContact O-N 3.14Å; Q157-L159 PolarHBondContact O-N 3.21Å; L159-D161 PolarHBondContact O-N 2.98Å; L159-E162 PolarHBondContact O-N 3.24Å; L159-F163 HydrophobicContact CB-CE1 4.37Å; L159-F163 WeakPolarHBondContact O-CD1 3.14Å; L159-F163 VanDerWaalsContact O-CE1 3.32Å; L159-F163 WeakPolarHBondContact O-CE1 3.46Å; L159-F175 HydrophobicContact CD2-CE1 3.58Å; L159-F175 HydrophobicContact CD2-CE2 4.35Å; L159-F175 HydrophobicContact CD2-CZ 3.46Å; L159-F175 VanDerWaalsContact CD2-CZ 3.46Å; L159-F175 HydrophobicContact CG-CZ 4.18Å; L159-F178 HydrophobicContact CD1-CZ 4.11Å; L159-F178 HydrophobicContact CG-CE2 4.22Å; L159-F178 HydrophobicContact CG-CZ 4.17Å; L159-L183 HydrophobicContact CD1-CD1 4.06Å |
| 160 | V | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.1 | -36.6 | -178.1 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | L156 Q157 E162 F163 Q221 K224 F225 | L156-V160 WeakPolarHBondContact O-CG2 3.48Å; L156-V160 PolarHBondContact O-N 3.02Å; L156-V160 VanDerWaalsContact O-N 3.1Å; Q157-V160 PolarHBondContact O-N 3.07Å; Q157-V160 VanDerWaalsContact O-N 3.07Å; V160-E162 PolarHBondContact O-N 3.01Å; V160-F163 HydrophobicContact CG2-CE2 4.32Å; V160-F163 WeakPolarHBondContact O-CB 3.38Å; V160-F163 PolarHBondContact O-N 3.13Å; V160-Q221 HydrophobicContact CG2-CG 4.38Å; V160-K224 HydrophobicContact CG1-CB 3.75Å; V160-K224 HydrophobicContact CG1-CD 4.44Å; V160-K224 HydrophobicContact CG1-CG 3.7Å; V160-F225 HydrophobicContact CG2-CE2 4.01Å |
| 161 | D | 98 | Very high | 98 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.2 | 178.3 | -66.6 | -19.5 | 0 | 0 | 0 | 112.8 | Q157 L159 | Q157-D161 PolarHBondContact NE2-OD1 2.8Å; Q157-D161 PolarHBondContact O-N 3.34Å; L159-D161 PolarHBondContact O-N 2.98Å |
| 162 | E | 98.3 | Very high | 98 | Very high | 53 Ų | 53 | 57 Ų | 57 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.1 | 178.6 | -62.8 | -58.9 | 153.8 | 0 | 0 | 113.8 | I59 L159 V160 D164 S165 I166 C173 F175 | I59-E162 HydrophobicContact CD1-CB 4.4Å; I59-E162 HydrophobicContact CG2-CB 4.17Å; I59-E162 HydrophobicContact CG2-CG 4.47Å; L159-E162 PolarHBondContact O-N 3.24Å; V160-E162 PolarHBondContact O-N 3.01Å; E162-D164 VanDerWaalsContact C-N 3.27Å; E162-D164 PolarHBondContact O-N 2.85Å; E162-S165 WeakPolarHBondContact O-CA 3.27Å; E162-S165 VanDerWaalsContact O-CB 3.31Å; E162-S165 WeakPolarHBondContact O-CB 3.41Å; E162-S165 PolarHBondContact O-N 3.44Å; E162-I166 WeakPolarHBondContact O-CG1 3.04Å; E162-I166 PolarHBondContact O-N 2.95Å; E162-C173 PolarHBondContact OE2-SG 3.47Å; E162-F175 HydrophobicContact CG-CD2 3.75Å; E162-F175 HydrophobicContact CG-CE2 3.83Å |
| 163 | F | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.5 | -170.9 | -74.6 | 2.8 | 0 | 0 | 0 | 114 | F66 L159 V160 S165 I166 K167 K224 F225 L228 | F66-F163 AromaticContact CD1-CE1 3.98Å; F66-F163 HydrophobicContact CD1-CE1 3.98Å; F66-F163 HydrophobicContact CD1-CZ 4Å; F66-F163 HydrophobicContact CD2-CE1 4.42Å; F66-F163 AromaticContact CE1-CE1 3.81Å; F66-F163 HydrophobicContact CE1-CE1 3.81Å; F66-F163 HydrophobicContact CE1-CE2 4.49Å; F66-F163 AromaticContact CE1-CZ 3.48Å; F66-F163 HydrophobicContact CE1-CZ 3.48Å; F66-F163 VanDerWaalsContact CE1-CZ 3.48Å; F66-F163 HydrophobicContact CE2-CE1 4.26Å; F66-F163 HydrophobicContact CG-CE1 4.27Å; F66-F163 AromaticContact CZ-CE1 3.94Å; F66-F163 HydrophobicContact CZ-CE1 3.94Å; F66-F163 AromaticContact CZ-CZ 3.77Å; F66-F163 HydrophobicContact CZ-CZ 3.77Å; L159-F163 HydrophobicContact CB-CE1 4.37Å; L159-F163 WeakPolarHBondContact O-CD1 3.14Å; L159-F163 VanDerWaalsContact O-CE1 3.32Å; L159-F163 WeakPolarHBondContact O-CE1 3.46Å; V160-F163 HydrophobicContact CG2-CE2 4.32Å; V160-F163 WeakPolarHBondContact O-CB 3.38Å; V160-F163 PolarHBondContact O-N 3.13Å; F163-S165 VanDerWaalsContact C-N 3.3Å; F163-I166 HydrophobicContact CD1-CD1 4.25Å; F163-I166 HydrophobicContact CD1-CG1 4.5Å; F163-I166 CarbonylContact O-C 3.5Å; F163-I166 PolarHBondContact O-N 3.29Å; F163-K167 WeakPolarHBondContact O-CA 3.29Å; F163-K167 PolarHBondContact O-N 3.01Å; F163-K167 VanDerWaalsContact O-N 3.08Å; F163-K224 HydrophobicContact CD2-CB 3.98Å; F163-K224 WeakPolarHBondContact CD2-O 3.38Å; F163-K224 HydrophobicContact CE2-CB 4.35Å; F163-F225 HydrophobicContact CE2-CB 4.29Å; F163-F225 HydrophobicContact CE2-CD1 4.47Å; F163-F225 AromaticContact CE2-CD2 3.44Å; F163-F225 HydrophobicContact CE2-CD2 3.44Å; F163-F225 VanDerWaalsContact CE2-CD2 3.44Å; F163-F225 AromaticContact CE2-CE2 3.79Å; F163-F225 HydrophobicContact CE2-CE2 3.79Å; F163-F225 AromaticContact CE2-CG 3.82Å; F163-F225 HydrophobicContact CE2-CG 3.82Å; F163-F225 HydrophobicContact CE2-CZ 4.45Å; F163-F225 HydrophobicContact CZ-CD1 4.39Å; F163-F225 AromaticContact CZ-CD2 3.87Å; F163-F225 HydrophobicContact CZ-CD2 3.87Å; F163-F225 HydrophobicContact CZ-CE1 4.33Å; F163-F225 AromaticContact CZ-CE2 3.8Å; F163-F225 HydrophobicContact CZ-CE2 3.8Å; F163-F225 HydrophobicContact CZ-CG 4.16Å; F163-F225 HydrophobicContact CZ-CZ 4.04Å; F163-L228 HydrophobicContact CB-CD2 3.93Å; F163-L228 HydrophobicContact CD1-CD1 4.46Å; F163-L228 HydrophobicContact CD1-CD2 4.48Å; F163-L228 HydrophobicContact CD2-CD1 4.42Å; F163-L228 HydrophobicContact CD2-CG 4.36Å; F163-L228 HydrophobicContact CE1-CD1 4.48Å; F163-L228 HydrophobicContact CE2-CD1 4.47Å; F163-L228 HydrophobicContact CG-CD1 4.43Å; F163-L228 HydrophobicContact CG-CD2 4.1Å; F163-L228 HydrophobicContact CG-CG 4.36Å; F163-L228 HydrophobicContact CZ-CD1 4.49Å |
| 164 | D | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 56.8 Ų | 56.8 | 61% | 0.61 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.4 | 174.3 | -70.4 | -24.6 | 0 | 0 | 0 | 111.3 | E162 I166 | E162-D164 VanDerWaalsContact C-N 3.27Å; E162-D164 PolarHBondContact O-N 2.85Å; D164-I166 VanDerWaalsContact C-N 3.34Å |
| 165 | S | 98.3 | Very high | 97.9 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -26.4 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | E162 F163 | E162-S165 WeakPolarHBondContact O-CA 3.27Å; E162-S165 VanDerWaalsContact O-CB 3.31Å; E162-S165 WeakPolarHBondContact O-CB 3.41Å; E162-S165 PolarHBondContact O-N 3.44Å; F163-S165 VanDerWaalsContact C-N 3.3Å |
| 166 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 29.2 | -179.1 | 61.2 | 142.7 | 0 | 0 | 0 | 113.5 | I59 N61 F66 E162 F163 D164 T168 S171 L228 | I59-I166 HydrophobicContact CD1-CD1 3.71Å; I59-I166 HydrophobicContact CD1-CG1 4.48Å; I59-I166 HydrophobicContact CG1-CD1 3.83Å; I59-I166 HydrophobicContact CG2-CG2 4.09Å; N61-I166 HydrophobicContact CB-CB 4.24Å; N61-I166 HydrophobicContact CB-CD1 4.38Å; N61-I166 WeakPolarHBondContact CB-O 3.45Å; N61-I166 PolarHBondContact ND2-O 3.15Å; N61-I166 VanDerWaalsContact ND2-O 3.11Å; F66-I166 HydrophobicContact CB-CD1 3.55Å; F66-I166 HydrophobicContact CG-CD1 4.33Å; E162-I166 WeakPolarHBondContact O-CG1 3.04Å; E162-I166 PolarHBondContact O-N 2.95Å; F163-I166 HydrophobicContact CD1-CD1 4.25Å; F163-I166 HydrophobicContact CD1-CG1 4.5Å; F163-I166 CarbonylContact O-C 3.5Å; F163-I166 PolarHBondContact O-N 3.29Å; D164-I166 VanDerWaalsContact C-N 3.34Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 3.03Å; I166-S171 WeakPolarHBondContact CA-OG 3.13Å; I166-S171 PolarHBondContact O-OG 3.26Å; I166-L228 HydrophobicContact CD1-CD2 4.27Å; I166-L228 HydrophobicContact CG1-CD2 4.28Å |
| 167 | K | 98.5 | Very high | 97.7 | Very high | 80 Ų | 80 | 57.3 Ų | 57.3 | 35% | 0.348 | 31% | 0.313 | S | S | . | . | trans | -59.1 | -40.7 | -169.6 | -173.5 | 177.3 | 178.6 | -166.7 | 0 | 113.6 | N61 F163 L229 E237 | N61-K167 PolarHBondContact ND2-O 2.97Å; N61-K167 VanDerWaalsContact ND2-O 3.15Å; F163-K167 WeakPolarHBondContact O-CA 3.29Å; F163-K167 PolarHBondContact O-N 3.01Å; F163-K167 VanDerWaalsContact O-N 3.08Å; K167-L229 HydrophobicContact CG-CD1 4.42Å; K167-L229 HydrophobicContact CG-CG 4.27Å; K167-L229 PolarHBondContact O-N 3.47Å; K167-E237 IonicContact NZ-OE1 3.92Å | ||
| 168 | T | 98.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -105.2 | 159.4 | -174 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | N61 I166 D170 S171 L229 S231 | N61-T168 WeakPolarHBondContact CB-O 3.49Å; N61-T168 VanDerWaalsContact ND2-C 3.32Å; N61-T168 PolarHBondContact ND2-O 3.46Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 3.03Å; T168-D170 PolarHBondContact O-N 3.01Å; T168-S171 PolarHBondContact N-OG 3.18Å; T168-S171 WeakPolarHBondContact O-CB 3.47Å; T168-S171 PolarHBondContact O-N 3.48Å; T168-S171 PolarHBondContact O-OG 2.81Å; T168-L229 HydrophobicContact CG2-CD1 3.99Å; T168-S231 WeakPolarHBondContact CB-O 3.41Å |
| 169 | K | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -51.4 | 142.6 | 171.6 | 173.1 | -178.7 | 176 | -172 | 0 | 112 | S171 F230 S231 | K169-S171 PolarHBondContact O-N 2.92Å; K169-F230 WeakPolarHBondContact CB-O 3.37Å; K169-S231 PolarHBondContact N-O 3.34Å |
| 170 | D | 98 | Very high | 97.7 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 4.9 | -179.9 | -54.4 | -37.9 | 0 | 0 | 0 | 114.7 | N61 T168 | N61-D170 WeakPolarHBondContact O-CA 3.24Å; N61-D170 PolarHBondContact O-N 3.14Å; T168-D170 PolarHBondContact O-N 3.01Å |
