| 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 | 36.4 | Very low | 65.4 | Low | 231 Ų | 231 | 87.1 Ų | 87.1 | 100% | 1.138 | 55% | 0.549 | S | S | * | . | 0 | 113.2 | 0 | -66.2 | -71 | -134.2 | 0 | 0 | 107 | G3 | M1-G3 PolarHBondContact O-N 3.11Š| |||
| 2 | P | 38.6 | Very low | 68.1 | Low | 123 Ų | 123 | 83.3 Ų | 83.3 | 80% | 0.799 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 133 | 164.7 | -6.6 | 23 | 0 | 0 | 0 | 106.9 | ||
| 3 | G | 34.7 | Very low | 70.5 | Confident | 59 Ų | 59 | 82.2 Ų | 82.2 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 165.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | M1 A5 | M1-G3 PolarHBondContact O-N 3.11Å; G3-A5 PolarHBondContact O-N 3.43Å; G3-A5 VanDerWaalsContact O-N 3.11Å |
| 4 | P | 42.9 | Very low | 72.4 | Confident | 134 Ų | 134 | 77 Ų | 77 | 87% | 0.87 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -54 | 123.8 | 175.9 | 24.1 | -32.4 | 0 | 0 | 0 | 108.5 | A6 | P4-A6 PolarHBondContact O-N 3.22Š|
| 5 | A | 50.3 | Low | 74.2 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 44% | 0.438 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 129.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | G3 G7 | G3-A5 PolarHBondContact O-N 3.43Å; G3-A5 VanDerWaalsContact O-N 3.11Å; A5-G7 VanDerWaalsContact C-N 3.34Å; A5-G7 PolarHBondContact O-N 2.81Å |
| 6 | A | 55.3 | Low | 75.6 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 83% | 0.826 | 45% | 0.448 | S | S | * | . | trans | -56 | 104.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | P4 S8 | P4-A6 PolarHBondContact O-N 3.22Å; A6-S8 PolarHBondContact O-N 3.05Å | ||
| 7 | G | 74.3 | Confident | 77 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 43% | 0.433 | 42% | 0.422 | S | S | . | . | trans | -57.9 | 140.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A5 K9 | A5-G7 VanDerWaalsContact C-N 3.34Å; A5-G7 PolarHBondContact O-N 2.81Å; G7-K9 PolarHBondContact O-N 3.34Å | ||
| 8 | S | 92.9 | Very high | 78.1 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 6% | 0.056 | 43% | 0.43 | C | S | . | . | trans | -63.9 | 133 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | A6 Y207 H310 Q311 | A6-S8 PolarHBondContact O-N 3.05Å; S8-Y207 WeakPolarHBondContact CB-OH 3.43Å; S8-H310 PolarHBondContact OG-NE2 2.94Å; S8-Q311 PolarHBondContact OG-NE2 2.98Å | ||
| 9 | K | 96.8 | Very high | 79.1 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | trans | -126.9 | 141.4 | 175.2 | -178.1 | 174 | 176 | 173.9 | 0 | 108 | G7 A14 D15 Y183 P185 Q311 | G7-K9 PolarHBondContact O-N 3.34Å; K9-A14 HydrophobicContact CD-CB 4.15Å; K9-A14 HydrophobicContact CG-CB 3.8Å; K9-D15 WeakPolarHBondContact CE-OD1 3.5Å; K9-D15 IonicContact NZ-OD1 2.75Å; K9-D15 PolarHBondContact NZ-OD1 3.19Å; K9-D15 IonicContact NZ-OD2 2.66Å; K9-D15 PolarHBondContact NZ-OD2 2.89Å; K9-Y183 WeakPolarHBondContact CA-OH 3.35Å; K9-P185 HydrophobicContact CD-CB 4.45Å; K9-P185 HydrophobicContact CG-CB 4.41Å; K9-Q311 PolarHBondContact O-NE2 3.38Å; K9-Q311 PolarHBondContact O-OE1 3.5Å | ||
| 10 | S | 98.3 | Very high | 80 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 7% | 0.07 | 44% | 0.441 | C | S | . | . | trans | -59.8 | 142.7 | 178.4 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | V12 A14 Y183 D211 Y212 | S10-V12 VanDerWaalsContact C-N 3.25Å; S10-V12 WeakPolarHBondContact CB-O 3.45Å; S10-V12 PolarHBondContact O-N 3.39Å; S10-V12 PolarHBondContact OG-O 2.98Å; S10-V12 VanDerWaalsContact OG-O 3.13Å; S10-A14 WeakPolarHBondContact O-CB 3.47Å; S10-Y183 PolarHBondContact N-OH 3.45Å; S10-D211 WeakPolarHBondContact CA-OD2 3.47Å; S10-Y212 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 11 | R | 98.6 | Very high | 80.9 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 40% | 0.404 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -67.5 | -27.8 | 177.8 | -63.7 | -165 | -66.7 | 117.1 | -2.2 | 112.8 | Q311 R313 E318 | R11-Q311 WeakPolarHBondContact CD-O 3.46Å; R11-Q311 PolarHBondContact NE-O 2.91Å; R11-R313 PolarHBondContact NH2-O 2.79Å; R11-E318 IonicContact CZ-OE1 2.91Å; R11-E318 IonicContact CZ-OE2 4Å; R11-E318 IonicContact NH1-OE1 3.63Å; R11-E318 PolarHBondContact NH1-OE1 3.36Å; R11-E318 IonicContact NH1-OE2 3.31Å; R11-E318 PolarHBondContact NH1-OE2 3.09Å; R11-E318 IonicContact NH2-OE1 2.81Å; R11-E318 IonicContact NH2-OE2 3.08Å; R11-E318 PolarHBondContact NH2-OE2 2.91Å |
| 12 | V | 98.6 | Very high | 83.8 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 26% | 0.255 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -131.4 | 156.1 | -177.9 | -67 | 0 | 0 | 0 | 0 | 109.9 | S10 A14 Y212 T315 | S10-V12 VanDerWaalsContact C-N 3.25Å; S10-V12 WeakPolarHBondContact CB-O 3.45Å; S10-V12 PolarHBondContact O-N 3.39Å; S10-V12 PolarHBondContact OG-O 2.98Å; S10-V12 VanDerWaalsContact OG-O 3.13Å; V12-A14 PolarHBondContact O-N 3.41Å; V12-Y212 WeakPolarHBondContact O-CE2 3.34Å; V12-T315 HydrophobicContact CB-CG2 4.32Å; V12-T315 HydrophobicContact CG1-CG2 3.77Å; V12-T315 HydrophobicContact CG2-CG2 3.57Å |
| 13 | Y | 98.6 | Very high | 86.6 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 52.6 | 23.5 | 173.7 | -47.1 | -54.4 | 0 | 0 | 0 | 115.3 | D15 V16 D146 H149 Y212 | Y13-D15 PolarHBondContact O-N 3.37Å; Y13-V16 HydrophobicContact CD1-CG2 4.28Å; Y13-V16 PolarHBondContact O-N 2.63Å; Y13-D146 PolarHBondContact OH-OD1 3.17Å; Y13-H149 WeakPolarHBondContact CB-O 3.47Å; Y13-H149 HydrophobicContact CD2-CB 3.87Å; Y13-H149 HydrophobicContact CE2-CB 4.1Å; Y13-Y212 PolarHBondContact O-OH 2.99Å |
| 14 | A | 98.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 70 Ų | 70 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -37.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K9 S10 V12 Y183 P185 | K9-A14 HydrophobicContact CD-CB 4.15Å; K9-A14 HydrophobicContact CG-CB 3.8Å; S10-A14 WeakPolarHBondContact O-CB 3.47Å; V12-A14 PolarHBondContact O-N 3.41Å; A14-Y183 HydrophobicContact CB-CE1 4.2Å; A14-Y183 WeakPolarHBondContact O-CE1 3.38Å; A14-P185 VanDerWaalsContact O-CD 3.28Å; A14-P185 WeakPolarHBondContact O-CD 3.4Å; A14-P185 WeakPolarHBondContact O-CG 3.38Å |
| 15 | D | 98 | Very high | 92.3 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 7.4 | -175 | -55.5 | -58.6 | 0 | 0 | 0 | 112.7 | K9 Y13 N17 T18 L19 P185 | K9-D15 WeakPolarHBondContact CE-OD1 3.5Å; K9-D15 IonicContact NZ-OD1 2.75Å; K9-D15 PolarHBondContact NZ-OD1 3.19Å; K9-D15 IonicContact NZ-OD2 2.66Å; K9-D15 PolarHBondContact NZ-OD2 2.89Å; Y13-D15 PolarHBondContact O-N 3.37Å; D15-N17 VanDerWaalsContact C-N 3.34Å; D15-N17 PolarHBondContact O-N 3.03Å; D15-T18 WeakPolarHBondContact O-CA 3.42Å; D15-T18 WeakPolarHBondContact O-CB 3.3Å; D15-T18 PolarHBondContact O-N 2.75Å; D15-L19 WeakPolarHBondContact O-CG 3.28Å; D15-L19 PolarHBondContact O-N 3.42Å; D15-P185 WeakPolarHBondContact OD1-CG 3.08Å |
| 16 | V | 98.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.6 | -45.9 | -173.8 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | Y13 L19 K20 S150 | Y13-V16 HydrophobicContact CD1-CG2 4.28Å; Y13-V16 PolarHBondContact O-N 2.63Å; V16-L19 PolarHBondContact O-N 2.93Å; V16-K20 HydrophobicContact CG1-CD 4.21Å; V16-K20 VanDerWaalsContact CG1-CE 3.47Å; V16-K20 WeakPolarHBondContact O-CG 3.5Å; V16-K20 PolarHBondContact O-N 3.06Å; V16-S150 WeakPolarHBondContact CG1-O 3.23Å |
| 17 | N | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.2 | -30.4 | 178.9 | -71 | -35.5 | 0 | 0 | 0 | 113 | D15 L19 K20 Y24 W25 G152 Y183 | D15-N17 VanDerWaalsContact C-N 3.34Å; D15-N17 PolarHBondContact O-N 3.03Å; N17-L19 PolarHBondContact O-N 3.47Å; N17-K20 PolarHBondContact O-N 2.94Å; N17-Y24 VanDerWaalsContact OD1-CE1 3.29Å; N17-Y24 WeakPolarHBondContact OD1-CE1 3.48Å; N17-W25 HydrophobicContact CB-CG 4.39Å; N17-W25 VanDerWaalsContact O-CD1 3.22Å; N17-W25 PolarHBondContact O-NE1 3.02Å; N17-W25 VanDerWaalsContact O-NE1 3.12Å; N17-G152 PolarHBondContact ND2-O 2.84Å; N17-Y183 PolarHBondContact ND2-N 3.42Å; N17-Y183 PolarHBondContact ND2-O 3.31Å |
| 18 | T | 96.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.6 | -33.1 | 174.1 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | D15 | D15-T18 WeakPolarHBondContact O-CA 3.42Å; D15-T18 WeakPolarHBondContact O-CB 3.3Å; D15-T18 PolarHBondContact O-N 2.75Å |
| 19 | L | 97.5 | Very high | 97.9 | Very high | 147 Ų | 147 | 68 Ų | 68 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -83.3 | -15.9 | 178.7 | -63.6 | 173.1 | 0 | 0 | 0 | 113.5 | D15 V16 N17 | D15-L19 WeakPolarHBondContact O-CG 3.28Å; D15-L19 PolarHBondContact O-N 3.42Å; V16-L19 PolarHBondContact O-N 2.93Å; N17-L19 PolarHBondContact O-N 3.47Å |
| 20 | K | 97.7 | Very high | 97.9 | Very high | 73 Ų | 73 | 65.2 Ų | 65.2 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -87.4 | 159 | 177.9 | -73.7 | 178 | -173.2 | -73.4 | 0 | 111.5 | V16 N17 Y24 | V16-K20 HydrophobicContact CG1-CD 4.21Å; V16-K20 VanDerWaalsContact CG1-CE 3.47Å; V16-K20 WeakPolarHBondContact O-CG 3.5Å; V16-K20 PolarHBondContact O-N 3.06Å; N17-K20 PolarHBondContact O-N 2.94Å; K20-Y24 HydrophobicContact CB-CD1 4.09Å; K20-Y24 HydrophobicContact CB-CG 4.04Å; K20-Y24 HydrophobicContact CD-CD1 3.33Å; K20-Y24 HydrophobicContact CD-CD2 3.78Å; K20-Y24 HydrophobicContact CD-CE1 3.29Å; K20-Y24 HydrophobicContact CD-CE2 3.73Å; K20-Y24 HydrophobicContact CD-CG 3.57Å; K20-Y24 VanDerWaalsContact CD-CZ 3.49Å; K20-Y24 HydrophobicContact CG-CD1 4.35Å; K20-Y24 HydrophobicContact CG-CG 4.38Å |
| 21 | S | 97.8 | Very high | 97.8 | Very high | 61 Ų | 61 | 70.5 Ų | 70.5 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | trans | -59 | 147.4 | 174.1 | 58 | 0 | 0 | 0 | 0 | 110.8 | E23 Y24 | S21-E23 PolarHBondContact O-N 3.41Å; S21-E23 WeakPolarHBondContact OG-CG 3.4Å; S21-E23 PolarHBondContact OG-OE1 3.2Å; S21-Y24 WeakPolarHBondContact O-CB 3.03Å; S21-Y24 PolarHBondContact O-N 3.44Å | ||
| 22 | R | 97.7 | Very high | 97.6 | Very high | 170 Ų | 170 | 66 Ų | 66 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55 | -38.5 | -179.3 | 178.9 | 175.8 | 171.9 | 172.3 | 0.4 | 112.8 | Y24 W25 D26 | R22-Y24 PolarHBondContact O-N 3.45Å; R22-Y24 VanDerWaalsContact O-N 3.1Å; R22-W25 HydrophobicContact CB-CZ2 4.25Å; R22-W25 HydrophobicContact CG-CH2 4.07Å; R22-W25 HydrophobicContact CG-CZ2 3.95Å; R22-W25 PolarHBondContact O-N 2.92Å; R22-D26 HydrophobicContact CG-CB 3.8Å; R22-D26 IonicContact CZ-OD2 3.73Å; R22-D26 VanDerWaalsContact CZ-OD2 3.31Å; R22-D26 IonicContact NE-OD2 3.41Å; R22-D26 PolarHBondContact NE-OD2 2.93Å; R22-D26 IonicContact NH2-OD2 3.49Å; R22-D26 PolarHBondContact NH2-OD2 3.22Å; R22-D26 WeakPolarHBondContact O-CB 3.18Å; R22-D26 PolarHBondContact O-N 3.27Å |
| 23 | E | 97.8 | Very high | 97.5 | Very high | 144 Ų | 144 | 68.2 Ų | 68.2 | 67% | 0.673 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.3 | -19.1 | 175.9 | 62.7 | -178.8 | 174.1 | 0 | 0 | 114.2 | S21 K84 | S21-E23 PolarHBondContact O-N 3.41Å; S21-E23 WeakPolarHBondContact OG-CG 3.4Å; S21-E23 PolarHBondContact OG-OE1 3.2Å; E23-K84 WeakPolarHBondContact O-CE 3.44Å; E23-K84 PolarHBondContact O-NZ 2.88Å; E23-K84 VanDerWaalsContact O-NZ 3.15Å |
| 24 | Y | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.9 | -43.3 | 178.8 | -178.6 | -93.3 | 0 | 0 | 0 | 111.8 | N17 K20 S21 R22 K84 N88 M151 F182 | N17-Y24 VanDerWaalsContact OD1-CE1 3.29Å; N17-Y24 WeakPolarHBondContact OD1-CE1 3.48Å; K20-Y24 HydrophobicContact CB-CD1 4.09Å; K20-Y24 HydrophobicContact CB-CG 4.04Å; K20-Y24 HydrophobicContact CD-CD1 3.33Å; K20-Y24 HydrophobicContact CD-CD2 3.78Å; K20-Y24 HydrophobicContact CD-CE1 3.29Å; K20-Y24 HydrophobicContact CD-CE2 3.73Å; K20-Y24 HydrophobicContact CD-CG 3.57Å; K20-Y24 VanDerWaalsContact CD-CZ 3.49Å; K20-Y24 HydrophobicContact CG-CD1 4.35Å; K20-Y24 HydrophobicContact CG-CG 4.38Å; S21-Y24 WeakPolarHBondContact O-CB 3.03Å; S21-Y24 PolarHBondContact O-N 3.44Å; R22-Y24 PolarHBondContact O-N 3.45Å; R22-Y24 VanDerWaalsContact O-N 3.1Å; Y24-K84 WeakPolarHBondContact O-CE 3.34Å; Y24-N88 HydrophobicContact CE2-CB 3.93Å; Y24-N88 WeakPolarHBondContact CE2-ND2 3.37Å; Y24-N88 PolarHBondContact O-ND2 3.34Å; Y24-M151 WeakPolarHBondContact CE1-O 3.26Å; Y24-M151 HydrophobicContact CE2-CE 4.32Å; Y24-M151 WeakPolarHBondContact OH-CE 3.5Å; Y24-M151 PolarHBondContact OH-O 3.23Å; Y24-F182 HydrophobicContact CD1-CD1 4.45Å; Y24-F182 HydrophobicContact CD1-CE1 4.05Å; Y24-F182 HydrophobicContact CE1-CD1 4.2Å; Y24-F182 AromaticContact CE1-CE1 3.78Å; Y24-F182 HydrophobicContact CE1-CE1 3.78Å; Y24-F182 WeakPolarHBondContact O-CZ 3.49Å |
| 25 | W | 98.2 | Very high | 97.4 | Very high | 76 Ų | 76 | 70 Ų | 70 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -114.2 | -17.8 | -172.9 | 55.1 | -101.6 | 0 | 0 | 0 | 113.5 | N17 R22 Y27 F182 H184 | N17-W25 HydrophobicContact CB-CG 4.39Å; N17-W25 VanDerWaalsContact O-CD1 3.22Å; N17-W25 PolarHBondContact O-NE1 3.02Å; N17-W25 VanDerWaalsContact O-NE1 3.12Å; R22-W25 HydrophobicContact CB-CZ2 4.25Å; R22-W25 HydrophobicContact CG-CH2 4.07Å; R22-W25 HydrophobicContact CG-CZ2 3.95Å; R22-W25 PolarHBondContact O-N 2.92Å; W25-Y27 WeakPolarHBondContact O-CD1 3.36Å; W25-Y27 PolarHBondContact O-N 3Å; W25-F182 HydrophobicContact CB-CB 4.19Å; W25-F182 HydrophobicContact CB-CD1 3.7Å; W25-F182 HydrophobicContact CB-CD2 4.34Å; W25-F182 HydrophobicContact CB-CE1 4.14Å; W25-F182 HydrophobicContact CB-CG 3.8Å; W25-H184 AromaticContact CD2-CE1 3.57Å; W25-H184 AromaticContact CD2-NE2 3.93Å; W25-H184 AromaticContact CE3-CE1 3.83Å; W25-H184 AromaticContact CE3-NE2 3.82Å; W25-H184 AromaticContact CG-CE1 3.7Å |
| 26 | D | 98.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | trans | -77 | 70.5 | 175.1 | -169.2 | -7.9 | 0 | 0 | 0 | 111 | R22 E28 A29 H30 | R22-D26 HydrophobicContact CG-CB 3.8Å; R22-D26 IonicContact CZ-OD2 3.73Å; R22-D26 VanDerWaalsContact CZ-OD2 3.31Å; R22-D26 IonicContact NE-OD2 3.41Å; R22-D26 PolarHBondContact NE-OD2 2.93Å; R22-D26 IonicContact NH2-OD2 3.49Å; R22-D26 PolarHBondContact NH2-OD2 3.22Å; R22-D26 WeakPolarHBondContact O-CB 3.18Å; R22-D26 PolarHBondContact O-N 3.27Å; D26-E28 PolarHBondContact O-N 2.78Å; D26-E28 PolarHBondContact OD1-N 3.39Å; D26-A29 PolarHBondContact O-N 2.92Å; D26-A29 PolarHBondContact OD1-N 2.78Å; D26-H30 PolarHBondContact O-N 3.04Å | ||
| 27 | Y | 98.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 69.4 Ų | 69.4 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.8 | 179.7 | 59 | -99 | 0 | 0 | 0 | 113.2 | W25 H30 K77 K80 R81 E181 F182 | W25-Y27 WeakPolarHBondContact O-CD1 3.36Å; W25-Y27 PolarHBondContact O-N 3Å; Y27-H30 PolarHBondContact O-N 2.55Å; Y27-K77 HydrophobicContact CD2-CG 4.34Å; Y27-K77 HydrophobicContact CE2-CD 4.19Å; Y27-K77 VanDerWaalsContact CE2-CE 3.49Å; Y27-K77 HydrophobicContact CE2-CG 3.6Å; Y27-K77 WeakPolarHBondContact OH-CE 3.39Å; Y27-K80 WeakPolarHBondContact O-CB 3.38Å; Y27-K80 VanDerWaalsContact O-CD 3.3Å; Y27-K80 WeakPolarHBondContact O-CD 3.4Å; Y27-R81 HydrophobicContact CD1-CB 4.26Å; Y27-R81 HydrophobicContact CD1-CG 3.92Å; Y27-R81 HydrophobicContact CD2-CB 3.59Å; Y27-R81 HydrophobicContact CD2-CG 4.13Å; Y27-R81 HydrophobicContact CE1-CB 4.39Å; Y27-R81 HydrophobicContact CE1-CG 3.88Å; Y27-R81 HydrophobicContact CE2-CB 3.72Å; Y27-R81 HydrophobicContact CE2-CG 4.06Å; Y27-R81 HydrophobicContact CG-CB 3.87Å; Y27-R81 HydrophobicContact CG-CG 4.05Å; Y27-E181 WeakPolarHBondContact CE1-OE1 3.41Å; Y27-E181 PolarHBondContact OH-OE1 3.46Å; Y27-F182 AromaticContact CD1-CD2 3.71Å; Y27-F182 HydrophobicContact CD1-CD2 3.71Å; Y27-F182 AromaticContact CD1-CE2 3.77Å; Y27-F182 HydrophobicContact CD1-CE2 3.77Å; Y27-F182 HydrophobicContact CE1-CD2 4.06Å |
| 28 | E | 97 | Very high | 97 | Very high | 103 Ų | 103 | 75.3 Ų | 75.3 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -36.4 | 175 | -65.8 | -159.3 | -135 | 0 | 0 | 111.4 | D26 H30 K77 K80 | D26-E28 PolarHBondContact O-N 2.78Å; D26-E28 PolarHBondContact OD1-N 3.39Å; E28-H30 VanDerWaalsContact C-N 3.34Å; E28-K77 HydrophobicContact CG-CD 4.06Å; E28-K77 HydrophobicContact CG-CG 4.05Å; E28-K77 WeakPolarHBondContact OE1-CD 3.47Å; E28-K77 WeakPolarHBondContact OE1-CE 3.45Å; E28-K77 IonicContact OE1-NZ 2.7Å; E28-K77 PolarHBondContact OE1-NZ 3.11Å; E28-K80 PolarHBondContact O-NZ 2.9Å |
| 29 | A | 97.2 | Very high | 97 | Very high | 68 Ų | 68 | 73.3 Ų | 73.3 | 56% | 0.562 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D26 | D26-A29 PolarHBondContact O-N 2.92Å; D26-A29 PolarHBondContact OD1-N 2.78Å |
| 30 | H | 97.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | trans | -58.8 | 138.8 | -178.5 | 177 | 66.6 | 0 | 0 | 0 | 112.9 | D26 Y27 E28 K80 E87 | D26-H30 PolarHBondContact O-N 3.04Å; Y27-H30 PolarHBondContact O-N 2.55Å; E28-H30 VanDerWaalsContact C-N 3.34Å; H30-K80 VanDerWaalsContact O-CD 3.31Å; H30-K80 WeakPolarHBondContact O-CD 3.42Å; H30-K80 WeakPolarHBondContact O-CE 3.47Å; H30-K80 PolarHBondContact O-NZ 3.26Å; H30-E87 IonicContact CE1-OE1 2.75Å; H30-E87 IonicContact CE1-OE2 3.92Å; H30-E87 PolarHBondContact CE1-OE2 2.77Å; H30-E87 IonicContact ND1-OE2 3.53Å; H30-E87 IonicContact NE2-OE1 3.36Å; H30-E87 IonicContact NE2-OE2 3.04Å; H30-E87 PolarHBondContact NE2-OE2 3.43Å | ||
| 31 | V | 96.4 | Very high | 97.1 | Very high | 122 Ų | 122 | 69.6 Ų | 69.6 | 74% | 0.739 | 36% | 0.355 | S | S | * | . | trans | -119.1 | 96.3 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 32 | P | 94.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 69.9 Ų | 69.9 | 8% | 0.078 | 35% | 0.352 | C | S | . | . | trans | -63.8 | 140.6 | 178.5 | -18.9 | 28.7 | 0 | 0 | 0 | 111.3 | W34 I83 | P32-W34 HydrophobicContact CB-CZ2 3.91Å; P32-W34 HydrophobicContact CG-CZ2 4.05Å; P32-W34 PolarHBondContact O-NE1 3.24Å; P32-I83 HydrophobicContact CB-CD1 3.89Å; P32-I83 HydrophobicContact CB-CG2 4.23Å; P32-I83 HydrophobicContact CG-CD1 3.78Å; P32-I83 HydrophobicContact CG-CG2 4.34Å | ||
| 33 | S | 95.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | trans | -70.9 | 142.3 | 164 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | T101 | S33-T101 PolarHBondContact O-OG1 2.89Š| ||
| 34 | W | 97.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | trans | -126 | 112.4 | -179.9 | -62.7 | 95.1 | 0 | 0 | 0 | 110.4 | P32 I79 I83 T101 V102 K103 P110 | P32-W34 HydrophobicContact CB-CZ2 3.91Å; P32-W34 HydrophobicContact CG-CZ2 4.05Å; P32-W34 PolarHBondContact O-NE1 3.24Å; W34-I79 HydrophobicContact CH2-CG2 4.03Å; W34-I79 HydrophobicContact CZ2-CG2 4.47Å; W34-I83 HydrophobicContact CH2-CD1 3.57Å; W34-I83 HydrophobicContact CZ2-CD1 3.91Å; W34-I83 HydrophobicContact CZ3-CD1 4.35Å; W34-T101 CarbonylContact C-O 3.53Å; W34-T101 WeakPolarHBondContact CA-O 3.49Å; W34-V102 VanDerWaalsContact CE3-O 3.27Å; W34-V102 WeakPolarHBondContact CZ3-O 3.33Å; W34-K103 HydrophobicContact CB-CD 4.15Å; W34-K103 HydrophobicContact CB-CG 4.45Å; W34-K103 VanDerWaalsContact CD1-NZ 3.26Å; W34-K103 HydrophobicContact CD2-CD 3.75Å; W34-K103 VanDerWaalsContact CD2-CE 3.43Å; W34-K103 HydrophobicContact CD2-CG 3.9Å; W34-K103 VanDerWaalsContact CE2-CE 3.45Å; W34-K103 HydrophobicContact CE3-CD 4.06Å; W34-K103 HydrophobicContact CE3-CG 3.65Å; W34-K103 HydrophobicContact CG-CD 3.78Å; W34-K103 HydrophobicContact CG-CG 4.25Å; W34-K103 HydrophobicContact CZ3-CG 4.2Å; W34-P110 HydrophobicContact CE3-CB 4.42Å; W34-P110 HydrophobicContact CH2-CB 3.46Å; W34-P110 VanDerWaalsContact CH2-CB 3.46Å; W34-P110 HydrophobicContact CZ2-CB 4.41Å; W34-P110 HydrophobicContact CZ3-CB 3.47Å; W34-P110 VanDerWaalsContact CZ3-CB 3.47Å | ||
| 35 | S | 97.2 | Very high | 97 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 172.3 | 172.9 | -49.6 | 0 | 0 | 0 | 0 | 111 | D100 T101 V102 K103 | S35-D100 WeakPolarHBondContact CB-OD1 3.36Å; S35-D100 VanDerWaalsContact CB-OD2 3.31Å; S35-D100 WeakPolarHBondContact CB-OD2 3.04Å; S35-D100 PolarHBondContact OG-OD1 3.25Å; S35-D100 PolarHBondContact OG-OD2 3.46Å; S35-T101 PolarHBondContact N-O 3.27Å; S35-V102 WeakPolarHBondContact O-CA 3.31Å; S35-K103 PolarHBondContact O-N 2.92Å |
| 36 | N | 95.5 | Very high | 96.8 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.1 | 179.2 | -169.3 | -4.6 | 0 | 0 | 0 | 110.4 | E38 D39 | N36-E38 PolarHBondContact ND2-OE2 2.89Å; N36-E38 PolarHBondContact O-N 3.48Å; N36-E38 PolarHBondContact OD1-N 2.98Å; N36-E38 VanDerWaalsContact OD1-N 3.08Å; N36-D39 PolarHBondContact O-N 3.26Å |
| 37 | Q | 95.3 | Very high | 96.5 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -67.5 | -21.2 | 176.3 | -172.8 | 176.2 | -48.1 | 0 | 0 | 112.8 | D39 Y40 V102 K103 | Q37-D39 PolarHBondContact O-N 3.13Å; Q37-D39 VanDerWaalsContact O-N 3.14Å; Q37-Y40 PolarHBondContact O-N 2.91Å; Q37-V102 HydrophobicContact CB-CB 4.08Å; Q37-V102 HydrophobicContact CB-CG2 3.89Å; Q37-V102 HydrophobicContact CG-CG2 3.93Å; Q37-K103 WeakPolarHBondContact CB-O 3.43Å; Q37-K103 PolarHBondContact N-O 3.41Å; Q37-K103 VanDerWaalsContact N-O 3.16Å |
| 38 | E | 95.8 | Very high | 96.2 | Very high | 126 Ų | 126 | 77.2 Ų | 77.2 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -63.1 | -16.1 | 178.4 | -66.5 | 175.6 | 156.6 | 0 | 0 | 113.7 | N36 Y40 I60 P105 | N36-E38 PolarHBondContact ND2-OE2 2.89Å; N36-E38 PolarHBondContact O-N 3.48Å; N36-E38 PolarHBondContact OD1-N 2.98Å; N36-E38 VanDerWaalsContact OD1-N 3.08Å; E38-Y40 PolarHBondContact O-N 3.4Å; E38-I60 WeakPolarHBondContact O-CD1 3.28Å; E38-P105 HydrophobicContact CG-CG 3.99Å |
| 39 | D | 97.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 73.9 Ų | 73.9 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -66.4 | -10 | 170.7 | -67.9 | -42 | 0 | 0 | 0 | 113 | N36 Q37 N59 I60 N61 | N36-D39 PolarHBondContact O-N 3.26Å; Q37-D39 PolarHBondContact O-N 3.13Å; Q37-D39 VanDerWaalsContact O-N 3.14Å; D39-N59 WeakPolarHBondContact O-CA 3.47Å; D39-I60 WeakPolarHBondContact O-CG1 3.4Å; D39-I60 PolarHBondContact O-N 3.41Å; D39-N61 PolarHBondContact OD1-ND2 3.43Å |
| 40 | Y | 98.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 78.4 Ų | 78.4 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 109.5 | -174.1 | -57.1 | -83.8 | 0 | 0 | 0 | 111.8 | Q37 E38 L42 I58 N59 V66 D100 V102 V113 | Q37-Y40 PolarHBondContact O-N 2.91Å; E38-Y40 PolarHBondContact O-N 3.4Å; Y40-L42 PolarHBondContact O-N 2.9Å; Y40-I58 WeakPolarHBondContact CA-O 3.46Å; Y40-N59 HydrophobicContact CD1-CB 3.85Å; Y40-N59 HydrophobicContact CE1-CB 3.74Å; Y40-V66 HydrophobicContact CD1-CG2 3.7Å; Y40-V66 HydrophobicContact CE1-CG2 4.13Å; Y40-D100 VanDerWaalsContact OH-CB 3.25Å; Y40-D100 WeakPolarHBondContact OH-CB 3.5Å; Y40-D100 PolarHBondContact OH-OD2 3.35Å; Y40-V102 HydrophobicContact CD2-CG1 3.97Å; Y40-V102 HydrophobicContact CE2-CG1 3.51Å; Y40-V113 HydrophobicContact CD1-CG1 4.07Å; Y40-V113 HydrophobicContact CD2-CG2 4.23Å; Y40-V113 HydrophobicContact CE1-CB 4.45Å; Y40-V113 HydrophobicContact CE1-CG1 3.61Å; Y40-V113 HydrophobicContact CE1-CG2 4.24Å; Y40-V113 HydrophobicContact CE2-CG2 3.98Å; Y40-V113 HydrophobicContact CG-CG2 4.48Å |
| 41 | Q | 98.1 | Very high | 95 | Very high | 124 Ų | 124 | 81.2 Ų | 81.2 | 58% | 0.579 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.6 | 175.9 | -173 | 178.9 | 11.9 | 0 | 0 | 110.4 | V43 A57 I58 I60 | Q41-V43 PolarHBondContact O-N 3.38Å; Q41-A57 CarbonylContact O-C 3.54Å; Q41-A57 WeakPolarHBondContact O-CA 3.15Å; Q41-A57 VanDerWaalsContact O-CB 3.28Å; Q41-A57 WeakPolarHBondContact O-CB 3.16Å; Q41-I58 PolarHBondContact N-O 3.44Å; Q41-I58 PolarHBondContact O-N 2.6Å; Q41-I60 HydrophobicContact CB-CG2 3.97Å |
| 42 | L | 97.9 | Very high | 94.9 | Very high | 68 Ų | 68 | 75.8 Ų | 75.8 | 36% | 0.356 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 129.3 | 176 | -54.8 | -175.2 | 0 | 0 | 0 | 110.6 | Y40 F55 A57 V68 I70 | Y40-L42 PolarHBondContact O-N 2.9Å; L42-F55 HydrophobicContact CD1-CD1 4.38Å; L42-F55 HydrophobicContact CD1-CD2 4.5Å; L42-F55 HydrophobicContact CD1-CG 4.29Å; L42-F55 HydrophobicContact CD2-CB 4Å; L42-F55 HydrophobicContact CD2-CG 4.43Å; L42-A57 HydrophobicContact CD2-CB 3.97Å; L42-V68 HydrophobicContact CD2-CB 3.99Å; L42-V68 HydrophobicContact CD2-CG1 4.22Å; L42-V68 HydrophobicContact CD2-CG2 4.1Å; L42-I70 HydrophobicContact CD1-CD1 4.17Å |
| 43 | V | 97.7 | Very high | 95 | Very high | 80 Ų | 80 | 77.9 Ų | 77.9 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -58.4 | -178.2 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | Q41 E56 I58 | Q41-V43 PolarHBondContact O-N 3.38Å; V43-E56 PolarHBondContact N-O 2.69Å; V43-I58 HydrophobicContact CG2-CD1 3.92Å; V43-I58 HydrophobicContact CG2-CG1 3.85Å |
| 44 | R | 97.1 | Very high | 95.2 | Very high | 143 Ų | 143 | 75.3 Ų | 75.3 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.9 | -179 | 64.3 | 174.1 | 179.3 | 115.3 | 6.1 | 111.7 | L46 F55 E56 | R44-L46 HydrophobicContact CG-CD2 4.42Å; R44-F55 CarbonylContact O-C 3.53Å; R44-F55 VanDerWaalsContact O-CA 3.26Å; R44-F55 WeakPolarHBondContact O-CA 3.38Å; R44-E56 HydrophobicContact CG-CB 3.99Å; R44-E56 IonicContact CZ-OE2 3.18Å; R44-E56 PolarHBondContact N-O 2.72Å; R44-E56 IonicContact NE-OE2 3.36Å; R44-E56 PolarHBondContact NE-OE2 3.18Å; R44-E56 IonicContact NH2-OE2 2.8Å; R44-E56 PolarHBondContact NH2-OE2 2.82Å; R44-E56 PolarHBondContact O-N 2.78Å |
| 45 | K | 97.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 73.5 Ų | 73.5 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128 | 173.9 | -166.7 | 173.4 | -169.7 | 165.1 | 0 | 110.2 | E53 F55 | K45-E53 WeakPolarHBondContact CE-OE1 3.33Å; K45-E53 IonicContact NZ-OE1 2.71Å; K45-E53 PolarHBondContact NZ-OE1 3.15Å; K45-F55 HydrophobicContact CB-CD1 3.88Å; K45-F55 HydrophobicContact CB-CE1 3.73Å; K45-F55 HydrophobicContact CD-CE1 4.19Å; K45-F55 HydrophobicContact CD-CZ 4.33Å; K45-F55 HydrophobicContact CG-CD1 4.18Å; K45-F55 HydrophobicContact CG-CE1 3.82Å; K45-F55 HydrophobicContact CG-CZ 4.19Å |
| 46 | L | 93.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 72.6 Ų | 72.6 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -34.7 | 176 | -61.7 | 178.5 | 0 | 0 | 0 | 111.7 | R44 V54 E56 V67 | R44-L46 HydrophobicContact CG-CD2 4.42Å; L46-V54 HydrophobicContact CB-CG1 4.35Å; L46-V54 HydrophobicContact CD1-CG1 4.39Å; L46-V54 PolarHBondContact N-O 3.38Å; L46-E56 HydrophobicContact CD1-CB 4.09Å; L46-E56 HydrophobicContact CD2-CB 4.09Å; L46-E56 HydrophobicContact CG-CB 4.13Å; L46-V67 HydrophobicContact CD1-CG1 4.32Å; L46-V67 HydrophobicContact CD1-CG2 4.06Å |
| 47 | G | 91.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V54 | G47-V54 PolarHBondContact N-O 2.78Å; G47-V54 PolarHBondContact O-N 2.74Å |
| 48 | R | 92.4 | Very high | 95.5 | Very high | 189 Ų | 189 | 71 Ų | 71 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 119.6 | 176.6 | 178 | 176.7 | 173.3 | 168.8 | 8.2 | 109.3 | E53 | R48-E53 HydrophobicContact CG-CG 4.36Å |
| 49 | G | 87.4 | Confident | 95.6 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | -99.6 | 177 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y51 S52 K72 | G49-Y51 VanDerWaalsContact C-N 3.29Å; G49-Y51 PolarHBondContact O-N 2.73Å; G49-S52 PolarHBondContact N-O 3.12Å; G49-S52 VanDerWaalsContact O-O 3.13Å; G49-K72 PolarHBondContact O-NZ 2.73Å | ||
| 50 | K | 87.1 | Confident | 95.6 | Very high | 163 Ų | 163 | 67.5 Ų | 67.5 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -61.1 | -39.4 | 172.5 | -177.4 | 174.2 | 177.7 | -176.9 | 0 | 111.8 | K72 | K50-K72 WeakPolarHBondContact O-CD 3.48Š|
| 51 | Y | 91.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 72.1 Ų | 72.1 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -112.3 | 0.7 | -173 | -53.6 | -68.2 | 0 | 0 | 0 | 114.2 | G49 K72 V74 | G49-Y51 VanDerWaalsContact C-N 3.29Å; G49-Y51 PolarHBondContact O-N 2.73Å; Y51-K72 WeakPolarHBondContact O-CB 3.32Å; Y51-K72 PolarHBondContact O-N 3.03Å; Y51-V74 HydrophobicContact CD1-CG1 3.72Å; Y51-V74 HydrophobicContact CG-CG1 4.42Å |