| 171 | S | 98.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | trans | -81.6 | 137.5 | 170.1 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | N61 I166 T168 K169 | N61-S171 PolarHBondContact N-O 2.55Å; I166-S171 WeakPolarHBondContact CA-OG 3.13Å; I166-S171 PolarHBondContact O-OG 3.26Å; T168-S171 PolarHBondContact N-OG 3.18Å; T168-S171 WeakPolarHBondContact O-CB 3.47Å; T168-S171 PolarHBondContact O-N 3.48Å; T168-S171 PolarHBondContact O-OG 2.81Å; K169-S171 PolarHBondContact O-N 2.92Å | ||
| 172 | Q | 98.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 55.8 Ų | 55.8 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.9 | -176.9 | 60.1 | 177.7 | 60.2 | 0 | 0 | 111.4 | E58 I59 L60 | E58-Q172 PolarHBondContact OE2-NE2 3.09Å; I59-Q172 VanDerWaalsContact O-CA 3.26Å; I59-Q172 WeakPolarHBondContact O-CA 3.48Å; L60-Q172 HydrophobicContact CB-CB 4.13Å; L60-Q172 HydrophobicContact CD1-CB 3.88Å |
| 173 | C | 98 | Very high | 97.6 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161.2 | 169.5 | 64 | 0 | 0 | 0 | 0 | 111.2 | E58 I59 E162 F175 | E58-C173 WeakPolarHBondContact CA-O 3.34Å; E58-C173 WeakPolarHBondContact CB-O 3.24Å; I59-C173 WeakPolarHBondContact CG2-SG 3.4Å; I59-C173 PolarHBondContact N-O 3.35Å; I59-C173 PolarHBondContact O-N 3.48Å; E162-C173 PolarHBondContact OE2-SG 3.47Å; C173-F175 PolarHBondContact O-N 2.95Å |
| 174 | S | 97.7 | Very high | 97.6 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 69% | 0.685 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133.9 | 172.6 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 175 | F | 97.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | trans | -141.6 | 88.4 | -179.6 | -168.7 | -108.1 | 0 | 0 | 0 | 108.8 | C56 L57 I59 V68 K158 L159 E162 C173 F178 | C56-F175 CarbonylContact C-O 3.57Å; C56-F175 PolarHBondContact SG-O 3.16Å; L57-F175 CarbonylContact C-O 3.44Å; L57-F175 PolarHBondContact N-O 2.96Å; L57-F175 PolarHBondContact O-N 3.37Å; I59-F175 HydrophobicContact CB-CB 3.95Å; I59-F175 HydrophobicContact CB-CG 4.19Å; I59-F175 HydrophobicContact CG2-CB 3.86Å; I59-F175 HydrophobicContact CG2-CD2 4.35Å; I59-F175 HydrophobicContact CG2-CG 4.21Å; V68-F175 HydrophobicContact CG1-CD1 3.77Å; V68-F175 HydrophobicContact CG1-CE1 4.17Å; V68-F175 HydrophobicContact CG2-CD1 4.19Å; V68-F175 HydrophobicContact CG2-CE1 4.25Å; K158-F175 HydrophobicContact CD-CE2 4.37Å; K158-F175 HydrophobicContact CD-CZ 4.3Å; K158-F175 HydrophobicContact CG-CE2 3.73Å; K158-F175 HydrophobicContact CG-CZ 3.82Å; K158-F175 WeakPolarHBondContact O-CE2 3.22Å; L159-F175 HydrophobicContact CD2-CE1 3.58Å; L159-F175 HydrophobicContact CD2-CE2 4.35Å; L159-F175 HydrophobicContact CD2-CZ 3.46Å; L159-F175 VanDerWaalsContact CD2-CZ 3.46Å; L159-F175 HydrophobicContact CG-CZ 4.18Å; E162-F175 HydrophobicContact CG-CD2 3.75Å; E162-F175 HydrophobicContact CG-CE2 3.83Å; C173-F175 PolarHBondContact O-N 2.95Å; F175-F178 HydrophobicContact CD1-CB 4.2Å; F175-F178 HydrophobicContact CE1-CB 3.56Å; F175-F178 HydrophobicContact CE1-CD1 4.17Å; F175-F178 AromaticContact CE1-CD2 3.66Å; F175-F178 HydrophobicContact CE1-CD2 3.66Å; F175-F178 HydrophobicContact CE1-CE2 4.41Å; F175-F178 AromaticContact CE1-CG 3.52Å; F175-F178 HydrophobicContact CE1-CG 3.52Å; F175-F178 HydrophobicContact CZ-CB 4.2Å; F175-F178 AromaticContact CZ-CD2 3.59Å; F175-F178 HydrophobicContact CZ-CD2 3.59Å; F175-F178 HydrophobicContact CZ-CE2 4.18Å; F175-F178 AromaticContact CZ-CG 3.97Å; F175-F178 HydrophobicContact CZ-CG 3.97Å | ||
| 176 | A | 94.2 | Very high | 97.4 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | trans | -102.8 | 165.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K158 F178 | K158-A176 PolarHBondContact NZ-O 2.9Å; A176-F178 PolarHBondContact O-N 2.88Å | ||
| 177 | D | 95.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 60% | 0.599 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 55.2 | 52.7 | 171.7 | -58.7 | -45.1 | 0 | 0 | 0 | 113.2 | P53 K158 | P53-D177 VanDerWaalsContact O-CA 3.3Å; P53-D177 WeakPolarHBondContact O-CA 3.36Å; P53-D177 PolarHBondContact O-N 3.31Å; K158-D177 PolarHBondContact NZ-O 2.81Å |
| 178 | F | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | trans | -118.9 | 124.1 | 176.5 | -172.4 | -92.6 | 0 | 0 | 0 | 110.2 | P53 C56 F93 K158 L159 F175 A176 P180 M182 L183 | P53-F178 WeakPolarHBondContact CA-O 3.09Å; P53-F178 PolarHBondContact O-N 2.85Å; C56-F178 HydrophobicContact CB-CB 4.17Å; F93-F178 AromaticContact CE1-CD1 3.88Å; F93-F178 HydrophobicContact CE1-CD1 3.88Å; F93-F178 AromaticContact CE1-CE1 3.72Å; F93-F178 HydrophobicContact CE1-CE1 3.72Å; F93-F178 HydrophobicContact CZ-CD1 4.06Å; F93-F178 AromaticContact CZ-CE1 3.65Å; F93-F178 HydrophobicContact CZ-CE1 3.65Å; F93-F178 HydrophobicContact CZ-CZ 4.4Å; K158-F178 HydrophobicContact CB-CE2 4.41Å; K158-F178 HydrophobicContact CD-CD2 4.02Å; K158-F178 HydrophobicContact CG-CD2 4.37Å; L159-F178 HydrophobicContact CD1-CZ 4.11Å; L159-F178 HydrophobicContact CG-CE2 4.22Å; L159-F178 HydrophobicContact CG-CZ 4.17Å; F175-F178 HydrophobicContact CD1-CB 4.2Å; F175-F178 HydrophobicContact CE1-CB 3.56Å; F175-F178 HydrophobicContact CE1-CD1 4.17Å; F175-F178 AromaticContact CE1-CD2 3.66Å; F175-F178 HydrophobicContact CE1-CD2 3.66Å; F175-F178 HydrophobicContact CE1-CE2 4.41Å; F175-F178 AromaticContact CE1-CG 3.52Å; F175-F178 HydrophobicContact CE1-CG 3.52Å; F175-F178 HydrophobicContact CZ-CB 4.2Å; F175-F178 AromaticContact CZ-CD2 3.59Å; F175-F178 HydrophobicContact CZ-CD2 3.59Å; F175-F178 HydrophobicContact CZ-CE2 4.18Å; F175-F178 AromaticContact CZ-CG 3.97Å; F175-F178 HydrophobicContact CZ-CG 3.97Å; A176-F178 PolarHBondContact O-N 2.88Å; F178-P180 HydrophobicContact CE1-CB 4.47Å; F178-P180 VanDerWaalsContact O-CD 3.32Å; F178-P180 WeakPolarHBondContact O-CD 3.43Å; F178-M182 HydrophobicContact CD2-SD 4.13Å; F178-M182 HydrophobicContact CE1-SD 4.42Å; F178-M182 HydrophobicContact CE2-CG 4.47Å; F178-M182 HydrophobicContact CE2-SD 3.58Å; F178-M182 VanDerWaalsContact CE2-SD 3.58Å; F178-M182 HydrophobicContact CZ-CG 4.04Å; F178-M182 HydrophobicContact CZ-SD 3.74Å; F178-L183 HydrophobicContact CE1-CD1 3.8Å; F178-L183 HydrophobicContact CE1-CG 4.19Å; F178-L183 HydrophobicContact CZ-CD1 3.8Å; F178-L183 HydrophobicContact CZ-CD2 4.21Å; F178-L183 HydrophobicContact CZ-CG 3.97Å | ||
| 179 | N | 97.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | trans | -95.4 | 106.3 | 176.1 | -171.2 | -8.9 | 0 | 0 | 0 | 110 | Y51 P53 E181 M182 | Y51-N179 WeakPolarHBondContact CB-OD1 3.07Å; P53-N179 HydrophobicContact CB-CB 4.37Å; P53-N179 HydrophobicContact CG-CB 3.8Å; N179-E181 PolarHBondContact O-N 3.08Å; N179-E181 WeakPolarHBondContact OD1-CB 3.34Å; N179-E181 PolarHBondContact OD1-N 2.81Å; N179-M182 WeakPolarHBondContact O-CG 3.22Å; N179-M182 PolarHBondContact O-N 3.38Å; N179-M182 VanDerWaalsContact O-N 3.14Å | ||
| 180 | P | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -64.9 | -12.7 | 179.3 | 20.7 | -25.8 | 0 | 0 | 0 | 114.5 | Y51 F70 L90 F93 L120 F178 M182 L183 | Y51-P180 HydrophobicContact CD1-CG 4.33Å; Y51-P180 HydrophobicContact CD2-CB 4.24Å; Y51-P180 HydrophobicContact CD2-CG 3.59Å; Y51-P180 HydrophobicContact CE2-CB 4.31Å; Y51-P180 HydrophobicContact CE2-CG 3.99Å; Y51-P180 HydrophobicContact CG-CG 3.75Å; F70-P180 HydrophobicContact CE1-CG 4.04Å; F70-P180 HydrophobicContact CZ-CB 4.41Å; F70-P180 HydrophobicContact CZ-CG 3.79Å; L90-P180 HydrophobicContact CD2-CG 3.62Å; F93-P180 HydrophobicContact CD1-CB 4.12Å; F93-P180 HydrophobicContact CE1-CB 4.17Å; L120-P180 HydrophobicContact CD2-CB 3.55Å; L120-P180 HydrophobicContact CD2-CG 4.33Å; F178-P180 HydrophobicContact CE1-CB 4.47Å; F178-P180 VanDerWaalsContact O-CD 3.32Å; F178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-M182 PolarHBondContact O-N 2.73Å; P180-L183 WeakPolarHBondContact O-CB 3.12Å; P180-L183 PolarHBondContact O-N 2.8Å |
| 181 | E | 96.4 | Very high | 97.4 | Very high | 96 Ų | 96 | 44.2 Ų | 44.2 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -58.3 | -29 | 172.8 | -162.6 | 176.8 | 175.7 | 0 | 0 | 111.9 | Y51 N179 L183 L184 | Y51-E181 HydrophobicContact CD2-CB 3.98Å; N179-E181 PolarHBondContact O-N 3.08Å; N179-E181 WeakPolarHBondContact OD1-CB 3.34Å; N179-E181 PolarHBondContact OD1-N 2.81Å; E181-L183 PolarHBondContact O-N 2.87Å; E181-L183 VanDerWaalsContact O-N 3.15Å; E181-L184 HydrophobicContact CB-CD1 4.44Å; E181-L184 HydrophobicContact CG-CD1 3.97Å; E181-L184 WeakPolarHBondContact O-CB 3.29Å; E181-L184 PolarHBondContact O-N 2.92Å; E181-L184 VanDerWaalsContact O-N 3.08Å |
| 182 | M | 96.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 43 Ų | 43 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -66.7 | -13.2 | 177.1 | 75.6 | -166.6 | -48.8 | 0 | 0 | 113.7 | N155 F178 N179 P180 | N155-M182 HydrophobicContact CB-CB 4.03Å; N155-M182 HydrophobicContact CB-CE 3.79Å; N155-M182 HydrophobicContact CB-CG 3.86Å; N155-M182 VanDerWaalsContact CB-O 3.3Å; N155-M182 WeakPolarHBondContact CB-O 3.26Å; N155-M182 HydrophobicContact CB-SD 4.48Å; N155-M182 PolarHBondContact ND2-O 2.83Å; N155-M182 WeakPolarHBondContact OD1-CE 3.38Å; F178-M182 HydrophobicContact CD2-SD 4.13Å; F178-M182 HydrophobicContact CE1-SD 4.42Å; F178-M182 HydrophobicContact CE2-CG 4.47Å; F178-M182 HydrophobicContact CE2-SD 3.58Å; F178-M182 VanDerWaalsContact CE2-SD 3.58Å; F178-M182 HydrophobicContact CZ-CG 4.04Å; F178-M182 HydrophobicContact CZ-SD 3.74Å; N179-M182 WeakPolarHBondContact O-CG 3.22Å; N179-M182 PolarHBondContact O-N 3.38Å; N179-M182 VanDerWaalsContact O-N 3.14Å; P180-M182 PolarHBondContact O-N 2.73Å |
| 183 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -98.5 | 7.3 | 176.8 | -55.3 | -178.2 | 0 | 0 | 0 | 112.7 | F93 F95 L118 N155 L156 L159 F178 P180 E181 | F93-L183 HydrophobicContact CE2-CD1 4.24Å; F93-L183 HydrophobicContact CZ-CD1 4.12Å; F95-L183 HydrophobicContact CZ-CD1 4.21Å; L118-L183 HydrophobicContact CD2-CB 3.63Å; L118-L183 HydrophobicContact CD2-CD1 4.16Å; N155-L183 HydrophobicContact CB-CD2 4.15Å; L156-L183 HydrophobicContact CD2-CD2 3.58Å; L156-L183 HydrophobicContact CG-CD2 4.14Å; L159-L183 HydrophobicContact CD1-CD1 4.06Å; F178-L183 HydrophobicContact CE1-CD1 3.8Å; F178-L183 HydrophobicContact CE1-CG 4.19Å; F178-L183 HydrophobicContact CZ-CD1 3.8Å; F178-L183 HydrophobicContact CZ-CD2 4.21Å; F178-L183 HydrophobicContact CZ-CG 3.97Å; P180-L183 WeakPolarHBondContact O-CB 3.12Å; P180-L183 PolarHBondContact O-N 2.8Å; E181-L183 PolarHBondContact O-N 2.87Å; E181-L183 VanDerWaalsContact O-N 3.15Å |
| 184 | L | 98.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -91 | 150.3 | 175.5 | -60.6 | 175 | 0 | 0 | 0 | 111.1 | L49 L120 V143 V145 E181 L188 | L49-L184 HydrophobicContact CD1-CD1 3.42Å; L49-L184 VanDerWaalsContact CD1-CD1 3.42Å; L49-L184 HydrophobicContact CD1-CD2 4.29Å; L120-L184 HydrophobicContact CD1-CD2 3.64Å; V143-L184 HydrophobicContact CG1-CD2 4.28Å; V145-L184 HydrophobicContact CG2-CD2 4.12Å; E181-L184 HydrophobicContact CB-CD1 4.44Å; E181-L184 HydrophobicContact CG-CD1 3.97Å; E181-L184 WeakPolarHBondContact O-CB 3.29Å; E181-L184 PolarHBondContact O-N 2.92Å; E181-L184 VanDerWaalsContact O-N 3.08Å; L184-L188 HydrophobicContact CB-CD2 4.14Å; L184-L188 HydrophobicContact CD1-CD2 4.38Å |
| 185 | P | 97.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | trans | -68.7 | 163.1 | 171.1 | 30.9 | -35.6 | 0 | 0 | 0 | 111.6 | C187 L188 C211 E213 I215 | P185-C187 VanDerWaalsContact C-N 3.33Å; P185-C187 WeakPolarHBondContact CG-O 3.46Å; P185-C187 PolarHBondContact O-N 3Å; P185-L188 HydrophobicContact CG-CD2 4.27Å; P185-C211 HydrophobicContact CG-CB 3.96Å; P185-E213 HydrophobicContact CB-CB 3.77Å; P185-E213 HydrophobicContact CB-CG 3.81Å; P185-E213 WeakPolarHBondContact CB-O 3.44Å; P185-E213 HydrophobicContact CG-CB 4.32Å; P185-E213 WeakPolarHBondContact CG-O 3.18Å; P185-I215 HydrophobicContact CB-CG2 4.22Å | ||
| 186 | G | 95.8 | Very high | 97.6 | Very high | 84 Ų | 84 | 34.8 Ų | 34.8 | 87% | 0.866 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -65.2 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 187 | C | 96.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 34.2 Ų | 34.2 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | trans | -103.5 | 122.9 | 172.3 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | P185 D189 E213 | P185-C187 VanDerWaalsContact C-N 3.33Å; P185-C187 WeakPolarHBondContact CG-O 3.46Å; P185-C187 PolarHBondContact O-N 3Å; C187-D189 VanDerWaalsContact C-N 3.28Å; C187-D189 PolarHBondContact O-N 3.15Å; C187-D189 VanDerWaalsContact SG-CG 3.53Å; C187-E213 WeakPolarHBondContact CB-OE2 3.4Å; C187-E213 PolarHBondContact N-OE2 2.95Å | ||
| 188 | L | 97.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 29.1 Ų | 29.1 | 29% | 0.288 | 17% | 0.171 | S | C | . | . | trans | -91.8 | 29.2 | 176.7 | -63.2 | -178.7 | 0 | 0 | 0 | 112.9 | L47 L49 L184 P185 Y190 | L47-L188 HydrophobicContact CB-CD1 4.48Å; L47-L188 HydrophobicContact CD1-CB 4.42Å; L49-L188 HydrophobicContact CD1-CD1 4.24Å; L184-L188 HydrophobicContact CB-CD2 4.14Å; L184-L188 HydrophobicContact CD1-CD2 4.38Å; P185-L188 HydrophobicContact CG-CD2 4.27Å; L188-Y190 VanDerWaalsContact O-CD1 3.3Å; L188-Y190 WeakPolarHBondContact O-CD1 3.37Å | ||
| 189 | D | 98.5 | Very high | 98 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | trans | -60.5 | 135.3 | 166.3 | -86.5 | -5 | 0 | 0 | 0 | 109.4 | C187 K212 F259 | C187-D189 VanDerWaalsContact C-N 3.28Å; C187-D189 PolarHBondContact O-N 3.15Å; C187-D189 VanDerWaalsContact SG-CG 3.53Å; D189-K212 HydrophobicContact CB-CB 4.15Å; D189-K212 HydrophobicContact CB-CD 4.15Å; D189-K212 WeakPolarHBondContact O-CB 3.35Å; D189-K212 PolarHBondContact O-N 2.84Å; D189-F259 HydrophobicContact CB-CB 4.34Å; D189-F259 HydrophobicContact CB-CD1 3.65Å; D189-F259 HydrophobicContact CB-CE1 4.29Å; D189-F259 HydrophobicContact CB-CG 4.19Å; D189-F259 WeakPolarHBondContact OD2-CB 3.18Å | ||
| 190 | Y | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.5 | -172.3 | 64.6 | -88.8 | 0 | 0 | 0 | 113.7 | L44 K45 L47 G82 P83 L188 T192 I209 V210 S258 | L44-Y190 WeakPolarHBondContact CB-OH 3.26Å; L44-Y190 HydrophobicContact CD1-CE2 4.1Å; L44-Y190 HydrophobicContact CD2-CE2 4.29Å; K45-Y190 PolarHBondContact O-OH 3.2Å; L47-Y190 HydrophobicContact CD1-CD1 3.79Å; L47-Y190 HydrophobicContact CD1-CE1 4.23Å; L47-Y190 HydrophobicContact CD1-CG 4.31Å; L47-Y190 HydrophobicContact CD2-CD1 4.32Å; L47-Y190 HydrophobicContact CD2-CE1 4.02Å; L47-Y190 HydrophobicContact CG-CD1 3.81Å; L47-Y190 HydrophobicContact CG-CE1 3.72Å; G82-Y190 WeakPolarHBondContact CA-OH 3.23Å; P83-Y190 HydrophobicContact CG-CE2 4.22Å; L188-Y190 VanDerWaalsContact O-CD1 3.3Å; L188-Y190 WeakPolarHBondContact O-CD1 3.37Å; Y190-T192 HydrophobicContact CD2-CG2 4.4Å; Y190-T192 HydrophobicContact CE2-CG2 4.04Å; Y190-I209 HydrophobicContact CD1-CG2 4.46Å; Y190-I209 HydrophobicContact CD2-CG2 3.9Å; Y190-I209 HydrophobicContact CG-CG2 3.82Å; Y190-V210 CarbonylContact C-O 3.56Å; Y190-V210 VanDerWaalsContact CA-O 3.3Å; Y190-V210 WeakPolarHBondContact CA-O 3.46Å; Y190-S258 PolarHBondContact N-OG 2.92Å; Y190-S258 PolarHBondContact O-N 2.79Å; Y190-S258 PolarHBondContact O-OG 2.94Å |
| 191 | W | 98.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 151.2 | 158.7 | -63.1 | -76.1 | 0 | 0 | 0 | 110.4 | I33 P35 V109 I209 V210 K212 V255 R256 F259 | I33-W191 HydrophobicContact CD1-CB 4.21Å; I33-W191 HydrophobicContact CD1-CD2 4.32Å; I33-W191 HydrophobicContact CD1-CE3 4.05Å; I33-W191 HydrophobicContact CD1-CG 4.42Å; I33-W191 HydrophobicContact CG2-CD2 3.75Å; I33-W191 HydrophobicContact CG2-CE3 4.28Å; I33-W191 HydrophobicContact CG2-CG 3.85Å; I33-W191 HydrophobicContact CG2-CZ2 4.36Å; P35-W191 HydrophobicContact CB-CZ2 4.34Å; P35-W191 HydrophobicContact CG-CZ2 4Å; V109-W191 HydrophobicContact CG1-CH2 4Å; V109-W191 HydrophobicContact CG1-CZ2 4.46Å; V109-W191 HydrophobicContact CG2-CH2 4.17Å; V109-W191 HydrophobicContact CG2-CZ3 4.04Å; W191-I209 CarbonylContact O-C 3.51Å; W191-I209 WeakPolarHBondContact O-CA 2.88Å; W191-V210 PolarHBondContact N-O 3.38Å; W191-V210 PolarHBondContact O-N 2.83Å; W191-K212 HydrophobicContact CH2-CB 4.15Å; W191-K212 HydrophobicContact CH2-CG 3.82Å; W191-K212 HydrophobicContact CZ2-CG 4.31Å; W191-K212 HydrophobicContact CZ3-CB 4.04Å; W191-K212 HydrophobicContact CZ3-CG 4.22Å; W191-V255 HydrophobicContact CB-CG1 3.78Å; W191-V255 HydrophobicContact CG-CG1 4.12Å; W191-R256 CarbonylContact C-O 3.34Å; W191-R256 VanDerWaalsContact CA-O 3.23Å; W191-R256 WeakPolarHBondContact CA-O 3.3Å; W191-F259 HydrophobicContact CD2-CE1 4.36Å; W191-F259 HydrophobicContact CD2-CZ 4.23Å; W191-F259 AromaticContact CE2-CZ 3.5Å; W191-F259 VanDerWaalsContact CE2-CZ 3.5Å; W191-F259 HydrophobicContact CH2-CZ 4.43Å; W191-F259 HydrophobicContact CZ2-CE1 4.44Å; W191-F259 AromaticContact CZ2-CZ 3.61Å; W191-F259 HydrophobicContact CZ2-CZ 3.61Å; W191-F259 AromaticContact NE1-CZ 3.49Å |
| 192 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.3 | 175.8 | -177 | 0 | 0 | 0 | 0 | 113 | L44 P83 Y190 W208 R256 | L44-T192 HydrophobicContact CD1-CG2 3.75Å; L44-T192 HydrophobicContact CD2-CG2 3.96Å; P83-T192 HydrophobicContact CB-CG2 3.98Å; P83-T192 WeakPolarHBondContact CB-OG1 3.39Å; P83-T192 HydrophobicContact CG-CG2 4.34Å; P83-T192 WeakPolarHBondContact CG-OG1 3.37Å; Y190-T192 HydrophobicContact CD2-CG2 4.4Å; Y190-T192 HydrophobicContact CE2-CG2 4.04Å; T192-W208 WeakPolarHBondContact CA-O 3.32Å; T192-W208 VanDerWaalsContact CB-O 3.22Å; T192-W208 WeakPolarHBondContact CB-O 3.3Å; T192-W208 PolarHBondContact OG1-O 3.4Å; T192-R256 HydrophobicContact CG2-CB 3.91Å; T192-R256 PolarHBondContact N-O 2.77Å; T192-R256 PolarHBondContact O-N 3.11Å |
| 193 | Y | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 160.2 | 176.1 | 75.1 | -80.4 | 0 | 0 | 0 | 111 | S29 I31 H107 W208 | S29-Y193 WeakPolarHBondContact CB-OH 3.39Å; S29-Y193 WeakPolarHBondContact OG-CE2 3.3Å; S29-Y193 PolarHBondContact OG-OH 3.14Å; I31-Y193 HydrophobicContact CD1-CD1 3.73Å; I31-Y193 HydrophobicContact CD1-CD2 3.88Å; I31-Y193 HydrophobicContact CD1-CE1 3.72Å; I31-Y193 HydrophobicContact CD1-CE2 3.88Å; I31-Y193 HydrophobicContact CD1-CG 3.82Å; I31-Y193 HydrophobicContact CG1-CD1 4.33Å; I31-Y193 HydrophobicContact CG1-CE1 3.79Å; I31-Y193 HydrophobicContact CG1-CE2 4.07Å; I31-Y193 HydrophobicContact CG2-CE2 4.15Å; H107-Y193 AromaticContact NE2-CE1 3.48Å; H107-Y193 WeakPolarHBondContact NE2-CE1 3.41Å; H107-Y193 AromaticContact NE2-CZ 3.47Å; H107-Y193 PolarHBondContact NE2-OH 3.06Å; Y193-W208 HydrophobicContact CD1-CB 3.67Å; Y193-W208 HydrophobicContact CD1-CG 4.36Å; Y193-W208 HydrophobicContact CE1-CB 3.36Å; Y193-W208 AromaticContact CE1-CD1 3.99Å; Y193-W208 HydrophobicContact CE1-CD2 4.45Å; Y193-W208 AromaticContact CE1-CG 3.62Å; Y193-W208 HydrophobicContact CE1-CG 3.62Å; Y193-W208 AromaticContact CE2-CD1 3.9Å; Y193-W208 HydrophobicContact CE2-CG 4.35Å; Y193-W208 HydrophobicContact CG-CB 4.38Å; Y193-W208 AromaticContact CZ-CD1 3.5Å; Y193-W208 AromaticContact CZ-CG 3.61Å; Y193-W208 PolarHBondContact N-O 3.18Å; Y193-W208 PolarHBondContact O-N 2.84Å |