| 52 | S | 95.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 70 Ų | 70 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 166.9 | -176.1 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | G49 K69 I70 | G49-S52 PolarHBondContact N-O 3.12Å; G49-S52 VanDerWaalsContact O-O 3.13Å; S52-K69 WeakPolarHBondContact OG-CE 3.33Å; S52-I70 CarbonylContact C-O 3.59Å; S52-I70 WeakPolarHBondContact CA-O 3.41Å; S52-I70 VanDerWaalsContact CB-O 3.26Å; S52-I70 WeakPolarHBondContact CB-O 3.43Å |
| 53 | E | 97.2 | Very high | 95.4 | Very high | 56 Ų | 56 | 73 Ų | 73 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.7 | 162.3 | -58.7 | -166.5 | 102.3 | 0 | 0 | 108.2 | K45 R48 F55 K69 I70 | K45-E53 WeakPolarHBondContact CE-OE1 3.33Å; K45-E53 IonicContact NZ-OE1 2.71Å; K45-E53 PolarHBondContact NZ-OE1 3.15Å; R48-E53 HydrophobicContact CG-CG 4.36Å; E53-F55 HydrophobicContact CB-CE2 3.62Å; E53-F55 HydrophobicContact CB-CZ 4.22Å; E53-K69 CarbonylContact O-C 3.56Å; E53-K69 WeakPolarHBondContact O-CA 3.46Å; E53-I70 PolarHBondContact N-O 2.78Å; E53-I70 PolarHBondContact O-N 3.38Å |
| 54 | V | 97.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 74 Ų | 74 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.2 | -170.4 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | L46 G47 V67 V68 K69 | L46-V54 HydrophobicContact CB-CG1 4.35Å; L46-V54 HydrophobicContact CD1-CG1 4.39Å; L46-V54 PolarHBondContact N-O 3.38Å; G47-V54 PolarHBondContact N-O 2.78Å; G47-V54 PolarHBondContact O-N 2.74Å; V54-V67 HydrophobicContact CG1-CG1 3.38Å; V54-V68 WeakPolarHBondContact CA-O 3.14Å; V54-K69 HydrophobicContact CG2-CB 4.44Å; V54-K69 HydrophobicContact CG2-CG 4.19Å |
| 55 | F | 98.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 73.3 Ų | 73.3 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.1 | -175.4 | -62.3 | -95.7 | 0 | 0 | 0 | 110.8 | L42 R44 K45 E53 V67 V68 I70 | L42-F55 HydrophobicContact CD1-CD1 4.38Å; L42-F55 HydrophobicContact CD1-CD2 4.5Å; L42-F55 HydrophobicContact CD1-CG 4.29Å; L42-F55 HydrophobicContact CD2-CB 4Å; L42-F55 HydrophobicContact CD2-CG 4.43Å; R44-F55 CarbonylContact O-C 3.53Å; R44-F55 VanDerWaalsContact O-CA 3.26Å; R44-F55 WeakPolarHBondContact O-CA 3.38Å; K45-F55 HydrophobicContact CB-CD1 3.88Å; K45-F55 HydrophobicContact CB-CE1 3.73Å; K45-F55 HydrophobicContact CD-CE1 4.19Å; K45-F55 HydrophobicContact CD-CZ 4.33Å; K45-F55 HydrophobicContact CG-CD1 4.18Å; K45-F55 HydrophobicContact CG-CE1 3.82Å; K45-F55 HydrophobicContact CG-CZ 4.19Å; E53-F55 HydrophobicContact CB-CE2 3.62Å; E53-F55 HydrophobicContact CB-CZ 4.22Å; F55-V67 CarbonylContact O-C 3.54Å; F55-V67 WeakPolarHBondContact O-CA 3.45Å; F55-V68 PolarHBondContact N-O 3.3Å; F55-V68 PolarHBondContact O-N 3.37Å; F55-I70 HydrophobicContact CD2-CD1 3.97Å; F55-I70 HydrophobicContact CD2-CG1 4.24Å; F55-I70 HydrophobicContact CE2-CD1 3.76Å; F55-I70 HydrophobicContact CE2-CG1 4.28Å |
| 56 | E | 98 | Very high | 95.5 | Very high | 22 Ų | 22 | 68.7 Ų | 68.7 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.3 | 158.4 | -179.1 | 175.8 | 174.3 | 0 | 0 | 107.3 | V43 R44 L46 K65 | V43-E56 PolarHBondContact N-O 2.69Å; R44-E56 HydrophobicContact CG-CB 3.99Å; R44-E56 IonicContact CZ-OE2 3.18Å; R44-E56 PolarHBondContact N-O 2.72Å; R44-E56 IonicContact NE-OE2 3.36Å; R44-E56 PolarHBondContact NE-OE2 3.18Å; R44-E56 IonicContact NH2-OE2 2.8Å; R44-E56 PolarHBondContact NH2-OE2 2.82Å; R44-E56 PolarHBondContact O-N 2.78Å; L46-E56 HydrophobicContact CD1-CB 4.09Å; L46-E56 HydrophobicContact CD2-CB 4.09Å; L46-E56 HydrophobicContact CG-CB 4.13Å; E56-K65 IonicContact OE1-NZ 3.39Å; E56-K65 PolarHBondContact OE1-NZ 3.49Å |
| 57 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 167.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | Q41 L42 V66 V68 | Q41-A57 CarbonylContact O-C 3.54Å; Q41-A57 WeakPolarHBondContact O-CA 3.15Å; Q41-A57 VanDerWaalsContact O-CB 3.28Å; Q41-A57 WeakPolarHBondContact O-CB 3.16Å; L42-A57 HydrophobicContact CD2-CB 3.97Å; A57-V66 HydrophobicContact CB-CG2 3.98Å; A57-V66 PolarHBondContact N-O 3.18Å; A57-V66 PolarHBondContact O-N 3.17Å; A57-V68 HydrophobicContact CB-CG2 3.6Å |
| 58 | I | 98.4 | Very high | 96 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.5 | 173.2 | -61.8 | 170.2 | 0 | 0 | 0 | 107.7 | Y40 Q41 V43 I60 E64 | Y40-I58 WeakPolarHBondContact CA-O 3.46Å; Q41-I58 PolarHBondContact N-O 3.44Å; Q41-I58 PolarHBondContact O-N 2.6Å; V43-I58 HydrophobicContact CG2-CD1 3.92Å; V43-I58 HydrophobicContact CG2-CG1 3.85Å; I58-I60 PolarHBondContact O-N 2.72Å; I58-E64 WeakPolarHBondContact CA-O 3.22Å |
| 59 | N | 98 | Very high | 96.3 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.3 | 167.3 | 179.5 | -23.1 | 0 | 0 | 0 | 108.6 | D39 Y40 N61 N62 N63 E64 | D39-N59 WeakPolarHBondContact O-CA 3.47Å; Y40-N59 HydrophobicContact CD1-CB 3.85Å; Y40-N59 HydrophobicContact CE1-CB 3.74Å; N59-N61 PolarHBondContact O-N 3.49Å; N59-N61 WeakPolarHBondContact OD1-CB 3.21Å; N59-N61 PolarHBondContact OD1-N 2.96Å; N59-N62 VanDerWaalsContact CB-OD1 3.26Å; N59-N62 WeakPolarHBondContact CB-OD1 3.37Å; N59-N62 VanDerWaalsContact CG-OD1 3.29Å; N59-N62 PolarHBondContact O-N 2.82Å; N59-N62 PolarHBondContact O-OD1 3.36Å; N59-N63 VanDerWaalsContact O-CA 3.22Å; N59-N63 WeakPolarHBondContact O-CA 3.48Å; N59-N63 PolarHBondContact O-N 3.12Å; N59-E64 PolarHBondContact N-O 3.25Å |
| 60 | I | 97.3 | Very high | 96.8 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -17.6 | -172.6 | 68.4 | -177.2 | 0 | 0 | 0 | 113 | E38 D39 Q41 I58 | E38-I60 WeakPolarHBondContact O-CD1 3.28Å; D39-I60 WeakPolarHBondContact O-CG1 3.4Å; D39-I60 PolarHBondContact O-N 3.41Å; Q41-I60 HydrophobicContact CB-CG2 3.97Å; I58-I60 PolarHBondContact O-N 2.72Å |
| 61 | N | 96.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 61% | 0.61 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -26.8 | -178.3 | -64 | -49.2 | 0 | 0 | 0 | 112.4 | D39 N59 | D39-N61 PolarHBondContact OD1-ND2 3.43Å; N59-N61 PolarHBondContact O-N 3.49Å; N59-N61 WeakPolarHBondContact OD1-CB 3.21Å; N59-N61 PolarHBondContact OD1-N 2.96Å |
| 62 | N | 96.7 | Very high | 97.5 | Very high | 78 Ų | 78 | 47.1 Ų | 47.1 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 1 | -176.6 | 70.1 | 2.6 | 0 | 0 | 0 | 114.6 | N59 E64 | N59-N62 VanDerWaalsContact CB-OD1 3.26Å; N59-N62 WeakPolarHBondContact CB-OD1 3.37Å; N59-N62 VanDerWaalsContact CG-OD1 3.29Å; N59-N62 PolarHBondContact O-N 2.82Å; N59-N62 PolarHBondContact O-OD1 3.36Å; N62-E64 VanDerWaalsContact ND2-CD 3.31Å; N62-E64 PolarHBondContact ND2-OE2 2.88Å; N62-E64 VanDerWaalsContact ND2-OE2 3.09Å; N62-E64 PolarHBondContact O-N 3.21Å; N62-E64 WeakPolarHBondContact OD1-CB 3.44Å; N62-E64 PolarHBondContact OD1-N 2.74Å |
| 63 | N | 96.5 | Very high | 97.4 | Very high | 132 Ų | 132 | 53.4 Ų | 53.4 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | trans | 59.1 | 18.5 | -176.2 | -66.6 | -40.3 | 0 | 0 | 0 | 115.4 | N59 | N59-N63 VanDerWaalsContact O-CA 3.22Å; N59-N63 WeakPolarHBondContact O-CA 3.48Å; N59-N63 PolarHBondContact O-N 3.12Å | ||
| 64 | E | 97.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | trans | -76.5 | 138 | 176 | -69.6 | -175.3 | 159.8 | 0 | 0 | 111.5 | I58 N59 N62 | I58-E64 WeakPolarHBondContact CA-O 3.22Å; N59-E64 PolarHBondContact N-O 3.25Å; N62-E64 VanDerWaalsContact ND2-CD 3.31Å; N62-E64 PolarHBondContact ND2-OE2 2.88Å; N62-E64 VanDerWaalsContact ND2-OE2 3.09Å; N62-E64 PolarHBondContact O-N 3.21Å; N62-E64 WeakPolarHBondContact OD1-CB 3.44Å; N62-E64 PolarHBondContact OD1-N 2.74Å | ||
| 65 | K | 97.8 | Very high | 97.1 | Very high | 128 Ų | 128 | 59.7 Ų | 59.7 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.2 | 170.1 | -69.7 | -170.4 | 178.1 | -161.6 | 0 | 110.4 | E56 C116 | E56-K65 IonicContact OE1-NZ 3.39Å; E56-K65 PolarHBondContact OE1-NZ 3.49Å; K65-C116 HydrophobicContact CB-CB 4.12Å; K65-C116 WeakPolarHBondContact O-CB 3.36Å |
| 66 | V | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 169.4 | 179.8 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | Y40 A57 V68 V113 F114 | Y40-V66 HydrophobicContact CD1-CG2 3.7Å; Y40-V66 HydrophobicContact CE1-CG2 4.13Å; A57-V66 HydrophobicContact CB-CG2 3.98Å; A57-V66 PolarHBondContact N-O 3.18Å; A57-V66 PolarHBondContact O-N 3.17Å; V66-V68 HydrophobicContact CG2-CG2 4.37Å; V66-V113 HydrophobicContact CB-CG1 3.77Å; V66-V113 HydrophobicContact CG1-CG1 4.15Å; V66-V113 HydrophobicContact CG2-CG1 3.78Å; V66-F114 WeakPolarHBondContact CA-O 3.09Å; V66-F114 WeakPolarHBondContact CB-O 3.48Å |
| 67 | V | 98.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.4 | 172.9 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | L46 V54 F55 V113 F114 C116 | L46-V67 HydrophobicContact CD1-CG1 4.32Å; L46-V67 HydrophobicContact CD1-CG2 4.06Å; V54-V67 HydrophobicContact CG1-CG1 3.38Å; F55-V67 CarbonylContact O-C 3.54Å; F55-V67 WeakPolarHBondContact O-CA 3.45Å; V67-V113 CarbonylContact O-C 3.57Å; V67-V113 WeakPolarHBondContact O-CA 3.38Å; V67-F114 HydrophobicContact CB-CB 4.4Å; V67-F114 PolarHBondContact N-O 3.16Å; V67-F114 PolarHBondContact O-N 3.06Å; V67-C116 HydrophobicContact CG2-CB 4.44Å |
| 68 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.3 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | L42 V54 F55 A57 V66 I70 A111 V113 | L42-V68 HydrophobicContact CD2-CB 3.99Å; L42-V68 HydrophobicContact CD2-CG1 4.22Å; L42-V68 HydrophobicContact CD2-CG2 4.1Å; V54-V68 WeakPolarHBondContact CA-O 3.14Å; F55-V68 PolarHBondContact N-O 3.3Å; F55-V68 PolarHBondContact O-N 3.37Å; A57-V68 HydrophobicContact CB-CG2 3.6Å; V66-V68 HydrophobicContact CG2-CG2 4.37Å; V68-I70 HydrophobicContact CG1-CG1 4Å; V68-A111 HydrophobicContact CG1-CB 3.84Å; V68-V113 HydrophobicContact CG2-CG2 4.39Å |
| 69 | K | 98.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 69.9 Ų | 69.9 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 97.6 | 172.8 | -177.8 | -178.6 | 174.5 | -177.4 | 0 | 108.8 | S52 E53 V54 L71 E82 A111 L112 F114 D176 | S52-K69 WeakPolarHBondContact OG-CE 3.33Å; E53-K69 CarbonylContact O-C 3.56Å; E53-K69 WeakPolarHBondContact O-CA 3.46Å; V54-K69 HydrophobicContact CG2-CB 4.44Å; V54-K69 HydrophobicContact CG2-CG 4.19Å; K69-L71 HydrophobicContact CD-CD2 4.27Å; K69-L71 HydrophobicContact CG-CD2 4.14Å; K69-L71 PolarHBondContact O-N 2.75Å; K69-E82 IonicContact NZ-OE1 3.96Å; K69-E82 PolarHBondContact NZ-OE1 3.07Å; K69-E82 IonicContact NZ-OE2 2.72Å; K69-A111 VanDerWaalsContact O-CA 3.28Å; K69-A111 WeakPolarHBondContact O-CA 3.48Å; K69-L112 HydrophobicContact CB-CB 4.45Å; K69-L112 PolarHBondContact N-O 3.08Å; K69-L112 PolarHBondContact O-N 3.36Å; K69-F114 HydrophobicContact CB-CD2 4.34Å; K69-F114 HydrophobicContact CB-CE2 3.81Å; K69-F114 HydrophobicContact CD-CE2 4.13Å; K69-D176 IonicContact NZ-OD1 3.49Å; K69-D176 PolarHBondContact NZ-OD1 3.23Å |
| 70 | I | 98.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 71.7 Ų | 71.7 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.4 | 174.7 | -55.6 | -178.2 | 0 | 0 | 0 | 108.5 | L42 S52 E53 F55 V68 T109 A111 | L42-I70 HydrophobicContact CD1-CD1 4.17Å; S52-I70 CarbonylContact C-O 3.59Å; S52-I70 WeakPolarHBondContact CA-O 3.41Å; S52-I70 VanDerWaalsContact CB-O 3.26Å; S52-I70 WeakPolarHBondContact CB-O 3.43Å; E53-I70 PolarHBondContact N-O 2.78Å; E53-I70 PolarHBondContact O-N 3.38Å; F55-I70 HydrophobicContact CD2-CD1 3.97Å; F55-I70 HydrophobicContact CD2-CG1 4.24Å; F55-I70 HydrophobicContact CE2-CD1 3.76Å; F55-I70 HydrophobicContact CE2-CG1 4.28Å; V68-I70 HydrophobicContact CG1-CG1 4Å; I70-T109 HydrophobicContact CG2-CG2 3.76Å; I70-A111 HydrophobicContact CB-CB 4.44Å; I70-A111 HydrophobicContact CG1-CB 4.12Å |
| 71 | L | 96.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.1 | -176.8 | -55.7 | 178.9 | 0 | 0 | 0 | 110.2 | K69 I79 T109 P110 L112 | K69-L71 HydrophobicContact CD-CD2 4.27Å; K69-L71 HydrophobicContact CG-CD2 4.14Å; K69-L71 PolarHBondContact O-N 2.75Å; L71-I79 HydrophobicContact CD1-CB 4.39Å; L71-I79 HydrophobicContact CD1-CD1 4.32Å; L71-I79 HydrophobicContact CD1-CG1 4.06Å; L71-I79 HydrophobicContact CD1-CG2 3.72Å; L71-T109 WeakPolarHBondContact O-CG2 3.18Å; L71-P110 HydrophobicContact CB-CG 4.3Å; L71-P110 WeakPolarHBondContact CB-O 3.36Å; L71-P110 HydrophobicContact CD1-CB 4.42Å; L71-P110 HydrophobicContact CD1-CG 4.33Å; L71-P110 PolarHBondContact N-O 2.94Å; L71-L112 HydrophobicContact CD1-CD1 4.43Å; L71-L112 HydrophobicContact CD1-CD2 4.44Å; L71-L112 HydrophobicContact CD1-CG 4.16Å; L71-L112 HydrophobicContact CD2-CD1 4.35Å; L71-L112 HydrophobicContact CD2-CG 4.42Å; L71-L112 HydrophobicContact CG-CG 4.45Å |
| 72 | K | 94.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 64 Ų | 64 | 21% | 0.213 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 162.1 | 172.4 | -69.6 | 176 | -180 | 168.7 | 0 | 110.3 | G49 K50 Y51 V74 | G49-K72 PolarHBondContact O-NZ 2.73Å; K50-K72 WeakPolarHBondContact O-CD 3.48Å; Y51-K72 WeakPolarHBondContact O-CB 3.32Å; Y51-K72 PolarHBondContact O-N 3.03Å; K72-V74 PolarHBondContact O-N 3.03Å |
| 73 | P | 94 | Very high | 96.9 | Very high | 139 Ų | 139 | 60.3 Ų | 60.3 | 90% | 0.903 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -52.9 | 108.2 | 175.3 | -28 | 36 | 0 | 0 | 0 | 112.2 | ||
| 74 | V | 93.5 | Very high | 97 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | trans | -137.8 | 164.3 | 177 | -65.2 | 0 | 0 | 0 | 0 | 109.6 | Y51 K72 K76 I79 | Y51-V74 HydrophobicContact CD1-CG1 3.72Å; Y51-V74 HydrophobicContact CG-CG1 4.42Å; K72-V74 PolarHBondContact O-N 3.03Å; V74-K76 PolarHBondContact O-N 3.11Å; V74-I79 HydrophobicContact CG2-CD1 3.91Å; V74-I79 HydrophobicContact CG2-CG1 3.62Å | ||
| 75 | K | 94.1 | Very high | 97.1 | Very high | 179 Ų | 179 | 50.5 Ų | 50.5 | 78% | 0.778 | 24% | 0.241 | S | C | * | . | trans | -56.3 | 131.6 | 176.8 | -65.7 | -173.9 | 178 | -175.1 | 0 | 110.3 | K77 K78 | K75-K77 PolarHBondContact O-N 3.36Å; K75-K77 VanDerWaalsContact O-N 3.11Å; K75-K78 WeakPolarHBondContact O-CB 3.29Å; K75-K78 PolarHBondContact O-N 3.19Å | ||
| 76 | K | 94.4 | Very high | 97.1 | Very high | 174 Ų | 174 | 44.5 Ų | 44.5 | 76% | 0.757 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -50.9 | -38.1 | 177.6 | -69.5 | -177.9 | 179.1 | 176.6 | 0 | 112.7 | V74 K78 I79 K80 | V74-K76 PolarHBondContact O-N 3.11Å; K76-K78 PolarHBondContact O-N 2.86Å; K76-I79 WeakPolarHBondContact O-CB 3.29Å; K76-I79 PolarHBondContact O-N 2.72Å; K76-I79 VanDerWaalsContact O-N 3.08Å; K76-K80 PolarHBondContact O-N 3.19Å |
| 77 | K | 95.6 | Very high | 97.1 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -50.6 | -41.8 | 174.1 | 179.9 | 173.1 | 176.4 | 165.7 | 0 | 112.8 | Y27 E28 K75 R81 | Y27-K77 HydrophobicContact CD2-CG 4.34Å; Y27-K77 HydrophobicContact CE2-CD 4.19Å; Y27-K77 VanDerWaalsContact CE2-CE 3.49Å; Y27-K77 HydrophobicContact CE2-CG 3.6Å; Y27-K77 WeakPolarHBondContact OH-CE 3.39Å; E28-K77 HydrophobicContact CG-CD 4.06Å; E28-K77 HydrophobicContact CG-CG 4.05Å; E28-K77 WeakPolarHBondContact OE1-CD 3.47Å; E28-K77 WeakPolarHBondContact OE1-CE 3.45Å; E28-K77 IonicContact OE1-NZ 2.7Å; E28-K77 PolarHBondContact OE1-NZ 3.11Å; K75-K77 PolarHBondContact O-N 3.36Å; K75-K77 VanDerWaalsContact O-N 3.11Å; K77-R81 WeakPolarHBondContact O-CB 3.18Å; K77-R81 PolarHBondContact O-N 2.58Å |
| 78 | K | 96.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.2 | -39.5 | 179.4 | -172 | 176.3 | 179.3 | 179.3 | 0 | 112.2 | K75 K76 R81 E82 G178 | K75-K78 WeakPolarHBondContact O-CB 3.29Å; K75-K78 PolarHBondContact O-N 3.19Å; K76-K78 PolarHBondContact O-N 2.86Å; K78-R81 PolarHBondContact O-N 3.35Å; K78-E82 PolarHBondContact O-N 3Å; K78-G178 WeakPolarHBondContact CE-O 3.45Å |
| 79 | I | 97.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -48.7 | 178 | -56.2 | 178.4 | 0 | 0 | 0 | 109.9 | W34 L71 V74 K76 R81 E82 I83 P110 | W34-I79 HydrophobicContact CH2-CG2 4.03Å; W34-I79 HydrophobicContact CZ2-CG2 4.47Å; L71-I79 HydrophobicContact CD1-CB 4.39Å; L71-I79 HydrophobicContact CD1-CD1 4.32Å; L71-I79 HydrophobicContact CD1-CG1 4.06Å; L71-I79 HydrophobicContact CD1-CG2 3.72Å; V74-I79 HydrophobicContact CG2-CD1 3.91Å; V74-I79 HydrophobicContact CG2-CG1 3.62Å; K76-I79 WeakPolarHBondContact O-CB 3.29Å; K76-I79 PolarHBondContact O-N 2.72Å; K76-I79 VanDerWaalsContact O-N 3.08Å; I79-R81 VanDerWaalsContact C-N 3.3Å; I79-R81 PolarHBondContact O-N 3.25Å; I79-E82 PolarHBondContact O-N 3.14Å; I79-I83 HydrophobicContact CG2-CD1 3.84Å; I79-I83 WeakPolarHBondContact O-CG1 3.3Å; I79-I83 PolarHBondContact O-N 2.9Å; I79-P110 HydrophobicContact CD1-CG 3.74Å |
| 80 | K | 98.4 | Very high | 97 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.1 | -65.7 | -172.8 | 174.8 | -157.7 | 0 | 112.1 | Y27 E28 H30 K76 K84 | Y27-K80 WeakPolarHBondContact O-CB 3.38Å; Y27-K80 VanDerWaalsContact O-CD 3.3Å; Y27-K80 WeakPolarHBondContact O-CD 3.4Å; E28-K80 PolarHBondContact O-NZ 2.9Å; H30-K80 VanDerWaalsContact O-CD 3.31Å; H30-K80 WeakPolarHBondContact O-CD 3.42Å; H30-K80 WeakPolarHBondContact O-CE 3.47Å; H30-K80 PolarHBondContact O-NZ 3.26Å; K76-K80 PolarHBondContact O-N 3.19Å; K80-K84 WeakPolarHBondContact O-CB 3.31Å; K80-K84 PolarHBondContact O-N 2.8Å |
| 81 | R | 98.6 | Very high | 97 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -50 | 175.9 | -171.1 | -179.3 | 64.3 | -166 | 5.9 | 112.1 | Y27 K77 K78 I79 K84 I85 G178 A180 E181 | Y27-R81 HydrophobicContact CD1-CB 4.26Å; Y27-R81 HydrophobicContact CD1-CG 3.92Å; Y27-R81 HydrophobicContact CD2-CB 3.59Å; Y27-R81 HydrophobicContact CD2-CG 4.13Å; Y27-R81 HydrophobicContact CE1-CB 4.39Å; Y27-R81 HydrophobicContact CE1-CG 3.88Å; Y27-R81 HydrophobicContact CE2-CB 3.72Å; Y27-R81 HydrophobicContact CE2-CG 4.06Å; Y27-R81 HydrophobicContact CG-CB 3.87Å; Y27-R81 HydrophobicContact CG-CG 4.05Å; K77-R81 WeakPolarHBondContact O-CB 3.18Å; K77-R81 PolarHBondContact O-N 2.58Å; K78-R81 PolarHBondContact O-N 3.35Å; I79-R81 VanDerWaalsContact C-N 3.3Å; I79-R81 PolarHBondContact O-N 3.25Å; R81-K84 PolarHBondContact O-N 3.48Å; R81-I85 HydrophobicContact CG-CD1 3.88Å; R81-I85 WeakPolarHBondContact O-CB 3.46Å; R81-I85 WeakPolarHBondContact O-CG1 3.23Å; R81-I85 PolarHBondContact O-N 3.11Å; R81-G178 PolarHBondContact NH2-O 2.88Å; R81-G178 VanDerWaalsContact NH2-O 3.09Å; R81-A180 WeakPolarHBondContact CD-O 3.39Å; R81-A180 PolarHBondContact NE-O 2.92Å; R81-E181 VanDerWaalsContact CD-CD 3.47Å; R81-E181 WeakPolarHBondContact CD-OE1 3.14Å; R81-E181 VanDerWaalsContact CD-OE2 3.3Å; R81-E181 WeakPolarHBondContact CD-OE2 3.37Å; R81-E181 IonicContact CZ-OE2 3.47Å; R81-E181 IonicContact NE-OE2 3.89Å; R81-E181 IonicContact NH1-OE2 3.03Å; R81-E181 PolarHBondContact NH1-OE2 2.62Å |
| 82 | E | 98.6 | Very high | 97 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | -179.8 | -175.9 | 170.7 | 178 | 0 | 0 | 111.5 | K69 K78 I79 L86 L112 G178 | K69-E82 IonicContact NZ-OE1 3.96Å; K69-E82 PolarHBondContact NZ-OE1 3.07Å; K69-E82 IonicContact NZ-OE2 2.72Å; K78-E82 PolarHBondContact O-N 3Å; I79-E82 PolarHBondContact O-N 3.14Å; E82-L86 HydrophobicContact CG-CD1 3.94Å; E82-L86 WeakPolarHBondContact O-CB 3.25Å; E82-L86 WeakPolarHBondContact O-CD1 3.24Å; E82-L86 VanDerWaalsContact O-CG 3.28Å; E82-L86 WeakPolarHBondContact O-CG 3.19Å; E82-L86 PolarHBondContact O-N 2.84Å; E82-L112 HydrophobicContact CG-CD1 3.96Å; E82-G178 WeakPolarHBondContact OE2-CA 3.18Å |
| 83 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -51 | 176.4 | -67 | 169.7 | 0 | 0 | 0 | 110.6 | P32 W34 I79 I85 L86 E87 T101 L112 | P32-I83 HydrophobicContact CB-CD1 3.89Å; P32-I83 HydrophobicContact CB-CG2 4.23Å; P32-I83 HydrophobicContact CG-CD1 3.78Å; P32-I83 HydrophobicContact CG-CG2 4.34Å; W34-I83 HydrophobicContact CH2-CD1 3.57Å; W34-I83 HydrophobicContact CZ2-CD1 3.91Å; W34-I83 HydrophobicContact CZ3-CD1 4.35Å; I79-I83 HydrophobicContact CG2-CD1 3.84Å; I79-I83 WeakPolarHBondContact O-CG1 3.3Å; I79-I83 PolarHBondContact O-N 2.9Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 3.17Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-L86 VanDerWaalsContact O-N 3.11Å; I83-E87 HydrophobicContact CG2-CG 4.19Å; I83-E87 WeakPolarHBondContact O-CG 3.37Å; I83-E87 PolarHBondContact O-N 3.27Å; I83-T101 HydrophobicContact CD1-CG2 3.97Å; I83-T101 HydrophobicContact CG1-CG2 3.99Å; I83-T101 HydrophobicContact CG2-CG2 4.08Å; I83-L112 HydrophobicContact CD1-CD2 4.01Å; I83-L112 HydrophobicContact CG1-CD2 3.63Å |
| 84 | K | 98.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -39.3 | -176.2 | -175.6 | 54.3 | 175.7 | 168.6 | 0 | 112.3 | E23 Y24 K80 R81 N88 F182 | E23-K84 WeakPolarHBondContact O-CE 3.44Å; E23-K84 PolarHBondContact O-NZ 2.88Å; E23-K84 VanDerWaalsContact O-NZ 3.15Å; Y24-K84 WeakPolarHBondContact O-CE 3.34Å; K80-K84 WeakPolarHBondContact O-CB 3.31Å; K80-K84 PolarHBondContact O-N 2.8Å; R81-K84 PolarHBondContact O-N 3.48Å; K84-N88 WeakPolarHBondContact CE-OD1 3.42Å; K84-N88 PolarHBondContact NZ-OD1 3.19Å; K84-N88 WeakPolarHBondContact O-CB 3.48Å; K84-N88 PolarHBondContact O-N 2.8Å; K84-N88 PolarHBondContact O-OD1 2.85Å; K84-F182 HydrophobicContact CG-CE2 4.45Å; K84-F182 HydrophobicContact CG-CZ 4.16Å |
| 85 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 173.8 | -76.3 | 174.7 | 0 | 0 | 0 | 110.7 | R81 I83 E87 N88 L89 I153 W177 A180 F182 | R81-I85 HydrophobicContact CG-CD1 3.88Å; R81-I85 WeakPolarHBondContact O-CB 3.46Å; R81-I85 WeakPolarHBondContact O-CG1 3.23Å; R81-I85 PolarHBondContact O-N 3.11Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 3.17Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 2.91Å; I85-N88 PolarHBondContact O-N 3.11Å; I85-L89 HydrophobicContact CG2-CD1 3.75Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CB 3.48Å; I85-L89 VanDerWaalsContact O-CG 3.29Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 3.04Å; I85-I153 HydrophobicContact CD1-CG2 4.18Å; I85-I153 HydrophobicContact CG1-CD1 4.24Å; I85-I153 HydrophobicContact CG1-CG1 4.39Å; I85-I153 HydrophobicContact CG1-CG2 4.37Å; I85-I153 HydrophobicContact CG2-CD1 4.22Å; I85-I153 HydrophobicContact CG2-CG2 3.94Å; I85-W177 HydrophobicContact CG2-CB 4.13Å; I85-W177 HydrophobicContact CG2-CD2 4.24Å; I85-W177 HydrophobicContact CG2-CE3 3.75Å; I85-W177 HydrophobicContact CG2-CG 4.41Å; I85-A180 HydrophobicContact CD1-CB 3.66Å; I85-A180 HydrophobicContact CG2-CB 4.2Å; I85-F182 HydrophobicContact CD1-CD2 4.43Å; I85-F182 HydrophobicContact CD1-CE2 4.14Å; I85-F182 HydrophobicContact CG1-CD2 4.26Å; I85-F182 HydrophobicContact CG1-CE1 4.46Å; I85-F182 HydrophobicContact CG1-CE2 3.54Å; I85-F182 HydrophobicContact CG1-CZ 3.66Å |
| 86 | L | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -38.2 | 179.4 | -76.6 | 166.6 | 0 | 0 | 0 | 112.8 | E82 I83 L89 R90 I96 L98 L112 F114 W177 | E82-L86 HydrophobicContact CG-CD1 3.94Å; E82-L86 WeakPolarHBondContact O-CB 3.25Å; E82-L86 WeakPolarHBondContact O-CD1 3.24Å; E82-L86 VanDerWaalsContact O-CG 3.28Å; E82-L86 WeakPolarHBondContact O-CG 3.19Å; E82-L86 PolarHBondContact O-N 2.84Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-L86 VanDerWaalsContact O-N 3.11Å; L86-L89 PolarHBondContact O-N 3.25Å; L86-R90 PolarHBondContact O-N 3.4Å; L86-R90 VanDerWaalsContact O-N 3.07Å; L86-I96 HydrophobicContact CD2-CG2 4.12Å; L86-L98 HydrophobicContact CB-CB 4.06Å; L86-L98 HydrophobicContact CB-CD2 3.8Å; L86-L98 HydrophobicContact CB-CG 4.5Å; L86-L98 HydrophobicContact CD1-CD1 4.31Å; L86-L98 HydrophobicContact CD1-CD2 4.32Å; L86-L112 HydrophobicContact CD1-CD1 4.08Å; L86-F114 HydrophobicContact CD1-CE1 3.69Å; L86-F114 HydrophobicContact CD1-CZ 3.82Å; L86-F114 HydrophobicContact CD2-CE1 4.02Å; L86-W177 HydrophobicContact CD2-CB 4.2Å; L86-W177 VanDerWaalsContact CD2-CD1 3.41Å; L86-W177 HydrophobicContact CD2-CG 3.87Å; L86-W177 HydrophobicContact CG-CB 4.24Å; L86-W177 HydrophobicContact CG-CG 4.4Å |
| 87 | E | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 173.2 | -73.9 | 178.3 | 168.7 | 0 | 0 | 111.4 | H30 I83 I85 L89 R90 | H30-E87 IonicContact CE1-OE1 2.75Å; H30-E87 IonicContact CE1-OE2 3.92Å; H30-E87 PolarHBondContact CE1-OE2 2.77Å; H30-E87 IonicContact ND1-OE2 3.53Å; H30-E87 IonicContact NE2-OE1 3.36Å; H30-E87 IonicContact NE2-OE2 3.04Å; H30-E87 PolarHBondContact NE2-OE2 3.43Å; I83-E87 HydrophobicContact CG2-CG 4.19Å; I83-E87 WeakPolarHBondContact O-CG 3.37Å; I83-E87 PolarHBondContact O-N 3.27Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 2.91Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.66Å; E87-R90 VanDerWaalsContact O-CB 3.3Å; E87-R90 WeakPolarHBondContact O-CB 3.43Å; E87-R90 PolarHBondContact O-N 2.9Å |
| 88 | N | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -31.3 | 179.9 | -71 | -3.8 | 0 | 0 | 0 | 112.4 | Y24 K84 I85 M151 I153 F182 | Y24-N88 HydrophobicContact CE2-CB 3.93Å; Y24-N88 WeakPolarHBondContact CE2-ND2 3.37Å; Y24-N88 PolarHBondContact O-ND2 3.34Å; K84-N88 WeakPolarHBondContact CE-OD1 3.42Å; K84-N88 PolarHBondContact NZ-OD1 3.19Å; K84-N88 WeakPolarHBondContact O-CB 3.48Å; K84-N88 PolarHBondContact O-N 2.8Å; K84-N88 PolarHBondContact O-OD1 2.85Å; I85-N88 PolarHBondContact O-N 3.11Å; N88-M151 WeakPolarHBondContact O-CE 3.5Å; N88-I153 HydrophobicContact CB-CD1 4.4Å; N88-F182 WeakPolarHBondContact ND2-CE1 3.46Å; N88-F182 WeakPolarHBondContact ND2-CZ 3.36Å |
| 89 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.4 | 179.8 | -62.6 | 177.6 | 0 | 0 | 0 | 113.8 | I85 L86 E87 G91 G92 I95 Y147 C148 M151 I153 W177 | I85-L89 HydrophobicContact CG2-CD1 3.75Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CB 3.48Å; I85-L89 VanDerWaalsContact O-CG 3.29Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 3.04Å; L86-L89 PolarHBondContact O-N 3.25Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.66Å; L89-G91 PolarHBondContact O-N 3.44Å; L89-G92 PolarHBondContact O-N 2.99Å; L89-I95 HydrophobicContact CB-CG2 3.94Å; L89-Y147 HydrophobicContact CB-CE1 4.36Å; L89-Y147 HydrophobicContact CD2-CD1 4.05Å; L89-Y147 HydrophobicContact CD2-CE1 3.85Å; L89-C148 HydrophobicContact CD1-CB 3.98Å; L89-C148 HydrophobicContact CD2-CB 3.9Å; L89-M151 HydrophobicContact CD2-CB 3.67Å; L89-M151 HydrophobicContact CD2-CG 4.04Å; L89-I153 HydrophobicContact CD1-CD1 4.15Å; L89-I153 HydrophobicContact CD1-CG2 4.34Å; L89-I153 HydrophobicContact CD2-CD1 3.79Å; L89-I153 HydrophobicContact CG-CD1 3.8Å; L89-W177 HydrophobicContact CD1-CD2 3.99Å; L89-W177 HydrophobicContact CD1-CE3 3.51Å; L89-W177 HydrophobicContact CD1-CH2 3.55Å; L89-W177 HydrophobicContact CD1-CZ2 4.01Å; L89-W177 HydrophobicContact CD1-CZ3 3.27Å |
| 90 | R | 96.8 | Very high | 98.3 | Very high | 153 Ų | 153 | 35.1 Ų | 35.1 | 58% | 0.577 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 130.6 | -178.2 | -176 | 178.3 | 175.6 | 174.1 | 1.5 | 110.8 | L86 E87 G92 | L86-R90 PolarHBondContact O-N 3.4Å; L86-R90 VanDerWaalsContact O-N 3.07Å; E87-R90 VanDerWaalsContact O-CB 3.3Å; E87-R90 WeakPolarHBondContact O-CB 3.43Å; E87-R90 PolarHBondContact O-N 2.9Å; R90-G92 VanDerWaalsContact C-N 3.27Å |
| 91 | G | 96.7 | Very high | 98.3 | Very high | 75 Ų | 75 | 33 Ų | 33 | 77% | 0.773 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -4.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L89 | L89-G91 PolarHBondContact O-N 3.44Š|
| 92 | G | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | trans | -62.8 | 145.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L89 R90 N94 I95 | L89-G92 PolarHBondContact O-N 2.99Å; R90-G92 VanDerWaalsContact C-N 3.27Å; G92-N94 PolarHBondContact O-N 3.38Å; G92-I95 PolarHBondContact O-N 2.94Å | ||