| 194 | E | 98.7 | Very high | 98.1 | Very high | 65 Ų | 65 | 28 Ų | 28 | 30% | 0.304 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.3 | 173.7 | -59.1 | -56.4 | 153.8 | 0 | 0 | 111.1 | T207 R253 | E194-T207 PolarHBondContact OE1-OG1 3.5Å; E194-T207 PolarHBondContact OE2-OG1 2.89Å; E194-R253 WeakPolarHBondContact O-CD 3.15Å; E194-R253 PolarHBondContact O-NH1 3.38Å; E194-R253 VanDerWaalsContact O-NH1 3.14Å |
| 195 | G | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -156.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R27 S29 E204 S205 V206 | R27-G195 CarbonylContact O-C 3.55Å; R27-G195 WeakPolarHBondContact O-CA 3.41Å; S29-G195 VanDerWaalsContact OG-CA 3.29Å; S29-G195 WeakPolarHBondContact OG-CA 3.14Å; G195-E204 CarbonylContact O-C 3.46Å; G195-E204 WeakPolarHBondContact O-CA 3.46Å; G195-S205 PolarHBondContact O-N 2.79Å; G195-V206 CarbonylContact C-O 3.55Å; G195-V206 WeakPolarHBondContact CA-O 3.22Å; G195-V206 PolarHBondContact N-O 2.86Å; G195-V206 PolarHBondContact O-N 2.75Å |
| 196 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -127.1 | 171.2 | 178.8 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | R27 Q28 S29 L203 V206 W208 | R27-S196 PolarHBondContact O-N 3.31Å; Q28-S196 WeakPolarHBondContact CA-OG 3.42Å; Q28-S196 PolarHBondContact NE2-OG 3.3Å; S29-S196 WeakPolarHBondContact CB-O 3.47Å; S29-S196 PolarHBondContact N-OG 3Å; S29-S196 PolarHBondContact OG-N 2.72Å; S196-L203 CarbonylContact C-O 3.55Å; S196-L203 WeakPolarHBondContact CA-O 3.37Å; S196-L203 VanDerWaalsContact CB-O 3.24Å; S196-L203 WeakPolarHBondContact CB-O 3.32Å; S196-V206 VanDerWaalsContact C-CG2 3.42Å; S196-W208 PolarHBondContact O-NE1 3.37Å; S196-W208 VanDerWaalsContact O-NE1 3.07Å | ||
| 197 | L | 98.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 17% | 0.173 | 13% | 0.127 | C | C | . | . | trans | -56.7 | 143 | 153.5 | -63.1 | 174.6 | 0 | 0 | 0 | 109.1 | L140 T199 L203 V206 | L140-L197 HydrophobicContact CD1-CD2 3.77Å; L140-L197 HydrophobicContact CD1-CG 4.37Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-L203 HydrophobicContact CD1-CB 4.28Å; L197-L203 PolarHBondContact N-O 3.03Å; L197-V206 HydrophobicContact CD2-CG2 3.99Å; L197-V206 HydrophobicContact CG-CG2 4.26Å | ||
| 198 | T | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -90.3 | -3.4 | 177 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | W16 P30 E106 W208 R245 | W16-T198 WeakPolarHBondContact CZ3-O 3.42Å; P30-T198 HydrophobicContact CB-CG2 4.45Å; E106-T198 VanDerWaalsContact CD-CB 3.49Å; E106-T198 WeakPolarHBondContact OE1-CB 3.2Å; E106-T198 PolarHBondContact OE1-OG1 2.99Å; E106-T198 WeakPolarHBondContact OE2-CB 3.28Å; E106-T198 WeakPolarHBondContact OE2-CG2 3.45Å; E106-T198 PolarHBondContact OE2-OG1 3.1Å; T198-W208 HydrophobicContact CG2-CH2 4.34Å; T198-W208 HydrophobicContact CG2-CZ2 3.81Å; T198-R245 WeakPolarHBondContact O-CD 3.28Å |
| 199 | T | 97.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 17.9 Ų | 17.9 | 20% | 0.202 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -120.6 | 151.6 | 173.7 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | W5 Y7 L197 L202 | W5-T199 HydrophobicContact CH2-CG2 3.66Å; W5-T199 HydrophobicContact CZ3-CG2 4.13Å; Y7-T199 WeakPolarHBondContact OH-CG2 3.48Å; L197-T199 VanDerWaalsContact C-N 3.33Å; T199-L202 WeakPolarHBondContact O-CA 3.01Å; T199-L202 WeakPolarHBondContact O-CD2 3.34Å; T199-L202 PolarHBondContact O-N 3.04Å |
| 200 | P | 97.2 | Very high | 98.5 | Very high | 13 Ų | 13 | 15.4 Ų | 15.4 | 8% | 0.084 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 131.3 | 170.8 | -31.5 | 39.6 | 0 | 0 | 0 | 113 | W5 W16 F20 L202 | W5-P200 HydrophobicContact CB-CG 4.06Å; W5-P200 HydrophobicContact CD2-CB 4Å; W5-P200 HydrophobicContact CD2-CG 3.55Å; W5-P200 HydrophobicContact CE3-CG 3.92Å; W5-P200 HydrophobicContact CG-CB 3.9Å; W5-P200 HydrophobicContact CG-CG 3.6Å; W16-P200 HydrophobicContact CB-CG 4.5Å; W16-P200 HydrophobicContact CD2-CG 3.69Å; W16-P200 HydrophobicContact CE3-CG 3.96Å; W16-P200 HydrophobicContact CG-CG 3.97Å; W16-P200 HydrophobicContact CZ3-CG 4.45Å; F20-P200 HydrophobicContact CD1-CB 4.28Å; F20-P200 HydrophobicContact CD2-CB 3.79Å; F20-P200 HydrophobicContact CD2-CG 4.01Å; F20-P200 HydrophobicContact CE1-CB 4.03Å; F20-P200 HydrophobicContact CE2-CB 3.53Å; F20-P200 HydrophobicContact CE2-CG 3.98Å; F20-P200 HydrophobicContact CG-CB 4.16Å; F20-P200 HydrophobicContact CZ-CB 3.65Å; P200-L202 HydrophobicContact CG-CG 4.39Å |
| 201 | P | 96.9 | Very high | 98.5 | Very high | 62 Ų | 62 | 15.3 Ų | 15.3 | 40% | 0.403 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.8 | 14.3 | 18.7 | 31.3 | -30.6 | 0 | 0 | 0 | 116.9 | F20 I22 L203 | F20-P201 HydrophobicContact CD1-CB 4.03Å; F20-P201 HydrophobicContact CE1-CB 4.12Å; I22-P201 VanDerWaalsContact CG2-O 3.22Å; I22-P201 WeakPolarHBondContact CG2-O 3.29Å; P201-L203 VanDerWaalsContact C-N 3.25Å; P201-L203 HydrophobicContact CB-CG 4.42Å; P201-L203 HydrophobicContact CG-CD1 4.04Å; P201-L203 HydrophobicContact CG-CG 3.96Å; P201-L203 PolarHBondContact O-N 3.2Å |
| 202 | L | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | 59.6 | 30.6 | 171.5 | -53.9 | 168.9 | 0 | 0 | 0 | 114.4 | W16 F20 I22 A23 Q28 T199 P200 E204 | W16-L202 HydrophobicContact CB-CD1 4.24Å; W16-L202 HydrophobicContact CE3-CD1 3.95Å; W16-L202 HydrophobicContact CE3-CD2 3.89Å; W16-L202 HydrophobicContact CE3-CG 4.4Å; W16-L202 HydrophobicContact CZ3-CD2 3.92Å; F20-L202 HydrophobicContact CB-CD1 4.37Å; I22-L202 HydrophobicContact CG2-CB 3.97Å; A23-L202 HydrophobicContact CB-CD1 3.35Å; Q28-L202 PolarHBondContact NE2-O 3.03Å; T199-L202 WeakPolarHBondContact O-CA 3.01Å; T199-L202 WeakPolarHBondContact O-CD2 3.34Å; T199-L202 PolarHBondContact O-N 3.04Å; P200-L202 HydrophobicContact CG-CG 4.39Å; L202-E204 PolarHBondContact O-N 3.37Å | ||
| 203 | L | 98.1 | Very high | 98.5 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 29% | 0.293 | 12% | 0.116 | S | C | . | . | trans | -60.2 | 131.4 | -177.7 | -62.8 | 172.2 | 0 | 0 | 0 | 110.8 | A134 S196 L197 P201 S205 | A134-L203 HydrophobicContact CB-CD1 4.44Å; A134-L203 VanDerWaalsContact O-CD1 3.26Å; A134-L203 WeakPolarHBondContact O-CD1 3.48Å; S196-L203 CarbonylContact C-O 3.55Å; S196-L203 WeakPolarHBondContact CA-O 3.37Å; S196-L203 VanDerWaalsContact CB-O 3.24Å; S196-L203 WeakPolarHBondContact CB-O 3.32Å; L197-L203 HydrophobicContact CD1-CB 4.28Å; L197-L203 PolarHBondContact N-O 3.03Å; P201-L203 VanDerWaalsContact C-N 3.25Å; P201-L203 HydrophobicContact CB-CG 4.42Å; P201-L203 HydrophobicContact CG-CD1 4.04Å; P201-L203 HydrophobicContact CG-CG 3.96Å; P201-L203 PolarHBondContact O-N 3.2Å; L203-S205 PolarHBondContact O-N 2.77Å; L203-S205 PolarHBondContact O-OG 3.33Å | ||
| 204 | E | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 12% | 0.121 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -81.1 | 61.8 | 177.3 | -62.8 | -171.7 | 165.6 | 0 | 0 | 111.8 | I22 G25 P26 R27 G195 L202 | I22-E204 HydrophobicContact CD1-CG 4.07Å; I22-E204 HydrophobicContact CG1-CG 4.21Å; G25-E204 VanDerWaalsContact CA-OE1 3.23Å; G25-E204 WeakPolarHBondContact CA-OE1 3.48Å; P26-E204 WeakPolarHBondContact CD-OE1 3.42Å; R27-E204 WeakPolarHBondContact CA-OE1 3.41Å; R27-E204 HydrophobicContact CB-CB 4.42Å; R27-E204 HydrophobicContact CB-CG 4.21Å; R27-E204 PolarHBondContact N-OE1 3.38Å; R27-E204 IonicContact NE-OE2 3.98Å; R27-E204 PolarHBondContact NE-OE2 3.45Å; R27-E204 PolarHBondContact NH2-O 3.46Å; R27-E204 IonicContact NH2-OE2 3.02Å; G195-E204 CarbonylContact O-C 3.46Å; G195-E204 WeakPolarHBondContact O-CA 3.46Å; L202-E204 PolarHBondContact O-N 3.37Å |
| 205 | S | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | trans | -122 | 9.1 | -171.9 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | A134 Q136 G139 L140 G195 L203 | A134-S205 WeakPolarHBondContact O-CB 3.4Å; A134-S205 PolarHBondContact O-OG 3.4Å; Q136-S205 VanDerWaalsContact O-CA 3.23Å; Q136-S205 WeakPolarHBondContact O-CA 3.47Å; Q136-S205 WeakPolarHBondContact O-CB 3.28Å; G139-S205 PolarHBondContact N-O 2.94Å; L140-S205 WeakPolarHBondContact CB-O 3.48Å; L140-S205 PolarHBondContact N-O 2.85Å; G195-S205 PolarHBondContact O-N 2.79Å; L203-S205 PolarHBondContact O-N 2.77Å; L203-S205 PolarHBondContact O-OG 3.33Å | ||
| 206 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.1 | -167.8 | -177 | 0 | 0 | 0 | 0 | 111.7 | L140 V142 G195 S196 L197 W208 | L140-V206 HydrophobicContact CB-CG2 4.09Å; L140-V206 HydrophobicContact CD1-CG2 4.15Å; L140-V206 WeakPolarHBondContact O-CA 3.43Å; V142-V206 HydrophobicContact CB-CG1 3.88Å; V142-V206 HydrophobicContact CG2-CG1 3.54Å; G195-V206 CarbonylContact C-O 3.55Å; G195-V206 WeakPolarHBondContact CA-O 3.22Å; G195-V206 PolarHBondContact N-O 2.86Å; G195-V206 PolarHBondContact O-N 2.75Å; S196-V206 VanDerWaalsContact C-CG2 3.42Å; L197-V206 HydrophobicContact CD2-CG2 3.99Å; L197-V206 HydrophobicContact CG-CG2 4.26Å; V206-W208 HydrophobicContact CG1-CD2 4.14Å; V206-W208 HydrophobicContact CG1-CG 4.02Å; V206-W208 HydrophobicContact CG1-CZ2 4.36Å; V206-W208 PolarHBondContact O-N 2.84Å |