| 93 | T | 98 | Very high | 98.2 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 44% | 0.442 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 124 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | I95 K143 A144 | T93-I95 PolarHBondContact O-N 3.48Å; T93-I95 VanDerWaalsContact O-N 3.09Å; T93-K143 HydrophobicContact CG2-CB 3.91Å; T93-K143 HydrophobicContact CG2-CD 4.03Å; T93-A144 WeakPolarHBondContact O-CA 3.25Å |
| 94 | N | 98.6 | Very high | 98.1 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 19.8 | 178.3 | -59.6 | -27.9 | 0 | 0 | 0 | 115.2 | G92 E140 A144 L172 R173 L174 | G92-N94 PolarHBondContact O-N 3.38Å; N94-E140 PolarHBondContact ND2-O 3.21Å; N94-E140 PolarHBondContact ND2-OE2 3.43Å; N94-A144 HydrophobicContact CB-CB 4.06Å; N94-L172 HydrophobicContact CB-CD2 4.13Å; N94-L172 WeakPolarHBondContact CB-O 3.37Å; N94-L172 PolarHBondContact OD1-O 3.28Å; N94-R173 CarbonylContact O-C 3.6Å; N94-R173 WeakPolarHBondContact O-CA 3.38Å; N94-R173 PolarHBondContact OD1-NH1 3.45Å; N94-L174 PolarHBondContact O-N 2.97Å |
| 95 | I | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -88.9 | 135.1 | 169.3 | -51.8 | -63.4 | 0 | 0 | 0 | 109 | L89 G92 T93 R97 A144 Y147 R173 W177 | L89-I95 HydrophobicContact CB-CG2 3.94Å; G92-I95 PolarHBondContact O-N 2.94Å; T93-I95 PolarHBondContact O-N 3.48Å; T93-I95 VanDerWaalsContact O-N 3.09Å; I95-R97 PolarHBondContact O-N 3.24Å; I95-A144 HydrophobicContact CD1-CB 3.99Å; I95-Y147 HydrophobicContact CD1-CD1 4.35Å; I95-Y147 HydrophobicContact CG1-CD1 3.91Å; I95-Y147 HydrophobicContact CG1-CE1 4.38Å; I95-R173 WeakPolarHBondContact O-CD 3.42Å; I95-W177 HydrophobicContact CD1-CH2 3.7Å; I95-W177 HydrophobicContact CD1-CZ2 3.43Å; I95-W177 VanDerWaalsContact CD1-CZ2 3.43Å; I95-W177 HydrophobicContact CG2-CZ2 3.93Å |
| 96 | I | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 129.6 | 174 | -169.1 | 67.3 | 0 | 0 | 0 | 111.5 | L86 L98 F114 E115 I117 R173 L174 I175 | L86-I96 HydrophobicContact CD2-CG2 4.12Å; I96-L98 PolarHBondContact O-N 3.46Å; I96-F114 HydrophobicContact CD1-CB 4.49Å; I96-F114 HydrophobicContact CG1-CB 4.08Å; I96-F114 HydrophobicContact CG1-CD1 3.81Å; I96-F114 HydrophobicContact CG1-CG 4.2Å; I96-F114 HydrophobicContact CG2-CD1 4.19Å; I96-F114 HydrophobicContact CG2-CE1 4.24Å; I96-E115 HydrophobicContact CD1-CG 3.56Å; I96-E115 HydrophobicContact CG1-CG 4.44Å; I96-I117 HydrophobicContact CD1-CD1 4.34Å; I96-I117 HydrophobicContact CD1-CG1 3.85Å; I96-R173 HydrophobicContact CD1-CB 4.29Å; I96-R173 HydrophobicContact CD1-CG 4.3Å; I96-L174 WeakPolarHBondContact CG2-O 3.4Å; I96-L174 PolarHBondContact N-O 3.41Å; I96-I175 HydrophobicContact CB-CG2 3.87Å; I96-I175 HydrophobicContact CD1-CG2 4.12Å; I96-I175 HydrophobicContact CG1-CG2 4.03Å; I96-I175 HydrophobicContact CG2-CB 4.43Å; I96-I175 HydrophobicContact CG2-CG2 4.27Å |
| 97 | R | 97.9 | Very high | 97.6 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 36% | 0.362 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 116.2 | 178.4 | -173 | 172.1 | 64.4 | 107.5 | -2.8 | 111.4 | I95 V99 F114 E115 | I95-R97 PolarHBondContact O-N 3.24Å; R97-V99 PolarHBondContact O-N 3.42Å; R97-F114 WeakPolarHBondContact O-CA 3.4Å; R97-E115 HydrophobicContact CB-CB 4.29Å; R97-E115 HydrophobicContact CB-CG 3.92Å; R97-E115 WeakPolarHBondContact CB-OE1 3.48Å; R97-E115 PolarHBondContact N-OE1 3.42Å; R97-E115 IonicContact NE-OE2 2.93Å; R97-E115 PolarHBondContact O-N 3.17Å; R97-E115 VanDerWaalsContact O-N 3.12Å |
| 98 | L | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 117.6 | 161.6 | -178.6 | 69 | 0 | 0 | 0 | 108.5 | L86 I96 D100 T101 L112 F114 | L86-L98 HydrophobicContact CB-CB 4.06Å; L86-L98 HydrophobicContact CB-CD2 3.8Å; L86-L98 HydrophobicContact CB-CG 4.5Å; L86-L98 HydrophobicContact CD1-CD1 4.31Å; L86-L98 HydrophobicContact CD1-CD2 4.32Å; I96-L98 PolarHBondContact O-N 3.46Å; L98-D100 WeakPolarHBondContact CD1-O 3.43Å; L98-T101 HydrophobicContact CD1-CG2 4.36Å; L98-T101 HydrophobicContact CD2-CG2 4.03Å; L98-L112 HydrophobicContact CD1-CB 3.99Å; L98-L112 HydrophobicContact CD1-CD2 4.44Å; L98-F114 HydrophobicContact CB-CD1 4.42Å; L98-F114 HydrophobicContact CB-CE1 4.27Å; L98-F114 HydrophobicContact CD1-CD1 4.29Å; L98-F114 HydrophobicContact CD1-CE1 3.87Å; L98-F114 HydrophobicContact CD1-CZ 4.18Å |
| 99 | V | 97.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -47.3 | 179.4 | 175.4 | 0 | 0 | 0 | 0 | 110 | R97 V113 | R97-V99 PolarHBondContact O-N 3.42Å; V99-V113 HydrophobicContact CB-CB 4.5Å; V99-V113 HydrophobicContact CB-CG1 4.26Å; V99-V113 WeakPolarHBondContact CB-O 3.33Å; V99-V113 PolarHBondContact N-O 3.48Å |
| 100 | D | 98.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 160.2 | -173.4 | -163.2 | 6.7 | 0 | 0 | 0 | 111.7 | S35 Y40 L98 V102 V113 | S35-D100 WeakPolarHBondContact CB-OD1 3.36Å; S35-D100 VanDerWaalsContact CB-OD2 3.31Å; S35-D100 WeakPolarHBondContact CB-OD2 3.04Å; S35-D100 PolarHBondContact OG-OD1 3.25Å; S35-D100 PolarHBondContact OG-OD2 3.46Å; Y40-D100 VanDerWaalsContact OH-CB 3.25Å; Y40-D100 WeakPolarHBondContact OH-CB 3.5Å; Y40-D100 PolarHBondContact OH-OD2 3.35Å; L98-D100 WeakPolarHBondContact CD1-O 3.43Å; D100-V102 HydrophobicContact CB-CG1 4.41Å; D100-V102 WeakPolarHBondContact OD2-CG1 3.35Å; D100-V113 HydrophobicContact CB-CB 4.01Å; D100-V113 HydrophobicContact CB-CG2 4.16Å; D100-V113 PolarHBondContact N-O 2.88Å; D100-V113 PolarHBondContact O-N 3.5Å |
| 101 | T | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114 | 173.6 | 41.9 | 0 | 0 | 0 | 0 | 108.5 | S33 W34 S35 I83 L98 L112 | S33-T101 PolarHBondContact O-OG1 2.89Å; W34-T101 CarbonylContact C-O 3.53Å; W34-T101 WeakPolarHBondContact CA-O 3.49Å; S35-T101 PolarHBondContact N-O 3.27Å; I83-T101 HydrophobicContact CD1-CG2 3.97Å; I83-T101 HydrophobicContact CG1-CG2 3.99Å; I83-T101 HydrophobicContact CG2-CG2 4.08Å; L98-T101 HydrophobicContact CD1-CG2 4.36Å; L98-T101 HydrophobicContact CD2-CG2 4.03Å; T101-L112 HydrophobicContact CG2-CD2 3.85Å |
| 102 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 158 | -170.4 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | W34 S35 Q37 Y40 D100 P110 A111 V113 | W34-V102 VanDerWaalsContact CE3-O 3.27Å; W34-V102 WeakPolarHBondContact CZ3-O 3.33Å; S35-V102 WeakPolarHBondContact O-CA 3.31Å; Q37-V102 HydrophobicContact CB-CB 4.08Å; Q37-V102 HydrophobicContact CB-CG2 3.89Å; Q37-V102 HydrophobicContact CG-CG2 3.93Å; Y40-V102 HydrophobicContact CD2-CG1 3.97Å; Y40-V102 HydrophobicContact CE2-CG1 3.51Å; D100-V102 HydrophobicContact CB-CG1 4.41Å; D100-V102 WeakPolarHBondContact OD2-CG1 3.35Å; V102-P110 WeakPolarHBondContact O-CA 3.4Å; V102-A111 HydrophobicContact CG2-CB 3.74Å; V102-A111 PolarHBondContact N-O 2.97Å; V102-A111 PolarHBondContact O-N 3.03Å; V102-V113 HydrophobicContact CG1-CG2 3.88Å; V102-V113 HydrophobicContact CG2-CG2 4.02Å |
| 103 | K | 97.7 | Very high | 97.5 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 19% | 0.191 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.4 | 165.5 | -85.4 | 170.8 | 180 | 155.4 | 0 | 110.2 | W34 S35 Q37 T109 P110 | W34-K103 HydrophobicContact CB-CD 4.15Å; W34-K103 HydrophobicContact CB-CG 4.45Å; W34-K103 VanDerWaalsContact CD1-NZ 3.26Å; W34-K103 HydrophobicContact CD2-CD 3.75Å; W34-K103 VanDerWaalsContact CD2-CE 3.43Å; W34-K103 HydrophobicContact CD2-CG 3.9Å; W34-K103 VanDerWaalsContact CE2-CE 3.45Å; W34-K103 HydrophobicContact CE3-CD 4.06Å; W34-K103 HydrophobicContact CE3-CG 3.65Å; W34-K103 HydrophobicContact CG-CD 3.78Å; W34-K103 HydrophobicContact CG-CG 4.25Å; W34-K103 HydrophobicContact CZ3-CG 4.2Å; S35-K103 PolarHBondContact O-N 2.92Å; Q37-K103 WeakPolarHBondContact CB-O 3.43Å; Q37-K103 PolarHBondContact N-O 3.41Å; Q37-K103 VanDerWaalsContact N-O 3.16Å; K103-T109 WeakPolarHBondContact CA-O 3.3Å; K103-P110 HydrophobicContact CG-CB 4.22Å |
| 104 | D | 96.4 | Very high | 97.6 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | trans | -60.4 | 126 | 163.9 | -179.3 | -104.9 | 0 | 0 | 0 | 109.5 | V106 S107 R108 T109 | D104-V106 PolarHBondContact O-N 3.07Å; D104-V106 PolarHBondContact OD1-N 2.93Å; D104-S107 WeakPolarHBondContact CB-OG 3.34Å; D104-S107 VanDerWaalsContact CG-OG 3.27Å; D104-S107 WeakPolarHBondContact OD1-CA 3.09Å; D104-S107 VanDerWaalsContact OD1-CB 3.23Å; D104-S107 WeakPolarHBondContact OD1-CB 3.08Å; D104-S107 PolarHBondContact OD1-N 2.94Å; D104-S107 PolarHBondContact OD1-OG 3.21Å; D104-R108 WeakPolarHBondContact O-CA 3.12Å; D104-R108 PolarHBondContact O-N 3.08Å; D104-T109 PolarHBondContact N-O 3.33Å | ||
| 105 | P | 94.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.3 | -172.7 | 22.3 | -30.8 | 0 | 0 | 0 | 112.5 | E38 | E38-P105 HydrophobicContact CG-CG 3.99Š|
| 106 | V | 95.6 | Very high | 97.4 | Very high | 129 Ų | 129 | 40.8 Ų | 40.8 | 78% | 0.782 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -62 | -176.3 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | D104 R108 | D104-V106 PolarHBondContact O-N 3.07Å; D104-V106 PolarHBondContact OD1-N 2.93Å; V106-R108 VanDerWaalsContact C-N 3.3Å; V106-R108 PolarHBondContact O-N 3.34Å |
| 107 | S | 95.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.7 | -176.7 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | D104 T109 | D104-S107 WeakPolarHBondContact CB-OG 3.34Å; D104-S107 VanDerWaalsContact CG-OG 3.27Å; D104-S107 WeakPolarHBondContact OD1-CA 3.09Å; D104-S107 VanDerWaalsContact OD1-CB 3.23Å; D104-S107 WeakPolarHBondContact OD1-CB 3.08Å; D104-S107 PolarHBondContact OD1-N 2.94Å; D104-S107 PolarHBondContact OD1-OG 3.21Å; S107-T109 PolarHBondContact O-N 3.45Å; S107-T109 VanDerWaalsContact O-N 3.14Å; S107-T109 WeakPolarHBondContact OG-CB 3.5Å; S107-T109 PolarHBondContact OG-N 3.3Å; S107-T109 PolarHBondContact OG-OG1 3.3Å |
| 108 | R | 95.4 | Very high | 96.9 | Very high | 156 Ų | 156 | 42.5 Ų | 42.5 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | trans | 60.1 | 16.9 | -174.3 | -52.8 | -65 | -68.4 | 171.1 | -4.9 | 113.6 | D104 V106 | D104-R108 WeakPolarHBondContact O-CA 3.12Å; D104-R108 PolarHBondContact O-N 3.08Å; V106-R108 VanDerWaalsContact C-N 3.3Å; V106-R108 PolarHBondContact O-N 3.34Å | ||
| 109 | T | 96.9 | Very high | 96.5 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | trans | -67.8 | 125.1 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 109.3 | I70 L71 K103 D104 S107 | I70-T109 HydrophobicContact CG2-CG2 3.76Å; L71-T109 WeakPolarHBondContact O-CG2 3.18Å; K103-T109 WeakPolarHBondContact CA-O 3.3Å; D104-T109 PolarHBondContact N-O 3.33Å; S107-T109 PolarHBondContact O-N 3.45Å; S107-T109 VanDerWaalsContact O-N 3.14Å; S107-T109 WeakPolarHBondContact OG-CB 3.5Å; S107-T109 PolarHBondContact OG-N 3.3Å; S107-T109 PolarHBondContact OG-OG1 3.3Å | ||
| 110 | P | 97.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 143.5 | 178.3 | 29 | -29.1 | 0 | 0 | 0 | 111.6 | W34 L71 I79 V102 K103 | W34-P110 HydrophobicContact CE3-CB 4.42Å; W34-P110 HydrophobicContact CH2-CB 3.46Å; W34-P110 VanDerWaalsContact CH2-CB 3.46Å; W34-P110 HydrophobicContact CZ2-CB 4.41Å; W34-P110 HydrophobicContact CZ3-CB 3.47Å; W34-P110 VanDerWaalsContact CZ3-CB 3.47Å; L71-P110 HydrophobicContact CB-CG 4.3Å; L71-P110 WeakPolarHBondContact CB-O 3.36Å; L71-P110 HydrophobicContact CD1-CB 4.42Å; L71-P110 HydrophobicContact CD1-CG 4.33Å; L71-P110 PolarHBondContact N-O 2.94Å; I79-P110 HydrophobicContact CD1-CG 3.74Å; V102-P110 WeakPolarHBondContact O-CA 3.4Å; K103-P110 HydrophobicContact CG-CB 4.22Å |
| 111 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 154.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V68 K69 I70 V102 | V68-A111 HydrophobicContact CG1-CB 3.84Å; K69-A111 VanDerWaalsContact O-CA 3.28Å; K69-A111 WeakPolarHBondContact O-CA 3.48Å; I70-A111 HydrophobicContact CB-CB 4.44Å; I70-A111 HydrophobicContact CG1-CB 4.12Å; V102-A111 HydrophobicContact CG2-CB 3.74Å; V102-A111 PolarHBondContact N-O 2.97Å; V102-A111 PolarHBondContact O-N 3.03Å |
| 112 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.3 | 176.2 | -53.1 | -179.2 | 0 | 0 | 0 | 108.4 | K69 L71 E82 I83 L86 L98 T101 F114 | K69-L112 HydrophobicContact CB-CB 4.45Å; K69-L112 PolarHBondContact N-O 3.08Å; K69-L112 PolarHBondContact O-N 3.36Å; L71-L112 HydrophobicContact CD1-CD1 4.43Å; L71-L112 HydrophobicContact CD1-CD2 4.44Å; L71-L112 HydrophobicContact CD1-CG 4.16Å; L71-L112 HydrophobicContact CD2-CD1 4.35Å; L71-L112 HydrophobicContact CD2-CG 4.42Å; L71-L112 HydrophobicContact CG-CG 4.45Å; E82-L112 HydrophobicContact CG-CD1 3.96Å; I83-L112 HydrophobicContact CD1-CD2 4.01Å; I83-L112 HydrophobicContact CG1-CD2 3.63Å; L86-L112 HydrophobicContact CD1-CD1 4.08Å; L98-L112 HydrophobicContact CD1-CB 3.99Å; L98-L112 HydrophobicContact CD1-CD2 4.44Å; T101-L112 HydrophobicContact CG2-CD2 3.85Å; L112-F114 HydrophobicContact CB-CD2 4.37Å; L112-F114 HydrophobicContact CB-CE2 3.47Å; L112-F114 VanDerWaalsContact CB-CE2 3.47Å; L112-F114 HydrophobicContact CB-CZ 3.63Å; L112-F114 HydrophobicContact CD1-CE2 4.4Å; L112-F114 HydrophobicContact CD1-CZ 3.93Å; L112-F114 HydrophobicContact CG-CZ 4.44Å |
| 113 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.2 | -180 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | Y40 V66 V67 V68 V99 D100 V102 | Y40-V113 HydrophobicContact CD1-CG1 4.07Å; Y40-V113 HydrophobicContact CD2-CG2 4.23Å; Y40-V113 HydrophobicContact CE1-CB 4.45Å; Y40-V113 HydrophobicContact CE1-CG1 3.61Å; Y40-V113 HydrophobicContact CE1-CG2 4.24Å; Y40-V113 HydrophobicContact CE2-CG2 3.98Å; Y40-V113 HydrophobicContact CG-CG2 4.48Å; V66-V113 HydrophobicContact CB-CG1 3.77Å; V66-V113 HydrophobicContact CG1-CG1 4.15Å; V66-V113 HydrophobicContact CG2-CG1 3.78Å; V67-V113 CarbonylContact O-C 3.57Å; V67-V113 WeakPolarHBondContact O-CA 3.38Å; V68-V113 HydrophobicContact CG2-CG2 4.39Å; V99-V113 HydrophobicContact CB-CB 4.5Å; V99-V113 HydrophobicContact CB-CG1 4.26Å; V99-V113 WeakPolarHBondContact CB-O 3.33Å; V99-V113 PolarHBondContact N-O 3.48Å; D100-V113 HydrophobicContact CB-CB 4.01Å; D100-V113 HydrophobicContact CB-CG2 4.16Å; D100-V113 PolarHBondContact N-O 2.88Å; D100-V113 PolarHBondContact O-N 3.5Å; V102-V113 HydrophobicContact CG1-CG2 3.88Å; V102-V113 HydrophobicContact CG2-CG2 4.02Å |
| 114 | F | 98.6 | Very high | 93.7 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 161 | -176.8 | -60.2 | -82.6 | 0 | 0 | 0 | 112 | V66 V67 K69 L86 I96 R97 L98 L112 | V66-F114 WeakPolarHBondContact CA-O 3.09Å; V66-F114 WeakPolarHBondContact CB-O 3.48Å; V67-F114 HydrophobicContact CB-CB 4.4Å; V67-F114 PolarHBondContact N-O 3.16Å; V67-F114 PolarHBondContact O-N 3.06Å; K69-F114 HydrophobicContact CB-CD2 4.34Å; K69-F114 HydrophobicContact CB-CE2 3.81Å; K69-F114 HydrophobicContact CD-CE2 4.13Å; L86-F114 HydrophobicContact CD1-CE1 3.69Å; L86-F114 HydrophobicContact CD1-CZ 3.82Å; L86-F114 HydrophobicContact CD2-CE1 4.02Å; I96-F114 HydrophobicContact CD1-CB 4.49Å; I96-F114 HydrophobicContact CG1-CB 4.08Å; I96-F114 HydrophobicContact CG1-CD1 3.81Å; I96-F114 HydrophobicContact CG1-CG 4.2Å; I96-F114 HydrophobicContact CG2-CD1 4.19Å; I96-F114 HydrophobicContact CG2-CE1 4.24Å; R97-F114 WeakPolarHBondContact O-CA 3.4Å; L98-F114 HydrophobicContact CB-CD1 4.42Å; L98-F114 HydrophobicContact CB-CE1 4.27Å; L98-F114 HydrophobicContact CD1-CD1 4.29Å; L98-F114 HydrophobicContact CD1-CE1 3.87Å; L98-F114 HydrophobicContact CD1-CZ 4.18Å; L112-F114 HydrophobicContact CB-CD2 4.37Å; L112-F114 HydrophobicContact CB-CE2 3.47Å; L112-F114 VanDerWaalsContact CB-CE2 3.47Å; L112-F114 HydrophobicContact CB-CZ 3.63Å; L112-F114 HydrophobicContact CD1-CE2 4.4Å; L112-F114 HydrophobicContact CD1-CZ 3.93Å; L112-F114 HydrophobicContact CG-CZ 4.44Å |
| 115 | E | 97.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 144.7 | 165.1 | 65.8 | -178.7 | 157.8 | 0 | 0 | 111.1 | I96 R97 I117 R173 | I96-E115 HydrophobicContact CD1-CG 3.56Å; I96-E115 HydrophobicContact CG1-CG 4.44Å; R97-E115 HydrophobicContact CB-CB 4.29Å; R97-E115 HydrophobicContact CB-CG 3.92Å; R97-E115 WeakPolarHBondContact CB-OE1 3.48Å; R97-E115 PolarHBondContact N-OE1 3.42Å; R97-E115 IonicContact NE-OE2 2.93Å; R97-E115 PolarHBondContact O-N 3.17Å; R97-E115 VanDerWaalsContact O-N 3.12Å; E115-I117 HydrophobicContact CG-CD1 3.96Å; E115-R173 IonicContact OE1-CZ 3.41Å; E115-R173 IonicContact OE1-NE 2.64Å; E115-R173 PolarHBondContact OE1-NE 3.13Å |
| 116 | C | 95.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | trans | -82.1 | 130.9 | 175.1 | -170 | 0 | 0 | 0 | 0 | 110.5 | K65 V67 | K65-C116 HydrophobicContact CB-CB 4.12Å; K65-C116 WeakPolarHBondContact O-CB 3.36Å; V67-C116 HydrophobicContact CG2-CB 4.44Å | ||
| 117 | I | 94 | Very high | 92.4 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | trans | -115.3 | 129.2 | 176.1 | -53.5 | -60.6 | 0 | 0 | 0 | 108.4 | I96 E115 N119 M164 R173 | I96-I117 HydrophobicContact CD1-CD1 4.34Å; I96-I117 HydrophobicContact CD1-CG1 3.85Å; E115-I117 HydrophobicContact CG-CD1 3.96Å; I117-N119 PolarHBondContact O-N 2.67Å; I117-M164 HydrophobicContact CB-CB 4.42Å; I117-M164 HydrophobicContact CG2-CB 3.98Å; I117-R173 HydrophobicContact CD1-CG 3.61Å; I117-R173 HydrophobicContact CG1-CB 4.4Å; I117-R173 HydrophobicContact CG1-CG 3.95Å | ||
| 118 | N | 91.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 59.1 Ų | 59.1 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | trans | -76.8 | 77.8 | 174.7 | -172.9 | 30.7 | 0 | 0 | 0 | 110.1 | D166 | N118-D166 WeakPolarHBondContact O-CA 3.44Å; N118-D166 WeakPolarHBondContact O-CB 3.31Å | ||
| 119 | N | 92 | Very high | 92.1 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -75 | 130.3 | -173.5 | -177.5 | 67.5 | 0 | 0 | 0 | 112.4 | I117 M164 I165 | I117-N119 PolarHBondContact O-N 2.67Å; N119-M164 HydrophobicContact CB-SD 3.59Å; N119-M164 VanDerWaalsContact CB-SD 3.59Å; N119-M164 VanDerWaalsContact OD1-CA 3.29Å; N119-M164 WeakPolarHBondContact OD1-CA 3.27Å; N119-M164 PolarHBondContact OD1-SD 2.99Å; N119-M164 VanDerWaalsContact OD1-SD 3.36Å; N119-I165 WeakPolarHBondContact CA-O 3.33Å; N119-I165 PolarHBondContact OD1-N 2.81Å |
| 120 | T | 89.3 | Confident | 92.1 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 128.8 | 161.7 | -50.7 | 0 | 0 | 0 | 0 | 108.5 | F122 L125 I165 | T120-F122 PolarHBondContact O-N 2.99Å; T120-L125 HydrophobicContact CG2-CB 4.08Å; T120-L125 HydrophobicContact CG2-CD1 4.36Å; T120-I165 PolarHBondContact N-O 2.91Å |
| 121 | D | 86.6 | Confident | 92.2 | Very high | 73 Ų | 73 | 54 Ų | 54 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 129.8 | 179.1 | -175.3 | -88.8 | 0 | 0 | 0 | 110.4 | K123 E124 L125 | D121-K123 PolarHBondContact O-N 3.08Å; D121-K123 VanDerWaalsContact OD1-CB 3.27Å; D121-K123 WeakPolarHBondContact OD1-CB 3.16Å; D121-K123 PolarHBondContact OD1-N 2.91Å; D121-E124 HydrophobicContact CB-CG 4.41Å; D121-E124 PolarHBondContact O-N 2.98Å; D121-L125 WeakPolarHBondContact O-CB 3.36Å; D121-L125 PolarHBondContact O-N 2.97Å |
| 122 | F | 83.3 | Confident | 92.2 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -27.8 | -170.2 | 77.4 | -88 | 0 | 0 | 0 | 111.9 | T120 L125 Y126 P160 H161 E231 | T120-F122 PolarHBondContact O-N 2.99Å; F122-L125 PolarHBondContact O-N 3.08Å; F122-Y126 HydrophobicContact CB-CD1 4.37Å; F122-Y126 HydrophobicContact CB-CE1 4.4Å; F122-Y126 HydrophobicContact CD2-CD1 4.48Å; F122-Y126 WeakPolarHBondContact O-CB 3.19Å; F122-Y126 WeakPolarHBondContact O-CD1 3.46Å; F122-Y126 PolarHBondContact O-N 3.12Å; F122-P160 HydrophobicContact CB-CB 4.31Å; F122-P160 HydrophobicContact CD1-CB 4.36Å; F122-P160 HydrophobicContact CD2-CB 3.43Å; F122-P160 VanDerWaalsContact CD2-CB 3.43Å; F122-P160 HydrophobicContact CD2-CG 4.42Å; F122-P160 HydrophobicContact CE2-CB 3.87Å; F122-P160 HydrophobicContact CG-CB 3.74Å; F122-P160 HydrophobicContact CZ-CB 4.48Å; F122-H161 AromaticContact CE1-CD2 3.56Å; F122-H161 AromaticContact CE1-CE1 3.35Å; F122-H161 WeakPolarHBondContact CE1-CE1 3.33Å; F122-H161 AromaticContact CE1-CG 3.63Å; F122-H161 AromaticContact CE1-ND1 3.48Å; F122-H161 WeakPolarHBondContact CE1-ND1 3.45Å; F122-H161 AromaticContact CE1-NE2 3.42Å; F122-H161 WeakPolarHBondContact CE1-NE2 3.25Å; F122-H161 AromaticContact CZ-CE1 3.12Å; F122-H161 WeakPolarHBondContact CZ-CE1 3.48Å; F122-H161 AromaticContact CZ-ND1 3.51Å; F122-H161 AromaticContact CZ-NE2 3.57Å; F122-E231 WeakPolarHBondContact CE2-OE1 3.45Å |
| 123 | K | 84.3 | Confident | 92.1 | Very high | 123 Ų | 123 | 57.1 Ų | 57.1 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 178.1 | -64.1 | -176.4 | 174.8 | 179.2 | 0 | 111.4 | D121 | D121-K123 PolarHBondContact O-N 3.08Å; D121-K123 VanDerWaalsContact OD1-CB 3.27Å; D121-K123 WeakPolarHBondContact OD1-CB 3.16Å; D121-K123 PolarHBondContact OD1-N 2.91Å |
| 124 | E | 87 | Confident | 92.1 | Very high | 115 Ų | 115 | 57.2 Ų | 57.2 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.1 | -35.9 | 175.1 | -63.4 | -174.4 | -177.6 | 0 | 0 | 111.6 | D121 | D121-E124 HydrophobicContact CB-CG 4.41Å; D121-E124 PolarHBondContact O-N 2.98Å |
| 125 | L | 88.9 | Confident | 92.1 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.1 | -46.7 | -177.5 | -176.3 | 59.5 | 0 | 0 | 0 | 112 | T120 D121 F122 Q127 K128 L129 I165 H167 | T120-L125 HydrophobicContact CG2-CB 4.08Å; T120-L125 HydrophobicContact CG2-CD1 4.36Å; D121-L125 WeakPolarHBondContact O-CB 3.36Å; D121-L125 PolarHBondContact O-N 2.97Å; F122-L125 PolarHBondContact O-N 3.08Å; L125-Q127 PolarHBondContact O-N 2.81Å; L125-Q127 VanDerWaalsContact O-N 3.14Å; L125-K128 WeakPolarHBondContact O-CA 3.31Å; L125-K128 PolarHBondContact O-N 2.85Å; L125-L129 HydrophobicContact CD1-CD2 3.72Å; L125-L129 HydrophobicContact CD1-CG 4.48Å; L125-L129 HydrophobicContact CD2-CD2 4.28Å; L125-L129 HydrophobicContact CG-CD2 3.72Å; L125-L129 HydrophobicContact CG-CG 4.16Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.27Å; L125-I165 HydrophobicContact CD2-CB 3.86Å; L125-I165 HydrophobicContact CD2-CD1 3.82Å; L125-I165 HydrophobicContact CD2-CG1 4.44Å; L125-I165 HydrophobicContact CD2-CG2 3.66Å; L125-H167 HydrophobicContact CD1-CB 3.95Å |
| 126 | Y | 84.7 | Confident | 92.2 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.6 | -35.7 | -173.8 | -95.7 | 45.6 | 0 | 0 | 0 | 113.6 | F122 K128 L129 P160 M222 M226 | F122-Y126 HydrophobicContact CB-CD1 4.37Å; F122-Y126 HydrophobicContact CB-CE1 4.4Å; F122-Y126 HydrophobicContact CD2-CD1 4.48Å; F122-Y126 WeakPolarHBondContact O-CB 3.19Å; F122-Y126 WeakPolarHBondContact O-CD1 3.46Å; F122-Y126 PolarHBondContact O-N 3.12Å; Y126-K128 PolarHBondContact O-N 3.32Å; Y126-L129 HydrophobicContact CD1-CD1 4.2Å; Y126-P160 HydrophobicContact CE1-CB 4.47Å; Y126-P160 HydrophobicContact CE2-CG 4.49Å; Y126-M222 WeakPolarHBondContact OH-CE 3.41Å; Y126-M226 HydrophobicContact CD2-CG 3.58Å; Y126-M226 HydrophobicContact CE1-CG 4.18Å; Y126-M226 HydrophobicContact CE1-SD 4.01Å; Y126-M226 HydrophobicContact CE2-CB 4.34Å; Y126-M226 HydrophobicContact CE2-CG 3.08Å; Y126-M226 HydrophobicContact CE2-SD 3.94Å; Y126-M226 HydrophobicContact CG-CG 4.3Å; Y126-M226 VanDerWaalsContact CZ-CG 3.4Å; Y126-M226 VanDerWaalsContact CZ-SD 3.58Å |
| 127 | Q | 85.3 | Confident | 92.3 | Very high | 163 Ų | 163 | 54.8 Ų | 54.8 | 76% | 0.762 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -14.8 | 179 | -63.5 | -176.4 | -2.8 | 0 | 0 | 113.5 | L125 | L125-Q127 PolarHBondContact O-N 2.81Å; L125-Q127 VanDerWaalsContact O-N 3.14Å |
| 128 | K | 90.8 | Very high | 92.5 | Very high | 150 Ų | 150 | 53 Ų | 53 | 65% | 0.652 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -9.6 | -175.4 | -60.5 | 175 | -174.9 | 169.7 | 0 | 113 | L125 Y126 T130 | L125-K128 WeakPolarHBondContact O-CA 3.31Å; L125-K128 PolarHBondContact O-N 2.85Å; Y126-K128 PolarHBondContact O-N 3.32Å; K128-T130 PolarHBondContact O-N 2.93Å |
| 129 | L | 95.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -66.2 | 129.9 | -179 | -66.3 | -179.5 | 0 | 0 | 0 | 110.3 | L125 Y126 D133 I134 Y137 M226 | L125-L129 HydrophobicContact CD1-CD2 3.72Å; L125-L129 HydrophobicContact CD1-CG 4.48Å; L125-L129 HydrophobicContact CD2-CD2 4.28Å; L125-L129 HydrophobicContact CG-CD2 3.72Å; L125-L129 HydrophobicContact CG-CG 4.16Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.27Å; Y126-L129 HydrophobicContact CD1-CD1 4.2Å; L129-D133 HydrophobicContact CB-CB 4.21Å; L129-D133 HydrophobicContact CD2-CB 3.71Å; L129-I134 HydrophobicContact CB-CG1 3.91Å; L129-I134 HydrophobicContact CD1-CG1 4.18Å; L129-Y137 HydrophobicContact CD2-CD2 4.03Å; L129-Y137 HydrophobicContact CD2-CE2 3.96Å; L129-M226 HydrophobicContact CD1-SD 4.03Å | ||
| 130 | T | 97.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | trans | -76.7 | 166.1 | 167.3 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | K128 F132 D133 I134 | K128-T130 PolarHBondContact O-N 2.93Å; T130-F132 PolarHBondContact O-N 3.32Å; T130-D133 WeakPolarHBondContact CB-OD2 3.46Å; T130-D133 PolarHBondContact N-OD2 3.27Å; T130-D133 VanDerWaalsContact N-OD2 3.17Å; T130-D133 PolarHBondContact O-N 3.09Å; T130-D133 VanDerWaalsContact OG1-CG 3.22Å; T130-D133 PolarHBondContact OG1-N 3.2Å; T130-D133 VanDerWaalsContact OG1-N 3.13Å; T130-D133 PolarHBondContact OG1-OD2 3.1Å; T130-I134 WeakPolarHBondContact O-CG1 3.37Å; T130-I134 PolarHBondContact O-N 2.86Å | ||
| 131 | D | 98.2 | Very high | 93.7 | Very high | 39 Ų | 39 | 45 Ų | 45 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.2 | -41.7 | 171.7 | 174.1 | 46.7 | 0 | 0 | 0 | 111.3 | D133 I134 R135 L293 | D131-D133 PolarHBondContact O-N 3.11Å; D131-I134 PolarHBondContact O-N 2.72Å; D131-R135 VanDerWaalsContact CG-NE 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.11Å; D131-R135 PolarHBondContact O-N 3.19Å; D131-R135 IonicContact OD1-CZ 3.58Å; D131-R135 IonicContact OD1-NE 2.72Å; D131-R135 PolarHBondContact OD1-NE 2.9Å; D131-R135 VanDerWaalsContact OD1-NE 3.12Å; D131-R135 IonicContact OD1-NH2 3.96Å; D131-R135 PolarHBondContact OD1-NH2 3.5Å; D131-R135 IonicContact OD2-CZ 3.49Å; D131-R135 VanDerWaalsContact OD2-CZ 3.23Å; D131-R135 IonicContact OD2-NE 3.48Å; D131-R135 PolarHBondContact OD2-NE 3.3Å; D131-R135 IonicContact OD2-NH2 3.69Å; D131-R135 PolarHBondContact OD2-NH2 3.1Å; D131-L293 HydrophobicContact CB-CD2 4.3Å |
| 132 | F | 98.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 22% | 0.219 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 177.2 | -174.4 | -97.5 | 0 | 0 | 0 | 112.6 | T130 I134 R135 F136 P327 V328 E331 | T130-F132 PolarHBondContact O-N 3.32Å; F132-I134 VanDerWaalsContact C-N 3.35Å; F132-I134 PolarHBondContact O-N 3Å; F132-R135 PolarHBondContact O-N 2.94Å; F132-F136 HydrophobicContact CE1-CB 4.35Å; F132-F136 WeakPolarHBondContact O-CB 3.09Å; F132-F136 PolarHBondContact O-N 3Å; F132-P327 HydrophobicContact CD2-CB 4.41Å; F132-P327 HydrophobicContact CE2-CB 4.28Å; F132-V328 HydrophobicContact CE2-CG2 4.01Å; F132-V328 HydrophobicContact CZ-CG2 4.3Å; F132-E331 VanDerWaalsContact CE1-OE2 3.28Å; F132-E331 WeakPolarHBondContact CE1-OE2 3.35Å; F132-E331 WeakPolarHBondContact CE2-OE2 3.43Å; F132-E331 HydrophobicContact CZ-CB 4.24Å; F132-E331 HydrophobicContact CZ-CG 4.45Å; F132-E331 WeakPolarHBondContact CZ-OE2 3.44Å |
| 133 | D | 98 | Very high | 95 | Very high | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 177 | -63 | -53.7 | 0 | 0 | 0 | 112.3 | L129 T130 D131 F136 Y137 H167 R170 | L129-D133 HydrophobicContact CB-CB 4.21Å; L129-D133 HydrophobicContact CD2-CB 3.71Å; T130-D133 WeakPolarHBondContact CB-OD2 3.46Å; T130-D133 PolarHBondContact N-OD2 3.27Å; T130-D133 VanDerWaalsContact N-OD2 3.17Å; T130-D133 PolarHBondContact O-N 3.09Å; T130-D133 VanDerWaalsContact OG1-CG 3.22Å; T130-D133 PolarHBondContact OG1-N 3.2Å; T130-D133 VanDerWaalsContact OG1-N 3.13Å; T130-D133 PolarHBondContact OG1-OD2 3.1Å; D131-D133 PolarHBondContact O-N 3.11Å; D133-F136 PolarHBondContact O-N 2.85Å; D133-Y137 HydrophobicContact CB-CD2 4.25Å; D133-Y137 HydrophobicContact CB-CE2 4.14Å; D133-Y137 WeakPolarHBondContact O-CD2 3.49Å; D133-Y137 PolarHBondContact O-N 2.84Å; D133-H167 IonicContact OD1-CE1 2.67Å; D133-R170 IonicContact OD1-CZ 2.72Å; D133-R170 IonicContact OD1-NH1 3.61Å; D133-R170 PolarHBondContact OD1-NH1 2.96Å; D133-R170 IonicContact OD1-NH2 2.72Å; D133-R170 PolarHBondContact OD1-NH2 3.29Å |
| 134 | I | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -50.6 | 174.7 | -64.1 | 169.1 | 0 | 0 | 0 | 109.6 | L129 T130 D131 F132 F136 Y137 M138 L223 M226 I227 L293 | L129-I134 HydrophobicContact CB-CG1 3.91Å; L129-I134 HydrophobicContact CD1-CG1 4.18Å; T130-I134 WeakPolarHBondContact O-CG1 3.37Å; T130-I134 PolarHBondContact O-N 2.86Å; D131-I134 PolarHBondContact O-N 2.72Å; F132-I134 VanDerWaalsContact C-N 3.35Å; F132-I134 PolarHBondContact O-N 3Å; I134-F136 VanDerWaalsContact C-N 3.3Å; I134-F136 PolarHBondContact O-N 2.96Å; I134-Y137 PolarHBondContact O-N 2.92Å; I134-M138 HydrophobicContact CG2-CG 4.16Å; I134-M138 WeakPolarHBondContact O-CB 3.15Å; I134-M138 WeakPolarHBondContact O-CG 3.43Å; I134-M138 PolarHBondContact O-N 2.88Å; I134-L223 HydrophobicContact CG2-CD1 4.01Å; I134-M226 HydrophobicContact CD1-CB 3.98Å; I134-M226 HydrophobicContact CG1-CB 4.22Å; I134-M226 HydrophobicContact CG1-SD 4.3Å; I134-M226 HydrophobicContact CG2-CB 4.17Å; I134-M226 HydrophobicContact CG2-CE 4.17Å; I134-M226 HydrophobicContact CG2-SD 4.14Å; I134-I227 HydrophobicContact CD1-CG2 4.47Å; I134-I227 HydrophobicContact CG2-CG2 4.25Å; I134-L293 HydrophobicContact CD1-CB 4.31Å; I134-L293 HydrophobicContact CD1-CD1 4.05Å; I134-L293 HydrophobicContact CD1-CD2 3.94Å; I134-L293 HydrophobicContact CD1-CG 4.32Å |
| 135 | R | 98.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.4 | -48.6 | 175.7 | -68.3 | 170.6 | -165.8 | -112.4 | 7.3 | 111 | D131 F132 Y139 S295 Y324 F325 V328 | D131-R135 VanDerWaalsContact CG-NE 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.11Å; D131-R135 PolarHBondContact O-N 3.19Å; D131-R135 IonicContact OD1-CZ 3.58Å; D131-R135 IonicContact OD1-NE 2.72Å; D131-R135 PolarHBondContact OD1-NE 2.9Å; D131-R135 VanDerWaalsContact OD1-NE 3.12Å; D131-R135 IonicContact OD1-NH2 3.96Å; D131-R135 PolarHBondContact OD1-NH2 3.5Å; D131-R135 IonicContact OD2-CZ 3.49Å; D131-R135 VanDerWaalsContact OD2-CZ 3.23Å; D131-R135 IonicContact OD2-NE 3.48Å; D131-R135 PolarHBondContact OD2-NE 3.3Å; D131-R135 IonicContact OD2-NH2 3.69Å; D131-R135 PolarHBondContact OD2-NH2 3.1Å; F132-R135 PolarHBondContact O-N 2.94Å; R135-Y139 VanDerWaalsContact O-CB 3.31Å; R135-Y139 WeakPolarHBondContact O-CB 3.29Å; R135-Y139 PolarHBondContact O-N 2.74Å; R135-S295 PolarHBondContact NH2-OG 3.36Å; R135-Y324 HydrophobicContact CB-CE1 4.21Å; R135-Y324 WeakPolarHBondContact CD-O 3.26Å; R135-Y324 HydrophobicContact CG-CD1 4.03Å; R135-Y324 HydrophobicContact CG-CD2 4.18Å; R135-Y324 HydrophobicContact CG-CE1 3.5Å; R135-Y324 VanDerWaalsContact CG-CE1 3.5Å; R135-Y324 HydrophobicContact CG-CE2 3.61Å; R135-Y324 HydrophobicContact CG-CG 4.36Å; R135-Y324 WeakPolarHBondContact CG-OH 3.35Å; R135-Y324 VanDerWaalsContact CZ-CE2 3.48Å; R135-Y324 PolarHBondContact NH1-O 3.3Å; R135-F325 HydrophobicContact CB-CD1 4.48Å; R135-F325 WeakPolarHBondContact O-CD1 3.34Å; R135-F325 VanDerWaalsContact O-CE1 3.27Å; R135-F325 WeakPolarHBondContact O-CE1 3.34Å; R135-V328 HydrophobicContact CB-CG2 3.6Å |
| 136 | F | 98.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -53.6 | -177.6 | 179.1 | -90.3 | 0 | 0 | 0 | 112.1 | F132 D133 I134 M138 Y139 E140 R170 V328 | F132-F136 HydrophobicContact CE1-CB 4.35Å; F132-F136 WeakPolarHBondContact O-CB 3.09Å; F132-F136 PolarHBondContact O-N 3Å; D133-F136 PolarHBondContact O-N 2.85Å; I134-F136 VanDerWaalsContact C-N 3.3Å; I134-F136 PolarHBondContact O-N 2.96Å; F136-M138 VanDerWaalsContact C-N 3.34Å; F136-M138 PolarHBondContact O-N 2.89Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.41Å; F136-E140 HydrophobicContact CD1-CG 4.17Å; F136-E140 HydrophobicContact CE1-CG 3.76Å; F136-E140 HydrophobicContact CE2-CG 4.45Å; F136-E140 HydrophobicContact CZ-CG 3.92Å; F136-E140 WeakPolarHBondContact O-CG 3.46Å; F136-E140 PolarHBondContact O-N 2.86Å; F136-R170 VanDerWaalsContact CB-NH2 3.28Å; F136-R170 VanDerWaalsContact CD1-NH2 3.33Å; F136-R170 HydrophobicContact CE1-CB 3.8Å; F136-R170 WeakPolarHBondContact CE1-O 3.42Å; F136-R170 HydrophobicContact CZ-CB 3.9Å; F136-V328 HydrophobicContact CB-CG2 4.4Å; F136-V328 HydrophobicContact CD2-CG1 4.13Å |
| 137 | Y | 98.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -31.9 | -177.6 | -69.6 | -58.3 | 0 | 0 | 0 | 112.8 | L129 D133 I134 Y139 E140 L141 I165 H167 L172 | L129-Y137 HydrophobicContact CD2-CD2 4.03Å; L129-Y137 HydrophobicContact CD2-CE2 3.96Å; D133-Y137 HydrophobicContact CB-CD2 4.25Å; D133-Y137 HydrophobicContact CB-CE2 4.14Å; D133-Y137 WeakPolarHBondContact O-CD2 3.49Å; D133-Y137 PolarHBondContact O-N 2.84Å; I134-Y137 PolarHBondContact O-N 2.92Å; Y137-Y139 VanDerWaalsContact C-N 3.35Å; Y137-E140 PolarHBondContact O-N 3.3Å; Y137-L141 WeakPolarHBondContact O-CB 3.47Å; Y137-L141 PolarHBondContact O-N 3.47Å; Y137-I165 HydrophobicContact CD1-CD1 4.07Å; Y137-I165 HydrophobicContact CD1-CG1 4.26Å; Y137-I165 HydrophobicContact CD1-CG2 4.07Å; Y137-I165 HydrophobicContact CD2-CD1 4.36Å; Y137-I165 HydrophobicContact CE1-CG1 4.46Å; Y137-I165 HydrophobicContact CE1-CG2 3.46Å; Y137-I165 VanDerWaalsContact CE1-CG2 3.46Å; Y137-I165 HydrophobicContact CE2-CG2 4.2Å; Y137-I165 HydrophobicContact CG-CD1 4Å; Y137-H167 AromaticContact CE2-ND1 3.51Å; Y137-H167 AromaticContact CZ-ND1 3.6Å; Y137-H167 WeakPolarHBondContact OH-CA 3.41Å; Y137-H167 PolarHBondContact OH-ND1 3.45Å; Y137-L172 HydrophobicContact CD1-CB 4.47Å; Y137-L172 HydrophobicContact CD1-CD1 4.06Å; Y137-L172 WeakPolarHBondContact O-CD1 3.48Å |
| 138 | M | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 171.4 | -72.7 | -65.3 | -65.5 | 0 | 0 | 111.7 | I134 F136 L141 L142 L219 L223 M226 F325 | I134-M138 HydrophobicContact CG2-CG 4.16Å; I134-M138 WeakPolarHBondContact O-CB 3.15Å; I134-M138 WeakPolarHBondContact O-CG 3.43Å; I134-M138 PolarHBondContact O-N 2.88Å; F136-M138 VanDerWaalsContact C-N 3.34Å; F136-M138 PolarHBondContact O-N 2.89Å; M138-L141 PolarHBondContact O-N 2.95Å; M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 VanDerWaalsContact O-CG 3.31Å; M138-L142 WeakPolarHBondContact O-CG 3.35Å; M138-L142 PolarHBondContact O-N 3.27Å; M138-L219 HydrophobicContact CE-CD1 3.38Å; M138-L219 HydrophobicContact CE-CD2 4.13Å; M138-L219 HydrophobicContact CE-CG 3.48Å; M138-L219 VanDerWaalsContact CE-CG 3.48Å; M138-L219 HydrophobicContact SD-CD1 3.93Å; M138-L223 HydrophobicContact CE-CB 3.7Å; M138-L223 HydrophobicContact CE-CD1 4.2Å; M138-L223 HydrophobicContact CE-CD2 4.48Å; M138-L223 HydrophobicContact CE-CG 4.34Å; M138-L223 HydrophobicContact CG-CD1 4.19Å; M138-L223 HydrophobicContact SD-CB 4.47Å; M138-M226 HydrophobicContact CG-CE 3.68Å; M138-M226 HydrophobicContact SD-CE 3.25Å; M138-M226 WeakPolarHBondContact SD-CE 3.34Å; M138-F325 HydrophobicContact CB-CE1 3.85Å; M138-F325 HydrophobicContact CB-CZ 4.09Å |
| 139 | Y | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 20.1 Ų | 20.1 | 8% | 0.082 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.2 | -167.8 | -105.5 | 0 | 0 | 0 | 112.1 | R135 F136 Y137 L141 L142 K143 M320 F325 V328 L329 | R135-Y139 VanDerWaalsContact O-CB 3.31Å; R135-Y139 WeakPolarHBondContact O-CB 3.29Å; R135-Y139 PolarHBondContact O-N 2.74Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.41Å; Y137-Y139 VanDerWaalsContact C-N 3.35Å; Y139-L141 VanDerWaalsContact C-N 3.33Å; Y139-L141 PolarHBondContact O-N 3.31Å; Y139-L142 WeakPolarHBondContact O-CB 3.44Å; Y139-L142 PolarHBondContact O-N 2.69Å; Y139-K143 HydrophobicContact CE1-CD 4.44Å; Y139-K143 PolarHBondContact O-N 2.9Å; Y139-M320 HydrophobicContact CD2-CB 4.32Å; Y139-M320 HydrophobicContact CD2-CE 4.48Å; Y139-M320 HydrophobicContact CD2-CG 4.1Å; Y139-M320 HydrophobicContact CE1-CE 4.1Å; Y139-M320 HydrophobicContact CE2-CB 3.67Å; Y139-M320 HydrophobicContact CE2-CE 3.7Å; Y139-M320 HydrophobicContact CE2-CG 3.79Å; Y139-M320 VanDerWaalsContact CZ-CE 3.44Å; Y139-M320 VanDerWaalsContact OH-CE 3.25Å; Y139-M320 WeakPolarHBondContact OH-CE 3.26Å; Y139-F325 HydrophobicContact CD2-CB 3.79Å; Y139-F325 AromaticContact CD2-CD1 3.84Å; Y139-F325 HydrophobicContact CD2-CD1 3.84Å; Y139-F325 HydrophobicContact CD2-CD2 4.22Å; Y139-F325 HydrophobicContact CD2-CE1 4.47Å; Y139-F325 AromaticContact CD2-CG 3.68Å; Y139-F325 HydrophobicContact CD2-CG 3.68Å; Y139-F325 HydrophobicContact CE2-CB 4.2Å; Y139-F325 HydrophobicContact CE2-CG 4.46Å; Y139-F325 HydrophobicContact CG-CD1 4.22Å; Y139-F325 HydrophobicContact CG-CG 4.48Å; Y139-V328 HydrophobicContact CD1-CG1 3.84Å; Y139-V328 HydrophobicContact CG-CG1 4.11Å; Y139-L329 HydrophobicContact CE1-CD2 4.21Å; Y139-L329 HydrophobicContact CE2-CD2 4.2Å; Y139-L329 WeakPolarHBondContact OH-CD2 3.4Å |
| 140 | E | 98.7 | Very high | 98.6 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 8% | 0.084 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 176.3 | -69.4 | -54.3 | 117.3 | 0 | 0 | 112.8 | N94 F136 Y137 K143 A144 L172 Q332 | N94-E140 PolarHBondContact ND2-O 3.21Å; N94-E140 PolarHBondContact ND2-OE2 3.43Å; F136-E140 HydrophobicContact CD1-CG 4.17Å; F136-E140 HydrophobicContact CE1-CG 3.76Å; F136-E140 HydrophobicContact CE2-CG 4.45Å; F136-E140 HydrophobicContact CZ-CG 3.92Å; F136-E140 WeakPolarHBondContact O-CG 3.46Å; F136-E140 PolarHBondContact O-N 2.86Å; Y137-E140 PolarHBondContact O-N 3.3Å; E140-K143 WeakPolarHBondContact OE1-CE 3.49Å; E140-K143 IonicContact OE1-NZ 3.25Å; E140-K143 PolarHBondContact OE1-NZ 2.93Å; E140-K143 IonicContact OE2-NZ 2.6Å; E140-A144 PolarHBondContact O-N 2.84Å; E140-L172 HydrophobicContact CB-CB 4.1Å; E140-L172 HydrophobicContact CB-CD1 4.21Å; E140-Q332 PolarHBondContact OE1-NE2 3.16Å |
| 141 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.4 | -39.3 | 172.5 | -179.7 | 56.3 | 0 | 0 | 0 | 111.8 | Y137 M138 Y139 K143 A144 L145 V158 V163 L172 L174 L219 M222 | Y137-L141 WeakPolarHBondContact O-CB 3.47Å; Y137-L141 PolarHBondContact O-N 3.47Å; M138-L141 PolarHBondContact O-N 2.95Å; Y139-L141 VanDerWaalsContact C-N 3.33Å; Y139-L141 PolarHBondContact O-N 3.31Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 3.19Å; L141-A144 WeakPolarHBondContact O-CB 3.45Å; L141-A144 PolarHBondContact O-N 3.27Å; L141-A144 VanDerWaalsContact O-N 3.12Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.35Å; L141-V158 HydrophobicContact CD2-CG1 4.32Å; L141-V163 HydrophobicContact CD1-CG2 4.01Å; L141-V163 HydrophobicContact CD2-CG2 4Å; L141-L172 HydrophobicContact CB-CD1 4.22Å; L141-L172 HydrophobicContact CB-CD2 4.4Å; L141-L172 HydrophobicContact CD1-CD2 4.43Å; L141-L174 HydrophobicContact CD1-CB 4.46Å; L141-L174 HydrophobicContact CD1-CD1 4.16Å; L141-L174 HydrophobicContact CD1-CD2 4.38Å; L141-L219 HydrophobicContact CB-CD1 4.48Å; L141-L219 HydrophobicContact CD2-CD1 3.42Å; L141-L219 VanDerWaalsContact CD2-CD1 3.42Å; L141-L219 HydrophobicContact CG-CD1 3.87Å; L141-M222 HydrophobicContact CD2-CE 4.1Å; L141-M222 HydrophobicContact CD2-SD 4.25Å |
| 142 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | 174.2 | -79.9 | 166.7 | 0 | 0 | 0 | 112.2 | M138 Y139 A144 L145 D146 M216 L219 A316 A319 M320 F325 | M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 VanDerWaalsContact O-CG 3.31Å; M138-L142 WeakPolarHBondContact O-CG 3.35Å; M138-L142 PolarHBondContact O-N 3.27Å; Y139-L142 WeakPolarHBondContact O-CB 3.44Å; Y139-L142 PolarHBondContact O-N 2.69Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.43Å; L142-L145 PolarHBondContact O-N 3Å; L142-D146 WeakPolarHBondContact O-CB 3.5Å; L142-D146 PolarHBondContact O-N 3.25Å; L142-M216 HydrophobicContact CD2-CE 3.72Å; L142-L219 HydrophobicContact CD2-CD2 3.37Å; L142-L219 HydrophobicContact CG-CD2 3.88Å; L142-A316 HydrophobicContact CD2-CB 4.17Å; L142-A319 HydrophobicContact CD1-CB 3.94Å; L142-A319 HydrophobicContact CD2-CB 3.71Å; L142-M320 HydrophobicContact CB-CG 3.51Å; L142-M320 HydrophobicContact CB-SD 3.98Å; L142-M320 HydrophobicContact CD1-CG 3.95Å; L142-M320 HydrophobicContact CG-CG 4.25Å; L142-F325 HydrophobicContact CD1-CD2 4.42Å; L142-F325 HydrophobicContact CD1-CE1 4.4Å; L142-F325 HydrophobicContact CD1-CE2 3.53Å; L142-F325 HydrophobicContact CD1-CZ 3.51Å |
| 143 | K | 98.9 | Very high | 98.8 | Very high | 42 Ų | 42 | 15.7 Ų | 15.7 | 18% | 0.183 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 172.7 | -69.8 | 175.2 | -178.5 | 172.9 | 0 | 112.3 | T93 Y139 E140 L141 Y147 M320 | T93-K143 HydrophobicContact CG2-CB 3.91Å; T93-K143 HydrophobicContact CG2-CD 4.03Å; Y139-K143 HydrophobicContact CE1-CD 4.44Å; Y139-K143 PolarHBondContact O-N 2.9Å; E140-K143 WeakPolarHBondContact OE1-CE 3.49Å; E140-K143 IonicContact OE1-NZ 3.25Å; E140-K143 PolarHBondContact OE1-NZ 2.93Å; E140-K143 IonicContact OE2-NZ 2.6Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 3.19Å; K143-Y147 VanDerWaalsContact O-CB 3.29Å; K143-Y147 WeakPolarHBondContact O-CB 3.36Å; K143-Y147 PolarHBondContact O-N 3.07Å; K143-M320 HydrophobicContact CG-CE 3.55Å; K143-M320 HydrophobicContact CG-SD 4.23Å |
| 144 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T93 N94 I95 E140 L141 L142 C148 L174 | T93-A144 WeakPolarHBondContact O-CA 3.25Å; N94-A144 HydrophobicContact CB-CB 4.06Å; I95-A144 HydrophobicContact CD1-CB 3.99Å; E140-A144 PolarHBondContact O-N 2.84Å; L141-A144 WeakPolarHBondContact O-CB 3.45Å; L141-A144 PolarHBondContact O-N 3.27Å; L141-A144 VanDerWaalsContact O-N 3.12Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.43Å; A144-C148 PolarHBondContact O-N 3.27Å; A144-L174 HydrophobicContact CB-CB 4.11Å; A144-L174 HydrophobicContact CB-CD2 4.25Å |
| 145 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68 | -48.8 | 178.7 | -69 | -178.9 | 0 | 0 | 0 | 112.1 | L141 L142 Y147 C148 H149 V158 L174 D215 M216 L219 A316 | L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.35Å; L142-L145 PolarHBondContact O-N 3Å; L145-Y147 VanDerWaalsContact C-N 3.28Å; L145-Y147 PolarHBondContact O-N 3.44Å; L145-C148 PolarHBondContact O-N 3.39Å; L145-C148 PolarHBondContact O-SG 3.41Å; L145-H149 VanDerWaalsContact O-CB 3.26Å; L145-H149 WeakPolarHBondContact O-CB 3.48Å; L145-H149 PolarHBondContact O-CD2 3.1Å; L145-H149 VanDerWaalsContact O-CD2 3.27Å; L145-H149 PolarHBondContact O-N 3.45Å; L145-H149 PolarHBondContact O-ND1 2.88Å; L145-V158 HydrophobicContact CD2-CG2 3.85Å; L145-L174 HydrophobicContact CD2-CD2 4.06Å; L145-D215 HydrophobicContact CD1-CB 4.5Å; L145-D215 HydrophobicContact CD2-CB 4.03Å; L145-M216 HydrophobicContact CD1-SD 4.24Å; L145-L219 HydrophobicContact CD1-CB 4.42Å; L145-L219 HydrophobicContact CD1-CD1 4.28Å; L145-L219 HydrophobicContact CD1-CD2 4.25Å; L145-A316 HydrophobicContact CB-CB 4.14Å |
| 146 | D | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 14.2 Ų | 14.2 | 19% | 0.193 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.4 | -175.7 | 57 | 0 | 0 | 0 | 111.4 | Y13 L142 H149 S150 A316 T317 M320 | Y13-D146 PolarHBondContact OH-OD1 3.17Å; L142-D146 WeakPolarHBondContact O-CB 3.5Å; L142-D146 PolarHBondContact O-N 3.25Å; D146-H149 PolarHBondContact O-N 2.96Å; D146-S150 VanDerWaalsContact O-CB 3.25Å; D146-S150 WeakPolarHBondContact O-CB 3.12Å; D146-S150 PolarHBondContact O-N 2.99Å; D146-S150 PolarHBondContact O-OG 3.47Å; D146-A316 HydrophobicContact CB-CB 3.66Å; D146-T317 PolarHBondContact OD1-OG1 3.24Å; D146-M320 HydrophobicContact CB-SD 4.47Å |
| 147 | Y | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 13.5 Ų | 13.5 | 25% | 0.247 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 175.1 | -175.7 | -94.7 | 0 | 0 | 0 | 112.2 | L89 I95 K143 L145 S150 M151 | L89-Y147 HydrophobicContact CB-CE1 4.36Å; L89-Y147 HydrophobicContact CD2-CD1 4.05Å; L89-Y147 HydrophobicContact CD2-CE1 3.85Å; I95-Y147 HydrophobicContact CD1-CD1 4.35Å; I95-Y147 HydrophobicContact CG1-CD1 3.91Å; I95-Y147 HydrophobicContact CG1-CE1 4.38Å; K143-Y147 VanDerWaalsContact O-CB 3.29Å; K143-Y147 WeakPolarHBondContact O-CB 3.36Å; K143-Y147 PolarHBondContact O-N 3.07Å; L145-Y147 VanDerWaalsContact C-N 3.28Å; L145-Y147 PolarHBondContact O-N 3.44Å; Y147-S150 PolarHBondContact O-OG 2.85Å; Y147-M151 HydrophobicContact CD1-CG 4.41Å; Y147-M151 HydrophobicContact CE1-CG 4.04Å; Y147-M151 HydrophobicContact CE2-CG 4.49Å; Y147-M151 WeakPolarHBondContact O-CB 3.2Å; Y147-M151 WeakPolarHBondContact O-CG 3.4Å; Y147-M151 PolarHBondContact O-N 3.01Å; Y147-M151 VanDerWaalsContact O-N 3.1Å |
| 148 | C | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -70.4 | -35.4 | -178.9 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | L89 A144 L145 M151 G152 I153 W177 | L89-C148 HydrophobicContact CD1-CB 3.98Å; L89-C148 HydrophobicContact CD2-CB 3.9Å; A144-C148 PolarHBondContact O-N 3.27Å; L145-C148 PolarHBondContact O-N 3.39Å; L145-C148 PolarHBondContact O-SG 3.41Å; C148-M151 CarbonylContact O-C 3.57Å; C148-M151 WeakPolarHBondContact O-CA 3.12Å; C148-M151 PolarHBondContact O-N 3.1Å; C148-G152 PolarHBondContact O-N 3.07Å; C148-I153 CarbonylContact C-O 3.53Å; C148-I153 VanDerWaalsContact C-O 3.28Å; C148-I153 PolarHBondContact O-N 3.36Å; C148-I153 VanDerWaalsContact O-O 3.1Å; C148-W177 HydrophobicContact CB-CH2 3.57Å; C148-W177 HydrophobicContact CB-CZ3 3.74Å |
| 149 | H | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.7 | -64.2 | 176.6 | 0 | 0 | 0 | 111.2 | Y13 L145 D146 M151 G152 I153 Y212 D215 | Y13-H149 WeakPolarHBondContact CB-O 3.47Å; Y13-H149 HydrophobicContact CD2-CB 3.87Å; Y13-H149 HydrophobicContact CE2-CB 4.1Å; L145-H149 VanDerWaalsContact O-CB 3.26Å; L145-H149 WeakPolarHBondContact O-CB 3.48Å; L145-H149 PolarHBondContact O-CD2 3.1Å; L145-H149 VanDerWaalsContact O-CD2 3.27Å; L145-H149 PolarHBondContact O-N 3.45Å; L145-H149 PolarHBondContact O-ND1 2.88Å; D146-H149 PolarHBondContact O-N 2.96Å; H149-M151 PolarHBondContact O-N 3.33Å; H149-G152 WeakPolarHBondContact O-CA 3.29Å; H149-G152 PolarHBondContact O-N 2.94Å; H149-I153 PolarHBondContact CD2-O 3.48Å; H149-Y212 HydrophobicContact CB-CD1 4.06Å; H149-Y212 HydrophobicContact CB-CG 4.09Å; H149-Y212 AromaticContact CD2-CD1 3.81Å; H149-Y212 PolarHBondContact CE1-O 2.86Å; H149-Y212 AromaticContact CG-CD1 3.98Å; H149-Y212 AromaticContact CG-CG 3.95Å; H149-D215 IonicContact CD2-OD2 2.99Å; H149-D215 IonicContact CE1-OD2 3.83Å; H149-D215 IonicContact NE2-OD2 3.48Å; H149-D215 PolarHBondContact NE2-OD2 3.02Å |
| 150 | S | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 13.4 Ų | 13.4 | 26% | 0.259 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -64.8 | -22.7 | 174.8 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | V16 D146 Y147 G152 | V16-S150 WeakPolarHBondContact CG1-O 3.23Å; D146-S150 VanDerWaalsContact O-CB 3.25Å; D146-S150 WeakPolarHBondContact O-CB 3.12Å; D146-S150 PolarHBondContact O-N 2.99Å; D146-S150 PolarHBondContact O-OG 3.47Å; Y147-S150 PolarHBondContact O-OG 2.85Å; S150-G152 VanDerWaalsContact C-N 3.28Å |
| 151 | M | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 17.3 Ų | 17.3 | 18% | 0.177 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6.8 | 171.5 | -68.4 | -65 | -83.6 | 0 | 0 | 113.4 | Y24 N88 L89 Y147 C148 H149 I153 | Y24-M151 WeakPolarHBondContact CE1-O 3.26Å; Y24-M151 HydrophobicContact CE2-CE 4.32Å; Y24-M151 WeakPolarHBondContact OH-CE 3.5Å; Y24-M151 PolarHBondContact OH-O 3.23Å; N88-M151 WeakPolarHBondContact O-CE 3.5Å; L89-M151 HydrophobicContact CD2-CB 3.67Å; L89-M151 HydrophobicContact CD2-CG 4.04Å; Y147-M151 HydrophobicContact CD1-CG 4.41Å; Y147-M151 HydrophobicContact CE1-CG 4.04Å; Y147-M151 HydrophobicContact CE2-CG 4.49Å; Y147-M151 WeakPolarHBondContact O-CB 3.2Å; Y147-M151 WeakPolarHBondContact O-CG 3.4Å; Y147-M151 PolarHBondContact O-N 3.01Å; Y147-M151 VanDerWaalsContact O-N 3.1Å; C148-M151 CarbonylContact O-C 3.57Å; C148-M151 WeakPolarHBondContact O-CA 3.12Å; C148-M151 PolarHBondContact O-N 3.1Å; H149-M151 PolarHBondContact O-N 3.33Å; M151-I153 HydrophobicContact CB-CD1 4.49Å |
| 152 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 22.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N17 C148 H149 S150 F182 Y183 Y212 | N17-G152 PolarHBondContact ND2-O 2.84Å; C148-G152 PolarHBondContact O-N 3.07Å; H149-G152 WeakPolarHBondContact O-CA 3.29Å; H149-G152 PolarHBondContact O-N 2.94Å; S150-G152 VanDerWaalsContact C-N 3.28Å; G152-F182 WeakPolarHBondContact O-CA 3.38Å; G152-Y183 PolarHBondContact O-N 3.48Å; G152-Y212 WeakPolarHBondContact CA-OH 3.25Å |
| 153 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130 | -171.9 | -66.6 | 157.8 | 0 | 0 | 0 | 110.4 | I85 N88 L89 C148 H149 M151 W177 A180 E181 F182 | I85-I153 HydrophobicContact CD1-CG2 4.18Å; I85-I153 HydrophobicContact CG1-CD1 4.24Å; I85-I153 HydrophobicContact CG1-CG1 4.39Å; I85-I153 HydrophobicContact CG1-CG2 4.37Å; I85-I153 HydrophobicContact CG2-CD1 4.22Å; I85-I153 HydrophobicContact CG2-CG2 3.94Å; N88-I153 HydrophobicContact CB-CD1 4.4Å; L89-I153 HydrophobicContact CD1-CD1 4.15Å; L89-I153 HydrophobicContact CD1-CG2 4.34Å; L89-I153 HydrophobicContact CD2-CD1 3.79Å; L89-I153 HydrophobicContact CG-CD1 3.8Å; C148-I153 CarbonylContact C-O 3.53Å; C148-I153 VanDerWaalsContact C-O 3.28Å; C148-I153 PolarHBondContact O-N 3.36Å; C148-I153 VanDerWaalsContact O-O 3.1Å; H149-I153 PolarHBondContact CD2-O 3.48Å; M151-I153 HydrophobicContact CB-CD1 4.49Å; I153-W177 HydrophobicContact CG2-CE3 4.35Å; I153-W177 HydrophobicContact CG2-CZ3 4.13Å; I153-A180 HydrophobicContact CG2-CB 4.18Å; I153-E181 WeakPolarHBondContact CA-O 3.3Å; I153-F182 HydrophobicContact CD1-CD1 4.39Å; I153-F182 HydrophobicContact CD1-CE1 3.85Å; I153-F182 HydrophobicContact CD1-CZ 4.37Å; I153-F182 HydrophobicContact CG1-CD1 3.79Å; I153-F182 HydrophobicContact CG1-CE1 3.76Å; I153-F182 HydrophobicContact CG1-CZ 4.46Å |
| 154 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.7 | 169 | -57.6 | 175.6 | -78.7 | 0 | 0 | 109.6 | R156 A180 E181 Y183 Y189 Y210 D211 Y212 | M154-R156 HydrophobicContact CB-CG 3.7Å; M154-A180 CarbonylContact O-C 3.17Å; M154-A180 WeakPolarHBondContact O-CA 3.25Å; M154-A180 VanDerWaalsContact O-CB 3.24Å; M154-A180 WeakPolarHBondContact O-CB 3.38Å; M154-E181 HydrophobicContact CE-CB 4.43Å; M154-E181 PolarHBondContact N-O 3.24Å; M154-E181 PolarHBondContact O-N 3.39Å; M154-Y183 HydrophobicContact CE-CD2 4.12Å; M154-Y183 HydrophobicContact SD-CD2 4.19Å; M154-Y189 HydrophobicContact CE-CD1 4.08Å; M154-Y189 HydrophobicContact CE-CD2 4.14Å; M154-Y189 HydrophobicContact CE-CE1 3.76Å; M154-Y189 HydrophobicContact CE-CE2 3.84Å; M154-Y189 HydrophobicContact CE-CG 4.26Å; M154-Y210 HydrophobicContact CE-CE2 4.48Å; M154-Y210 HydrophobicContact SD-CD2 4.19Å; M154-Y210 HydrophobicContact SD-CE2 4.26Å; M154-D211 VanDerWaalsContact SD-CA 3.55Å; M154-Y212 HydrophobicContact CB-CD1 4.48Å; M154-Y212 HydrophobicContact CG-CD1 3.46Å; M154-Y212 VanDerWaalsContact CG-CD1 3.46Å; M154-Y212 HydrophobicContact CG-CE1 3.99Å; M154-Y212 HydrophobicContact CG-CG 4.27Å |
| 155 | H | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -75.6 | -44.6 | 178.7 | -175 | -92.8 | 0 | 0 | 0 | 112.1 | D157 V158 I175 W177 L179 A180 D215 | H155-D157 PolarHBondContact CE1-O 2.88Å; H155-D157 VanDerWaalsContact ND1-C 3.28Å; H155-D157 PolarHBondContact ND1-N 3.06Å; H155-D157 PolarHBondContact O-N 2.82Å; H155-V158 HydrophobicContact CB-CG2 3.94Å; H155-V158 PolarHBondContact ND1-N 3.25Å; H155-I175 PolarHBondContact NE2-O 3.11Å; H155-W177 HydrophobicContact CB-CZ3 4.21Å; H155-W177 AromaticContact CD2-CD2 3.79Å; H155-W177 AromaticContact CD2-CE2 3.91Å; H155-W177 AromaticContact CD2-CE3 3.65Å; H155-W177 AromaticContact CD2-CH2 3.8Å; H155-W177 AromaticContact CD2-CZ2 3.91Å; H155-W177 AromaticContact CD2-CZ3 3.66Å; H155-L179 CarbonylContact O-C 3.56Å; H155-A180 VanDerWaalsContact O-CA 3.31Å; H155-A180 WeakPolarHBondContact O-CA 3.49Å; H155-A180 PolarHBondContact O-N 3.36Å; H155-D215 PolarHBondContact N-OD2 3.17Å | ||
| 156 | R | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 62.5 | 11.7 | 175.7 | -48.6 | -165 | -59.8 | -177 | -10.2 | 116.9 | M154 L179 E181 V193 A194 Y210 L214 D215 | M154-R156 HydrophobicContact CB-CG 3.7Å; R156-L179 VanDerWaalsContact CZ-O 3.22Å; R156-L179 PolarHBondContact NE-O 2.7Å; R156-L179 PolarHBondContact NH2-O 3.41Å; R156-E181 IonicContact NH2-OE2 3.66Å; R156-E181 PolarHBondContact NH2-OE2 2.83Å; R156-V193 HydrophobicContact CB-CB 4.25Å; R156-V193 HydrophobicContact CB-CG2 4.17Å; R156-A194 WeakPolarHBondContact O-CA 3.29Å; R156-A194 WeakPolarHBondContact O-CB 3.47Å; R156-A194 PolarHBondContact O-N 3.26Å; R156-Y210 PolarHBondContact NH1-OH 2.99Å; R156-L214 HydrophobicContact CB-CD2 4.26Å; R156-L214 HydrophobicContact CG-CD2 4.16Å; R156-D215 WeakPolarHBondContact CA-OD1 3.43Å; R156-D215 PolarHBondContact N-OD1 3Å |
| 157 | D | 98.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.043 | 10% | 0.099 | C | C | . | . | trans | -150.5 | 39.7 | 172.6 | -160.4 | 27.6 | 0 | 0 | 0 | 112.2 | H155 K159 N162 L179 A194 S195 | H155-D157 PolarHBondContact CE1-O 2.88Å; H155-D157 VanDerWaalsContact ND1-C 3.28Å; H155-D157 PolarHBondContact ND1-N 3.06Å; H155-D157 PolarHBondContact O-N 2.82Å; D157-K159 PolarHBondContact O-N 3.2Å; D157-K159 IonicContact OD1-NZ 3.74Å; D157-K159 PolarHBondContact OD1-NZ 3.39Å; D157-K159 IonicContact OD2-NZ 3.87Å; D157-K159 PolarHBondContact OD2-NZ 3.01Å; D157-N162 PolarHBondContact O-ND2 3.01Å; D157-N162 PolarHBondContact OD2-ND2 3.1Å; D157-L179 HydrophobicContact CB-CB 4.23Å; D157-L179 HydrophobicContact CB-CD1 3.95Å; D157-A194 WeakPolarHBondContact OD1-CA 3.47Å; D157-S195 PolarHBondContact OD1-N 3.26Å; D157-S195 VanDerWaalsContact OD1-N 3.12Å | ||
| 158 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -66.9 | 123.6 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 109 | L141 L145 H155 D215 S218 M222 | L141-V158 HydrophobicContact CD2-CG1 4.32Å; L145-V158 HydrophobicContact CD2-CG2 3.85Å; H155-V158 HydrophobicContact CB-CG2 3.94Å; H155-V158 PolarHBondContact ND1-N 3.25Å; V158-D215 HydrophobicContact CG2-CB 3.98Å; V158-S218 WeakPolarHBondContact O-CB 3.31Å; V158-M222 HydrophobicContact CG1-SD 3.88Å | ||
| 159 | K | 97.3 | Very high | 97.2 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 10% | 0.104 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -168.2 | 163.7 | -179.9 | 65.3 | -166.7 | 178.8 | -150.9 | 0 | 109.8 | D157 H161 N162 S195 F198 M222 | D157-K159 PolarHBondContact O-N 3.2Å; D157-K159 IonicContact OD1-NZ 3.74Å; D157-K159 PolarHBondContact OD1-NZ 3.39Å; D157-K159 IonicContact OD2-NZ 3.87Å; D157-K159 PolarHBondContact OD2-NZ 3.01Å; K159-H161 VanDerWaalsContact C-N 3.27Å; K159-H161 HydrophobicContact CG-CB 4.34Å; K159-H161 PolarHBondContact O-N 3.38Å; K159-H161 VanDerWaalsContact O-N 3.14Å; K159-N162 WeakPolarHBondContact CE-ND2 3.13Å; K159-N162 HydrophobicContact CG-CB 4.2Å; K159-N162 PolarHBondContact O-N 3.02Å; K159-S195 WeakPolarHBondContact CD-OG 3.35Å; K159-S195 PolarHBondContact NZ-OG 2.81Å; K159-F198 HydrophobicContact CB-CD1 4.28Å; K159-F198 HydrophobicContact CB-CD2 3.63Å; K159-F198 HydrophobicContact CB-CE1 4.32Å; K159-F198 HydrophobicContact CB-CE2 3.68Å; K159-F198 HydrophobicContact CB-CG 3.96Å; K159-F198 HydrophobicContact CB-CZ 4.04Å; K159-M222 VanDerWaalsContact C-SD 3.56Å; K159-M222 VanDerWaalsContact CA-SD 3.58Å |