| 207 | T | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 5% | 0.049 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 109 | 158.5 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | P83 V84 L140 A141 V142 E194 | P83-T207 HydrophobicContact CB-CG2 4.18Å; P83-T207 HydrophobicContact CG-CG2 3.99Å; V84-T207 HydrophobicContact CG1-CG2 4.39Å; L140-T207 PolarHBondContact O-N 2.99Å; A141-T207 WeakPolarHBondContact CA-O 3.09Å; V142-T207 PolarHBondContact N-O 2.93Å; V142-T207 VanDerWaalsContact N-O 3.1Å; E194-T207 PolarHBondContact OE1-OG1 3.5Å; E194-T207 PolarHBondContact OE2-OG1 2.89Å |
| 208 | W | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.1 | 178.9 | -82 | 91.1 | 0 | 0 | 0 | 111.5 | S29 H107 H119 V142 T192 Y193 S196 T198 V206 V210 | S29-W208 PolarHBondContact OG-NE1 3.26Å; H107-W208 AromaticContact CE1-CD2 3.69Å; H107-W208 AromaticContact CE1-CE2 3.97Å; H107-W208 AromaticContact CE1-CE3 3.45Å; H107-W208 VanDerWaalsContact CE1-CE3 3.45Å; H107-W208 AromaticContact CE1-CH2 3.9Å; H107-W208 AromaticContact CE1-CZ3 3.55Å; H119-W208 AromaticContact CD2-CH2 3.73Å; H119-W208 AromaticContact CD2-CZ3 3.65Å; H119-W208 AromaticContact CE1-CH2 3.37Å; H119-W208 WeakPolarHBondContact CE1-CH2 3.41Å; H119-W208 AromaticContact CG-CH2 3.88Å; H119-W208 AromaticContact ND1-CH2 3.64Å; H119-W208 AromaticContact NE2-CH2 3.41Å; H119-W208 WeakPolarHBondContact NE2-CH2 3.17Å; H119-W208 AromaticContact NE2-CZ3 3.56Å; V142-W208 HydrophobicContact CB-CD2 4.39Å; V142-W208 HydrophobicContact CB-CE3 4.06Å; V142-W208 HydrophobicContact CB-CH2 4.05Å; V142-W208 HydrophobicContact CB-CZ2 4.4Å; V142-W208 HydrophobicContact CB-CZ3 3.9Å; V142-W208 HydrophobicContact CG1-CE3 4.02Å; V142-W208 HydrophobicContact CG1-CH2 3.56Å; V142-W208 HydrophobicContact CG1-CZ2 4.35Å; V142-W208 HydrophobicContact CG1-CZ3 3.39Å; T192-W208 WeakPolarHBondContact CA-O 3.32Å; T192-W208 VanDerWaalsContact CB-O 3.22Å; T192-W208 WeakPolarHBondContact CB-O 3.3Å; T192-W208 PolarHBondContact OG1-O 3.4Å; Y193-W208 HydrophobicContact CD1-CB 3.67Å; Y193-W208 HydrophobicContact CD1-CG 4.36Å; Y193-W208 HydrophobicContact CE1-CB 3.36Å; Y193-W208 AromaticContact CE1-CD1 3.99Å; Y193-W208 HydrophobicContact CE1-CD2 4.45Å; Y193-W208 AromaticContact CE1-CG 3.62Å; Y193-W208 HydrophobicContact CE1-CG 3.62Å; Y193-W208 AromaticContact CE2-CD1 3.9Å; Y193-W208 HydrophobicContact CE2-CG 4.35Å; Y193-W208 HydrophobicContact CG-CB 4.38Å; Y193-W208 AromaticContact CZ-CD1 3.5Å; Y193-W208 AromaticContact CZ-CG 3.61Å; Y193-W208 PolarHBondContact N-O 3.18Å; Y193-W208 PolarHBondContact O-N 2.84Å; S196-W208 PolarHBondContact O-NE1 3.37Å; S196-W208 VanDerWaalsContact O-NE1 3.07Å; T198-W208 HydrophobicContact CG2-CH2 4.34Å; T198-W208 HydrophobicContact CG2-CZ2 3.81Å; V206-W208 HydrophobicContact CG1-CD2 4.14Å; V206-W208 HydrophobicContact CG1-CG 4.02Å; V206-W208 HydrophobicContact CG1-CZ2 4.36Å; V206-W208 PolarHBondContact O-N 2.84Å; W208-V210 HydrophobicContact CB-CG2 4.5Å; W208-V210 HydrophobicContact CE3-CG2 4.1Å |
| 209 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 94.9 | 173 | -63.7 | 158.9 | 0 | 0 | 0 | 106.2 | L47 L79 P83 V142 V143 G144 Y190 W191 | L47-I209 HydrophobicContact CD1-CG2 3.52Å; L47-I209 HydrophobicContact CD2-CD1 3.91Å; L47-I209 HydrophobicContact CD2-CG1 4.43Å; L47-I209 HydrophobicContact CD2-CG2 3.81Å; L47-I209 HydrophobicContact CG-CG2 4.27Å; L79-I209 HydrophobicContact CD1-CD1 4.46Å; L79-I209 HydrophobicContact CD2-CD1 3.73Å; P83-I209 HydrophobicContact CG-CD1 3.84Å; P83-I209 HydrophobicContact CG-CG1 3.53Å; V142-I209 PolarHBondContact O-N 3.05Å; V143-I209 CarbonylContact C-O 3.48Å; V143-I209 VanDerWaalsContact CA-O 3.28Å; V143-I209 WeakPolarHBondContact CA-O 3.23Å; V143-I209 HydrophobicContact CG2-CB 4.3Å; V143-I209 HydrophobicContact CG2-CD1 4.35Å; V143-I209 HydrophobicContact CG2-CG2 4.33Å; G144-I209 PolarHBondContact N-O 3.22Å; Y190-I209 HydrophobicContact CD1-CG2 4.46Å; Y190-I209 HydrophobicContact CD2-CG2 3.9Å; Y190-I209 HydrophobicContact CG-CG2 3.82Å; W191-I209 CarbonylContact O-C 3.51Å; W191-I209 WeakPolarHBondContact O-CA 2.88Å |
| 210 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 111.9 | -176.8 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | I33 F146 Y190 W191 W208 | I33-V210 HydrophobicContact CD1-CB 4Å; I33-V210 HydrophobicContact CD1-CG1 3.98Å; I33-V210 HydrophobicContact CD1-CG2 4.16Å; F146-V210 HydrophobicContact CD2-CG1 4.41Å; F146-V210 HydrophobicContact CE2-CG1 3.57Å; F146-V210 HydrophobicContact CZ-CG1 3.78Å; Y190-V210 CarbonylContact C-O 3.56Å; Y190-V210 VanDerWaalsContact CA-O 3.3Å; Y190-V210 WeakPolarHBondContact CA-O 3.46Å; W191-V210 PolarHBondContact N-O 3.38Å; W191-V210 PolarHBondContact O-N 2.83Å; W208-V210 HydrophobicContact CB-CG2 4.5Å; W208-V210 HydrophobicContact CE3-CG2 4.1Å |
| 211 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 135.2 | 178.1 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | G144 V145 P185 | G144-C211 PolarHBondContact O-N 2.8Å; V145-C211 HydrophobicContact CG2-CB 4.32Å; P185-C211 HydrophobicContact CG-CB 3.96Å |
| 212 | K | 98.5 | Very high | 98.7 | Very high | 84 Ų | 84 | 24.5 Ų | 24.5 | 37% | 0.365 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -68.7 | -42.6 | 178.2 | -179.2 | -168.3 | -174.9 | 171.8 | 0 | 111.8 | D189 W191 F259 | D189-K212 HydrophobicContact CB-CB 4.15Å; D189-K212 HydrophobicContact CB-CD 4.15Å; D189-K212 WeakPolarHBondContact O-CB 3.35Å; D189-K212 PolarHBondContact O-N 2.84Å; W191-K212 HydrophobicContact CH2-CB 4.15Å; W191-K212 HydrophobicContact CH2-CG 3.82Å; W191-K212 HydrophobicContact CZ2-CG 4.31Å; W191-K212 HydrophobicContact CZ3-CB 4.04Å; W191-K212 HydrophobicContact CZ3-CG 4.22Å; K212-F259 HydrophobicContact CB-CE1 4.01Å; K212-F259 HydrophobicContact CB-CZ 4.25Å; K212-F259 HydrophobicContact CD-CD1 4.18Å; K212-F259 HydrophobicContact CD-CD2 4.14Å; K212-F259 HydrophobicContact CD-CE1 3.78Å; K212-F259 HydrophobicContact CD-CE2 3.75Å; K212-F259 HydrophobicContact CD-CG 4.33Å; K212-F259 HydrophobicContact CD-CZ 3.53Å; K212-F259 HydrophobicContact CG-CE1 4.2Å; K212-F259 HydrophobicContact CG-CZ 3.96Å; K212-F259 VanDerWaalsContact NZ-CD2 3.33Å |
| 213 | E | 98.6 | Very high | 98.7 | Very high | 81 Ų | 81 | 27.1 Ų | 27.1 | 38% | 0.379 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -85.7 | 125.8 | -178.1 | -177.1 | 173.5 | -162.8 | 0 | 0 | 110.5 | P185 C187 | P185-E213 HydrophobicContact CB-CB 3.77Å; P185-E213 HydrophobicContact CB-CG 3.81Å; P185-E213 WeakPolarHBondContact CB-O 3.44Å; P185-E213 HydrophobicContact CG-CB 4.32Å; P185-E213 WeakPolarHBondContact CG-O 3.18Å; C187-E213 WeakPolarHBondContact CB-OE2 3.4Å; C187-E213 PolarHBondContact N-OE2 2.95Å |
| 214 | P | 98.7 | Very high | 98.8 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 151.1 | 172 | 32.6 | -35.7 | 0 | 0 | 0 | 111.6 | Y114 F146 K148 | Y114-P214 HydrophobicContact CD1-CB 4.38Å; Y114-P214 HydrophobicContact CE1-CB 4Å; Y114-P214 HydrophobicContact CE1-CG 4.06Å; F146-P214 HydrophobicContact CB-CB 3.83Å; F146-P214 CarbonylContact O-C 3.58Å; F146-P214 WeakPolarHBondContact O-CA 3.34Å; F146-P214 WeakPolarHBondContact O-CB 3.44Å; K148-P214 HydrophobicContact CB-CB 4.24Å; K148-P214 HydrophobicContact CB-CG 4.36Å; K148-P214 HydrophobicContact CD-CB 4.23Å; K148-P214 HydrophobicContact CD-CG 3.58Å; K148-P214 HydrophobicContact CG-CB 4.03Å; K148-P214 HydrophobicContact CG-CG 3.95Å |
| 215 | I | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 154.7 | 166 | 65.1 | 174.9 | 0 | 0 | 0 | 110.7 | V145 F146 L147 K148 P185 | V145-I215 HydrophobicContact CG1-CB 4.5Å; V145-I215 HydrophobicContact CG1-CD1 4.41Å; V145-I215 HydrophobicContact CG1-CG1 4.12Å; V145-I215 HydrophobicContact CG1-CG2 3.86Å; F146-I215 PolarHBondContact O-N 2.83Å; L147-I215 CarbonylContact C-O 3.59Å; L147-I215 WeakPolarHBondContact CA-O 3.26Å; L147-I215 HydrophobicContact CG-CD1 4.1Å; L147-I215 HydrophobicContact CG-CG1 3.9Å; K148-I215 PolarHBondContact N-O 2.97Å; P185-I215 HydrophobicContact CB-CG2 4.22Å |
| 216 | S | 98.5 | Very high | 98.8 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 154.4 | 174 | -162.4 | 0 | 0 | 0 | 0 | 111.1 | K148 G150 E151 N153 | K148-S216 CarbonylContact O-C 3.53Å; K148-S216 WeakPolarHBondContact O-CA 3.33Å; G150-S216 WeakPolarHBondContact CA-OG 3.4Å; E151-S216 PolarHBondContact N-OG 3.43Å; E151-S216 PolarHBondContact O-OG 3.08Å; N153-S216 WeakPolarHBondContact CB-O 3.23Å; N153-S216 PolarHBondContact ND2-O 2.93Å |
| 217 | V | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 142.8 | 166.8 | 63.4 | 0 | 0 | 0 | 0 | 108.4 | L147 K148 I149 G150 E151 L156 Q221 M222 | L147-V217 HydrophobicContact CB-CB 4.49Å; L147-V217 HydrophobicContact CB-CG1 3.83Å; L147-V217 HydrophobicContact CD2-CB 4.08Å; L147-V217 HydrophobicContact CD2-CG1 4.11Å; L147-V217 HydrophobicContact CD2-CG2 4.32Å; K148-V217 PolarHBondContact O-N 2.84Å; I149-V217 WeakPolarHBondContact CA-O 3.13Å; I149-V217 HydrophobicContact CD1-CG1 4.29Å; G150-V217 PolarHBondContact N-O 3.21Å; E151-V217 CarbonylContact O-C 3.52Å; L156-V217 HydrophobicContact CD1-CB 4.02Å; L156-V217 HydrophobicContact CD1-CG2 3.71Å; V217-Q221 HydrophobicContact CG2-CB 3.63Å; V217-M222 HydrophobicContact CG1-CG 3.8Å; V217-M222 HydrophobicContact CG1-SD 3.9Å; V217-M222 HydrophobicContact CG2-CG 3.97Å; V217-M222 HydrophobicContact CG2-SD 4Å |