| 160 | P | 96 | Very high | 97 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -54.6 | -39.3 | -176.8 | -27.1 | 35 | 0 | 0 | 0 | 114 | F122 Y126 N162 V163 F198 M222 | F122-P160 HydrophobicContact CB-CB 4.31Å; F122-P160 HydrophobicContact CD1-CB 4.36Å; F122-P160 HydrophobicContact CD2-CB 3.43Å; F122-P160 VanDerWaalsContact CD2-CB 3.43Å; F122-P160 HydrophobicContact CD2-CG 4.42Å; F122-P160 HydrophobicContact CE2-CB 3.87Å; F122-P160 HydrophobicContact CG-CB 3.74Å; F122-P160 HydrophobicContact CZ-CB 4.48Å; Y126-P160 HydrophobicContact CE1-CB 4.47Å; Y126-P160 HydrophobicContact CE2-CG 4.49Å; P160-N162 PolarHBondContact O-N 3.23Å; P160-N162 VanDerWaalsContact O-N 3.17Å; P160-V163 PolarHBondContact O-N 3.41Å; P160-V163 VanDerWaalsContact O-N 3.08Å; P160-F198 HydrophobicContact CG-CE1 4.44Å; P160-F198 HydrophobicContact CG-CZ 4.04Å; P160-M222 HydrophobicContact CB-CE 4.48Å; P160-M222 HydrophobicContact CG-CE 4.16Å; P160-M222 HydrophobicContact CG-CG 4.19Å |
| 161 | H | 94.3 | Very high | 96.9 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 47% | 0.468 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -64.9 | -21 | 179.9 | -65.1 | 71 | 0 | 0 | 0 | 114.1 | F122 K159 M164 | F122-H161 AromaticContact CE1-CD2 3.56Å; F122-H161 AromaticContact CE1-CE1 3.35Å; F122-H161 WeakPolarHBondContact CE1-CE1 3.33Å; F122-H161 AromaticContact CE1-CG 3.63Å; F122-H161 AromaticContact CE1-ND1 3.48Å; F122-H161 WeakPolarHBondContact CE1-ND1 3.45Å; F122-H161 AromaticContact CE1-NE2 3.42Å; F122-H161 WeakPolarHBondContact CE1-NE2 3.25Å; F122-H161 AromaticContact CZ-CE1 3.12Å; F122-H161 WeakPolarHBondContact CZ-CE1 3.48Å; F122-H161 AromaticContact CZ-ND1 3.51Å; F122-H161 AromaticContact CZ-NE2 3.57Å; K159-H161 VanDerWaalsContact C-N 3.27Å; K159-H161 HydrophobicContact CG-CB 4.34Å; K159-H161 PolarHBondContact O-N 3.38Å; K159-H161 VanDerWaalsContact O-N 3.14Å; H161-M164 WeakPolarHBondContact O-CE 3.47Å |
| 162 | N | 97.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -100.1 | 9.1 | 179.3 | -72.9 | -7.2 | 0 | 0 | 0 | 112.1 | D157 K159 P160 L174 I175 | D157-N162 PolarHBondContact O-ND2 3.01Å; D157-N162 PolarHBondContact OD2-ND2 3.1Å; K159-N162 WeakPolarHBondContact CE-ND2 3.13Å; K159-N162 HydrophobicContact CG-CB 4.2Å; K159-N162 PolarHBondContact O-N 3.02Å; P160-N162 PolarHBondContact O-N 3.23Å; P160-N162 VanDerWaalsContact O-N 3.17Å; N162-L174 WeakPolarHBondContact O-CD1 3.04Å; N162-I175 HydrophobicContact CB-CG1 4.21Å; N162-I175 VanDerWaalsContact O-CG1 3.25Å; N162-I175 WeakPolarHBondContact O-CG1 3.39Å; N162-I175 PolarHBondContact O-N 3.29Å |
| 163 | V | 97.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 100.1 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 108 | L141 P160 I165 L172 L174 M222 | L141-V163 HydrophobicContact CD1-CG2 4.01Å; L141-V163 HydrophobicContact CD2-CG2 4Å; P160-V163 PolarHBondContact O-N 3.41Å; P160-V163 VanDerWaalsContact O-N 3.08Å; V163-I165 HydrophobicContact CG1-CD1 4.24Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å; V163-L172 HydrophobicContact CG1-CD1 3.49Å; V163-L172 VanDerWaalsContact CG1-CD1 3.49Å; V163-L172 HydrophobicContact CG1-CD2 4.08Å; V163-L172 HydrophobicContact CG1-CG 3.69Å; V163-L174 HydrophobicContact CG2-CD1 4.31Å; V163-M222 HydrophobicContact CG2-CE 4.02Å |
| 164 | M | 96.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 21% | 0.212 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.1 | 178.9 | -65.8 | -69.4 | 144 | 0 | 0 | 109.4 | I117 N119 H161 L172 R173 I175 | I117-M164 HydrophobicContact CB-CB 4.42Å; I117-M164 HydrophobicContact CG2-CB 3.98Å; N119-M164 HydrophobicContact CB-SD 3.59Å; N119-M164 VanDerWaalsContact CB-SD 3.59Å; N119-M164 VanDerWaalsContact OD1-CA 3.29Å; N119-M164 WeakPolarHBondContact OD1-CA 3.27Å; N119-M164 PolarHBondContact OD1-SD 2.99Å; N119-M164 VanDerWaalsContact OD1-SD 3.36Å; H161-M164 WeakPolarHBondContact O-CE 3.47Å; M164-L172 CarbonylContact O-C 3.57Å; M164-L172 WeakPolarHBondContact O-CA 3.45Å; M164-R173 HydrophobicContact CB-CB 4.4Å; M164-R173 PolarHBondContact N-O 3.08Å; M164-R173 PolarHBondContact O-N 3.45Å; M164-I175 HydrophobicContact CB-CG2 4.37Å; M164-I175 HydrophobicContact CE-CD1 3.33Å; M164-I175 HydrophobicContact CE-CG1 4.23Å; M164-I175 HydrophobicContact CG-CD1 3.95Å; M164-I175 HydrophobicContact CG-CG1 4.11Å; M164-I175 HydrophobicContact CG-CG2 3.66Å; M164-I175 HydrophobicContact SD-CD1 4.4Å |
| 165 | I | 96.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119 | -177.5 | -62.5 | 172.8 | 0 | 0 | 0 | 109.7 | N119 T120 L125 Y137 V163 H167 K171 L172 | N119-I165 WeakPolarHBondContact CA-O 3.33Å; N119-I165 PolarHBondContact OD1-N 2.81Å; T120-I165 PolarHBondContact N-O 2.91Å; L125-I165 HydrophobicContact CD2-CB 3.86Å; L125-I165 HydrophobicContact CD2-CD1 3.82Å; L125-I165 HydrophobicContact CD2-CG1 4.44Å; L125-I165 HydrophobicContact CD2-CG2 3.66Å; Y137-I165 HydrophobicContact CD1-CD1 4.07Å; Y137-I165 HydrophobicContact CD1-CG1 4.26Å; Y137-I165 HydrophobicContact CD1-CG2 4.07Å; Y137-I165 HydrophobicContact CD2-CD1 4.36Å; Y137-I165 HydrophobicContact CE1-CG1 4.46Å; Y137-I165 HydrophobicContact CE1-CG2 3.46Å; Y137-I165 VanDerWaalsContact CE1-CG2 3.46Å; Y137-I165 HydrophobicContact CE2-CG2 4.2Å; Y137-I165 HydrophobicContact CG-CD1 4Å; V163-I165 HydrophobicContact CG1-CD1 4.24Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å; I165-H167 HydrophobicContact CG2-CB 4.23Å; I165-K171 WeakPolarHBondContact CA-O 3.41Å; I165-L172 HydrophobicContact CD1-CD1 4.48Å; I165-L172 HydrophobicContact CG1-CD1 4.25Å; I165-L172 HydrophobicContact CG1-CG 4.4Å |
| 166 | D | 95.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 95.3 | 160.7 | -177.1 | -26.4 | 0 | 0 | 0 | 107.2 | N118 Q168 M169 R170 K171 | N118-D166 WeakPolarHBondContact O-CA 3.44Å; N118-D166 WeakPolarHBondContact O-CB 3.31Å; D166-Q168 VanDerWaalsContact C-N 3.29Å; D166-Q168 PolarHBondContact O-N 2.86Å; D166-Q168 PolarHBondContact OD1-N 2.76Å; D166-M169 HydrophobicContact CB-CB 4.42Å; D166-M169 PolarHBondContact O-N 3.12Å; D166-M169 PolarHBondContact OD1-N 3.4Å; D166-M169 WeakPolarHBondContact OD2-CG 3.43Å; D166-R170 WeakPolarHBondContact O-CA 3.38Å; D166-R170 PolarHBondContact O-N 3.24Å; D166-K171 HydrophobicContact CB-CB 4.28Å; D166-K171 PolarHBondContact N-O 2.94Å; D166-K171 PolarHBondContact O-N 3.35Å |
| 167 | H | 95 | Very high | 96.7 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -30.9 | -174 | -171.7 | 68.6 | 0 | 0 | 0 | 112.1 | L125 D133 Y137 I165 R170 | L125-H167 HydrophobicContact CD1-CB 3.95Å; D133-H167 IonicContact OD1-CE1 2.67Å; Y137-H167 AromaticContact CE2-ND1 3.51Å; Y137-H167 AromaticContact CZ-ND1 3.6Å; Y137-H167 WeakPolarHBondContact OH-CA 3.41Å; Y137-H167 PolarHBondContact OH-ND1 3.45Å; I165-H167 HydrophobicContact CG2-CB 4.23Å; H167-R170 PolarHBondContact O-N 3.25Å |
| 168 | Q | 93 | Very high | 96.6 | Very high | 169 Ų | 169 | 41.2 Ų | 41.2 | 79% | 0.79 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -41.9 | 178.1 | -174.5 | -179.5 | 5.7 | 0 | 0 | 111.2 | D166 | D166-Q168 VanDerWaalsContact C-N 3.29Å; D166-Q168 PolarHBondContact O-N 2.86Å; D166-Q168 PolarHBondContact OD1-N 2.76Å |
| 169 | M | 94.5 | Very high | 96.6 | Very high | 109 Ų | 109 | 42.8 Ų | 42.8 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.7 | 177.8 | -59.7 | -162.7 | 81.2 | 0 | 0 | 114 | D166 K171 | D166-M169 HydrophobicContact CB-CB 4.42Å; D166-M169 PolarHBondContact O-N 3.12Å; D166-M169 PolarHBondContact OD1-N 3.4Å; D166-M169 WeakPolarHBondContact OD2-CG 3.43Å; M169-K171 VanDerWaalsContact C-N 3.27Å; M169-K171 HydrophobicContact CB-CD 4.03Å; M169-K171 HydrophobicContact CB-CG 4.01Å; M169-K171 PolarHBondContact O-N 3.45Å; M169-K171 HydrophobicContact SD-CD 4.29Å |
| 170 | R | 94.3 | Very high | 96.6 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 28% | 0.275 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42 | -171.4 | -56.3 | -173 | 68.5 | 79.1 | -2.6 | 113.3 | D133 F136 D166 H167 | D133-R170 IonicContact OD1-CZ 2.72Å; D133-R170 IonicContact OD1-NH1 3.61Å; D133-R170 PolarHBondContact OD1-NH1 2.96Å; D133-R170 IonicContact OD1-NH2 2.72Å; D133-R170 PolarHBondContact OD1-NH2 3.29Å; F136-R170 VanDerWaalsContact CB-NH2 3.28Å; F136-R170 VanDerWaalsContact CD1-NH2 3.33Å; F136-R170 HydrophobicContact CE1-CB 3.8Å; F136-R170 WeakPolarHBondContact CE1-O 3.42Å; F136-R170 HydrophobicContact CZ-CB 3.9Å; D166-R170 WeakPolarHBondContact O-CA 3.38Å; D166-R170 PolarHBondContact O-N 3.24Å; H167-R170 PolarHBondContact O-N 3.25Å |
| 171 | K | 95.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 42% | 0.422 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.3 | 179.1 | -68.4 | 177.1 | 179.5 | 172.5 | 0 | 111.4 | I165 D166 M169 | I165-K171 WeakPolarHBondContact CA-O 3.41Å; D166-K171 HydrophobicContact CB-CB 4.28Å; D166-K171 PolarHBondContact N-O 2.94Å; D166-K171 PolarHBondContact O-N 3.35Å; M169-K171 VanDerWaalsContact C-N 3.27Å; M169-K171 HydrophobicContact CB-CD 4.03Å; M169-K171 HydrophobicContact CB-CG 4.01Å; M169-K171 PolarHBondContact O-N 3.45Å; M169-K171 HydrophobicContact SD-CD 4.29Å |
| 172 | L | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.9 | 177 | -174.3 | 149.6 | 0 | 0 | 0 | 110.7 | N94 Y137 E140 L141 V163 M164 I165 | N94-L172 HydrophobicContact CB-CD2 4.13Å; N94-L172 WeakPolarHBondContact CB-O 3.37Å; N94-L172 PolarHBondContact OD1-O 3.28Å; Y137-L172 HydrophobicContact CD1-CB 4.47Å; Y137-L172 HydrophobicContact CD1-CD1 4.06Å; Y137-L172 WeakPolarHBondContact O-CD1 3.48Å; E140-L172 HydrophobicContact CB-CB 4.1Å; E140-L172 HydrophobicContact CB-CD1 4.21Å; L141-L172 HydrophobicContact CB-CD1 4.22Å; L141-L172 HydrophobicContact CB-CD2 4.4Å; L141-L172 HydrophobicContact CD1-CD2 4.43Å; V163-L172 HydrophobicContact CG1-CD1 3.49Å; V163-L172 VanDerWaalsContact CG1-CD1 3.49Å; V163-L172 HydrophobicContact CG1-CD2 4.08Å; V163-L172 HydrophobicContact CG1-CG 3.69Å; M164-L172 CarbonylContact O-C 3.57Å; M164-L172 WeakPolarHBondContact O-CA 3.45Å; I165-L172 HydrophobicContact CD1-CD1 4.48Å; I165-L172 HydrophobicContact CG1-CD1 4.25Å; I165-L172 HydrophobicContact CG1-CG 4.4Å |
| 173 | R | 98.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 19% | 0.189 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.9 | 167.1 | -67.5 | -65.1 | -176 | -93.9 | 2.7 | 111.2 | N94 I95 I96 E115 I117 M164 I175 | N94-R173 CarbonylContact O-C 3.6Å; N94-R173 WeakPolarHBondContact O-CA 3.38Å; N94-R173 PolarHBondContact OD1-NH1 3.45Å; I95-R173 WeakPolarHBondContact O-CD 3.42Å; I96-R173 HydrophobicContact CD1-CB 4.29Å; I96-R173 HydrophobicContact CD1-CG 4.3Å; E115-R173 IonicContact OE1-CZ 3.41Å; E115-R173 IonicContact OE1-NE 2.64Å; E115-R173 PolarHBondContact OE1-NE 3.13Å; I117-R173 HydrophobicContact CD1-CG 3.61Å; I117-R173 HydrophobicContact CG1-CB 4.4Å; I117-R173 HydrophobicContact CG1-CG 3.95Å; M164-R173 HydrophobicContact CB-CB 4.4Å; M164-R173 PolarHBondContact N-O 3.08Å; M164-R173 PolarHBondContact O-N 3.45Å; R173-I175 HydrophobicContact CB-CG2 4.37Å |
| 174 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122.6 | 165.2 | -177.4 | 58.8 | 0 | 0 | 0 | 109.4 | N94 I96 L141 A144 L145 N162 V163 W177 | N94-L174 PolarHBondContact O-N 2.97Å; I96-L174 WeakPolarHBondContact CG2-O 3.4Å; I96-L174 PolarHBondContact N-O 3.41Å; L141-L174 HydrophobicContact CD1-CB 4.46Å; L141-L174 HydrophobicContact CD1-CD1 4.16Å; L141-L174 HydrophobicContact CD1-CD2 4.38Å; A144-L174 HydrophobicContact CB-CB 4.11Å; A144-L174 HydrophobicContact CB-CD2 4.25Å; L145-L174 HydrophobicContact CD2-CD2 4.06Å; N162-L174 WeakPolarHBondContact O-CD1 3.04Å; V163-L174 HydrophobicContact CG2-CD1 4.31Å; L174-W177 HydrophobicContact CB-CZ2 4.27Å; L174-W177 HydrophobicContact CD2-CH2 3.8Å; L174-W177 HydrophobicContact CD2-CZ2 3.7Å; L174-W177 HydrophobicContact CG-CH2 4.42Å; L174-W177 HydrophobicContact CG-CZ2 3.84Å; L174-W177 PolarHBondContact O-NE1 3.18Å |
| 175 | I | 98.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 38 Ų | 38 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | trans | -118.5 | 174.3 | -175 | 67.4 | 151.4 | 0 | 0 | 0 | 112.2 | I96 H155 N162 M164 R173 | I96-I175 HydrophobicContact CB-CG2 3.87Å; I96-I175 HydrophobicContact CD1-CG2 4.12Å; I96-I175 HydrophobicContact CG1-CG2 4.03Å; I96-I175 HydrophobicContact CG2-CB 4.43Å; I96-I175 HydrophobicContact CG2-CG2 4.27Å; H155-I175 PolarHBondContact NE2-O 3.11Å; N162-I175 HydrophobicContact CB-CG1 4.21Å; N162-I175 VanDerWaalsContact O-CG1 3.25Å; N162-I175 WeakPolarHBondContact O-CG1 3.39Å; N162-I175 PolarHBondContact O-N 3.29Å; M164-I175 HydrophobicContact CB-CG2 4.37Å; M164-I175 HydrophobicContact CE-CD1 3.33Å; M164-I175 HydrophobicContact CE-CG1 4.23Å; M164-I175 HydrophobicContact CG-CD1 3.95Å; M164-I175 HydrophobicContact CG-CG1 4.11Å; M164-I175 HydrophobicContact CG-CG2 3.66Å; M164-I175 HydrophobicContact SD-CD1 4.4Å; R173-I175 HydrophobicContact CB-CG2 4.37Å | ||
| 176 | D | 96.6 | Very high | 97.1 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | trans | 60.4 | 67.9 | 174.7 | -160.4 | 10.1 | 0 | 0 | 0 | 115.6 | K69 G178 | K69-D176 IonicContact NZ-OD1 3.49Å; K69-D176 PolarHBondContact NZ-OD1 3.23Å; D176-G178 PolarHBondContact O-N 2.69Å; D176-G178 VanDerWaalsContact O-N 3.13Å | ||
| 177 | W | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -77.9 | 12.4 | 177.3 | -61.9 | 82.3 | 0 | 0 | 0 | 113.9 | I85 L86 L89 I95 C148 I153 H155 L174 L179 A180 | I85-W177 HydrophobicContact CG2-CB 4.13Å; I85-W177 HydrophobicContact CG2-CD2 4.24Å; I85-W177 HydrophobicContact CG2-CE3 3.75Å; I85-W177 HydrophobicContact CG2-CG 4.41Å; L86-W177 HydrophobicContact CD2-CB 4.2Å; L86-W177 VanDerWaalsContact CD2-CD1 3.41Å; L86-W177 HydrophobicContact CD2-CG 3.87Å; L86-W177 HydrophobicContact CG-CB 4.24Å; L86-W177 HydrophobicContact CG-CG 4.4Å; L89-W177 HydrophobicContact CD1-CD2 3.99Å; L89-W177 HydrophobicContact CD1-CE3 3.51Å; L89-W177 HydrophobicContact CD1-CH2 3.55Å; L89-W177 HydrophobicContact CD1-CZ2 4.01Å; L89-W177 HydrophobicContact CD1-CZ3 3.27Å; I95-W177 HydrophobicContact CD1-CH2 3.7Å; I95-W177 HydrophobicContact CD1-CZ2 3.43Å; I95-W177 VanDerWaalsContact CD1-CZ2 3.43Å; I95-W177 HydrophobicContact CG2-CZ2 3.93Å; C148-W177 HydrophobicContact CB-CH2 3.57Å; C148-W177 HydrophobicContact CB-CZ3 3.74Å; I153-W177 HydrophobicContact CG2-CE3 4.35Å; I153-W177 HydrophobicContact CG2-CZ3 4.13Å; H155-W177 HydrophobicContact CB-CZ3 4.21Å; H155-W177 AromaticContact CD2-CD2 3.79Å; H155-W177 AromaticContact CD2-CE2 3.91Å; H155-W177 AromaticContact CD2-CE3 3.65Å; H155-W177 AromaticContact CD2-CH2 3.8Å; H155-W177 AromaticContact CD2-CZ2 3.91Å; H155-W177 AromaticContact CD2-CZ3 3.66Å; L174-W177 HydrophobicContact CB-CZ2 4.27Å; L174-W177 HydrophobicContact CD2-CH2 3.8Å; L174-W177 HydrophobicContact CD2-CZ2 3.7Å; L174-W177 HydrophobicContact CG-CH2 4.42Å; L174-W177 HydrophobicContact CG-CZ2 3.84Å; L174-W177 PolarHBondContact O-NE1 3.18Å; W177-L179 PolarHBondContact O-N 3.44Å; W177-A180 HydrophobicContact CB-CB 4.28Å; W177-A180 HydrophobicContact CE3-CB 3.8Å; W177-A180 VanDerWaalsContact O-CB 3.3Å; W177-A180 WeakPolarHBondContact O-CB 3.21Å; W177-A180 PolarHBondContact O-N 3.44Å; W177-A180 VanDerWaalsContact O-N 3.11Å |
| 178 | G | 97.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 47 Ų | 47 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -68.2 | -19.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K78 R81 E82 D176 | K78-G178 WeakPolarHBondContact CE-O 3.45Å; R81-G178 PolarHBondContact NH2-O 2.88Å; R81-G178 VanDerWaalsContact NH2-O 3.09Å; E82-G178 WeakPolarHBondContact OE2-CA 3.18Å; D176-G178 PolarHBondContact O-N 2.69Å; D176-G178 VanDerWaalsContact O-N 3.13Å |
| 179 | L | 97.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -102.2 | -6.1 | 173 | -66.3 | -174.5 | 0 | 0 | 0 | 113.7 | H155 R156 D157 W177 | H155-L179 CarbonylContact O-C 3.56Å; R156-L179 VanDerWaalsContact CZ-O 3.22Å; R156-L179 PolarHBondContact NE-O 2.7Å; R156-L179 PolarHBondContact NH2-O 3.41Å; D157-L179 HydrophobicContact CB-CB 4.23Å; D157-L179 HydrophobicContact CB-CD1 3.95Å; W177-L179 PolarHBondContact O-N 3.44Å |
| 180 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -62.1 | 160.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R81 I85 I153 M154 H155 W177 | R81-A180 WeakPolarHBondContact CD-O 3.39Å; R81-A180 PolarHBondContact NE-O 2.92Å; I85-A180 HydrophobicContact CD1-CB 3.66Å; I85-A180 HydrophobicContact CG2-CB 4.2Å; I153-A180 HydrophobicContact CG2-CB 4.18Å; M154-A180 CarbonylContact O-C 3.17Å; M154-A180 WeakPolarHBondContact O-CA 3.25Å; M154-A180 VanDerWaalsContact O-CB 3.24Å; M154-A180 WeakPolarHBondContact O-CB 3.38Å; H155-A180 VanDerWaalsContact O-CA 3.31Å; H155-A180 WeakPolarHBondContact O-CA 3.49Å; H155-A180 PolarHBondContact O-N 3.36Å; W177-A180 HydrophobicContact CB-CB 4.28Å; W177-A180 HydrophobicContact CE3-CB 3.8Å; W177-A180 VanDerWaalsContact O-CB 3.3Å; W177-A180 WeakPolarHBondContact O-CB 3.21Å; W177-A180 PolarHBondContact O-N 3.44Å; W177-A180 VanDerWaalsContact O-N 3.11Å | ||
| 181 | E | 98.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 153 | -179.5 | -164.2 | 63.1 | -97.9 | 0 | 0 | 112.3 | Y27 R81 I153 M154 R156 Y189 | Y27-E181 WeakPolarHBondContact CE1-OE1 3.41Å; Y27-E181 PolarHBondContact OH-OE1 3.46Å; R81-E181 VanDerWaalsContact CD-CD 3.47Å; R81-E181 WeakPolarHBondContact CD-OE1 3.14Å; R81-E181 VanDerWaalsContact CD-OE2 3.3Å; R81-E181 WeakPolarHBondContact CD-OE2 3.37Å; R81-E181 IonicContact CZ-OE2 3.47Å; R81-E181 IonicContact NE-OE2 3.89Å; R81-E181 IonicContact NH1-OE2 3.03Å; R81-E181 PolarHBondContact NH1-OE2 2.62Å; I153-E181 WeakPolarHBondContact CA-O 3.3Å; M154-E181 HydrophobicContact CE-CB 4.43Å; M154-E181 PolarHBondContact N-O 3.24Å; M154-E181 PolarHBondContact O-N 3.39Å; R156-E181 IonicContact NH2-OE2 3.66Å; R156-E181 PolarHBondContact NH2-OE2 2.83Å; E181-Y189 HydrophobicContact CB-CE1 4.45Å; E181-Y189 HydrophobicContact CG-CD1 3.88Å; E181-Y189 HydrophobicContact CG-CE1 3.6Å |
| 182 | F | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.9 | 169.4 | -65.3 | -85.3 | 0 | 0 | 0 | 110.9 | Y24 W25 Y27 K84 I85 N88 G152 I153 Y189 | Y24-F182 HydrophobicContact CD1-CD1 4.45Å; Y24-F182 HydrophobicContact CD1-CE1 4.05Å; Y24-F182 HydrophobicContact CE1-CD1 4.2Å; Y24-F182 AromaticContact CE1-CE1 3.78Å; Y24-F182 HydrophobicContact CE1-CE1 3.78Å; Y24-F182 WeakPolarHBondContact O-CZ 3.49Å; W25-F182 HydrophobicContact CB-CB 4.19Å; W25-F182 HydrophobicContact CB-CD1 3.7Å; W25-F182 HydrophobicContact CB-CD2 4.34Å; W25-F182 HydrophobicContact CB-CE1 4.14Å; W25-F182 HydrophobicContact CB-CG 3.8Å; Y27-F182 AromaticContact CD1-CD2 3.71Å; Y27-F182 HydrophobicContact CD1-CD2 3.71Å; Y27-F182 AromaticContact CD1-CE2 3.77Å; Y27-F182 HydrophobicContact CD1-CE2 3.77Å; Y27-F182 HydrophobicContact CE1-CD2 4.06Å; K84-F182 HydrophobicContact CG-CE2 4.45Å; K84-F182 HydrophobicContact CG-CZ 4.16Å; I85-F182 HydrophobicContact CD1-CD2 4.43Å; I85-F182 HydrophobicContact CD1-CE2 4.14Å; I85-F182 HydrophobicContact CG1-CD2 4.26Å; I85-F182 HydrophobicContact CG1-CE1 4.46Å; I85-F182 HydrophobicContact CG1-CE2 3.54Å; I85-F182 HydrophobicContact CG1-CZ 3.66Å; N88-F182 WeakPolarHBondContact ND2-CE1 3.46Å; N88-F182 WeakPolarHBondContact ND2-CZ 3.36Å; G152-F182 WeakPolarHBondContact O-CA 3.38Å; I153-F182 HydrophobicContact CD1-CD1 4.39Å; I153-F182 HydrophobicContact CD1-CE1 3.85Å; I153-F182 HydrophobicContact CD1-CZ 4.37Å; I153-F182 HydrophobicContact CG1-CD1 3.79Å; I153-F182 HydrophobicContact CG1-CE1 3.76Å; I153-F182 HydrophobicContact CG1-CZ 4.46Å; F182-Y189 WeakPolarHBondContact O-CE1 3.41Å; F182-Y189 PolarHBondContact O-OH 2.83Å |
| 183 | Y | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -80.4 | 134.6 | 174 | 178.6 | -98.2 | 0 | 0 | 0 | 111.6 | K9 S10 A14 N17 G152 M154 P185 Y189 D211 Y212 | K9-Y183 WeakPolarHBondContact CA-OH 3.35Å; S10-Y183 PolarHBondContact N-OH 3.45Å; A14-Y183 HydrophobicContact CB-CE1 4.2Å; A14-Y183 WeakPolarHBondContact O-CE1 3.38Å; N17-Y183 PolarHBondContact ND2-N 3.42Å; N17-Y183 PolarHBondContact ND2-O 3.31Å; G152-Y183 PolarHBondContact O-N 3.48Å; M154-Y183 HydrophobicContact CE-CD2 4.12Å; M154-Y183 HydrophobicContact SD-CD2 4.19Å; Y183-P185 HydrophobicContact CE1-CG 4.23Å; Y183-Y189 WeakPolarHBondContact CA-OH 3.33Å; Y183-Y189 HydrophobicContact CD2-CE2 4.18Å; Y183-Y189 HydrophobicContact CE2-CE2 4.48Å; Y183-D211 HydrophobicContact CD2-CB 3.88Å; Y183-D211 HydrophobicContact CE2-CB 3.4Å; Y183-D211 VanDerWaalsContact CE2-CB 3.4Å; Y183-Y212 VanDerWaalsContact CB-CZ 3.42Å; Y183-Y212 VanDerWaalsContact CB-OH 3.31Å; Y183-Y212 WeakPolarHBondContact CB-OH 2.94Å; Y183-Y212 HydrophobicContact CD1-CE1 4.45Å; Y183-Y212 AromaticContact CD1-CE2 3.89Å; Y183-Y212 HydrophobicContact CD1-CE2 3.89Å; Y183-Y212 AromaticContact CD1-CZ 3.63Å; Y183-Y212 VanDerWaalsContact CD1-OH 3.3Å; Y183-Y212 WeakPolarHBondContact CD1-OH 3.41Å; Y183-Y212 HydrophobicContact CE1-CE2 4.45Å; Y183-Y212 AromaticContact CG-CE1 3.98Å; Y183-Y212 HydrophobicContact CG-CE1 3.98Å; Y183-Y212 HydrophobicContact CG-CE2 4.07Å; Y183-Y212 AromaticContact CG-CZ 3.61Å | ||
| 184 | H | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | trans | -137 | 132.6 | 173.1 | -65.3 | -78.9 | 0 | 0 | 0 | 107.7 | W25 A186 Q187 Y189 | W25-H184 AromaticContact CD2-CE1 3.57Å; W25-H184 AromaticContact CD2-NE2 3.93Å; W25-H184 AromaticContact CE3-CE1 3.83Å; W25-H184 AromaticContact CE3-NE2 3.82Å; W25-H184 AromaticContact CG-CE1 3.7Å; H184-A186 PolarHBondContact O-N 3.49Å; H184-Q187 HydrophobicContact CB-CB 4.01Å; H184-Q187 PolarHBondContact CD2-OE1 3.2Å; H184-Q187 VanDerWaalsContact O-CB 3.32Å; H184-Q187 WeakPolarHBondContact O-CB 3.3Å; H184-Q187 PolarHBondContact O-N 3.23Å; H184-Y189 PolarHBondContact N-OH 2.9Å | ||
| 185 | P | 97.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 25% | 0.253 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 140.2 | 178.1 | -25.6 | 34.2 | 0 | 0 | 0 | 112 | K9 A14 D15 Y183 Q187 | K9-P185 HydrophobicContact CD-CB 4.45Å; K9-P185 HydrophobicContact CG-CB 4.41Å; A14-P185 VanDerWaalsContact O-CD 3.28Å; A14-P185 WeakPolarHBondContact O-CD 3.4Å; A14-P185 WeakPolarHBondContact O-CG 3.38Å; D15-P185 WeakPolarHBondContact OD1-CG 3.08Å; Y183-P185 HydrophobicContact CE1-CG 4.23Å; P185-Q187 PolarHBondContact O-N 2.64Å |
| 186 | A | 94.9 | Very high | 97.6 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 59% | 0.587 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 8.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | H184 | H184-A186 PolarHBondContact O-N 3.49Š|
| 187 | Q | 97.2 | Very high | 97.7 | Very high | 74 Ų | 74 | 45.7 Ų | 45.7 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | trans | -75.2 | 133.5 | 172.5 | -179.1 | 170.4 | -32.8 | 0 | 0 | 110.6 | H184 P185 Y189 | H184-Q187 HydrophobicContact CB-CB 4.01Å; H184-Q187 PolarHBondContact CD2-OE1 3.2Å; H184-Q187 VanDerWaalsContact O-CB 3.32Å; H184-Q187 WeakPolarHBondContact O-CB 3.3Å; H184-Q187 PolarHBondContact O-N 3.23Å; P185-Q187 PolarHBondContact O-N 2.64Å; Q187-Y189 HydrophobicContact CB-CE2 3.92Å; Q187-Y189 HydrophobicContact CG-CE1 4.03Å; Q187-Y189 HydrophobicContact CG-CE2 4.1Å; Q187-Y189 VanDerWaalsContact NE2-CE1 3.27Å; Q187-Y189 VanDerWaalsContact O-CD2 3.29Å; Q187-Y189 WeakPolarHBondContact O-CD2 3.24Å; Q187-Y189 VanDerWaalsContact O-CE2 3.29Å; Q187-Y189 WeakPolarHBondContact O-CE2 3.11Å | ||
| 188 | E | 97.9 | Very high | 97.7 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 60% | 0.598 | 23% | 0.229 | S | C | * | . | trans | -82.8 | 129.7 | 169.8 | -69 | 177.5 | 166 | 0 | 0 | 110.5 | Q208 M209 | E188-Q208 HydrophobicContact CB-CB 3.91Å; E188-Q208 HydrophobicContact CG-CB 4.11Å; E188-M209 HydrophobicContact CG-CG 3.99Å | ||
| 189 | Y | 98.2 | Very high | 97.8 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | trans | -113 | 147.8 | -180 | -64.4 | -80.5 | 0 | 0 | 0 | 111.8 | M154 E181 F182 Y183 H184 Q187 V191 Q208 Y210 | M154-Y189 HydrophobicContact CE-CD1 4.08Å; M154-Y189 HydrophobicContact CE-CD2 4.14Å; M154-Y189 HydrophobicContact CE-CE1 3.76Å; M154-Y189 HydrophobicContact CE-CE2 3.84Å; M154-Y189 HydrophobicContact CE-CG 4.26Å; E181-Y189 HydrophobicContact CB-CE1 4.45Å; E181-Y189 HydrophobicContact CG-CD1 3.88Å; E181-Y189 HydrophobicContact CG-CE1 3.6Å; F182-Y189 WeakPolarHBondContact O-CE1 3.41Å; F182-Y189 PolarHBondContact O-OH 2.83Å; Y183-Y189 WeakPolarHBondContact CA-OH 3.33Å; Y183-Y189 HydrophobicContact CD2-CE2 4.18Å; Y183-Y189 HydrophobicContact CE2-CE2 4.48Å; H184-Y189 PolarHBondContact N-OH 2.9Å; Q187-Y189 HydrophobicContact CB-CE2 3.92Å; Q187-Y189 HydrophobicContact CG-CE1 4.03Å; Q187-Y189 HydrophobicContact CG-CE2 4.1Å; Q187-Y189 VanDerWaalsContact NE2-CE1 3.27Å; Q187-Y189 VanDerWaalsContact O-CD2 3.29Å; Q187-Y189 WeakPolarHBondContact O-CD2 3.24Å; Q187-Y189 VanDerWaalsContact O-CE2 3.29Å; Q187-Y189 WeakPolarHBondContact O-CE2 3.11Å; Y189-V191 PolarHBondContact O-N 2.63Å; Y189-Q208 PolarHBondContact N-O 3.04Å; Y189-Y210 VanDerWaalsContact CB-OH 3.31Å; Y189-Y210 WeakPolarHBondContact CB-OH 3.31Å; Y189-Y210 HydrophobicContact CG-CE2 4.31Å | ||
| 190 | N | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 45 Ų | 45 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | trans | -63 | 126.9 | 175.1 | -170.4 | -28.3 | 0 | 0 | 0 | 111.2 | R192 Y210 | N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 3.16Å; N190-R192 VanDerWaalsContact OD1-CB 3.25Å; N190-R192 WeakPolarHBondContact OD1-CB 3.47Å; N190-R192 WeakPolarHBondContact OD1-CG 3.44Å; N190-R192 PolarHBondContact OD1-N 3.49Å; N190-Y210 PolarHBondContact O-OH 3.15Å | ||
| 191 | V | 97.9 | Very high | 97.8 | Very high | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -80.2 | -10.4 | 179.7 | -62.2 | 0 | 0 | 0 | 0 | 114.5 | Y189 V193 L203 D206 Q208 Y210 | Y189-V191 PolarHBondContact O-N 2.63Å; V191-V193 PolarHBondContact O-N 3.37Å; V191-L203 HydrophobicContact CB-CB 4.34Å; V191-L203 HydrophobicContact CB-CD2 4.1Å; V191-L203 HydrophobicContact CG1-CD2 4.23Å; V191-D206 WeakPolarHBondContact CG2-OD1 3.47Å; V191-Q208 HydrophobicContact CG1-CG 4.05Å; V191-Y210 HydrophobicContact CG1-CE1 4.24Å |
| 192 | R | 97.1 | Very high | 97.8 | Very high | 221 Ų | 221 | 44.4 Ų | 44.4 | 83% | 0.834 | 22% | 0.219 | S | C | * | . | trans | -81.4 | 47.7 | 179.7 | -56 | -177.7 | -178.1 | 177.4 | 1.3 | 112 | N190 | N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 3.16Å; N190-R192 VanDerWaalsContact OD1-CB 3.25Å; N190-R192 WeakPolarHBondContact OD1-CB 3.47Å; N190-R192 WeakPolarHBondContact OD1-CG 3.44Å; N190-R192 PolarHBondContact OD1-N 3.49Å | ||
| 193 | V | 97.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | trans | -117.4 | 173.4 | 175.8 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | R156 V191 K199 L203 L214 | R156-V193 HydrophobicContact CB-CB 4.25Å; R156-V193 HydrophobicContact CB-CG2 4.17Å; V191-V193 PolarHBondContact O-N 3.37Å; V193-K199 PolarHBondContact O-NZ 2.96Å; V193-L203 HydrophobicContact CG2-CD1 3.81Å; V193-L203 HydrophobicContact CG2-CD2 4.05Å; V193-L214 HydrophobicContact CG2-CD2 4.26Å | ||
| 194 | A | 96 | Very high | 97.8 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 59.6 | 152.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R156 D157 K199 L203 | R156-A194 WeakPolarHBondContact O-CA 3.29Å; R156-A194 WeakPolarHBondContact O-CB 3.47Å; R156-A194 PolarHBondContact O-N 3.26Å; D157-A194 WeakPolarHBondContact OD1-CA 3.47Å; A194-K199 HydrophobicContact CB-CG 4.14Å; A194-L203 HydrophobicContact CB-CD1 4.22Å |
| 195 | S | 96.1 | Very high | 97.8 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 30% | 0.301 | 22% | 0.22 | S | C | . | . | trans | -69 | 143.3 | 164.9 | -75.8 | 0 | 0 | 0 | 0 | 111.5 | D157 K159 Y197 F198 K199 | D157-S195 PolarHBondContact OD1-N 3.26Å; D157-S195 VanDerWaalsContact OD1-N 3.12Å; K159-S195 WeakPolarHBondContact CD-OG 3.35Å; K159-S195 PolarHBondContact NZ-OG 2.81Å; S195-Y197 VanDerWaalsContact C-N 3.33Å; S195-Y197 PolarHBondContact O-N 2.95Å; S195-Y197 VanDerWaalsContact O-N 3.11Å; S195-F198 PolarHBondContact O-N 2.85Å; S195-K199 PolarHBondContact O-N 3.15Å | ||
| 196 | R | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -43.3 | -51.9 | -170.4 | -174.6 | -169.9 | -60.8 | 139.2 | -5 | 114.3 | F198 K199 G236 Q237 Q242 | R196-F198 PolarHBondContact O-N 3.48Å; R196-F198 VanDerWaalsContact O-N 3.15Å; R196-K199 WeakPolarHBondContact O-CB 3.43Å; R196-K199 PolarHBondContact O-N 3.2Å; R196-G236 WeakPolarHBondContact CD-O 3.3Å; R196-G236 PolarHBondContact NH1-O 3.43Å; R196-Q237 PolarHBondContact NH1-O 2.88Å; R196-Q237 VanDerWaalsContact NH1-O 3.15Å; R196-Q237 PolarHBondContact NH2-O 3.47Å; R196-Q242 HydrophobicContact CG-CB 4.23Å; R196-Q242 HydrophobicContact CG-CG 4.28Å |
| 197 | Y | 98.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -68.3 | -13.5 | -173.3 | -51 | -41.4 | 0 | 0 | 0 | 114.5 | S195 P232 F234 H235 G236 | S195-Y197 VanDerWaalsContact C-N 3.33Å; S195-Y197 PolarHBondContact O-N 2.95Å; S195-Y197 VanDerWaalsContact O-N 3.11Å; Y197-P232 HydrophobicContact CD1-CB 4.24Å; Y197-P232 HydrophobicContact CD1-CG 3.91Å; Y197-P232 HydrophobicContact CD2-CB 3.59Å; Y197-P232 HydrophobicContact CD2-CG 3.51Å; Y197-P232 HydrophobicContact CE1-CG 4.11Å; Y197-P232 HydrophobicContact CE2-CB 4.29Å; Y197-P232 HydrophobicContact CE2-CG 3.7Å; Y197-P232 HydrophobicContact CG-CB 3.56Å; Y197-P232 HydrophobicContact CG-CG 3.63Å; Y197-F234 WeakPolarHBondContact CD1-O 3.29Å; Y197-H235 AromaticContact CE1-CD2 3.58Å; Y197-H235 AromaticContact CZ-CD2 3.6Å; Y197-H235 AromaticContact CZ-NE2 3.81Å; Y197-H235 PolarHBondContact OH-CD2 3.41Å; Y197-H235 PolarHBondContact OH-NE2 3.26Å; Y197-G236 WeakPolarHBondContact CE1-O 3.2Å |
| 198 | F | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -113.9 | 4.6 | -177.3 | -56.3 | -83.3 | 0 | 0 | 0 | 112.3 | K159 P160 S195 R196 G200 S218 C221 M222 | K159-F198 HydrophobicContact CB-CD1 4.28Å; K159-F198 HydrophobicContact CB-CD2 3.63Å; K159-F198 HydrophobicContact CB-CE1 4.32Å; K159-F198 HydrophobicContact CB-CE2 3.68Å; K159-F198 HydrophobicContact CB-CG 3.96Å; K159-F198 HydrophobicContact CB-CZ 4.04Å; P160-F198 HydrophobicContact CG-CE1 4.44Å; P160-F198 HydrophobicContact CG-CZ 4.04Å; S195-F198 PolarHBondContact O-N 2.85Å; R196-F198 PolarHBondContact O-N 3.48Å; R196-F198 VanDerWaalsContact O-N 3.15Å; F198-G200 PolarHBondContact O-N 3.39Å; F198-S218 PolarHBondContact O-OG 2.9Å; F198-C221 HydrophobicContact CD1-CB 3.82Å; F198-C221 HydrophobicContact CE1-CB 4.25Å; F198-M222 HydrophobicContact CD1-CG 4.11Å; F198-M222 HydrophobicContact CE1-CG 3.64Å |
| 199 | K | 98.9 | Very high | 98 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | trans | -67.3 | 125.6 | 176.5 | -73 | 178.2 | 173.2 | -72.7 | 0 | 110.3 | V193 A194 S195 R196 L203 L204 W217 | V193-K199 PolarHBondContact O-NZ 2.96Å; A194-K199 HydrophobicContact CB-CG 4.14Å; S195-K199 PolarHBondContact O-N 3.15Å; R196-K199 WeakPolarHBondContact O-CB 3.43Å; R196-K199 PolarHBondContact O-N 3.2Å; K199-L203 HydrophobicContact CB-CB 4.38Å; K199-L203 HydrophobicContact CB-CD1 4.16Å; K199-L203 HydrophobicContact CG-CD1 4.06Å; K199-L204 HydrophobicContact CB-CD2 3.89Å; K199-L204 HydrophobicContact CB-CG 4.17Å; K199-L204 HydrophobicContact CD-CD2 3.7Å; K199-L204 HydrophobicContact CG-CD2 4.46Å; K199-W217 PolarHBondContact O-NE1 3.33Å | ||
| 200 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -62.4 | 150.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F198 E202 L203 | F198-G200 PolarHBondContact O-N 3.39Å; G200-E202 VanDerWaalsContact C-OE2 3.32Å; G200-E202 WeakPolarHBondContact CA-OE2 3.44Å; G200-E202 PolarHBondContact O-N 3.02Å; G200-L203 WeakPolarHBondContact O-CB 3.42Å; G200-L203 PolarHBondContact O-N 3.11Å | ||
| 201 | P | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -49.6 | -38.9 | 175.8 | -30.4 | 36.9 | 0 | 0 | 0 | 113.5 | L203 L204 V205 W217 Y308 | P201-L203 PolarHBondContact O-N 2.8Å; P201-L204 CarbonylContact O-C 3.28Å; P201-L204 WeakPolarHBondContact O-CA 3.49Å; P201-L204 WeakPolarHBondContact O-CB 3.4Å; P201-L204 PolarHBondContact O-N 2.77Å; P201-V205 WeakPolarHBondContact O-CG2 3.44Å; P201-V205 PolarHBondContact O-N 3.17Å; P201-W217 HydrophobicContact CG-CD2 4.46Å; P201-W217 HydrophobicContact CG-CE3 4.17Å; P201-W217 HydrophobicContact CG-CH2 3.7Å; P201-W217 HydrophobicContact CG-CZ2 4.02Å; P201-W217 HydrophobicContact CG-CZ3 3.78Å; P201-Y308 HydrophobicContact CB-CD1 3.82Å; P201-Y308 HydrophobicContact CB-CE1 4.48Å; P201-Y308 HydrophobicContact CG-CD1 3.67Å; P201-Y308 HydrophobicContact CG-CE1 4.24Å |
| 202 | E | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.4 | -37.7 | 175.6 | 58.9 | -88.7 | -146.6 | 0 | 0 | 112.6 | G200 D206 Y207 Y210 L214 R313 | G200-E202 VanDerWaalsContact C-OE2 3.32Å; G200-E202 WeakPolarHBondContact CA-OE2 3.44Å; G200-E202 PolarHBondContact O-N 3.02Å; E202-D206 PolarHBondContact O-N 3.01Å; E202-Y207 HydrophobicContact CB-CD1 4.29Å; E202-Y207 PolarHBondContact O-N 3.34Å; E202-Y210 HydrophobicContact CG-CG 4.41Å; E202-L214 HydrophobicContact CG-CD1 4.38Å; E202-L214 WeakPolarHBondContact OE1-CA 3.39Å; E202-L214 WeakPolarHBondContact OE1-CD1 3.32Å; E202-R313 IonicContact OE1-CZ 3.67Å; E202-R313 IonicContact OE1-NH1 3.26Å; E202-R313 PolarHBondContact OE1-NH1 3.02Å; E202-R313 IonicContact OE1-NH2 3.62Å; E202-R313 IonicContact OE2-CZ 3.95Å; E202-R313 IonicContact OE2-NH1 2.86Å; E202-R313 PolarHBondContact OE2-NH1 3.3Å; E202-R313 IonicContact OE2-NH2 3.68Å; E202-R313 PolarHBondContact OE2-NH2 2.87Å |
| 203 | L | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -75.8 | -27 | 177.8 | -52.7 | -174 | 0 | 0 | 0 | 112.7 | V191 V193 A194 K199 G200 P201 Y210 L214 | V191-L203 HydrophobicContact CB-CB 4.34Å; V191-L203 HydrophobicContact CB-CD2 4.1Å; V191-L203 HydrophobicContact CG1-CD2 4.23Å; V193-L203 HydrophobicContact CG2-CD1 3.81Å; V193-L203 HydrophobicContact CG2-CD2 4.05Å; A194-L203 HydrophobicContact CB-CD1 4.22Å; K199-L203 HydrophobicContact CB-CB 4.38Å; K199-L203 HydrophobicContact CB-CD1 4.16Å; K199-L203 HydrophobicContact CG-CD1 4.06Å; G200-L203 WeakPolarHBondContact O-CB 3.42Å; G200-L203 PolarHBondContact O-N 3.11Å; P201-L203 PolarHBondContact O-N 2.8Å; L203-Y210 HydrophobicContact CD2-CD1 3.91Å; L203-Y210 HydrophobicContact CD2-CE1 3.6Å; L203-L214 HydrophobicContact CD1-CD1 3.74Å; L203-L214 HydrophobicContact CD1-CD2 4.12Å; L203-L214 HydrophobicContact CD2-CD1 4.28Å; L203-L214 HydrophobicContact CD2-CD2 4.11Å; L203-L214 HydrophobicContact CG-CD1 3.84Å; L203-L214 HydrophobicContact CG-CD2 4.44Å |
| 204 | L | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -86.2 | -24.3 | -176.4 | -57.7 | 176 | 0 | 0 | 0 | 112.1 | K199 P201 N239 Q242 L243 I246 | K199-L204 HydrophobicContact CB-CD2 3.89Å; K199-L204 HydrophobicContact CB-CG 4.17Å; K199-L204 HydrophobicContact CD-CD2 3.7Å; K199-L204 HydrophobicContact CG-CD2 4.46Å; P201-L204 CarbonylContact O-C 3.28Å; P201-L204 WeakPolarHBondContact O-CA 3.49Å; P201-L204 WeakPolarHBondContact O-CB 3.4Å; P201-L204 PolarHBondContact O-N 2.77Å; L204-N239 HydrophobicContact CD2-CB 4.09Å; L204-Q242 HydrophobicContact CD1-CB 4.15Å; L204-Q242 HydrophobicContact CD1-CG 3.78Å; L204-Q242 HydrophobicContact CD2-CB 4.26Å; L204-Q242 HydrophobicContact CD2-CG 4.28Å; L204-L243 HydrophobicContact CB-CB 4.25Å; L204-L243 HydrophobicContact CB-CD1 4.34Å; L204-L243 HydrophobicContact CD1-CB 4.1Å; L204-L243 HydrophobicContact CD1-CD1 4.25Å; L204-I246 HydrophobicContact CD1-CD1 3.62Å |
| 205 | V | 97.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 6% | 0.055 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | P201 Y207 L243 Y258 L259 I264 L266 | P201-V205 WeakPolarHBondContact O-CG2 3.44Å; P201-V205 PolarHBondContact O-N 3.17Å; V205-Y207 VanDerWaalsContact C-N 3.33Å; V205-Y207 PolarHBondContact O-N 3.35Å; V205-L243 HydrophobicContact CG1-CD1 4.38Å; V205-L243 HydrophobicContact CG1-CD2 3.64Å; V205-Y258 HydrophobicContact CG2-CE1 3.99Å; V205-L259 HydrophobicContact CB-CD2 4.05Å; V205-L259 HydrophobicContact CG1-CD2 4.07Å; V205-L259 HydrophobicContact CG2-CD2 4.09Å; V205-I264 HydrophobicContact CB-CG2 4.11Å; V205-I264 HydrophobicContact CG2-CD1 4.02Å; V205-I264 HydrophobicContact CG2-CG2 3.95Å; V205-I264 WeakPolarHBondContact O-CG2 3.31Å; V205-L266 HydrophobicContact CB-CD1 4.21Å; V205-L266 HydrophobicContact CG1-CD1 3.76Å |
| 206 | D | 97.4 | Very high | 98.5 | Very high | 99 Ų | 99 | 22.1 Ų | 22.1 | 53% | 0.529 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 34.4 | 177.6 | -154.6 | 16.7 | 0 | 0 | 0 | 115 | V191 E202 Q208 | V191-D206 WeakPolarHBondContact CG2-OD1 3.47Å; E202-D206 PolarHBondContact O-N 3.01Å; D206-Q208 PolarHBondContact O-N 3.24Å |
| 207 | Y | 97.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 17.9 Ų | 17.9 | 8% | 0.075 | 9% | 0.086 | C | C | . | . | trans | -83.2 | 113.6 | 171.9 | -173 | -107.9 | 0 | 0 | 0 | 110.6 | S8 E202 V205 M209 Y210 Y262 I264 H310 | S8-Y207 WeakPolarHBondContact CB-OH 3.43Å; E202-Y207 HydrophobicContact CB-CD1 4.29Å; E202-Y207 PolarHBondContact O-N 3.34Å; V205-Y207 VanDerWaalsContact C-N 3.33Å; V205-Y207 PolarHBondContact O-N 3.35Å; Y207-M209 HydrophobicContact CE1-CB 4.07Å; Y207-M209 VanDerWaalsContact CE1-O 3.23Å; Y207-M209 WeakPolarHBondContact CE1-O 3.37Å; Y207-M209 HydrophobicContact CE2-CE 4.41Å; Y207-Y210 WeakPolarHBondContact O-CD1 3.19Å; Y207-Y262 HydrophobicContact CE2-CD1 4.35Å; Y207-Y262 HydrophobicContact CE2-CG 4.43Å; Y207-Y262 AromaticContact CZ-CD1 3.9Å; Y207-I264 HydrophobicContact CD2-CD1 3.71Å; Y207-I264 HydrophobicContact CD2-CG1 3.7Å; Y207-I264 HydrophobicContact CE2-CD1 4.48Å; Y207-I264 HydrophobicContact CE2-CG1 4.39Å; Y207-I264 HydrophobicContact CG-CD1 3.89Å; Y207-I264 HydrophobicContact CG-CG1 4.35Å; Y207-H310 AromaticContact CD1-CE1 3.96Å; Y207-H310 AromaticContact CE1-CE1 3.48Å; Y207-H310 VanDerWaalsContact CE1-CE1 3.48Å; Y207-H310 WeakPolarHBondContact CE1-CE1 3.43Å; Y207-H310 AromaticContact CE1-NE2 3.84Å | ||
| 208 | Q | 98.1 | Very high | 98.6 | Very high | 69 Ų | 69 | 14.9 Ų | 14.9 | 32% | 0.322 | 8% | 0.075 | S | C | . | . | trans | -92.6 | -21.6 | -167.7 | -61.7 | -173.8 | -18.3 | 0 | 0 | 114.6 | E188 Y189 V191 D206 Y210 | E188-Q208 HydrophobicContact CB-CB 3.91Å; E188-Q208 HydrophobicContact CG-CB 4.11Å; Y189-Q208 PolarHBondContact N-O 3.04Å; V191-Q208 HydrophobicContact CG1-CG 4.05Å; D206-Q208 PolarHBondContact O-N 3.24Å; Q208-Y210 PolarHBondContact O-N 3.03Å | ||
| 209 | M | 97.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 14.4 Ų | 14.4 | 22% | 0.217 | 7% | 0.073 | C | C | . | . | trans | -85.8 | 53.2 | 178.4 | -69.7 | -176.4 | -80.2 | 0 | 0 | 111.6 | E188 Y207 | E188-M209 HydrophobicContact CG-CG 3.99Å; Y207-M209 HydrophobicContact CE1-CB 4.07Å; Y207-M209 VanDerWaalsContact CE1-O 3.23Å; Y207-M209 WeakPolarHBondContact CE1-O 3.37Å; Y207-M209 HydrophobicContact CE2-CE 4.41Å | ||
| 210 | Y | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | trans | -90.6 | 168.9 | 176.5 | 64.3 | -101.1 | 0 | 0 | 0 | 112.2 | M154 R156 Y189 N190 V191 E202 L203 Y207 Q208 L214 | M154-Y210 HydrophobicContact CE-CE2 4.48Å; M154-Y210 HydrophobicContact SD-CD2 4.19Å; M154-Y210 HydrophobicContact SD-CE2 4.26Å; R156-Y210 PolarHBondContact NH1-OH 2.99Å; Y189-Y210 VanDerWaalsContact CB-OH 3.31Å; Y189-Y210 WeakPolarHBondContact CB-OH 3.31Å; Y189-Y210 HydrophobicContact CG-CE2 4.31Å; N190-Y210 PolarHBondContact O-OH 3.15Å; V191-Y210 HydrophobicContact CG1-CE1 4.24Å; E202-Y210 HydrophobicContact CG-CG 4.41Å; L203-Y210 HydrophobicContact CD2-CD1 3.91Å; L203-Y210 HydrophobicContact CD2-CE1 3.6Å; Y207-Y210 WeakPolarHBondContact O-CD1 3.19Å; Q208-Y210 PolarHBondContact O-N 3.03Å; Y210-L214 HydrophobicContact CD2-CB 4.33Å; Y210-L214 HydrophobicContact CD2-CD2 3.91Å; Y210-L214 HydrophobicContact CE2-CD2 3.68Å | ||
| 211 | D | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | trans | -140.4 | -165.3 | -175.4 | 65 | 54.6 | 0 | 0 | 0 | 112.5 | S10 M154 Y183 S213 L214 H310 Q311 | S10-D211 WeakPolarHBondContact CA-OD2 3.47Å; M154-D211 VanDerWaalsContact SD-CA 3.55Å; Y183-D211 HydrophobicContact CD2-CB 3.88Å; Y183-D211 HydrophobicContact CE2-CB 3.4Å; Y183-D211 VanDerWaalsContact CE2-CB 3.4Å; D211-S213 PolarHBondContact O-N 3.22Å; D211-S213 VanDerWaalsContact OD1-CB 3.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.12Å; D211-S213 PolarHBondContact OD1-N 3.26Å; D211-S213 PolarHBondContact OD1-OG 3.5Å; D211-L214 WeakPolarHBondContact O-CB 3.36Å; D211-L214 PolarHBondContact O-N 3.29Å; D211-H310 IonicContact OD2-CD2 2.63Å; D211-Q311 PolarHBondContact OD2-NE2 2.87Å; D211-Q311 VanDerWaalsContact OD2-NE2 3.11Å | ||
| 212 | Y | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -28.6 | 179.5 | -45 | -65.6 | 0 | 0 | 0 | 114.5 | S10 V12 Y13 H149 G152 M154 Y183 L214 D215 | S10-Y212 WeakPolarHBondContact OG-CD2 3.49Å; V12-Y212 WeakPolarHBondContact O-CE2 3.34Å; Y13-Y212 PolarHBondContact O-OH 2.99Å; H149-Y212 HydrophobicContact CB-CD1 4.06Å; H149-Y212 HydrophobicContact CB-CG 4.09Å; H149-Y212 AromaticContact CD2-CD1 3.81Å; H149-Y212 PolarHBondContact CE1-O 2.86Å; H149-Y212 AromaticContact CG-CD1 3.98Å; H149-Y212 AromaticContact CG-CG 3.95Å; G152-Y212 WeakPolarHBondContact CA-OH 3.25Å; M154-Y212 HydrophobicContact CB-CD1 4.48Å; M154-Y212 HydrophobicContact CG-CD1 3.46Å; M154-Y212 VanDerWaalsContact CG-CD1 3.46Å; M154-Y212 HydrophobicContact CG-CE1 3.99Å; M154-Y212 HydrophobicContact CG-CG 4.27Å; Y183-Y212 VanDerWaalsContact CB-CZ 3.42Å; Y183-Y212 VanDerWaalsContact CB-OH 3.31Å; Y183-Y212 WeakPolarHBondContact CB-OH 2.94Å; Y183-Y212 HydrophobicContact CD1-CE1 4.45Å; Y183-Y212 AromaticContact CD1-CE2 3.89Å; Y183-Y212 HydrophobicContact CD1-CE2 3.89Å; Y183-Y212 AromaticContact CD1-CZ 3.63Å; Y183-Y212 VanDerWaalsContact CD1-OH 3.3Å; Y183-Y212 WeakPolarHBondContact CD1-OH 3.41Å; Y183-Y212 HydrophobicContact CE1-CE2 4.45Å; Y183-Y212 AromaticContact CG-CE1 3.98Å; Y183-Y212 HydrophobicContact CG-CE1 3.98Å; Y183-Y212 HydrophobicContact CG-CE2 4.07Å; Y183-Y212 AromaticContact CG-CZ 3.61Å; Y212-L214 PolarHBondContact O-N 3.44Å; Y212-L214 VanDerWaalsContact O-N 3.07Å; Y212-D215 WeakPolarHBondContact O-CB 3.46Å; Y212-D215 PolarHBondContact O-N 3.35Å |
| 213 | S | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 14 Ų | 14 | 8% | 0.077 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60 | -15 | 176.6 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | D211 D215 M216 W217 H310 R313 | D211-S213 PolarHBondContact O-N 3.22Å; D211-S213 VanDerWaalsContact OD1-CB 3.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.12Å; D211-S213 PolarHBondContact OD1-N 3.26Å; D211-S213 PolarHBondContact OD1-OG 3.5Å; S213-D215 VanDerWaalsContact C-N 3.35Å; S213-M216 PolarHBondContact O-N 3.27Å; S213-W217 PolarHBondContact O-N 3.37Å; S213-H310 WeakPolarHBondContact CB-O 3.46Å; S213-H310 WeakPolarHBondContact OG-CB 3.31Å; S213-H310 PolarHBondContact OG-O 2.88Å; S213-R313 WeakPolarHBondContact O-CD 3.47Å; S213-R313 PolarHBondContact O-NH1 2.92Å |
| 214 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 168.9 | 174.6 | 61.9 | 0 | 0 | 0 | 111.6 | R156 V193 E202 L203 Y210 D211 Y212 M216 W217 S218 | R156-L214 HydrophobicContact CB-CD2 4.26Å; R156-L214 HydrophobicContact CG-CD2 4.16Å; V193-L214 HydrophobicContact CG2-CD2 4.26Å; E202-L214 HydrophobicContact CG-CD1 4.38Å; E202-L214 WeakPolarHBondContact OE1-CA 3.39Å; E202-L214 WeakPolarHBondContact OE1-CD1 3.32Å; L203-L214 HydrophobicContact CD1-CD1 3.74Å; L203-L214 HydrophobicContact CD1-CD2 4.12Å; L203-L214 HydrophobicContact CD2-CD1 4.28Å; L203-L214 HydrophobicContact CD2-CD2 4.11Å; L203-L214 HydrophobicContact CG-CD1 3.84Å; L203-L214 HydrophobicContact CG-CD2 4.44Å; Y210-L214 HydrophobicContact CD2-CB 4.33Å; Y210-L214 HydrophobicContact CD2-CD2 3.91Å; Y210-L214 HydrophobicContact CE2-CD2 3.68Å; D211-L214 WeakPolarHBondContact O-CB 3.36Å; D211-L214 PolarHBondContact O-N 3.29Å; Y212-L214 PolarHBondContact O-N 3.44Å; Y212-L214 VanDerWaalsContact O-N 3.07Å; L214-M216 PolarHBondContact O-N 3.13Å; L214-W217 WeakPolarHBondContact O-CB 3.24Å; L214-W217 PolarHBondContact O-N 3.26Å; L214-S218 PolarHBondContact O-N 2.77Å; L214-S218 PolarHBondContact O-OG 3.07Å |
| 215 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.3 | -32.7 | 179.7 | -67.2 | -32.4 | 0 | 0 | 0 | 110.9 | L145 H149 H155 R156 V158 Y212 S213 S218 L219 | L145-D215 HydrophobicContact CD1-CB 4.5Å; L145-D215 HydrophobicContact CD2-CB 4.03Å; H149-D215 IonicContact CD2-OD2 2.99Å; H149-D215 IonicContact CE1-OD2 3.83Å; H149-D215 IonicContact NE2-OD2 3.48Å; H149-D215 PolarHBondContact NE2-OD2 3.02Å; H155-D215 PolarHBondContact N-OD2 3.17Å; R156-D215 WeakPolarHBondContact CA-OD1 3.43Å; R156-D215 PolarHBondContact N-OD1 3Å; V158-D215 HydrophobicContact CG2-CB 3.98Å; Y212-D215 WeakPolarHBondContact O-CB 3.46Å; Y212-D215 PolarHBondContact O-N 3.35Å; S213-D215 VanDerWaalsContact C-N 3.35Å; D215-S218 PolarHBondContact O-N 2.74Å; D215-L219 WeakPolarHBondContact O-CB 3.43Å; D215-L219 PolarHBondContact O-N 2.97Å |
| 216 | M | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.6 | -33 | 178.1 | -55.9 | -53.6 | -60.7 | 0 | 0 | 112.5 | L142 L145 S213 L214 L219 G220 L305 L314 A316 A319 | L142-M216 HydrophobicContact CD2-CE 3.72Å; L145-M216 HydrophobicContact CD1-SD 4.24Å; S213-M216 PolarHBondContact O-N 3.27Å; L214-M216 PolarHBondContact O-N 3.13Å; M216-L219 HydrophobicContact CE-CD2 3.81Å; M216-L219 WeakPolarHBondContact O-CB 3.2Å; M216-L219 HydrophobicContact SD-CD2 4.46Å; M216-G220 PolarHBondContact O-N 3.22Å; M216-L305 HydrophobicContact CB-CD2 4.28Å; M216-L305 HydrophobicContact CE-CD2 3.66Å; M216-L314 WeakPolarHBondContact CG-O 3.45Å; M216-A316 HydrophobicContact CE-CB 4.39Å; M216-A316 HydrophobicContact SD-CB 4.01Å; M216-A319 HydrophobicContact CE-CB 4.01Å |
| 217 | W | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.2 | -47.6 | 170 | 173.6 | -85.4 | 0 | 0 | 0 | 111.7 | K199 P201 S213 L214 L219 G220 C221 F234 I246 L250 L306 | K199-W217 PolarHBondContact O-NE1 3.33Å; P201-W217 HydrophobicContact CG-CD2 4.46Å; P201-W217 HydrophobicContact CG-CE3 4.17Å; P201-W217 HydrophobicContact CG-CH2 3.7Å; P201-W217 HydrophobicContact CG-CZ2 4.02Å; P201-W217 HydrophobicContact CG-CZ3 3.78Å; S213-W217 PolarHBondContact O-N 3.37Å; L214-W217 WeakPolarHBondContact O-CB 3.24Å; L214-W217 PolarHBondContact O-N 3.26Å; W217-L219 VanDerWaalsContact C-N 3.27Å; W217-L219 PolarHBondContact O-N 3.08Å; W217-G220 PolarHBondContact O-N 3.47Å; W217-G220 VanDerWaalsContact O-N 3.1Å; W217-C221 PolarHBondContact NE1-SG 3.28Å; W217-C221 PolarHBondContact O-N 2.91Å; W217-C221 PolarHBondContact O-SG 3.4Å; W217-F234 HydrophobicContact CH2-CE2 4.46Å; W217-F234 HydrophobicContact CZ2-CD2 4.45Å; W217-F234 HydrophobicContact CZ2-CE2 4.04Å; W217-I246 HydrophobicContact CH2-CD1 4.28Å; W217-I246 HydrophobicContact CH2-CG1 4.37Å; W217-I246 HydrophobicContact CH2-CG2 3.66Å; W217-I246 HydrophobicContact CZ2-CD1 3.6Å; W217-I246 HydrophobicContact CZ2-CG1 3.9Å; W217-I246 HydrophobicContact CZ2-CG2 4.07Å; W217-L250 HydrophobicContact CH2-CD1 3.68Å; W217-L250 HydrophobicContact CZ3-CD1 3.88Å; W217-L306 HydrophobicContact CD2-CD2 3.9Å; W217-L306 HydrophobicContact CE3-CD2 3.85Å; W217-L306 HydrophobicContact CH2-CD2 4.19Å; W217-L306 HydrophobicContact CZ2-CD2 4.22Å; W217-L306 HydrophobicContact CZ3-CB 4.22Å; W217-L306 HydrophobicContact CZ3-CD2 4.01Å |
| 218 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.2 | -40 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | V158 F198 L214 D215 C221 M222 | V158-S218 WeakPolarHBondContact O-CB 3.31Å; F198-S218 PolarHBondContact O-OG 2.9Å; L214-S218 PolarHBondContact O-N 2.77Å; L214-S218 PolarHBondContact O-OG 3.07Å; D215-S218 PolarHBondContact O-N 2.74Å; S218-C221 WeakPolarHBondContact O-CB 3.38Å; S218-C221 PolarHBondContact O-N 3.12Å; S218-M222 PolarHBondContact O-N 2.92Å; S218-M222 VanDerWaalsContact O-N 3.08Å |
| 219 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 171.5 | -175.6 | 74.2 | 0 | 0 | 0 | 111.9 | M138 L141 L142 L145 D215 M216 W217 C221 M222 L223 L305 | M138-L219 HydrophobicContact CE-CD1 3.38Å; M138-L219 HydrophobicContact CE-CD2 4.13Å; M138-L219 HydrophobicContact CE-CG 3.48Å; M138-L219 VanDerWaalsContact CE-CG 3.48Å; M138-L219 HydrophobicContact SD-CD1 3.93Å; L141-L219 HydrophobicContact CB-CD1 4.48Å; L141-L219 HydrophobicContact CD2-CD1 3.42Å; L141-L219 VanDerWaalsContact CD2-CD1 3.42Å; L141-L219 HydrophobicContact CG-CD1 3.87Å; L142-L219 HydrophobicContact CD2-CD2 3.37Å; L142-L219 HydrophobicContact CG-CD2 3.88Å; L145-L219 HydrophobicContact CD1-CB 4.42Å; L145-L219 HydrophobicContact CD1-CD1 4.28Å; L145-L219 HydrophobicContact CD1-CD2 4.25Å; D215-L219 WeakPolarHBondContact O-CB 3.43Å; D215-L219 PolarHBondContact O-N 2.97Å; M216-L219 HydrophobicContact CE-CD2 3.81Å; M216-L219 WeakPolarHBondContact O-CB 3.2Å; M216-L219 HydrophobicContact SD-CD2 4.46Å; W217-L219 VanDerWaalsContact C-N 3.27Å; W217-L219 PolarHBondContact O-N 3.08Å; L219-C221 VanDerWaalsContact C-N 3.31Å; L219-C221 PolarHBondContact O-N 3.32Å; L219-M222 WeakPolarHBondContact O-CB 3.4Å; L219-M222 PolarHBondContact O-N 3.44Å; L219-M222 VanDerWaalsContact O-N 3.13Å; L219-L223 PolarHBondContact O-N 3.2Å; L219-L305 HydrophobicContact CD2-CD1 4.46Å |
| 220 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | M216 W217 M222 L223 A224 L302 | M216-G220 PolarHBondContact O-N 3.22Å; W217-G220 PolarHBondContact O-N 3.47Å; W217-G220 VanDerWaalsContact O-N 3.1Å; G220-M222 VanDerWaalsContact C-N 3.33Å; G220-M222 PolarHBondContact O-N 2.94Å; G220-L223 PolarHBondContact O-N 3.09Å; G220-A224 WeakPolarHBondContact O-CB 3.41Å; G220-A224 PolarHBondContact O-N 3.12Å; G220-L302 WeakPolarHBondContact O-CD1 3.43Å |
| 221 | C | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.4 | -36.9 | 174.9 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | F198 W217 S218 L219 S225 | F198-C221 HydrophobicContact CD1-CB 3.82Å; F198-C221 HydrophobicContact CE1-CB 4.25Å; W217-C221 PolarHBondContact NE1-SG 3.28Å; W217-C221 PolarHBondContact O-N 2.91Å; W217-C221 PolarHBondContact O-SG 3.4Å; S218-C221 WeakPolarHBondContact O-CB 3.38Å; S218-C221 PolarHBondContact O-N 3.12Å; L219-C221 VanDerWaalsContact C-N 3.31Å; L219-C221 PolarHBondContact O-N 3.32Å; C221-S225 WeakPolarHBondContact O-CB 3.47Å; C221-S225 PolarHBondContact O-N 3.49Å; C221-S225 VanDerWaalsContact O-N 3.12Å; C221-S225 PolarHBondContact O-OG 3.24Å |
| 222 | M | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.2 | -47.3 | 172.6 | -70.3 | -178.9 | 58.8 | 0 | 0 | 111.5 | Y126 L141 V158 K159 P160 V163 F198 S218 L219 G220 A224 S225 M226 | Y126-M222 WeakPolarHBondContact OH-CE 3.41Å; L141-M222 HydrophobicContact CD2-CE 4.1Å; L141-M222 HydrophobicContact CD2-SD 4.25Å; V158-M222 HydrophobicContact CG1-SD 3.88Å; K159-M222 VanDerWaalsContact C-SD 3.56Å; K159-M222 VanDerWaalsContact CA-SD 3.58Å; P160-M222 HydrophobicContact CB-CE 4.48Å; P160-M222 HydrophobicContact CG-CE 4.16Å; P160-M222 HydrophobicContact CG-CG 4.19Å; V163-M222 HydrophobicContact CG2-CE 4.02Å; F198-M222 HydrophobicContact CD1-CG 4.11Å; F198-M222 HydrophobicContact CE1-CG 3.64Å; S218-M222 PolarHBondContact O-N 2.92Å; S218-M222 VanDerWaalsContact O-N 3.08Å; L219-M222 WeakPolarHBondContact O-CB 3.4Å; L219-M222 PolarHBondContact O-N 3.44Å; L219-M222 VanDerWaalsContact O-N 3.13Å; G220-M222 VanDerWaalsContact C-N 3.33Å; G220-M222 PolarHBondContact O-N 2.94Å; M222-A224 PolarHBondContact O-N 2.93Å; M222-S225 PolarHBondContact O-N 3.19Å; M222-M226 HydrophobicContact CB-CE 4.39Å; M222-M226 PolarHBondContact O-N 3.42Å |
| 223 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 177.4 | -178 | 60.7 | 0 | 0 | 0 | 111.4 | I134 M138 L219 G220 S225 M226 I227 L301 L302 L305 Y324 | I134-L223 HydrophobicContact CG2-CD1 4.01Å; M138-L223 HydrophobicContact CE-CB 3.7Å; M138-L223 HydrophobicContact CE-CD1 4.2Å; M138-L223 HydrophobicContact CE-CD2 4.48Å; M138-L223 HydrophobicContact CE-CG 4.34Å; M138-L223 HydrophobicContact CG-CD1 4.19Å; M138-L223 HydrophobicContact SD-CB 4.47Å; L219-L223 PolarHBondContact O-N 3.2Å; G220-L223 PolarHBondContact O-N 3.09Å; L223-S225 VanDerWaalsContact C-N 3.27Å; L223-S225 PolarHBondContact O-N 3.49Å; L223-M226 PolarHBondContact O-N 2.9Å; L223-M226 VanDerWaalsContact O-N 3.12Å; L223-I227 HydrophobicContact CD1-CG2 3.77Å; L223-I227 HydrophobicContact CG-CG2 4.39Å; L223-I227 WeakPolarHBondContact O-CG1 3.1Å; L223-I227 PolarHBondContact O-N 3.12Å; L223-L301 HydrophobicContact CD2-CD2 3.85Å; L223-L301 HydrophobicContact CD2-CG 4.02Å; L223-L302 HydrophobicContact CB-CD1 4.23Å; L223-L302 HydrophobicContact CD2-CB 4.16Å; L223-L302 HydrophobicContact CD2-CD1 4.2Å; L223-L302 HydrophobicContact CG-CD1 4.33Å; L223-L305 HydrophobicContact CD2-CD1 4.21Å; L223-Y324 HydrophobicContact CD1-CE1 4.27Å |
| 224 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.1 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G220 M222 M226 F228 F233 L302 L306 | G220-A224 WeakPolarHBondContact O-CB 3.41Å; G220-A224 PolarHBondContact O-N 3.12Å; M222-A224 PolarHBondContact O-N 2.93Å; A224-M226 VanDerWaalsContact C-N 3.33Å; A224-M226 PolarHBondContact O-N 3.32Å; A224-F228 HydrophobicContact CB-CD2 4.21Å; A224-F228 HydrophobicContact CB-CE2 4.44Å; A224-F228 VanDerWaalsContact O-CB 3.32Å; A224-F228 WeakPolarHBondContact O-CB 3.43Å; A224-F228 VanDerWaalsContact O-CD2 3.24Å; A224-F228 WeakPolarHBondContact O-CD2 3.28Å; A224-F228 PolarHBondContact O-N 3.37Å; A224-F228 VanDerWaalsContact O-N 3.12Å; A224-F233 HydrophobicContact CB-CB 3.92Å; A224-F233 HydrophobicContact CB-CD1 3.83Å; A224-F233 HydrophobicContact CB-CD2 3.82Å; A224-F233 HydrophobicContact CB-CE1 4.32Å; A224-F233 HydrophobicContact CB-CE2 4.33Å; A224-F233 HydrophobicContact CB-CG 3.56Å; A224-L302 HydrophobicContact CB-CD1 3.88Å; A224-L302 HydrophobicContact CB-CD2 3.9Å; A224-L306 HydrophobicContact CB-CD1 4.45Å |
| 225 | S | 97.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | C221 M222 L223 Q229 K230 F233 | C221-S225 WeakPolarHBondContact O-CB 3.47Å; C221-S225 PolarHBondContact O-N 3.49Å; C221-S225 VanDerWaalsContact O-N 3.12Å; C221-S225 PolarHBondContact O-OG 3.24Å; M222-S225 PolarHBondContact O-N 3.19Å; L223-S225 VanDerWaalsContact C-N 3.27Å; L223-S225 PolarHBondContact O-N 3.49Å; S225-Q229 CarbonylContact O-C 3.6Å; S225-Q229 VanDerWaalsContact O-CA 3.31Å; S225-Q229 WeakPolarHBondContact O-CA 3.49Å; S225-Q229 PolarHBondContact O-N 2.7Å; S225-K230 WeakPolarHBondContact CA-O 3.23Å; S225-K230 WeakPolarHBondContact CB-O 3.33Å; S225-K230 PolarHBondContact O-N 3.05Å; S225-K230 PolarHBondContact OG-O 3.12Å; S225-F233 PolarHBondContact OG-N 3.01Å |