| 218 | S | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | trans | -80.3 | 157.8 | 174.7 | 65.2 | 0 | 0 | 0 | 0 | 111.8 | E220 Q221 M222 | S218-E220 WeakPolarHBondContact CB-OE2 3.38Å; S218-E220 PolarHBondContact O-N 3.01Å; S218-Q221 PolarHBondContact O-N 3.11Å; S218-Q221 WeakPolarHBondContact OG-CG 3.32Å; S218-Q221 PolarHBondContact OG-N 2.64Å; S218-Q221 VanDerWaalsContact OG-N 3.16Å; S218-M222 PolarHBondContact O-N 2.81Å | ||
| 219 | S | 98.8 | Very high | 98.7 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.8 | -32.7 | 173.1 | -66 | 0 | 0 | 0 | 0 | 111.9 | D101 M222 A223 | D101-S219 WeakPolarHBondContact OD2-CB 3.42Å; D101-S219 PolarHBondContact OD2-OG 2.94Å; S219-M222 PolarHBondContact O-N 3.33Å; S219-A223 WeakPolarHBondContact O-CB 3.15Å; S219-A223 PolarHBondContact O-N 2.96Å |
| 220 | E | 98.8 | Very high | 98.7 | Very high | 137 Ų | 137 | 32.6 Ų | 32.6 | 64% | 0.64 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -66.6 | -42.9 | 175.7 | -66.9 | 72.1 | -159.9 | 0 | 0 | 111.9 | S218 A223 K224 | S218-E220 WeakPolarHBondContact CB-OE2 3.38Å; S218-E220 PolarHBondContact O-N 3.01Å; E220-A223 WeakPolarHBondContact O-CB 3.46Å; E220-A223 PolarHBondContact O-N 2.92Å; E220-K224 PolarHBondContact O-N 2.87Å |
| 221 | Q | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 173 | -75.1 | 178.8 | -40.3 | 0 | 0 | 110.2 | E152 N153 V160 V217 S218 A223 K224 F225 | E152-Q221 HydrophobicContact CG-CG 4.35Å; N153-Q221 PolarHBondContact O-NE2 3.27Å; V160-Q221 HydrophobicContact CG2-CG 4.38Å; V217-Q221 HydrophobicContact CG2-CB 3.63Å; S218-Q221 PolarHBondContact O-N 3.11Å; S218-Q221 WeakPolarHBondContact OG-CG 3.32Å; S218-Q221 PolarHBondContact OG-N 2.64Å; S218-Q221 VanDerWaalsContact OG-N 3.16Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.47Å; Q221-K224 WeakPolarHBondContact O-CA 3.19Å; Q221-K224 VanDerWaalsContact O-CB 3.32Å; Q221-K224 WeakPolarHBondContact O-CB 3.24Å; Q221-K224 PolarHBondContact O-N 2.94Å; Q221-F225 VanDerWaalsContact O-CD2 3.28Å; Q221-F225 WeakPolarHBondContact O-CD2 3.3Å; Q221-F225 PolarHBondContact O-N 3.28Å |
| 222 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 175.6 | -74.1 | -53.7 | -51.7 | 0 | 0 | 113.1 | W97 P115 A116 I149 V217 S218 S219 K224 F225 R226 | W97-M222 HydrophobicContact CB-CE 3.79Å; P115-M222 HydrophobicContact CB-CE 4.23Å; P115-M222 HydrophobicContact CB-CG 4.41Å; P115-M222 HydrophobicContact CB-SD 4.4Å; A116-M222 HydrophobicContact CB-CE 3.9Å; A116-M222 HydrophobicContact CB-SD 4.09Å; I149-M222 HydrophobicContact CD1-CG 3.91Å; V217-M222 HydrophobicContact CG1-CG 3.8Å; V217-M222 HydrophobicContact CG1-SD 3.9Å; V217-M222 HydrophobicContact CG2-CG 3.97Å; V217-M222 HydrophobicContact CG2-SD 4Å; S218-M222 PolarHBondContact O-N 2.81Å; S219-M222 PolarHBondContact O-N 3.33Å; M222-K224 PolarHBondContact O-N 2.98Å; M222-F225 HydrophobicContact CE-CB 4.46Å; M222-F225 WeakPolarHBondContact O-CB 3.38Å; M222-F225 PolarHBondContact O-N 3.02Å; M222-R226 WeakPolarHBondContact O-CG 3.18Å; M222-R226 PolarHBondContact O-N 2.76Å; M222-R226 VanDerWaalsContact O-N 3.15Å |
| 223 | A | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 38 Ų | 38 | 45% | 0.446 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -32.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S219 E220 Q221 R226 S227 | S219-A223 WeakPolarHBondContact O-CB 3.15Å; S219-A223 PolarHBondContact O-N 2.96Å; E220-A223 WeakPolarHBondContact O-CB 3.46Å; E220-A223 PolarHBondContact O-N 2.92Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.47Å; A223-R226 PolarHBondContact O-N 2.95Å; A223-S227 PolarHBondContact O-N 3.27Å |
| 224 | K | 98.8 | Very high | 98.1 | Very high | 90 Ų | 90 | 38.2 Ų | 38.2 | 39% | 0.391 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.9 | -41.4 | 173.5 | -68.9 | -71.5 | -169.6 | 169 | 0 | 112.2 | V160 F163 E220 Q221 M222 R226 S227 | V160-K224 HydrophobicContact CG1-CB 3.75Å; V160-K224 HydrophobicContact CG1-CD 4.44Å; V160-K224 HydrophobicContact CG1-CG 3.7Å; F163-K224 HydrophobicContact CD2-CB 3.98Å; F163-K224 WeakPolarHBondContact CD2-O 3.38Å; F163-K224 HydrophobicContact CE2-CB 4.35Å; E220-K224 PolarHBondContact O-N 2.87Å; Q221-K224 WeakPolarHBondContact O-CA 3.19Å; Q221-K224 VanDerWaalsContact O-CB 3.32Å; Q221-K224 WeakPolarHBondContact O-CB 3.24Å; Q221-K224 PolarHBondContact O-N 2.94Å; M222-K224 PolarHBondContact O-N 2.98Å; K224-R226 VanDerWaalsContact C-N 3.28Å; K224-R226 PolarHBondContact O-N 2.98Å; K224-S227 WeakPolarHBondContact O-CB 3.36Å; K224-S227 PolarHBondContact O-N 3.42Å; K224-S227 PolarHBondContact O-OG 2.84Å |
| 225 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -46.3 | 174 | -79.2 | -120.8 | 0 | 0 | 0 | 110.7 | F66 F95 W97 V160 F163 Q221 M222 S227 L228 | F66-F225 AromaticContact CE1-CD1 3.79Å; F66-F225 HydrophobicContact CE1-CD1 3.79Å; F66-F225 AromaticContact CE1-CE1 3.57Å; F66-F225 HydrophobicContact CE1-CE1 3.57Å; F66-F225 HydrophobicContact CE1-CZ 4.25Å; F66-F225 HydrophobicContact CZ-CD1 4.4Å; F66-F225 AromaticContact CZ-CE1 3.72Å; F66-F225 HydrophobicContact CZ-CE1 3.72Å; F66-F225 HydrophobicContact CZ-CZ 4.09Å; F95-F225 HydrophobicContact CB-CE1 4.05Å; F95-F225 AromaticContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CE1 3.84Å; F95-F225 HydrophobicContact CD1-CZ 4.43Å; F95-F225 HydrophobicContact CD2-CE1 4.16Å; F95-F225 HydrophobicContact CE1-CE1 4.24Å; F95-F225 HydrophobicContact CE1-CZ 4.38Å; F95-F225 AromaticContact CG-CE1 3.78Å; F95-F225 HydrophobicContact CG-CE1 3.78Å; W97-F225 HydrophobicContact CD2-CB 4.22Å; W97-F225 HydrophobicContact CD2-CD1 4.11Å; W97-F225 AromaticContact CE3-CD1 3.91Å; W97-F225 HydrophobicContact CE3-CD1 3.91Å; W97-F225 HydrophobicContact CG-CB 4.28Å; W97-F225 HydrophobicContact CZ3-CD1 4.3Å; V160-F225 HydrophobicContact CG2-CE2 4.01Å; F163-F225 HydrophobicContact CE2-CB 4.29Å; F163-F225 HydrophobicContact CE2-CD1 4.47Å; F163-F225 AromaticContact CE2-CD2 3.44Å; F163-F225 HydrophobicContact CE2-CD2 3.44Å; F163-F225 VanDerWaalsContact CE2-CD2 3.44Å; F163-F225 AromaticContact CE2-CE2 3.79Å; F163-F225 HydrophobicContact CE2-CE2 3.79Å; F163-F225 AromaticContact CE2-CG 3.82Å; F163-F225 HydrophobicContact CE2-CG 3.82Å; F163-F225 HydrophobicContact CE2-CZ 4.45Å; F163-F225 HydrophobicContact CZ-CD1 4.39Å; F163-F225 AromaticContact CZ-CD2 3.87Å; F163-F225 HydrophobicContact CZ-CD2 3.87Å; F163-F225 HydrophobicContact CZ-CE1 4.33Å; F163-F225 AromaticContact CZ-CE2 3.8Å; F163-F225 HydrophobicContact CZ-CE2 3.8Å; F163-F225 HydrophobicContact CZ-CG 4.16Å; F163-F225 HydrophobicContact CZ-CZ 4.04Å; Q221-F225 VanDerWaalsContact O-CD2 3.28Å; Q221-F225 WeakPolarHBondContact O-CD2 3.3Å; Q221-F225 PolarHBondContact O-N 3.28Å; M222-F225 HydrophobicContact CE-CB 4.46Å; M222-F225 WeakPolarHBondContact O-CB 3.38Å; M222-F225 PolarHBondContact O-N 3.02Å; F225-S227 PolarHBondContact O-N 2.8Å; F225-S227 VanDerWaalsContact O-N 3.13Å; F225-L228 PolarHBondContact O-N 3.38Å |
| 226 | R | 98.8 | Very high | 97.8 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -4.6 | 179.3 | -61 | 175.2 | -170.5 | 120.9 | 4.7 | 114.7 | G98 S99 S100 D101 M222 A223 K224 V241 | G98-R226 PolarHBondContact O-NE 3.39Å; S99-R226 WeakPolarHBondContact O-CD 3.48Å; S99-R226 PolarHBondContact O-NE 3Å; S100-R226 PolarHBondContact O-NH2 3.12Å; D101-R226 IonicContact OD1-CZ 3.64Å; D101-R226 IonicContact OD1-NH1 3.42Å; D101-R226 PolarHBondContact OD1-NH1 3.01Å; D101-R226 IonicContact OD1-NH2 3.19Å; D101-R226 PolarHBondContact OD1-NH2 2.89Å; M222-R226 WeakPolarHBondContact O-CG 3.18Å; M222-R226 PolarHBondContact O-N 2.76Å; M222-R226 VanDerWaalsContact O-N 3.15Å; A223-R226 PolarHBondContact O-N 2.95Å; K224-R226 VanDerWaalsContact C-N 3.28Å; K224-R226 PolarHBondContact O-N 2.98Å; R226-V241 HydrophobicContact CB-CG1 3.89Å; R226-V241 HydrophobicContact CG-CG1 3.98Å |
| 227 | S | 98.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 52 Ų | 52 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -13.9 | 178.5 | 79.3 | 0 | 0 | 0 | 0 | 114 | A223 K224 F225 | A223-S227 PolarHBondContact O-N 3.27Å; K224-S227 WeakPolarHBondContact O-CB 3.36Å; K224-S227 PolarHBondContact O-N 3.42Å; K224-S227 PolarHBondContact O-OG 2.84Å; F225-S227 PolarHBondContact O-N 2.8Å; F225-S227 VanDerWaalsContact O-N 3.13Å |
| 228 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -64 | 157.4 | 168.9 | -64.3 | 176 | 0 | 0 | 0 | 110.1 | F66 W97 F163 I166 F225 M240 | F66-L228 HydrophobicContact CB-CD1 4.21Å; F66-L228 HydrophobicContact CD1-CD1 3.6Å; F66-L228 HydrophobicContact CE1-CD1 4.43Å; F66-L228 HydrophobicContact CG-CD1 4.31Å; W97-L228 HydrophobicContact CH2-CD1 4.12Å; W97-L228 HydrophobicContact CZ2-CD1 4.21Å; F163-L228 HydrophobicContact CB-CD2 3.93Å; F163-L228 HydrophobicContact CD1-CD1 4.46Å; F163-L228 HydrophobicContact CD1-CD2 4.48Å; F163-L228 HydrophobicContact CD2-CD1 4.42Å; F163-L228 HydrophobicContact CD2-CG 4.36Å; F163-L228 HydrophobicContact CE1-CD1 4.48Å; F163-L228 HydrophobicContact CE2-CD1 4.47Å; F163-L228 HydrophobicContact CG-CD1 4.43Å; F163-L228 HydrophobicContact CG-CD2 4.1Å; F163-L228 HydrophobicContact CG-CG 4.36Å; F163-L228 HydrophobicContact CZ-CD1 4.49Å; I166-L228 HydrophobicContact CD1-CD2 4.27Å; I166-L228 HydrophobicContact CG1-CD2 4.28Å; F225-L228 PolarHBondContact O-N 3.38Å; L228-M240 HydrophobicContact CB-CB 4.09Å; L228-M240 HydrophobicContact CB-SD 4.44Å; L228-M240 VanDerWaalsContact O-CB 3.31Å; L228-M240 WeakPolarHBondContact O-CB 3.48Å; L228-M240 PolarHBondContact O-N 2.99Å |