| 226 | M | 97.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.059 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.1 | -56.9 | 177.2 | -73 | -174.2 | -76.5 | 0 | 0 | 112.2 | Y126 L129 I134 M138 M222 L223 A224 F228 Q229 | Y126-M226 HydrophobicContact CD2-CG 3.58Å; Y126-M226 HydrophobicContact CE1-CG 4.18Å; Y126-M226 HydrophobicContact CE1-SD 4.01Å; Y126-M226 HydrophobicContact CE2-CB 4.34Å; Y126-M226 HydrophobicContact CE2-CG 3.08Å; Y126-M226 HydrophobicContact CE2-SD 3.94Å; Y126-M226 HydrophobicContact CG-CG 4.3Å; Y126-M226 VanDerWaalsContact CZ-CG 3.4Å; Y126-M226 VanDerWaalsContact CZ-SD 3.58Å; L129-M226 HydrophobicContact CD1-SD 4.03Å; I134-M226 HydrophobicContact CD1-CB 3.98Å; I134-M226 HydrophobicContact CG1-CB 4.22Å; I134-M226 HydrophobicContact CG1-SD 4.3Å; I134-M226 HydrophobicContact CG2-CB 4.17Å; I134-M226 HydrophobicContact CG2-CE 4.17Å; I134-M226 HydrophobicContact CG2-SD 4.14Å; M138-M226 HydrophobicContact CG-CE 3.68Å; M138-M226 HydrophobicContact SD-CE 3.25Å; M138-M226 WeakPolarHBondContact SD-CE 3.34Å; M222-M226 HydrophobicContact CB-CE 4.39Å; M222-M226 PolarHBondContact O-N 3.42Å; L223-M226 PolarHBondContact O-N 2.9Å; L223-M226 VanDerWaalsContact O-N 3.12Å; A224-M226 VanDerWaalsContact C-N 3.33Å; A224-M226 PolarHBondContact O-N 3.32Å; M226-F228 VanDerWaalsContact C-N 3.32Å; M226-F228 PolarHBondContact O-N 3.48Å; M226-Q229 PolarHBondContact O-N 2.78Å; M226-Q229 VanDerWaalsContact O-N 3.16Å |
| 227 | I | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.4 | -29.5 | -171.8 | 70.6 | 178.7 | 0 | 0 | 0 | 112.5 | I134 L223 V294 A298 L299 L302 | I134-I227 HydrophobicContact CD1-CG2 4.47Å; I134-I227 HydrophobicContact CG2-CG2 4.25Å; L223-I227 HydrophobicContact CD1-CG2 3.77Å; L223-I227 HydrophobicContact CG-CG2 4.39Å; L223-I227 WeakPolarHBondContact O-CG1 3.1Å; L223-I227 PolarHBondContact O-N 3.12Å; I227-V294 HydrophobicContact CB-CG2 4.31Å; I227-V294 WeakPolarHBondContact O-CG2 3.21Å; I227-A298 HydrophobicContact CD1-CB 4.27Å; I227-L299 HydrophobicContact CD1-CD2 4.22Å; I227-L302 HydrophobicContact CD1-CD2 4.06Å |
| 228 | F | 97.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 1.3 | 176 | -59.1 | -53.6 | 0 | 0 | 0 | 113.4 | A224 M226 K230 F233 W282 F285 V286 N290 V294 L299 L302 | A224-F228 HydrophobicContact CB-CD2 4.21Å; A224-F228 HydrophobicContact CB-CE2 4.44Å; A224-F228 VanDerWaalsContact O-CB 3.32Å; A224-F228 WeakPolarHBondContact O-CB 3.43Å; A224-F228 VanDerWaalsContact O-CD2 3.24Å; A224-F228 WeakPolarHBondContact O-CD2 3.28Å; A224-F228 PolarHBondContact O-N 3.37Å; A224-F228 VanDerWaalsContact O-N 3.12Å; M226-F228 VanDerWaalsContact C-N 3.32Å; M226-F228 PolarHBondContact O-N 3.48Å; F228-K230 HydrophobicContact CB-CB 4.4Å; F228-K230 PolarHBondContact O-N 3.45Å; F228-F233 HydrophobicContact CB-CD2 4.47Å; F228-F233 HydrophobicContact CB-CE2 4.34Å; F228-F233 AromaticContact CD2-CD2 3.83Å; F228-F233 HydrophobicContact CD2-CD2 3.83Å; F228-F233 AromaticContact CD2-CE2 3.31Å; F228-F233 HydrophobicContact CD2-CE2 3.31Å; F228-F233 HydrophobicContact CD2-CZ 4.05Å; F228-F233 AromaticContact CE2-CE2 3.88Å; F228-F233 HydrophobicContact CE2-CE2 3.88Å; F228-F233 HydrophobicContact CE2-CZ 4.16Å; F228-F233 HydrophobicContact CG-CE2 4.12Å; F228-W282 AromaticContact CE2-CE3 3.97Å; F228-W282 HydrophobicContact CE2-CE3 3.97Å; F228-W282 HydrophobicContact CE2-CZ3 4.45Å; F228-W282 HydrophobicContact CZ-CB 4.31Å; F228-W282 HydrophobicContact CZ-CE3 4.18Å; F228-F285 HydrophobicContact CD1-CB 3.63Å; F228-F285 HydrophobicContact CD2-CB 4.16Å; F228-F285 HydrophobicContact CE1-CB 3.69Å; F228-F285 HydrophobicContact CE2-CB 4.19Å; F228-F285 HydrophobicContact CG-CB 3.88Å; F228-F285 HydrophobicContact CZ-CB 3.97Å; F228-V286 HydrophobicContact CE1-CG2 4.24Å; F228-N290 WeakPolarHBondContact CA-ND2 2.8Å; F228-N290 PolarHBondContact O-ND2 3.02Å; F228-V294 HydrophobicContact CD1-CG2 4.12Å; F228-V294 HydrophobicContact CE1-CG2 4.1Å; F228-L299 HydrophobicContact CE1-CD2 4.01Å; F228-L299 HydrophobicContact CZ-CD2 3.68Å; F228-L302 HydrophobicContact CE2-CD2 3.58Å; F228-L302 HydrophobicContact CZ-CD2 4.16Å |
| 229 | Q | 95.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 34.2 Ų | 34.2 | 38% | 0.383 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 41.4 | -175 | -62.6 | -171.5 | -27.8 | 0 | 0 | 113.1 | S225 M226 N290 L293 | S225-Q229 CarbonylContact O-C 3.6Å; S225-Q229 VanDerWaalsContact O-CA 3.31Å; S225-Q229 WeakPolarHBondContact O-CA 3.49Å; S225-Q229 PolarHBondContact O-N 2.7Å; M226-Q229 PolarHBondContact O-N 2.78Å; M226-Q229 VanDerWaalsContact O-N 3.16Å; Q229-N290 HydrophobicContact CB-CB 4.37Å; Q229-N290 HydrophobicContact CG-CB 4.16Å; Q229-L293 HydrophobicContact CG-CD1 3.8Å |
| 230 | K | 94.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | trans | -126.5 | 100.4 | -175.3 | -176.3 | -172.9 | 175.9 | -162.3 | 0 | 110.3 | S225 F228 P232 F233 | S225-K230 WeakPolarHBondContact CA-O 3.23Å; S225-K230 WeakPolarHBondContact CB-O 3.33Å; S225-K230 PolarHBondContact O-N 3.05Å; S225-K230 PolarHBondContact OG-O 3.12Å; F228-K230 HydrophobicContact CB-CB 4.4Å; F228-K230 PolarHBondContact O-N 3.45Å; K230-P232 CarbonylContact O-C 3.55Å; K230-F233 HydrophobicContact CB-CD2 4.39Å; K230-F233 HydrophobicContact CD-CD2 3.99Å; K230-F233 HydrophobicContact CD-CE2 4.32Å; K230-F233 WeakPolarHBondContact CE-O 3.31Å; K230-F233 PolarHBondContact NZ-O 3.18Å; K230-F233 VanDerWaalsContact NZ-O 3.07Å; K230-F233 WeakPolarHBondContact O-CA 3.18Å; K230-F233 PolarHBondContact O-N 2.91Å | ||
| 231 | E | 92.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 38.4 Ų | 38.4 | 42% | 0.421 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -113.6 | 122.6 | -176.2 | -160.5 | -166.2 | 158.9 | 0 | 0 | 112.9 | F122 | F122-E231 WeakPolarHBondContact CE2-OE1 3.45Š|
| 232 | P | 96.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | S | Bend | cis | -72.8 | 154.1 | -15 | 33.6 | -37.6 | 0 | 0 | 0 | 111.9 | Y197 K230 H235 | Y197-P232 HydrophobicContact CD1-CB 4.24Å; Y197-P232 HydrophobicContact CD1-CG 3.91Å; Y197-P232 HydrophobicContact CD2-CB 3.59Å; Y197-P232 HydrophobicContact CD2-CG 3.51Å; Y197-P232 HydrophobicContact CE1-CG 4.11Å; Y197-P232 HydrophobicContact CE2-CB 4.29Å; Y197-P232 HydrophobicContact CE2-CG 3.7Å; Y197-P232 HydrophobicContact CG-CB 3.56Å; Y197-P232 HydrophobicContact CG-CG 3.63Å; K230-P232 CarbonylContact O-C 3.55Å; P232-H235 HydrophobicContact CG-CB 3.8Å |
| 233 | F | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -63.5 | -50 | 178.9 | -173.5 | -102.4 | 0 | 0 | 0 | 112.8 | A224 S225 F228 K230 W282 F285 | A224-F233 HydrophobicContact CB-CB 3.92Å; A224-F233 HydrophobicContact CB-CD1 3.83Å; A224-F233 HydrophobicContact CB-CD2 3.82Å; A224-F233 HydrophobicContact CB-CE1 4.32Å; A224-F233 HydrophobicContact CB-CE2 4.33Å; A224-F233 HydrophobicContact CB-CG 3.56Å; S225-F233 PolarHBondContact OG-N 3.01Å; F228-F233 HydrophobicContact CB-CD2 4.47Å; F228-F233 HydrophobicContact CB-CE2 4.34Å; F228-F233 AromaticContact CD2-CD2 3.83Å; F228-F233 HydrophobicContact CD2-CD2 3.83Å; F228-F233 AromaticContact CD2-CE2 3.31Å; F228-F233 HydrophobicContact CD2-CE2 3.31Å; F228-F233 HydrophobicContact CD2-CZ 4.05Å; F228-F233 AromaticContact CE2-CE2 3.88Å; F228-F233 HydrophobicContact CE2-CE2 3.88Å; F228-F233 HydrophobicContact CE2-CZ 4.16Å; F228-F233 HydrophobicContact CG-CE2 4.12Å; K230-F233 HydrophobicContact CB-CD2 4.39Å; K230-F233 HydrophobicContact CD-CD2 3.99Å; K230-F233 HydrophobicContact CD-CE2 4.32Å; K230-F233 WeakPolarHBondContact CE-O 3.31Å; K230-F233 PolarHBondContact NZ-O 3.18Å; K230-F233 VanDerWaalsContact NZ-O 3.07Å; K230-F233 WeakPolarHBondContact O-CA 3.18Å; K230-F233 PolarHBondContact O-N 2.91Å; F233-W282 HydrophobicContact CE1-CH2 4.48Å; F233-W282 AromaticContact CE1-CZ3 3.82Å; F233-W282 HydrophobicContact CE1-CZ3 3.82Å; F233-W282 HydrophobicContact CZ-CE3 4.42Å; F233-W282 AromaticContact CZ-CZ3 3.77Å; F233-W282 HydrophobicContact CZ-CZ3 3.77Å; F233-F285 HydrophobicContact CE2-CD1 4.08Å; F233-F285 HydrophobicContact CE2-CE1 4.45Å; F233-F285 HydrophobicContact CE2-CG 4.18Å; F233-F285 HydrophobicContact CZ-CD1 4.06Å; F233-F285 HydrophobicContact CZ-CD2 4.18Å; F233-F285 HydrophobicContact CZ-CE1 4.05Å; F233-F285 HydrophobicContact CZ-CE2 4.19Å; F233-F285 HydrophobicContact CZ-CG 4.13Å; F233-F285 HydrophobicContact CZ-CZ 4.12Å |
| 234 | F | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -100.4 | 100.3 | 172 | -62.1 | -64.2 | 0 | 0 | 0 | 110.3 | Y197 W217 G236 Q242 R245 I246 V249 L306 | Y197-F234 WeakPolarHBondContact CD1-O 3.29Å; W217-F234 HydrophobicContact CH2-CE2 4.46Å; W217-F234 HydrophobicContact CZ2-CD2 4.45Å; W217-F234 HydrophobicContact CZ2-CE2 4.04Å; F234-G236 PolarHBondContact O-N 2.96Å; F234-Q242 PolarHBondContact O-NE2 2.93Å; F234-Q242 PolarHBondContact O-OE1 2.87Å; F234-R245 HydrophobicContact CB-CB 4.4Å; F234-R245 HydrophobicContact CD1-CB 4.41Å; F234-I246 HydrophobicContact CB-CG1 4.4Å; F234-I246 HydrophobicContact CD1-CG1 3.95Å; F234-I246 HydrophobicContact CD2-CG1 4.08Å; F234-I246 HydrophobicContact CE1-CB 4.43Å; F234-I246 HydrophobicContact CE1-CG1 4.18Å; F234-I246 HydrophobicContact CE2-CG1 4.31Å; F234-I246 HydrophobicContact CG-CG1 3.9Å; F234-I246 HydrophobicContact CZ-CG1 4.36Å; F234-V249 HydrophobicContact CD1-CG2 4.42Å; F234-V249 HydrophobicContact CE1-CB 3.87Å; F234-V249 HydrophobicContact CE1-CG1 4.39Å; F234-V249 HydrophobicContact CE1-CG2 3.72Å; F234-V249 HydrophobicContact CZ-CB 4.49Å; F234-L306 HydrophobicContact CE2-CD1 3.93Å; F234-L306 HydrophobicContact CE2-CD2 4.42Å; F234-L306 HydrophobicContact CZ-CD1 4.19Å |
| 235 | H | 98.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | trans | -102.8 | 76 | -172.3 | -159.8 | 167.5 | 0 | 0 | 0 | 112.2 | Y197 P232 | Y197-H235 AromaticContact CE1-CD2 3.58Å; Y197-H235 AromaticContact CZ-CD2 3.6Å; Y197-H235 AromaticContact CZ-NE2 3.81Å; Y197-H235 PolarHBondContact OH-CD2 3.41Å; Y197-H235 PolarHBondContact OH-NE2 3.26Å; P232-H235 HydrophobicContact CG-CB 3.8Å | ||
| 236 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -81.3 | 139.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R196 Y197 F234 D238 D241 Q242 | R196-G236 WeakPolarHBondContact CD-O 3.3Å; R196-G236 PolarHBondContact NH1-O 3.43Å; Y197-G236 WeakPolarHBondContact CE1-O 3.2Å; F234-G236 PolarHBondContact O-N 2.96Å; G236-D238 VanDerWaalsContact C-N 3.34Å; G236-D241 WeakPolarHBondContact CA-OD2 3.3Å; G236-Q242 VanDerWaalsContact CA-OE1 3.29Å | ||
| 237 | Q | 97.3 | Very high | 97.4 | Very high | 151 Ų | 151 | 41.6 Ų | 41.6 | 71% | 0.706 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -68.8 | -34.3 | 176.7 | -64.2 | -178.5 | -1.3 | 0 | 0 | 112.6 | R196 D241 | R196-Q237 PolarHBondContact NH1-O 2.88Å; R196-Q237 VanDerWaalsContact NH1-O 3.15Å; R196-Q237 PolarHBondContact NH2-O 3.47Å; Q237-D241 HydrophobicContact CB-CB 4.39Å; Q237-D241 PolarHBondContact N-OD2 2.95Å |
| 238 | D | 97.1 | Very high | 97.3 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -143.7 | -171.6 | 173.7 | 60.5 | 40.8 | 0 | 0 | 0 | 110.1 | G236 Y240 D241 Q242 | G236-D238 VanDerWaalsContact C-N 3.34Å; D238-Y240 VanDerWaalsContact C-N 3.31Å; D238-Y240 PolarHBondContact O-N 3.35Å; D238-Y240 WeakPolarHBondContact OD1-CA 3.21Å; D238-Y240 WeakPolarHBondContact OD1-CB 3.08Å; D238-Y240 PolarHBondContact OD1-N 3.03Å; D238-D241 PolarHBondContact OD1-N 3.37Å; D238-Q242 VanDerWaalsContact O-CB 3.29Å; D238-Q242 WeakPolarHBondContact O-CB 3.43Å; D238-Q242 PolarHBondContact O-N 2.83Å |
| 239 | N | 97.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 45.2 Ų | 45.2 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.3 | -27.5 | -179.7 | -68.3 | -11.7 | 0 | 0 | 0 | 112.9 | L204 | L204-N239 HydrophobicContact CD2-CB 4.09Å |
| 240 | Y | 96.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.4 | -51.2 | 177.4 | -70.4 | -86.7 | 0 | 0 | 0 | 110 | D238 Q242 L243 V244 D267 R269 F270 | D238-Y240 VanDerWaalsContact C-N 3.31Å; D238-Y240 PolarHBondContact O-N 3.35Å; D238-Y240 WeakPolarHBondContact OD1-CA 3.21Å; D238-Y240 WeakPolarHBondContact OD1-CB 3.08Å; D238-Y240 PolarHBondContact OD1-N 3.03Å; Y240-Q242 PolarHBondContact O-N 3.18Å; Y240-L243 PolarHBondContact O-N 3.26Å; Y240-L243 VanDerWaalsContact O-N 3.16Å; Y240-V244 PolarHBondContact O-N 3.31Å; Y240-D267 HydrophobicContact CE1-CB 4.27Å; Y240-D267 PolarHBondContact OH-OD2 2.96Å; Y240-R269 HydrophobicContact CD1-CB 4.13Å; Y240-R269 HydrophobicContact CE1-CB 4Å; Y240-R269 PolarHBondContact OH-NE 3.5Å; Y240-R269 PolarHBondContact OH-NH1 3.04Å; Y240-R269 PolarHBondContact OH-NH2 3.07Å; Y240-F270 HydrophobicContact CD1-CD1 4.12Å; Y240-F270 HydrophobicContact CD1-CD2 4.18Å; Y240-F270 AromaticContact CD1-CE1 3.59Å; Y240-F270 HydrophobicContact CD1-CE1 3.59Å; Y240-F270 AromaticContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CG 4.39Å; Y240-F270 AromaticContact CD1-CZ 3.36Å; Y240-F270 HydrophobicContact CD1-CZ 3.36Å; Y240-F270 HydrophobicContact CE1-CD2 4.21Å; Y240-F270 HydrophobicContact CE1-CE1 4.39Å; Y240-F270 AromaticContact CE1-CE2 3.64Å; Y240-F270 HydrophobicContact CE1-CE2 3.64Å; Y240-F270 AromaticContact CE1-CZ 3.76Å; Y240-F270 HydrophobicContact CE1-CZ 3.76Å; Y240-F270 HydrophobicContact CG-CE1 4.26Å; Y240-F270 HydrophobicContact CG-CZ 4.2Å |
| 241 | D | 97.4 | Very high | 97.7 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62 | -30.9 | 175.7 | -172.9 | 50.3 | 0 | 0 | 0 | 111.2 | G236 Q237 D238 L243 V244 R245 | G236-D241 WeakPolarHBondContact CA-OD2 3.3Å; Q237-D241 HydrophobicContact CB-CB 4.39Å; Q237-D241 PolarHBondContact N-OD2 2.95Å; D238-D241 PolarHBondContact OD1-N 3.37Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.49Å; D241-V244 CarbonylContact O-C 3.56Å; D241-V244 WeakPolarHBondContact O-CA 3.47Å; D241-V244 WeakPolarHBondContact O-CB 3.28Å; D241-V244 PolarHBondContact O-N 3.12Å; D241-V244 VanDerWaalsContact O-N 3.1Å; D241-R245 WeakPolarHBondContact O-CG 3.29Å; D241-R245 PolarHBondContact O-N 2.88Å; D241-R245 IonicContact OD1-CZ 2.7Å; D241-R245 IonicContact OD1-NE 2.96Å; D241-R245 PolarHBondContact OD1-NE 2.98Å; D241-R245 IonicContact OD1-NH2 3.58Å; D241-R245 PolarHBondContact OD1-NH2 3.17Å; D241-R245 IonicContact OD2-CZ 4Å; D241-R245 IonicContact OD2-NE 3.54Å; D241-R245 PolarHBondContact OD2-NE 3.15Å; D241-R245 IonicContact OD2-NH2 2.96Å; D241-R245 PolarHBondContact OD2-NH2 2.85Å |
| 242 | Q | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 175 | -171.9 | 66 | 25.1 | 0 | 0 | 112.2 | R196 L204 F234 G236 D238 Y240 V244 R245 I246 | R196-Q242 HydrophobicContact CG-CB 4.23Å; R196-Q242 HydrophobicContact CG-CG 4.28Å; L204-Q242 HydrophobicContact CD1-CB 4.15Å; L204-Q242 HydrophobicContact CD1-CG 3.78Å; L204-Q242 HydrophobicContact CD2-CB 4.26Å; L204-Q242 HydrophobicContact CD2-CG 4.28Å; F234-Q242 PolarHBondContact O-NE2 2.93Å; F234-Q242 PolarHBondContact O-OE1 2.87Å; G236-Q242 VanDerWaalsContact CA-OE1 3.29Å; D238-Q242 VanDerWaalsContact O-CB 3.29Å; D238-Q242 WeakPolarHBondContact O-CB 3.43Å; D238-Q242 PolarHBondContact O-N 2.83Å; Y240-Q242 PolarHBondContact O-N 3.18Å; Q242-V244 VanDerWaalsContact C-N 3.32Å; Q242-V244 PolarHBondContact O-N 3.06Å; Q242-R245 PolarHBondContact O-N 3.2Å; Q242-I246 HydrophobicContact CG-CD1 4.44Å; Q242-I246 WeakPolarHBondContact O-CG1 3.4Å; Q242-I246 PolarHBondContact O-N 3.19Å; Q242-I246 VanDerWaalsContact O-N 3.16Å |
| 243 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -36.5 | 176.9 | -173 | 62.9 | 0 | 0 | 0 | 111.3 | L204 V205 Y240 D241 R245 I246 A247 L255 L266 F270 L274 | L204-L243 HydrophobicContact CB-CB 4.25Å; L204-L243 HydrophobicContact CB-CD1 4.34Å; L204-L243 HydrophobicContact CD1-CB 4.1Å; L204-L243 HydrophobicContact CD1-CD1 4.25Å; V205-L243 HydrophobicContact CG1-CD1 4.38Å; V205-L243 HydrophobicContact CG1-CD2 3.64Å; Y240-L243 PolarHBondContact O-N 3.26Å; Y240-L243 VanDerWaalsContact O-N 3.16Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.49Å; L243-R245 VanDerWaalsContact C-N 3.34Å; L243-R245 PolarHBondContact O-N 3.3Å; L243-I246 PolarHBondContact O-N 3.44Å; L243-A247 WeakPolarHBondContact O-CB 3.39Å; L243-A247 PolarHBondContact O-N 3.04Å; L243-L255 HydrophobicContact CD1-CD1 4.33Å; L243-L255 HydrophobicContact CD1-CD2 4.45Å; L243-L255 HydrophobicContact CD2-CD2 4.37Å; L243-L255 HydrophobicContact CG-CD2 4.38Å; L243-L266 HydrophobicContact CD2-CD1 4.24Å; L243-F270 HydrophobicContact CB-CE1 3.74Å; L243-F270 HydrophobicContact CB-CZ 4.2Å; L243-F270 HydrophobicContact CD2-CD1 3.93Å; L243-F270 HydrophobicContact CD2-CE1 3.54Å; L243-F270 HydrophobicContact CD2-CE2 4.19Å; L243-F270 HydrophobicContact CD2-CG 4.42Å; L243-F270 HydrophobicContact CD2-CZ 3.67Å; L243-F270 HydrophobicContact CG-CE1 4.2Å; L243-L274 HydrophobicContact CG-CD2 4.34Å |
| 244 | V | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | Y240 D241 Q242 I246 A247 K248 L273 L274 | Y240-V244 PolarHBondContact O-N 3.31Å; D241-V244 CarbonylContact O-C 3.56Å; D241-V244 WeakPolarHBondContact O-CA 3.47Å; D241-V244 WeakPolarHBondContact O-CB 3.28Å; D241-V244 PolarHBondContact O-N 3.12Å; D241-V244 VanDerWaalsContact O-N 3.1Å; Q242-V244 VanDerWaalsContact C-N 3.32Å; Q242-V244 PolarHBondContact O-N 3.06Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.33Å; V244-A247 PolarHBondContact O-N 3.11Å; V244-K248 HydrophobicContact CG1-CD 4.25Å; V244-K248 WeakPolarHBondContact O-CG 3.11Å; V244-K248 PolarHBondContact O-N 3.45Å; V244-L273 HydrophobicContact CG2-CB 3.76Å; V244-L274 HydrophobicContact CG2-CD2 4.19Å |
| 245 | R | 98.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 32% | 0.317 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 176 | -61.5 | -48.9 | 169.9 | 164.7 | -4.9 | 112.2 | F234 D241 Q242 L243 | F234-R245 HydrophobicContact CB-CB 4.4Å; F234-R245 HydrophobicContact CD1-CB 4.41Å; D241-R245 WeakPolarHBondContact O-CG 3.29Å; D241-R245 PolarHBondContact O-N 2.88Å; D241-R245 IonicContact OD1-CZ 2.7Å; D241-R245 IonicContact OD1-NE 2.96Å; D241-R245 PolarHBondContact OD1-NE 2.98Å; D241-R245 IonicContact OD1-NH2 3.58Å; D241-R245 PolarHBondContact OD1-NH2 3.17Å; D241-R245 IonicContact OD2-CZ 4Å; D241-R245 IonicContact OD2-NE 3.54Å; D241-R245 PolarHBondContact OD2-NE 3.15Å; D241-R245 IonicContact OD2-NH2 2.96Å; D241-R245 PolarHBondContact OD2-NH2 2.85Å; Q242-R245 PolarHBondContact O-N 3.2Å; L243-R245 VanDerWaalsContact C-N 3.34Å; L243-R245 PolarHBondContact O-N 3.3Å |
| 246 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.4 | -48.1 | 175.1 | -65.2 | 163.3 | 0 | 0 | 0 | 110.1 | L204 W217 F234 Q242 L243 V244 K248 V249 L250 Y308 | L204-I246 HydrophobicContact CD1-CD1 3.62Å; W217-I246 HydrophobicContact CH2-CD1 4.28Å; W217-I246 HydrophobicContact CH2-CG1 4.37Å; W217-I246 HydrophobicContact CH2-CG2 3.66Å; W217-I246 HydrophobicContact CZ2-CD1 3.6Å; W217-I246 HydrophobicContact CZ2-CG1 3.9Å; W217-I246 HydrophobicContact CZ2-CG2 4.07Å; F234-I246 HydrophobicContact CB-CG1 4.4Å; F234-I246 HydrophobicContact CD1-CG1 3.95Å; F234-I246 HydrophobicContact CD2-CG1 4.08Å; F234-I246 HydrophobicContact CE1-CB 4.43Å; F234-I246 HydrophobicContact CE1-CG1 4.18Å; F234-I246 HydrophobicContact CE2-CG1 4.31Å; F234-I246 HydrophobicContact CG-CG1 3.9Å; F234-I246 HydrophobicContact CZ-CG1 4.36Å; Q242-I246 HydrophobicContact CG-CD1 4.44Å; Q242-I246 WeakPolarHBondContact O-CG1 3.4Å; Q242-I246 PolarHBondContact O-N 3.19Å; Q242-I246 VanDerWaalsContact O-N 3.16Å; L243-I246 PolarHBondContact O-N 3.44Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.33Å; I246-K248 VanDerWaalsContact C-N 3.29Å; I246-K248 PolarHBondContact O-N 3.26Å; I246-V249 PolarHBondContact O-N 3.12Å; I246-L250 HydrophobicContact CG2-CD1 3.81Å; I246-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 PolarHBondContact O-N 3.1Å; I246-Y308 HydrophobicContact CG2-CE1 3.6Å |
| 247 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -34.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L243 V244 V249 G251 T252 L255 L274 Q277 Y308 | L243-A247 WeakPolarHBondContact O-CB 3.39Å; L243-A247 PolarHBondContact O-N 3.04Å; V244-A247 PolarHBondContact O-N 3.11Å; A247-V249 PolarHBondContact O-N 3.28Å; A247-V249 VanDerWaalsContact O-N 3.14Å; A247-G251 CarbonylContact O-C 3.45Å; A247-G251 WeakPolarHBondContact O-CA 3.35Å; A247-G251 PolarHBondContact O-N 3.39Å; A247-T252 HydrophobicContact CB-CG2 4.06Å; A247-L255 HydrophobicContact CB-CD2 4.48Å; A247-L274 HydrophobicContact CB-CD2 3.74Å; A247-Q277 VanDerWaalsContact O-CB 3.24Å; A247-Q277 WeakPolarHBondContact O-CB 3.41Å; A247-Y308 WeakPolarHBondContact CA-OH 3.35Å |
| 248 | K | 97.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 33.9 Ų | 33.9 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.8 | -11.9 | 173.2 | -76.6 | 176.1 | 176.2 | 176 | 0 | 114.3 | V244 I246 Q277 K280 | V244-K248 HydrophobicContact CG1-CD 4.25Å; V244-K248 WeakPolarHBondContact O-CG 3.11Å; V244-K248 PolarHBondContact O-N 3.45Å; I246-K248 VanDerWaalsContact C-N 3.29Å; I246-K248 PolarHBondContact O-N 3.26Å; K248-Q277 HydrophobicContact CG-CG 4.21Å; K248-K280 VanDerWaalsContact O-CD 3.29Å; K248-K280 WeakPolarHBondContact O-CD 3.43Å; K248-K280 WeakPolarHBondContact O-CE 3.35Å |
| 249 | V | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 31 Ų | 31 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -112.8 | -52.1 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 111 | F234 I246 A247 G251 R279 K280 W282 F285 | F234-V249 HydrophobicContact CD1-CG2 4.42Å; F234-V249 HydrophobicContact CE1-CB 3.87Å; F234-V249 HydrophobicContact CE1-CG1 4.39Å; F234-V249 HydrophobicContact CE1-CG2 3.72Å; F234-V249 HydrophobicContact CZ-CB 4.49Å; I246-V249 PolarHBondContact O-N 3.12Å; A247-V249 PolarHBondContact O-N 3.28Å; A247-V249 VanDerWaalsContact O-N 3.14Å; V249-G251 VanDerWaalsContact C-N 3.3Å; V249-G251 PolarHBondContact O-N 3.48Å; V249-R279 WeakPolarHBondContact O-CA 3.44Å; V249-K280 PolarHBondContact O-N 2.84Å; V249-W282 HydrophobicContact CG1-CE3 4.45Å; V249-W282 HydrophobicContact CG1-CH2 3.82Å; V249-W282 HydrophobicContact CG1-CZ3 3.67Å; V249-F285 HydrophobicContact CB-CZ 4.42Å; V249-F285 HydrophobicContact CG1-CE2 3.88Å; V249-F285 HydrophobicContact CG1-CZ 3.82Å; V249-F285 HydrophobicContact CG2-CE1 4.48Å; V249-F285 HydrophobicContact CG2-CZ 3.82Å |
| 250 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -84.4 | -5.7 | -176.5 | -59.1 | -173.4 | 0 | 0 | 0 | 113.5 | W217 I246 W282 L306 Y308 | W217-L250 HydrophobicContact CH2-CD1 3.68Å; W217-L250 HydrophobicContact CZ3-CD1 3.88Å; I246-L250 HydrophobicContact CG2-CD1 3.81Å; I246-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 PolarHBondContact O-N 3.1Å; L250-W282 HydrophobicContact CD2-CH2 3.98Å; L250-W282 HydrophobicContact CD2-CZ2 3.87Å; L250-L306 WeakPolarHBondContact CD1-O 3.5Å; L250-Y308 HydrophobicContact CB-CD2 4.22Å; L250-Y308 HydrophobicContact CB-CE2 3.39Å; L250-Y308 HydrophobicContact CD1-CD2 4.35Å; L250-Y308 HydrophobicContact CD1-CE1 4.44Å; L250-Y308 HydrophobicContact CD1-CE2 4.14Å; L250-Y308 HydrophobicContact CG-CE2 4.42Å |
| 251 | G | 98 | Very high | 97.7 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | 80.1 | 161.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A247 V249 Q277 Y308 | A247-G251 CarbonylContact O-C 3.45Å; A247-G251 WeakPolarHBondContact O-CA 3.35Å; A247-G251 PolarHBondContact O-N 3.39Å; V249-G251 VanDerWaalsContact C-N 3.3Å; V249-G251 PolarHBondContact O-N 3.48Å; G251-Q277 VanDerWaalsContact CA-O 3.25Å; G251-Q277 WeakPolarHBondContact CA-O 3.4Å; G251-Y308 WeakPolarHBondContact O-CE2 3.35Å; G251-Y308 PolarHBondContact O-OH 3.34Å | ||
| 252 | T | 97 | Very high | 97.7 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -89.3 | -26.8 | -179.9 | 46.4 | 0 | 0 | 0 | 0 | 113 | A247 E254 L255 F256 L274 G275 Q277 | A247-T252 HydrophobicContact CB-CG2 4.06Å; T252-E254 PolarHBondContact O-N 3.48Å; T252-L255 WeakPolarHBondContact O-CB 3.41Å; T252-L255 PolarHBondContact O-N 3.06Å; T252-F256 WeakPolarHBondContact O-CD2 3.47Å; T252-F256 WeakPolarHBondContact O-CG 3.47Å; T252-F256 PolarHBondContact O-N 3.11Å; T252-L274 HydrophobicContact CG2-CB 4.36Å; T252-G275 WeakPolarHBondContact CG2-O 3.39Å; T252-Q277 HydrophobicContact CG2-CB 3.93Å; T252-Q277 HydrophobicContact CG2-CG 3.92Å; T252-Q277 PolarHBondContact N-O 3.37Å; T252-Q277 PolarHBondContact OG1-N 3.35Å; T252-Q277 PolarHBondContact OG1-O 3.32Å |
| 253 | D | 96.9 | Very high | 97.5 | Very high | 112 Ų | 112 | 44.4 Ų | 44.4 | 60% | 0.599 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.8 | -43 | -178.3 | -66.3 | -13.5 | 0 | 0 | 0 | 111.7 | F256 G257 | D253-F256 PolarHBondContact O-N 2.88Å; D253-G257 PolarHBondContact O-N 3.24Å |
| 254 | E | 95.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.8 | -38.1 | 175.1 | -69.2 | -175.4 | -152.1 | 0 | 0 | 112.5 | T252 G257 Y258 R279 Y308 | T252-E254 PolarHBondContact O-N 3.48Å; E254-G257 PolarHBondContact O-N 3.04Å; E254-Y258 PolarHBondContact O-N 3.39Å; E254-R279 WeakPolarHBondContact OE1-CD 3.36Å; E254-R279 IonicContact OE1-CZ 2.67Å; E254-R279 IonicContact OE1-NE 2.99Å; E254-R279 IonicContact OE1-NH1 3.19Å; E254-R279 PolarHBondContact OE1-NH1 3.12Å; E254-R279 IonicContact OE2-CZ 3.86Å; E254-R279 IonicContact OE2-NH1 3.55Å; E254-R279 PolarHBondContact OE2-NH1 3.35Å; E254-Y308 HydrophobicContact CB-CD2 3.72Å; E254-Y308 HydrophobicContact CB-CE2 3.93Å |
| 255 | L | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 174 | 174.5 | 59.2 | 0 | 0 | 0 | 110.4 | L243 A247 T252 G257 Y258 L259 L274 Y308 | L243-L255 HydrophobicContact CD1-CD1 4.33Å; L243-L255 HydrophobicContact CD1-CD2 4.45Å; L243-L255 HydrophobicContact CD2-CD2 4.37Å; L243-L255 HydrophobicContact CG-CD2 4.38Å; A247-L255 HydrophobicContact CB-CD2 4.48Å; T252-L255 WeakPolarHBondContact O-CB 3.41Å; T252-L255 PolarHBondContact O-N 3.06Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 2.75Å; L255-Y258 HydrophobicContact CD1-CD1 4.49Å; L255-Y258 WeakPolarHBondContact O-CB 3.42Å; L255-Y258 PolarHBondContact O-N 2.79Å; L255-L259 HydrophobicContact CD1-CD1 4.25Å; L255-L259 HydrophobicContact CD1-CG 4.25Å; L255-L259 HydrophobicContact CG-CD1 4.14Å; L255-L259 VanDerWaalsContact O-CG 3.3Å; L255-L259 WeakPolarHBondContact O-CG 3.25Å; L255-L259 PolarHBondContact O-N 3.43Å; L255-L274 HydrophobicContact CD2-CD1 3.81Å; L255-L274 HydrophobicContact CD2-CD2 4.06Å; L255-Y308 HydrophobicContact CB-CD1 4.37Å; L255-Y308 HydrophobicContact CB-CD2 4.35Å; L255-Y308 HydrophobicContact CB-CE1 3.97Å; L255-Y308 HydrophobicContact CB-CE2 3.9Å; L255-Y308 HydrophobicContact CD1-CD1 3.86Å; L255-Y308 HydrophobicContact CD1-CE1 3.8Å; L255-Y308 HydrophobicContact CG-CE1 4.32Å |
| 256 | F | 97 | Very high | 96.9 | Very high | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67 | -31.5 | 178.3 | -67.2 | -56 | 0 | 0 | 0 | 112.5 | T252 D253 L259 R260 L266 L274 | T252-F256 WeakPolarHBondContact O-CD2 3.47Å; T252-F256 WeakPolarHBondContact O-CG 3.47Å; T252-F256 PolarHBondContact O-N 3.11Å; D253-F256 PolarHBondContact O-N 2.88Å; F256-L259 HydrophobicContact CD1-CD1 3.97Å; F256-L259 HydrophobicContact CE1-CD1 4.42Å; F256-R260 WeakPolarHBondContact O-CB 3.45Å; F256-R260 WeakPolarHBondContact O-CG 3.39Å; F256-R260 PolarHBondContact O-N 2.88Å; F256-L266 HydrophobicContact CE1-CD2 4.39Å; F256-L274 HydrophobicContact CZ-CD1 4.45Å |
| 257 | G | 97.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 54 Ų | 54 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D253 E254 L255 R260 K261 | D253-G257 PolarHBondContact O-N 3.24Å; E254-G257 PolarHBondContact O-N 3.04Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 2.75Å; G257-R260 PolarHBondContact O-N 3.09Å; G257-K261 WeakPolarHBondContact O-CB 3.33Å; G257-K261 PolarHBondContact O-N 3.22Å |