| 229 | L | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 138.5 | -177.3 | -54.8 | -179.1 | 0 | 0 | 0 | 111.2 | N61 K167 T168 E237 C238 M240 | N61-L229 PolarHBondContact ND2-O 2.86Å; N61-L229 VanDerWaalsContact ND2-O 3.09Å; K167-L229 HydrophobicContact CG-CD1 4.42Å; K167-L229 HydrophobicContact CG-CG 4.27Å; K167-L229 PolarHBondContact O-N 3.47Å; T168-L229 HydrophobicContact CG2-CD1 3.99Å; L229-E237 HydrophobicContact CD1-CB 4.22Å; L229-E237 HydrophobicContact CD1-CG 3.9Å; L229-E237 HydrophobicContact CD2-CB 4.43Å; L229-C238 CarbonylContact C-O 3.5Å; L229-C238 VanDerWaalsContact CA-O 3.26Å; L229-C238 WeakPolarHBondContact CA-O 3.4Å; L229-M240 WeakPolarHBondContact O-CE 3.16Å |
| 230 | F | 98 | Very high | 97.6 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.167 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -67.7 | -28 | 165 | -70.4 | -59.1 | 0 | 0 | 0 | 111.8 | Y7 G63 K169 C238 C239 M240 V241 N243 | Y7-F230 AromaticContact CD2-CE1 3.92Å; Y7-F230 HydrophobicContact CD2-CE1 3.92Å; Y7-F230 AromaticContact CD2-CZ 3.93Å; Y7-F230 HydrophobicContact CD2-CZ 3.93Å; Y7-F230 HydrophobicContact CE2-CE1 4.47Å; G63-F230 VanDerWaalsContact O-CD1 3.25Å; G63-F230 WeakPolarHBondContact O-CD1 3.44Å; K169-F230 WeakPolarHBondContact CB-O 3.37Å; F230-C238 HydrophobicContact CB-CB 4.43Å; F230-C238 PolarHBondContact N-O 2.63Å; F230-C239 VanDerWaalsContact CD2-O 3.29Å; F230-C239 WeakPolarHBondContact CD2-O 3.35Å; F230-C239 WeakPolarHBondContact CE2-O 3.47Å; F230-M240 HydrophobicContact CD1-CB 4.21Å; F230-M240 HydrophobicContact CD1-CE 3.91Å; F230-M240 HydrophobicContact CD1-CG 3.74Å; F230-M240 HydrophobicContact CD1-SD 4.48Å; F230-M240 HydrophobicContact CD2-CB 4.38Å; F230-M240 HydrophobicContact CE1-CB 4.32Å; F230-M240 HydrophobicContact CE1-CE 4.44Å; F230-M240 HydrophobicContact CE1-CG 3.53Å; F230-M240 HydrophobicContact CE1-SD 4.46Å; F230-M240 HydrophobicContact CE2-CB 4.46Å; F230-M240 HydrophobicContact CE2-CG 4.38Å; F230-M240 HydrophobicContact CG-CB 4.27Å; F230-M240 HydrophobicContact CG-CG 4.29Å; F230-M240 HydrophobicContact CZ-CB 4.44Å; F230-M240 HydrophobicContact CZ-CG 3.88Å; F230-V241 WeakPolarHBondContact CE2-O 3.44Å; F230-N243 HydrophobicContact CE1-CB 3.9Å; F230-N243 HydrophobicContact CZ-CB 3.77Å |
| 231 | S | 97.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -81.2 | 147.8 | -177.1 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | T168 K169 E235 A236 C238 | T168-S231 WeakPolarHBondContact CB-O 3.41Å; K169-S231 PolarHBondContact N-O 3.34Å; S231-E235 WeakPolarHBondContact CA-OE2 3.33Å; S231-A236 VanDerWaalsContact CB-O 3.24Å; S231-A236 WeakPolarHBondContact CB-O 3.12Å; S231-A236 PolarHBondContact OG-O 2.96Å; S231-C238 PolarHBondContact OG-N 2.62Å; S231-C238 VanDerWaalsContact OG-N 3.12Å |
| 232 | G | 96.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G234 E235 | G232-G234 PolarHBondContact O-N 2.9Å; G232-E235 PolarHBondContact N-OE2 2.83Å; G232-E235 WeakPolarHBondContact O-CB 3.15Å; G232-E235 PolarHBondContact O-N 2.83Å |
| 233 | E | 93.9 | Very high | 97.5 | Very high | 180 Ų | 180 | 53.6 Ų | 53.6 | 84% | 0.841 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 132.1 | 173.7 | -171.4 | 177.6 | -176.7 | 0 | 0 | 110.9 | E235 | E233-E235 VanDerWaalsContact C-N 3.26Å; E233-E235 PolarHBondContact O-N 2.9Å |
| 234 | G | 94.4 | Very high | 97.5 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 88% | 0.876 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -3.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G232 | G232-G234 PolarHBondContact O-N 2.9Š|
| 235 | E | 95.6 | Very high | 97.5 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -86.4 | 165.4 | 170.7 | -63.2 | -177.9 | 166.6 | 0 | 0 | 111.4 | S231 G232 E233 E237 | S231-E235 WeakPolarHBondContact CA-OE2 3.33Å; G232-E235 PolarHBondContact N-OE2 2.83Å; G232-E235 WeakPolarHBondContact O-CB 3.15Å; G232-E235 PolarHBondContact O-N 2.83Å; E233-E235 VanDerWaalsContact C-N 3.26Å; E233-E235 PolarHBondContact O-N 2.9Å; E235-E237 PolarHBondContact O-N 3.48Å |
| 236 | A | 96.3 | Very high | 97.5 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 74% | 0.744 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 126.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S231 C238 | S231-A236 VanDerWaalsContact CB-O 3.24Å; S231-A236 WeakPolarHBondContact CB-O 3.12Å; S231-A236 PolarHBondContact OG-O 2.96Å; A236-C238 PolarHBondContact O-N 3.02Å |
| 237 | E | 96.4 | Very high | 97.5 | Very high | 142 Ų | 142 | 52.5 Ų | 52.5 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 125.2 | -177 | -67.1 | -166.7 | 148.2 | 0 | 0 | 111.3 | K167 L229 E235 | K167-E237 IonicContact NZ-OE1 3.92Å; L229-E237 HydrophobicContact CD1-CB 4.22Å; L229-E237 HydrophobicContact CD1-CG 3.9Å; L229-E237 HydrophobicContact CD2-CB 4.43Å; E235-E237 PolarHBondContact O-N 3.48Å |
| 238 | C | 96.9 | Very high | 97.5 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 43% | 0.432 | 31% | 0.312 | S | S | . | . | trans | -129.5 | 102.7 | 174.5 | -175 | 0 | 0 | 0 | 0 | 108.4 | L229 F230 S231 A236 M240 | L229-C238 CarbonylContact C-O 3.5Å; L229-C238 VanDerWaalsContact CA-O 3.26Å; L229-C238 WeakPolarHBondContact CA-O 3.4Å; F230-C238 HydrophobicContact CB-CB 4.43Å; F230-C238 PolarHBondContact N-O 2.63Å; S231-C238 PolarHBondContact OG-N 2.62Å; S231-C238 VanDerWaalsContact OG-N 3.12Å; A236-C238 PolarHBondContact O-N 3.02Å; C238-M240 PolarHBondContact O-N 3.34Å | ||
| 239 | C | 97.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -56.8 | 133.6 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | F230 V241 | F230-C239 VanDerWaalsContact CD2-O 3.29Å; F230-C239 WeakPolarHBondContact CD2-O 3.35Å; F230-C239 WeakPolarHBondContact CE2-O 3.47Å; C239-V241 VanDerWaalsContact C-N 3.34Å; C239-V241 HydrophobicContact CB-CG1 4.31Å; C239-V241 PolarHBondContact O-N 3.02Å |
| 240 | M | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -74.2 | 91.1 | 173.5 | -169.8 | 174.3 | -64.2 | 0 | 0 | 107.8 | N61 S65 W97 L228 L229 F230 C238 | N61-M240 VanDerWaalsContact OD1-CE 3.26Å; N61-M240 WeakPolarHBondContact OD1-CE 3.49Å; S65-M240 WeakPolarHBondContact CA-SD 3.18Å; W97-M240 HydrophobicContact CH2-CG 4.03Å; W97-M240 HydrophobicContact CH2-SD 3.39Å; W97-M240 WeakPolarHBondContact CH2-SD 3.38Å; W97-M240 HydrophobicContact CZ2-CB 3.99Å; W97-M240 HydrophobicContact CZ2-CG 3.41Å; W97-M240 VanDerWaalsContact CZ2-CG 3.41Å; W97-M240 HydrophobicContact CZ2-SD 3.38Å; W97-M240 WeakPolarHBondContact CZ2-SD 3.38Å; W97-M240 PolarHBondContact NE1-O 3.11Å; L228-M240 HydrophobicContact CB-CB 4.09Å; L228-M240 HydrophobicContact CB-SD 4.44Å; L228-M240 VanDerWaalsContact O-CB 3.31Å; L228-M240 WeakPolarHBondContact O-CB 3.48Å; L228-M240 PolarHBondContact O-N 2.99Å; L229-M240 WeakPolarHBondContact O-CE 3.16Å; F230-M240 HydrophobicContact CD1-CB 4.21Å; F230-M240 HydrophobicContact CD1-CE 3.91Å; F230-M240 HydrophobicContact CD1-CG 3.74Å; F230-M240 HydrophobicContact CD1-SD 4.48Å; F230-M240 HydrophobicContact CD2-CB 4.38Å; F230-M240 HydrophobicContact CE1-CB 4.32Å; F230-M240 HydrophobicContact CE1-CE 4.44Å; F230-M240 HydrophobicContact CE1-CG 3.53Å; F230-M240 HydrophobicContact CE1-SD 4.46Å; F230-M240 HydrophobicContact CE2-CB 4.46Å; F230-M240 HydrophobicContact CE2-CG 4.38Å; F230-M240 HydrophobicContact CG-CB 4.27Å; F230-M240 HydrophobicContact CG-CG 4.29Å; F230-M240 HydrophobicContact CZ-CB 4.44Å; F230-M240 HydrophobicContact CZ-CG 3.88Å; C238-M240 PolarHBondContact O-N 3.34Å | ||
| 241 | V | 98.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 24% | 0.242 | 37% | 0.366 | C | S | . | . | trans | -135.9 | 155.6 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | R226 F230 C239 N243 | R226-V241 HydrophobicContact CB-CG1 3.89Å; R226-V241 HydrophobicContact CG-CG1 3.98Å; F230-V241 WeakPolarHBondContact CE2-O 3.44Å; C239-V241 VanDerWaalsContact C-N 3.34Å; C239-V241 HydrophobicContact CB-CG1 4.31Å; C239-V241 PolarHBondContact O-N 3.02Å; V241-N243 PolarHBondContact O-N 3.13Å | ||
| 242 | D | 98.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | trans | 56.1 | 38.1 | 179.9 | -56.4 | -41.7 | 0 | 0 | 0 | 112.7 | W97 G98 S99 H103 Y244 | W97-D242 WeakPolarHBondContact O-CA 3.34Å; W97-D242 PolarHBondContact O-N 2.8Å; W97-D242 VanDerWaalsContact O-N 3.15Å; G98-D242 WeakPolarHBondContact CA-OD1 3.43Å; S99-D242 WeakPolarHBondContact CB-OD2 3.14Å; S99-D242 PolarHBondContact N-OD1 3.19Å; S99-D242 PolarHBondContact OG-OD1 3.05Å; S99-D242 PolarHBondContact OG-OD2 3.19Å; H103-D242 IonicContact CD2-OD1 3.11Å; H103-D242 IonicContact NE2-OD1 3.72Å; H103-D242 PolarHBondContact NE2-OD1 3.02Å; H103-D242 VanDerWaalsContact NE2-OD1 3.11Å; D242-Y244 HydrophobicContact CB-CD1 4.37Å; D242-Y244 HydrophobicContact CB-CE1 3.91Å; D242-Y244 PolarHBondContact O-N 2.91Å; D242-Y244 WeakPolarHBondContact OD1-CE1 3.41Å | ||
| 243 | N | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -81 | 34.1 | 178.8 | 71.2 | -26.5 | 0 | 0 | 0 | 112.4 | Y7 H64 F95 H96 W97 F230 V241 | Y7-N243 HydrophobicContact CD2-CB 3.89Å; Y7-N243 WeakPolarHBondContact CE1-O 3.24Å; Y7-N243 HydrophobicContact CE2-CB 3.73Å; Y7-N243 HydrophobicContact CG-CB 4.49Å; Y7-N243 VanDerWaalsContact CZ-C 3.4Å; Y7-N243 PolarHBondContact OH-O 3.45Å; Y7-N243 VanDerWaalsContact OH-O 3.08Å; H64-N243 WeakPolarHBondContact O-CB 3.27Å; H64-N243 PolarHBondContact O-ND2 2.87Å; F95-N243 PolarHBondContact O-ND2 3.04Å; H96-N243 WeakPolarHBondContact CA-OD1 3.11Å; H96-N243 PolarHBondContact ND1-O 2.92Å; W97-N243 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N243 PolarHBondContact N-OD1 3.46Å; W97-N243 PolarHBondContact O-N 3.09Å; W97-N243 PolarHBondContact O-OD1 3.46Å; W97-N243 VanDerWaalsContact O-OD1 3.07Å; F230-N243 HydrophobicContact CE1-CB 3.9Å; F230-N243 HydrophobicContact CZ-CB 3.77Å; V241-N243 PolarHBondContact O-N 3.13Å | ||
| 244 | Y | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | trans | -119.6 | 143.6 | -175.9 | 68.1 | -94 | 0 | 0 | 0 | 111.2 | H103 G104 D242 | H103-Y244 AromaticContact CD2-CE1 3.74Å; H103-Y244 AromaticContact CD2-CZ 3.84Å; H103-Y244 PolarHBondContact CD2-OH 2.78Å; H103-Y244 VanDerWaalsContact CD2-OH 3.24Å; G104-Y244 WeakPolarHBondContact O-CB 3.33Å; D242-Y244 HydrophobicContact CB-CD1 4.37Å; D242-Y244 HydrophobicContact CB-CE1 3.91Å; D242-Y244 PolarHBondContact O-N 2.91Å; D242-Y244 WeakPolarHBondContact OD1-CE1 3.41Å | ||
| 245 | R | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 138.3 | 174.3 | -163.6 | -168.6 | -170.7 | -171.7 | 1.5 | 110.4 | P13 W16 A23 S29 P30 E106 T198 | P13-R245 HydrophobicContact CB-CG 4.05Å; P13-R245 HydrophobicContact CG-CG 4.27Å; W16-R245 HydrophobicContact CH2-CB 4.38Å; W16-R245 HydrophobicContact CH2-CG 4.32Å; W16-R245 HydrophobicContact CZ3-CB 4.21Å; W16-R245 HydrophobicContact CZ3-CG 3.74Å; A23-R245 PolarHBondContact O-NH2 2.83Å; A23-R245 VanDerWaalsContact O-NH2 3.07Å; S29-R245 WeakPolarHBondContact O-CD 2.98Å; S29-R245 PolarHBondContact O-NH1 3.42Å; P30-R245 VanDerWaalsContact CG-O 3.31Å; P30-R245 WeakPolarHBondContact CG-O 3.21Å; E106-R245 WeakPolarHBondContact OE1-CA 3.03Å; E106-R245 WeakPolarHBondContact OE1-CB 3.29Å; E106-R245 PolarHBondContact OE1-N 2.92Å; T198-R245 WeakPolarHBondContact O-CD 3.28Å |
| 246 | P | 98.6 | Very high | 98 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.4 | 172.5 | -24.5 | 34 | 0 | 0 | 0 | 113.3 | Q248 | P246-Q248 PolarHBondContact O-N 3.12Å; P246-Q248 PolarHBondContact O-NE2 3.05Å |
| 247 | P | 98.7 | Very high | 98.1 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 132.7 | 171.9 | -29 | 36.3 | 0 | 0 | 0 | 113.3 | T108 | T108-P247 HydrophobicContact CG2-CG 4Š|
| 248 | Q | 98.8 | Very high | 98.2 | Very high | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 158.2 | 178.4 | -56.8 | -60.1 | -58.1 | 0 | 0 | 110.7 | Q28 P30 P246 L250 | Q28-Q248 HydrophobicContact CB-CB 3.95Å; Q28-Q248 HydrophobicContact CB-CG 3.93Å; P30-Q248 WeakPolarHBondContact O-CB 3.39Å; P30-Q248 PolarHBondContact O-N 2.78Å; P246-Q248 PolarHBondContact O-N 3.12Å; P246-Q248 PolarHBondContact O-NE2 3.05Å; Q248-L250 PolarHBondContact O-N 3.27Å |
| 249 | P | 98.5 | Very high | 98.3 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 130.9 | 177.7 | -25.9 | 35.8 | 0 | 0 | 0 | 112.7 | K251 R253 | P249-K251 HydrophobicContact CB-CG 3.99Å; P249-K251 PolarHBondContact O-N 2.73Å; P249-R253 PolarHBondContact O-NH2 3.18Å |
| 250 | L | 98.2 | Very high | 97.8 | Very high | 63 Ų | 63 | 52 Ų | 52 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | trans | -61.3 | -33.3 | 176.5 | -175.4 | 62.3 | 0 | 0 | 0 | 112.1 | I31 Q248 R253 V255 | I31-L250 HydrophobicContact CD1-CD1 3.62Å; I31-L250 HydrophobicContact CG2-CD1 4.35Å; Q248-L250 PolarHBondContact O-N 3.27Å; L250-R253 HydrophobicContact CD1-CB 3.89Å; L250-R253 HydrophobicContact CG-CB 4.32Å; L250-R253 WeakPolarHBondContact O-CB 3.45Å; L250-R253 PolarHBondContact O-N 2.97Å; L250-R253 PolarHBondContact O-NE 2.91Å; L250-V255 HydrophobicContact CD1-CG2 4.15Å | ||
| 251 | K | 97.6 | Very high | 97.8 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -140.8 | -176.8 | -62.9 | 178.1 | 174.5 | 177.7 | 0 | 110.3 | N24 G25 P26 P249 R253 | N24-K251 PolarHBondContact O-NZ 3.18Å; G25-K251 PolarHBondContact O-NZ 2.85Å; P26-K251 HydrophobicContact CB-CD 4.49Å; P26-K251 WeakPolarHBondContact O-CD 3.17Å; P249-K251 HydrophobicContact CB-CG 3.99Å; P249-K251 PolarHBondContact O-N 2.73Å; K251-R253 PolarHBondContact O-N 2.74Å |
| 252 | G | 96.5 | Very high | 97.8 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 90% | 0.897 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 15.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 253 | R | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | trans | -86.7 | 155 | -179.3 | -63.9 | 175 | -73.8 | 177.1 | -0.9 | 110.9 | R27 Q28 E194 P249 L250 K251 | R27-R253 HydrophobicContact CG-CG 4.37Å; R27-R253 PolarHBondContact O-NH1 2.95Å; Q28-R253 PolarHBondContact O-NH1 3.33Å; Q28-R253 PolarHBondContact O-NH2 3.31Å; E194-R253 WeakPolarHBondContact O-CD 3.15Å; E194-R253 PolarHBondContact O-NH1 3.38Å; E194-R253 VanDerWaalsContact O-NH1 3.14Å; P249-R253 PolarHBondContact O-NH2 3.18Å; L250-R253 HydrophobicContact CD1-CB 3.89Å; L250-R253 HydrophobicContact CG-CB 4.32Å; L250-R253 WeakPolarHBondContact O-CB 3.45Å; L250-R253 PolarHBondContact O-N 2.97Å; L250-R253 PolarHBondContact O-NE 2.91Å; K251-R253 PolarHBondContact O-N 2.74Å | ||
| 254 | T | 97.5 | Very high | 97.7 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | trans | -117.1 | 138.1 | 171.5 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 255 | V | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | trans | -89.9 | 129.6 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | I31 I33 A38 S39 W191 L250 | I31-V255 HydrophobicContact CD1-CG2 3.59Å; I33-V255 HydrophobicContact CG2-CG1 4.31Å; A38-V255 WeakPolarHBondContact CA-O 3.48Å; A38-V255 HydrophobicContact CB-CB 4.34Å; A38-V255 HydrophobicContact CB-CG1 4.2Å; S39-V255 PolarHBondContact N-O 3.01Å; W191-V255 HydrophobicContact CB-CG1 3.78Å; W191-V255 HydrophobicContact CG-CG1 4.12Å; L250-V255 HydrophobicContact CD1-CG2 4.15Å | ||
| 256 | R | 98.8 | Very high | 97.5 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 149.2 | 174.3 | -59.3 | 179.9 | -66.3 | 149.2 | -1.7 | 109.9 | S39 D41 L44 W191 T192 | S39-R256 CarbonylContact O-C 3.09Å; S39-R256 VanDerWaalsContact O-CA 3.24Å; S39-R256 WeakPolarHBondContact O-CA 3.39Å; D41-R256 HydrophobicContact CB-CB 4.2Å; D41-R256 HydrophobicContact CB-CG 4.48Å; D41-R256 WeakPolarHBondContact OD2-CD 3.35Å; D41-R256 IonicContact OD2-CZ 2.71Å; D41-R256 IonicContact OD2-NE 2.77Å; D41-R256 IonicContact OD2-NH1 3.64Å; D41-R256 PolarHBondContact OD2-NH1 2.71Å; L44-R256 HydrophobicContact CD1-CB 3.96Å; W191-R256 CarbonylContact C-O 3.34Å; W191-R256 VanDerWaalsContact CA-O 3.23Å; W191-R256 WeakPolarHBondContact CA-O 3.3Å; T192-R256 HydrophobicContact CG2-CB 3.91Å; T192-R256 PolarHBondContact N-O 2.77Å; T192-R256 PolarHBondContact O-N 3.11Å |
| 257 | A | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A38 S39 Y40 D41 F259 | A38-A257 HydrophobicContact CB-CB 4.47Å; S39-A257 PolarHBondContact O-N 2.74Å; Y40-A257 WeakPolarHBondContact CD2-O 3.35Å; D41-A257 PolarHBondContact N-O 3.47Å; A257-F259 HydrophobicContact CB-CD1 4.28Å; A257-F259 HydrophobicContact CB-CE1 4.1Å; A257-F259 HydrophobicContact CB-CZ 4.24Å; A257-F259 PolarHBondContact O-N 2.83Å |
| 258 | S | 98.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 64.6 Ų | 64.6 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -79.5 | -1.2 | 174.2 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | Y190 | Y190-S258 PolarHBondContact N-OG 2.92Å; Y190-S258 PolarHBondContact O-N 2.79Å; Y190-S258 PolarHBondContact O-OG 2.94Å |
| 259 | F | 97.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 11% | 0.114 | 37% | 0.374 | C | S | . | . | trans | -136.4 | 159.4 | -172.3 | 60.5 | -90 | 0 | 0 | 0 | 110.8 | Y40 D189 W191 K212 A257 | Y40-F259 WeakPolarHBondContact CD2-O 3.47Å; D189-F259 HydrophobicContact CB-CB 4.34Å; D189-F259 HydrophobicContact CB-CD1 3.65Å; D189-F259 HydrophobicContact CB-CE1 4.29Å; D189-F259 HydrophobicContact CB-CG 4.19Å; D189-F259 WeakPolarHBondContact OD2-CB 3.18Å; W191-F259 HydrophobicContact CD2-CE1 4.36Å; W191-F259 HydrophobicContact CD2-CZ 4.23Å; W191-F259 AromaticContact CE2-CZ 3.5Å; W191-F259 VanDerWaalsContact CE2-CZ 3.5Å; W191-F259 HydrophobicContact CH2-CZ 4.43Å; W191-F259 HydrophobicContact CZ2-CE1 4.44Å; W191-F259 AromaticContact CZ2-CZ 3.61Å; W191-F259 HydrophobicContact CZ2-CZ 3.61Å; W191-F259 AromaticContact NE1-CZ 3.49Å; K212-F259 HydrophobicContact CB-CE1 4.01Å; K212-F259 HydrophobicContact CB-CZ 4.25Å; K212-F259 HydrophobicContact CD-CD1 4.18Å; K212-F259 HydrophobicContact CD-CD2 4.14Å; K212-F259 HydrophobicContact CD-CE1 3.78Å; K212-F259 HydrophobicContact CD-CE2 3.75Å; K212-F259 HydrophobicContact CD-CG 4.33Å; K212-F259 HydrophobicContact CD-CZ 3.53Å; K212-F259 HydrophobicContact CG-CE1 4.2Å; K212-F259 HydrophobicContact CG-CZ 3.96Å; K212-F259 VanDerWaalsContact NZ-CD2 3.33Å; A257-F259 HydrophobicContact CB-CD1 4.28Å; A257-F259 HydrophobicContact CB-CE1 4.1Å; A257-F259 HydrophobicContact CB-CZ 4.24Å; A257-F259 PolarHBondContact O-N 2.83Å | ||
| 260 | Q | 89.1 | Confident | 97.1 | Very high | 209 Ų | 209 | 65.5 Ų | 65.5 | 98% | 0.977 | 36% | 0.361 | S | S | * | . | trans | -87.4 | 0 | 176.2 | -67.8 | -173.6 | -10.9 | 0 | 0 | 112.7 | Y40 | Y40-Q260 HydrophobicContact CD1-CG 3.68Å; Y40-Q260 HydrophobicContact CD2-CG 4.11Å; Y40-Q260 HydrophobicContact CE1-CG 3.72Å; Y40-Q260 HydrophobicContact CE2-CG 4.14Å; Y40-Q260 HydrophobicContact CG-CG 3.87Å |
Retrieved 260 of 260 residues in 173.8 ms
(Link to these results)