| 258 | Y | 97.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -50 | 175.2 | 168.4 | -112.3 | 0 | 0 | 0 | 112.1 | V205 E254 L255 R260 K261 Y262 I264 D309 H310 | V205-Y258 HydrophobicContact CG2-CE1 3.99Å; E254-Y258 PolarHBondContact O-N 3.39Å; L255-Y258 HydrophobicContact CD1-CD1 4.49Å; L255-Y258 WeakPolarHBondContact O-CB 3.42Å; L255-Y258 PolarHBondContact O-N 2.79Å; Y258-R260 VanDerWaalsContact C-N 3.33Å; Y258-R260 PolarHBondContact O-N 3.07Å; Y258-K261 WeakPolarHBondContact O-CB 3.48Å; Y258-K261 PolarHBondContact O-N 3.15Å; Y258-K261 VanDerWaalsContact O-N 3.17Å; Y258-Y262 AromaticContact CD2-CD2 3.41Å; Y258-Y262 HydrophobicContact CD2-CD2 3.41Å; Y258-Y262 VanDerWaalsContact CD2-CD2 3.41Å; Y258-Y262 AromaticContact CD2-CE2 3.45Å; Y258-Y262 HydrophobicContact CD2-CE2 3.45Å; Y258-Y262 VanDerWaalsContact CD2-CE2 3.45Å; Y258-Y262 AromaticContact CE2-CD2 3.26Å; Y258-Y262 HydrophobicContact CE2-CD2 3.26Å; Y258-Y262 AromaticContact CE2-CE2 3.32Å; Y258-Y262 HydrophobicContact CE2-CE2 3.32Å; Y258-Y262 HydrophobicContact CE2-CG 4.31Å; Y258-Y262 HydrophobicContact CG-CD2 4.4Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.33Å; Y258-Y262 PolarHBondContact O-N 3.03Å; Y258-I264 HydrophobicContact CD1-CD1 4.42Å; Y258-I264 HydrophobicContact CE1-CD1 3.75Å; Y258-D309 HydrophobicContact CD2-CB 4Å; Y258-H310 AromaticContact CE2-ND1 3.6Å |
| 259 | L | 96.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 179 | -65.5 | 171.4 | 0 | 0 | 0 | 112 | V205 L255 F256 H263 I264 L266 | V205-L259 HydrophobicContact CB-CD2 4.05Å; V205-L259 HydrophobicContact CG1-CD2 4.07Å; V205-L259 HydrophobicContact CG2-CD2 4.09Å; L255-L259 HydrophobicContact CD1-CD1 4.25Å; L255-L259 HydrophobicContact CD1-CG 4.25Å; L255-L259 HydrophobicContact CG-CD1 4.14Å; L255-L259 VanDerWaalsContact O-CG 3.3Å; L255-L259 WeakPolarHBondContact O-CG 3.25Å; L255-L259 PolarHBondContact O-N 3.43Å; F256-L259 HydrophobicContact CD1-CD1 3.97Å; F256-L259 HydrophobicContact CE1-CD1 4.42Å; L259-H263 WeakPolarHBondContact O-CA 3.42Å; L259-H263 PolarHBondContact O-N 3.11Å; L259-I264 HydrophobicContact CD2-CB 3.68Å; L259-I264 HydrophobicContact CD2-CD1 4.2Å; L259-I264 HydrophobicContact CD2-CG2 3.6Å; L259-I264 PolarHBondContact O-N 3.13Å; L259-L266 HydrophobicContact CD1-CB 4.09Å; L259-L266 HydrophobicContact CD1-CD1 4.18Å; L259-L266 HydrophobicContact CD1-CD2 3.94Å; L259-L266 HydrophobicContact CD1-CG 4.3Å; L259-L266 HydrophobicContact CD2-CD1 4.4Å |
| 260 | R | 97.3 | Very high | 95.3 | Very high | 171 Ų | 171 | 61.3 Ų | 61.3 | 65% | 0.645 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 175.5 | -75.7 | -170.9 | -59.2 | -93.4 | 0.6 | 112.4 | F256 G257 Y258 Y262 H263 | F256-R260 WeakPolarHBondContact O-CB 3.45Å; F256-R260 WeakPolarHBondContact O-CG 3.39Å; F256-R260 PolarHBondContact O-N 2.88Å; G257-R260 PolarHBondContact O-N 3.09Å; Y258-R260 VanDerWaalsContact C-N 3.33Å; Y258-R260 PolarHBondContact O-N 3.07Å; R260-Y262 VanDerWaalsContact C-N 3.3Å; R260-Y262 PolarHBondContact O-N 3.39Å; R260-H263 PolarHBondContact O-N 3Å |
| 261 | K | 97.1 | Very high | 94.3 | Very high | 108 Ų | 108 | 69.3 Ų | 69.3 | 47% | 0.47 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | -178.8 | -178.4 | -175.8 | 179.4 | -158.9 | 0 | 112.1 | G257 Y258 D309 | G257-K261 WeakPolarHBondContact O-CB 3.33Å; G257-K261 PolarHBondContact O-N 3.22Å; Y258-K261 WeakPolarHBondContact O-CB 3.48Å; Y258-K261 PolarHBondContact O-N 3.15Å; Y258-K261 VanDerWaalsContact O-N 3.17Å; K261-D309 WeakPolarHBondContact CD-OD2 3.13Å; K261-D309 IonicContact NZ-OD1 2.89Å; K261-D309 PolarHBondContact NZ-OD1 3.47Å; K261-D309 IonicContact NZ-OD2 3.33Å; K261-D309 PolarHBondContact NZ-OD2 3.45Å |
| 262 | Y | 96.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 76.4 Ų | 76.4 | 10% | 0.098 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 8.4 | -176.8 | -66 | -77.5 | 0 | 0 | 0 | 113.9 | Y207 Y258 R260 I264 D309 H310 Q311 | Y207-Y262 HydrophobicContact CE2-CD1 4.35Å; Y207-Y262 HydrophobicContact CE2-CG 4.43Å; Y207-Y262 AromaticContact CZ-CD1 3.9Å; Y258-Y262 AromaticContact CD2-CD2 3.41Å; Y258-Y262 HydrophobicContact CD2-CD2 3.41Å; Y258-Y262 VanDerWaalsContact CD2-CD2 3.41Å; Y258-Y262 AromaticContact CD2-CE2 3.45Å; Y258-Y262 HydrophobicContact CD2-CE2 3.45Å; Y258-Y262 VanDerWaalsContact CD2-CE2 3.45Å; Y258-Y262 AromaticContact CE2-CD2 3.26Å; Y258-Y262 HydrophobicContact CE2-CD2 3.26Å; Y258-Y262 AromaticContact CE2-CE2 3.32Å; Y258-Y262 HydrophobicContact CE2-CE2 3.32Å; Y258-Y262 HydrophobicContact CE2-CG 4.31Å; Y258-Y262 HydrophobicContact CG-CD2 4.4Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.33Å; Y258-Y262 PolarHBondContact O-N 3.03Å; R260-Y262 VanDerWaalsContact C-N 3.3Å; R260-Y262 PolarHBondContact O-N 3.39Å; Y262-I264 VanDerWaalsContact C-N 3.26Å; Y262-I264 PolarHBondContact O-N 2.84Å; Y262-D309 VanDerWaalsContact CE2-OD1 3.28Å; Y262-D309 WeakPolarHBondContact CE2-OD1 3.28Å; Y262-D309 PolarHBondContact OH-OD1 2.91Å; Y262-H310 AromaticContact CE1-CE1 3.8Å; Y262-H310 AromaticContact CE2-CE1 3.95Å; Y262-H310 AromaticContact CZ-CE1 3.58Å; Y262-Q311 WeakPolarHBondContact OH-CB 3.46Å; Y262-Q311 WeakPolarHBondContact OH-CG 3.25Å |
| 263 | H | 95.8 | Very high | 93 | Very high | 138 Ų | 138 | 80.3 Ų | 80.3 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.6 | -177.8 | -54.5 | -64.1 | 0 | 0 | 0 | 113.2 | L259 R260 | L259-H263 WeakPolarHBondContact O-CA 3.42Å; L259-H263 PolarHBondContact O-N 3.11Å; R260-H263 PolarHBondContact O-N 3Å |
| 264 | I | 95.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 75.2 Ų | 75.2 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | trans | -86.3 | 122.8 | -178.6 | -60.3 | 164.1 | 0 | 0 | 0 | 109.4 | V205 Y207 Y258 L259 Y262 L266 | V205-I264 HydrophobicContact CB-CG2 4.11Å; V205-I264 HydrophobicContact CG2-CD1 4.02Å; V205-I264 HydrophobicContact CG2-CG2 3.95Å; V205-I264 WeakPolarHBondContact O-CG2 3.31Å; Y207-I264 HydrophobicContact CD2-CD1 3.71Å; Y207-I264 HydrophobicContact CD2-CG1 3.7Å; Y207-I264 HydrophobicContact CE2-CD1 4.48Å; Y207-I264 HydrophobicContact CE2-CG1 4.39Å; Y207-I264 HydrophobicContact CG-CD1 3.89Å; Y207-I264 HydrophobicContact CG-CG1 4.35Å; Y258-I264 HydrophobicContact CD1-CD1 4.42Å; Y258-I264 HydrophobicContact CE1-CD1 3.75Å; L259-I264 HydrophobicContact CD2-CB 3.68Å; L259-I264 HydrophobicContact CD2-CD1 4.2Å; L259-I264 HydrophobicContact CD2-CG2 3.6Å; L259-I264 PolarHBondContact O-N 3.13Å; Y262-I264 VanDerWaalsContact C-N 3.26Å; Y262-I264 PolarHBondContact O-N 2.84Å; I264-L266 PolarHBondContact O-N 3.23Å | ||
| 265 | E | 93.3 | Very high | 92.3 | Very high | 187 Ų | 187 | 73.9 Ų | 73.9 | 87% | 0.874 | 36% | 0.364 | S | S | * | . | trans | -79.7 | 112.7 | 169.9 | -67.2 | -170.5 | 174.6 | 0 | 0 | 110.1 | ||||
| 266 | L | 92.6 | Very high | 92 | Very high | 39 Ų | 39 | 81.6 Ų | 81.6 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | trans | -76.6 | 131.1 | 178.2 | -169.2 | 67.3 | 0 | 0 | 0 | 110.3 | V205 L243 F256 L259 I264 F270 L274 | V205-L266 HydrophobicContact CB-CD1 4.21Å; V205-L266 HydrophobicContact CG1-CD1 3.76Å; L243-L266 HydrophobicContact CD2-CD1 4.24Å; F256-L266 HydrophobicContact CE1-CD2 4.39Å; L259-L266 HydrophobicContact CD1-CB 4.09Å; L259-L266 HydrophobicContact CD1-CD1 4.18Å; L259-L266 HydrophobicContact CD1-CD2 3.94Å; L259-L266 HydrophobicContact CD1-CG 4.3Å; L259-L266 HydrophobicContact CD2-CD1 4.4Å; I264-L266 PolarHBondContact O-N 3.23Å; L266-F270 HydrophobicContact CD1-CB 4.32Å; L266-F270 HydrophobicContact CD1-CD2 3.44Å; L266-F270 VanDerWaalsContact CD1-CD2 3.44Å; L266-F270 HydrophobicContact CD1-CE2 3.9Å; L266-F270 HydrophobicContact CD1-CG 4.01Å; L266-F270 HydrophobicContact CD2-CB 3.58Å; L266-F270 HydrophobicContact CD2-CD2 4.3Å; L266-F270 HydrophobicContact CD2-CG 4.16Å; L266-F270 HydrophobicContact CG-CB 3.8Å; L266-F270 HydrophobicContact CG-CD2 3.64Å; L266-F270 HydrophobicContact CG-CG 4.01Å; L266-L274 HydrophobicContact CD2-CD1 3.71Å | ||
| 267 | D | 92.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 80.6 Ų | 80.6 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | trans | -49.5 | 128.8 | 175.5 | -174.8 | -39.9 | 0 | 0 | 0 | 110.6 | Y240 R269 F270 | Y240-D267 HydrophobicContact CE1-CB 4.27Å; Y240-D267 PolarHBondContact OH-OD2 2.96Å; D267-R269 PolarHBondContact O-N 2.97Å; D267-R269 WeakPolarHBondContact OD1-CB 3.14Å; D267-R269 WeakPolarHBondContact OD1-CG 3.45Å; D267-R269 IonicContact OD1-CZ 3.46Å; D267-R269 PolarHBondContact OD1-N 3.43Å; D267-R269 IonicContact OD1-NE 2.64Å; D267-R269 PolarHBondContact OD1-NE 3.22Å; D267-R269 VanDerWaalsContact OD1-NE 3.08Å; D267-R269 IonicContact OD2-CZ 3.45Å; D267-R269 IonicContact OD2-NE 2.62Å; D267-R269 PolarHBondContact OD2-NE 3.12Å; D267-R269 IonicContact OD2-NH2 2.76Å; D267-R269 PolarHBondContact OD2-NH2 2.92Å; D267-F270 HydrophobicContact CB-CD2 3.83Å; D267-F270 HydrophobicContact CB-CE2 4.03Å; D267-F270 WeakPolarHBondContact O-CB 3.49Å; D267-F270 WeakPolarHBondContact O-CD2 3.49Å; D267-F270 PolarHBondContact O-N 2.7Å | ||
| 268 | P | 89.4 | Confident | 91.9 | Very high | 91 Ų | 91 | 84.6 Ų | 84.6 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -52.6 | -27.2 | -177.8 | -28.9 | 35.2 | 0 | 0 | 0 | 114.4 | F270 K271 | P268-F270 PolarHBondContact O-N 2.95Å; P268-F270 VanDerWaalsContact O-N 3.12Å; P268-K271 WeakPolarHBondContact O-CB 3.37Å; P268-K271 PolarHBondContact O-N 3.11Å; P268-K271 VanDerWaalsContact O-N 3.08Å |
| 269 | R | 89.9 | Confident | 91.9 | Very high | 143 Ų | 143 | 88 Ų | 88 | 54% | 0.54 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -57.2 | -24.3 | 175.6 | -71.7 | 179.4 | -80.1 | -170.8 | -15.1 | 113.7 | Y240 D267 L273 | Y240-R269 HydrophobicContact CD1-CB 4.13Å; Y240-R269 HydrophobicContact CE1-CB 4Å; Y240-R269 PolarHBondContact OH-NE 3.5Å; Y240-R269 PolarHBondContact OH-NH1 3.04Å; Y240-R269 PolarHBondContact OH-NH2 3.07Å; D267-R269 PolarHBondContact O-N 2.97Å; D267-R269 WeakPolarHBondContact OD1-CB 3.14Å; D267-R269 WeakPolarHBondContact OD1-CG 3.45Å; D267-R269 IonicContact OD1-CZ 3.46Å; D267-R269 PolarHBondContact OD1-N 3.43Å; D267-R269 IonicContact OD1-NE 2.64Å; D267-R269 PolarHBondContact OD1-NE 3.22Å; D267-R269 VanDerWaalsContact OD1-NE 3.08Å; D267-R269 IonicContact OD2-CZ 3.45Å; D267-R269 IonicContact OD2-NE 2.62Å; D267-R269 PolarHBondContact OD2-NE 3.12Å; D267-R269 IonicContact OD2-NH2 2.76Å; D267-R269 PolarHBondContact OD2-NH2 2.92Å; R269-L273 WeakPolarHBondContact O-CD1 3.46Å; R269-L273 WeakPolarHBondContact O-CG 3.45Å |
| 270 | F | 88.8 | Confident | 91.9 | Very high | 3 Ų | 3 | 91.2 Ų | 91.2 | 1% | 0.013 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -77.6 | -18.9 | 178.6 | -73.4 | -67.9 | 0 | 0 | 0 | 114.3 | Y240 L243 L266 D267 P268 D272 L273 L274 | Y240-F270 HydrophobicContact CD1-CD1 4.12Å; Y240-F270 HydrophobicContact CD1-CD2 4.18Å; Y240-F270 AromaticContact CD1-CE1 3.59Å; Y240-F270 HydrophobicContact CD1-CE1 3.59Å; Y240-F270 AromaticContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CG 4.39Å; Y240-F270 AromaticContact CD1-CZ 3.36Å; Y240-F270 HydrophobicContact CD1-CZ 3.36Å; Y240-F270 HydrophobicContact CE1-CD2 4.21Å; Y240-F270 HydrophobicContact CE1-CE1 4.39Å; Y240-F270 AromaticContact CE1-CE2 3.64Å; Y240-F270 HydrophobicContact CE1-CE2 3.64Å; Y240-F270 AromaticContact CE1-CZ 3.76Å; Y240-F270 HydrophobicContact CE1-CZ 3.76Å; Y240-F270 HydrophobicContact CG-CE1 4.26Å; Y240-F270 HydrophobicContact CG-CZ 4.2Å; L243-F270 HydrophobicContact CB-CE1 3.74Å; L243-F270 HydrophobicContact CB-CZ 4.2Å; L243-F270 HydrophobicContact CD2-CD1 3.93Å; L243-F270 HydrophobicContact CD2-CE1 3.54Å; L243-F270 HydrophobicContact CD2-CE2 4.19Å; L243-F270 HydrophobicContact CD2-CG 4.42Å; L243-F270 HydrophobicContact CD2-CZ 3.67Å; L243-F270 HydrophobicContact CG-CE1 4.2Å; L266-F270 HydrophobicContact CD1-CB 4.32Å; L266-F270 HydrophobicContact CD1-CD2 3.44Å; L266-F270 VanDerWaalsContact CD1-CD2 3.44Å; L266-F270 HydrophobicContact CD1-CE2 3.9Å; L266-F270 HydrophobicContact CD1-CG 4.01Å; L266-F270 HydrophobicContact CD2-CB 3.58Å; L266-F270 HydrophobicContact CD2-CD2 4.3Å; L266-F270 HydrophobicContact CD2-CG 4.16Å; L266-F270 HydrophobicContact CG-CB 3.8Å; L266-F270 HydrophobicContact CG-CD2 3.64Å; L266-F270 HydrophobicContact CG-CG 4.01Å; D267-F270 HydrophobicContact CB-CD2 3.83Å; D267-F270 HydrophobicContact CB-CE2 4.03Å; D267-F270 WeakPolarHBondContact O-CB 3.49Å; D267-F270 WeakPolarHBondContact O-CD2 3.49Å; D267-F270 PolarHBondContact O-N 2.7Å; P268-F270 PolarHBondContact O-N 2.95Å; P268-F270 VanDerWaalsContact O-N 3.12Å; F270-D272 VanDerWaalsContact C-N 3.28Å; F270-D272 PolarHBondContact O-N 3.07Å; F270-L273 PolarHBondContact O-N 3.38Å; F270-L273 VanDerWaalsContact O-N 3.11Å; F270-L274 HydrophobicContact CB-CD1 3.91Å; F270-L274 HydrophobicContact CB-CG 4.25Å; F270-L274 HydrophobicContact CD1-CD1 4.49Å; F270-L274 HydrophobicContact CD1-CG 4.36Å; F270-L274 HydrophobicContact CG-CD1 4.48Å; F270-L274 PolarHBondContact O-N 3.27Å; F270-L274 VanDerWaalsContact O-N 3.09Å |
| 271 | K | 77.6 | Confident | 92 | Very high | 168 Ų | 168 | 90.9 Ų | 90.9 | 73% | 0.73 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.6 | -43.1 | -176.8 | -72.8 | -175.5 | 178.1 | -179.6 | 0 | 111.8 | P268 | P268-K271 WeakPolarHBondContact O-CB 3.37Å; P268-K271 PolarHBondContact O-N 3.11Å; P268-K271 VanDerWaalsContact O-N 3.08Å |
| 272 | D | 81.8 | Confident | 92.1 | Very high | 152 Ų | 152 | 86.3 Ų | 86.3 | 81% | 0.813 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -83.4 | -16.4 | -178.7 | -56.6 | -34.1 | 0 | 0 | 0 | 112.8 | F270 | F270-D272 VanDerWaalsContact C-N 3.28Å; F270-D272 PolarHBondContact O-N 3.07Å |
| 273 | L | 86.1 | Confident | 92.1 | Very high | 85 Ų | 85 | 89.4 Ų | 89.4 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -96.7 | -35.2 | -170.3 | -67.2 | 177.7 | 0 | 0 | 0 | 114.4 | V244 R269 F270 | V244-L273 HydrophobicContact CG2-CB 3.76Å; R269-L273 WeakPolarHBondContact O-CD1 3.46Å; R269-L273 WeakPolarHBondContact O-CG 3.45Å; F270-L273 PolarHBondContact O-N 3.38Å; F270-L273 VanDerWaalsContact O-N 3.11Å |
| 274 | L | 89.2 | Confident | 92.2 | Very high | 5 Ų | 5 | 88.6 Ų | 88.6 | 3% | 0.026 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -77.1 | -40.1 | -172.6 | -71 | 171.5 | 0 | 0 | 0 | 112.6 | L243 V244 A247 T252 L255 F256 L266 F270 Q277 | L243-L274 HydrophobicContact CG-CD2 4.34Å; V244-L274 HydrophobicContact CG2-CD2 4.19Å; A247-L274 HydrophobicContact CB-CD2 3.74Å; T252-L274 HydrophobicContact CG2-CB 4.36Å; L255-L274 HydrophobicContact CD2-CD1 3.81Å; L255-L274 HydrophobicContact CD2-CD2 4.06Å; F256-L274 HydrophobicContact CZ-CD1 4.45Å; L266-L274 HydrophobicContact CD2-CD1 3.71Å; F270-L274 HydrophobicContact CB-CD1 3.91Å; F270-L274 HydrophobicContact CB-CG 4.25Å; F270-L274 HydrophobicContact CD1-CD1 4.49Å; F270-L274 HydrophobicContact CD1-CG 4.36Å; F270-L274 HydrophobicContact CG-CD1 4.48Å; F270-L274 PolarHBondContact O-N 3.27Å; F270-L274 VanDerWaalsContact O-N 3.09Å; L274-Q277 PolarHBondContact O-NE2 2.83Å |
| 275 | G | 87 | Confident | 92.3 | Very high | 48 Ų | 48 | 88.9 Ų | 88.9 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | trans | 55.4 | -157.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T252 | T252-G275 WeakPolarHBondContact CG2-O 3.39Š| ||
| 276 | Q | 92.8 | Very high | 92.6 | Very high | 162 Ų | 162 | 82.4 Ų | 82.4 | 76% | 0.757 | 41% | 0.405 | S | S | * | . | trans | -102.2 | 127 | 169 | -171.4 | 175 | 10.3 | 0 | 0 | 109.2 | ||||
| 277 | Q | 95.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 86.2 Ų | 86.2 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | trans | -129.2 | 133.9 | 177.9 | -54.2 | -64.1 | -31.1 | 0 | 0 | 109.9 | A247 K248 G251 T252 L274 | A247-Q277 VanDerWaalsContact O-CB 3.24Å; A247-Q277 WeakPolarHBondContact O-CB 3.41Å; K248-Q277 HydrophobicContact CG-CG 4.21Å; G251-Q277 VanDerWaalsContact CA-O 3.25Å; G251-Q277 WeakPolarHBondContact CA-O 3.4Å; T252-Q277 HydrophobicContact CG2-CB 3.93Å; T252-Q277 HydrophobicContact CG2-CG 3.92Å; T252-Q277 PolarHBondContact N-O 3.37Å; T252-Q277 PolarHBondContact OG1-N 3.35Å; T252-Q277 PolarHBondContact OG1-O 3.32Å; L274-Q277 PolarHBondContact O-NE2 2.83Å | ||
| 278 | T | 96.8 | Very high | 92.9 | Very high | 112 Ų | 112 | 89.9 Ų | 89.9 | 69% | 0.687 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 143.6 | 171.5 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | K280 | T278-K280 PolarHBondContact O-N 3.36Š|
| 279 | R | 97.9 | Very high | 93.1 | Very high | 78 Ų | 78 | 89.6 Ų | 89.6 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 126.9 | 172.6 | -173.7 | -170.1 | -174.1 | 90.5 | 0.1 | 108.7 | V249 E254 D303 | V249-R279 WeakPolarHBondContact O-CA 3.44Å; E254-R279 WeakPolarHBondContact OE1-CD 3.36Å; E254-R279 IonicContact OE1-CZ 2.67Å; E254-R279 IonicContact OE1-NE 2.99Å; E254-R279 IonicContact OE1-NH1 3.19Å; E254-R279 PolarHBondContact OE1-NH1 3.12Å; E254-R279 IonicContact OE2-CZ 3.86Å; E254-R279 IonicContact OE2-NH1 3.55Å; E254-R279 PolarHBondContact OE2-NH1 3.35Å; R279-D303 IonicContact CZ-OD1 2.73Å; R279-D303 IonicContact NE-OD1 3.59Å; R279-D303 IonicContact NH2-OD1 3.12Å; R279-D303 PolarHBondContact NH2-OD1 3.4Å; R279-D303 IonicContact NH2-OD2 2.74Å |
| 280 | K | 98.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 82.9 Ų | 82.9 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 143.3 | 176.3 | -66.3 | -170.6 | 174.2 | -174 | 0 | 110.3 | K248 V249 T278 F285 | K248-K280 VanDerWaalsContact O-CD 3.29Å; K248-K280 WeakPolarHBondContact O-CD 3.43Å; K248-K280 WeakPolarHBondContact O-CE 3.35Å; V249-K280 PolarHBondContact O-N 2.84Å; T278-K280 PolarHBondContact O-N 3.36Å; K280-F285 HydrophobicContact CB-CE2 4.35Å; K280-F285 HydrophobicContact CB-CZ 4.49Å; K280-F285 HydrophobicContact CD-CZ 4.12Å |
| 281 | R | 98.2 | Very high | 93.9 | Very high | 164 Ų | 164 | 88.3 Ų | 88.3 | 62% | 0.619 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 134.5 | 167.3 | -79 | -170.2 | 67.2 | 179.6 | 4.8 | 109.6 | E283 Q284 | R281-E283 VanDerWaalsContact CB-OE2 3.3Å; R281-E283 WeakPolarHBondContact CB-OE2 3.34Å; R281-E283 IonicContact CZ-OE1 3.83Å; R281-E283 IonicContact CZ-OE2 2.73Å; R281-E283 IonicContact NE-OE1 2.78Å; R281-E283 IonicContact NE-OE2 3.23Å; R281-E283 PolarHBondContact NE-OE2 3.14Å; R281-E283 IonicContact NH2-OE1 3.38Å; R281-E283 PolarHBondContact NH2-OE1 2.85Å; R281-E283 IonicContact NH2-OE2 3.7Å; R281-E283 PolarHBondContact O-N 3.2Å; R281-Q284 HydrophobicContact CB-CG 4.39Å; R281-Q284 WeakPolarHBondContact O-CB 3.12Å; R281-Q284 WeakPolarHBondContact O-CG 3.35Å; R281-Q284 PolarHBondContact O-N 2.92Å |
| 282 | W | 98.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 85.9 Ų | 85.9 | 5% | 0.049 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -61.6 | -27.7 | -178.1 | -67.8 | 118 | 0 | 0 | 0 | 112.8 | F228 F233 V249 L250 Q284 F285 L299 L302 D303 L306 | F228-W282 AromaticContact CE2-CE3 3.97Å; F228-W282 HydrophobicContact CE2-CE3 3.97Å; F228-W282 HydrophobicContact CE2-CZ3 4.45Å; F228-W282 HydrophobicContact CZ-CB 4.31Å; F228-W282 HydrophobicContact CZ-CE3 4.18Å; F233-W282 HydrophobicContact CE1-CH2 4.48Å; F233-W282 AromaticContact CE1-CZ3 3.82Å; F233-W282 HydrophobicContact CE1-CZ3 3.82Å; F233-W282 HydrophobicContact CZ-CE3 4.42Å; F233-W282 AromaticContact CZ-CZ3 3.77Å; F233-W282 HydrophobicContact CZ-CZ3 3.77Å; V249-W282 HydrophobicContact CG1-CE3 4.45Å; V249-W282 HydrophobicContact CG1-CH2 3.82Å; V249-W282 HydrophobicContact CG1-CZ3 3.67Å; L250-W282 HydrophobicContact CD2-CH2 3.98Å; L250-W282 HydrophobicContact CD2-CZ2 3.87Å; W282-Q284 PolarHBondContact O-N 3.22Å; W282-Q284 VanDerWaalsContact O-N 3.1Å; W282-F285 AromaticContact CE3-CD2 3.93Å; W282-F285 HydrophobicContact CE3-CD2 3.93Å; W282-F285 AromaticContact CE3-CE2 3.96Å; W282-F285 HydrophobicContact CE3-CE2 3.96Å; W282-F285 HydrophobicContact CZ3-CD2 4.49Å; W282-F285 HydrophobicContact CZ3-CE2 4.24Å; W282-F285 WeakPolarHBondContact O-CD2 3.37Å; W282-F285 PolarHBondContact O-N 3.44Å; W282-L299 HydrophobicContact CB-CB 4.42Å; W282-L299 HydrophobicContact CB-CD1 4.05Å; W282-L299 HydrophobicContact CB-CD2 3.79Å; W282-L299 HydrophobicContact CB-CG 4.3Å; W282-L302 HydrophobicContact CD2-CD2 4.16Å; W282-L302 HydrophobicContact CE3-CD2 3.96Å; W282-L302 HydrophobicContact CH2-CD2 4.32Å; W282-L302 HydrophobicContact CZ2-CD2 4.49Å; W282-L302 HydrophobicContact CZ2-CG 4.41Å; W282-L302 HydrophobicContact CZ3-CD2 4.05Å; W282-D303 PolarHBondContact NE1-OD1 3.4Å; W282-L306 HydrophobicContact CH2-CB 4.41Å; W282-L306 HydrophobicContact CH2-CD1 3.67Å; W282-L306 HydrophobicContact CZ2-CB 4.31Å; W282-L306 HydrophobicContact CZ2-CD1 4.26Å; W282-L306 HydrophobicContact CZ3-CD1 4.45Å |
| 283 | E | 97.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 78.7 Ų | 78.7 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -59.1 | -21.9 | 176 | -58.6 | 93 | 142.3 | 0 | 0 | 112.8 | R281 F285 V286 L299 | R281-E283 VanDerWaalsContact CB-OE2 3.3Å; R281-E283 WeakPolarHBondContact CB-OE2 3.34Å; R281-E283 IonicContact CZ-OE1 3.83Å; R281-E283 IonicContact CZ-OE2 2.73Å; R281-E283 IonicContact NE-OE1 2.78Å; R281-E283 IonicContact NE-OE2 3.23Å; R281-E283 PolarHBondContact NE-OE2 3.14Å; R281-E283 IonicContact NH2-OE1 3.38Å; R281-E283 PolarHBondContact NH2-OE1 2.85Å; R281-E283 IonicContact NH2-OE2 3.7Å; R281-E283 PolarHBondContact O-N 3.2Å; E283-F285 PolarHBondContact O-N 3.03Å; E283-V286 WeakPolarHBondContact O-CB 3.48Å; E283-V286 PolarHBondContact O-N 2.94Å; E283-L299 HydrophobicContact CG-CD1 4.09Å |
| 284 | Q | 97.8 | Very high | 96.1 | Very high | 122 Ų | 122 | 76 Ų | 76 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -68.4 | -14.9 | 175.3 | -63.6 | -176.5 | 5.6 | 0 | 0 | 113.8 | R281 W282 | R281-Q284 HydrophobicContact CB-CG 4.39Å; R281-Q284 WeakPolarHBondContact O-CB 3.12Å; R281-Q284 WeakPolarHBondContact O-CG 3.35Å; R281-Q284 PolarHBondContact O-N 2.92Å; W282-Q284 PolarHBondContact O-N 3.22Å; W282-Q284 VanDerWaalsContact O-N 3.1Å |
| 285 | F | 98.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -96.9 | -3.9 | 177 | -56.3 | -78.2 | 0 | 0 | 0 | 112.7 | F228 F233 V249 K280 W282 E283 N290 | F228-F285 HydrophobicContact CD1-CB 3.63Å; F228-F285 HydrophobicContact CD2-CB 4.16Å; F228-F285 HydrophobicContact CE1-CB 3.69Å; F228-F285 HydrophobicContact CE2-CB 4.19Å; F228-F285 HydrophobicContact CG-CB 3.88Å; F228-F285 HydrophobicContact CZ-CB 3.97Å; F233-F285 HydrophobicContact CE2-CD1 4.08Å; F233-F285 HydrophobicContact CE2-CE1 4.45Å; F233-F285 HydrophobicContact CE2-CG 4.18Å; F233-F285 HydrophobicContact CZ-CD1 4.06Å; F233-F285 HydrophobicContact CZ-CD2 4.18Å; F233-F285 HydrophobicContact CZ-CE1 4.05Å; F233-F285 HydrophobicContact CZ-CE2 4.19Å; F233-F285 HydrophobicContact CZ-CG 4.13Å; F233-F285 HydrophobicContact CZ-CZ 4.12Å; V249-F285 HydrophobicContact CB-CZ 4.42Å; V249-F285 HydrophobicContact CG1-CE2 3.88Å; V249-F285 HydrophobicContact CG1-CZ 3.82Å; V249-F285 HydrophobicContact CG2-CE1 4.48Å; V249-F285 HydrophobicContact CG2-CZ 3.82Å; K280-F285 HydrophobicContact CB-CE2 4.35Å; K280-F285 HydrophobicContact CB-CZ 4.49Å; K280-F285 HydrophobicContact CD-CZ 4.12Å; W282-F285 AromaticContact CE3-CD2 3.93Å; W282-F285 HydrophobicContact CE3-CD2 3.93Å; W282-F285 AromaticContact CE3-CE2 3.96Å; W282-F285 HydrophobicContact CE3-CE2 3.96Å; W282-F285 HydrophobicContact CZ3-CD2 4.49Å; W282-F285 HydrophobicContact CZ3-CE2 4.24Å; W282-F285 WeakPolarHBondContact O-CD2 3.37Å; W282-F285 PolarHBondContact O-N 3.44Å; E283-F285 PolarHBondContact O-N 3.03Å; F285-N290 PolarHBondContact O-ND2 2.86Å |
| 286 | V | 97.9 | Very high | 97.2 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | trans | -78.4 | 128.1 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | F228 E283 N290 Q291 V294 | F228-V286 HydrophobicContact CE1-CG2 4.24Å; E283-V286 WeakPolarHBondContact O-CB 3.48Å; E283-V286 PolarHBondContact O-N 2.94Å; V286-N290 WeakPolarHBondContact CA-OD1 3.34Å; V286-Q291 HydrophobicContact CG1-CB 3.91Å; V286-V294 HydrophobicContact CG2-CB 4.26Å; V286-V294 HydrophobicContact CG2-CG1 3.8Å; V286-V294 HydrophobicContact CG2-CG2 4.26Å | ||
| 287 | Q | 96.1 | Very high | 97.4 | Very high | 119 Ų | 119 | 75.1 Ų | 75.1 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | trans | -132.1 | 165.6 | -178.9 | -68.8 | -178.6 | 50 | 0 | 0 | 109.3 | D289 N290 Q291 | Q287-D289 WeakPolarHBondContact CB-OD1 3.19Å; Q287-D289 PolarHBondContact O-N 2.87Å; Q287-N290 PolarHBondContact N-OD1 3.16Å; Q287-N290 PolarHBondContact O-N 3.25Å; Q287-N290 PolarHBondContact O-OD1 3.06Å; Q287-Q291 WeakPolarHBondContact O-CB 3.49Å; Q287-Q291 PolarHBondContact O-N 3.17Å | ||
| 288 | T | 96.1 | Very high | 97.6 | Very high | 122 Ų | 122 | 72.6 Ų | 72.6 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.6 | -177.7 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 289 | D | 94.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 68.2 Ų | 68.2 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -35.1 | 180 | 58.2 | -8.2 | 0 | 0 | 0 | 112.8 | Q287 H292 | Q287-D289 WeakPolarHBondContact CB-OD1 3.19Å; Q287-D289 PolarHBondContact O-N 2.87Å; D289-H292 PolarHBondContact O-CE1 3.49Å; D289-H292 PolarHBondContact O-ND1 3.5Å |
| 290 | N | 96.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -10.3 | -174.6 | 73.8 | 24.7 | 0 | 0 | 0 | 115.1 | F228 Q229 F285 V286 Q287 H292 L293 | F228-N290 WeakPolarHBondContact CA-ND2 2.8Å; F228-N290 PolarHBondContact O-ND2 3.02Å; Q229-N290 HydrophobicContact CB-CB 4.37Å; Q229-N290 HydrophobicContact CG-CB 4.16Å; F285-N290 PolarHBondContact O-ND2 2.86Å; V286-N290 WeakPolarHBondContact CA-OD1 3.34Å; Q287-N290 PolarHBondContact N-OD1 3.16Å; Q287-N290 PolarHBondContact O-N 3.25Å; Q287-N290 PolarHBondContact O-OD1 3.06Å; N290-H292 PolarHBondContact O-N 3.02Å; N290-L293 WeakPolarHBondContact O-CB 3.29Å; N290-L293 PolarHBondContact O-N 3.18Å |
| 291 | Q | 97.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 64 Ų | 64 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -55 | -27.7 | -175.1 | 66.3 | -179.8 | -1.8 | 0 | 0 | 114.3 | V286 Q287 L293 V294 | V286-Q291 HydrophobicContact CG1-CB 3.91Å; Q287-Q291 WeakPolarHBondContact O-CB 3.49Å; Q287-Q291 PolarHBondContact O-N 3.17Å; Q291-L293 PolarHBondContact O-N 3.35Å; Q291-V294 PolarHBondContact O-N 3.01Å |
| 292 | H | 97.4 | Very high | 97.8 | Very high | 116 Ų | 116 | 56.2 Ų | 56.2 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -71.9 | -11.4 | 178.9 | 69 | -80.4 | 0 | 0 | 0 | 113.6 | D289 N290 | D289-H292 PolarHBondContact O-CE1 3.49Å; D289-H292 PolarHBondContact O-ND1 3.5Å; N290-H292 PolarHBondContact O-N 3.02Å |
| 293 | L | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -105.8 | -5.2 | 177.1 | -55.4 | 176.8 | 0 | 0 | 0 | 112.6 | D131 I134 Q229 N290 Q291 | D131-L293 HydrophobicContact CB-CD2 4.3Å; I134-L293 HydrophobicContact CD1-CB 4.31Å; I134-L293 HydrophobicContact CD1-CD1 4.05Å; I134-L293 HydrophobicContact CD1-CD2 3.94Å; I134-L293 HydrophobicContact CD1-CG 4.32Å; Q229-L293 HydrophobicContact CG-CD1 3.8Å; N290-L293 WeakPolarHBondContact O-CB 3.29Å; N290-L293 PolarHBondContact O-N 3.18Å; Q291-L293 PolarHBondContact O-N 3.35Å |
| 294 | V | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | trans | -109.9 | 124.6 | -174.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | I227 F228 V286 Q291 L299 | I227-V294 HydrophobicContact CB-CG2 4.31Å; I227-V294 WeakPolarHBondContact O-CG2 3.21Å; F228-V294 HydrophobicContact CD1-CG2 4.12Å; F228-V294 HydrophobicContact CE1-CG2 4.1Å; V286-V294 HydrophobicContact CG2-CB 4.26Å; V286-V294 HydrophobicContact CG2-CG1 3.8Å; V286-V294 HydrophobicContact CG2-CG2 4.26Å; Q291-V294 PolarHBondContact O-N 3.01Å; V294-L299 HydrophobicContact CG1-CD1 3.99Å; V294-L299 HydrophobicContact CG1-CD2 3.57Å; V294-L299 HydrophobicContact CG1-CG 3.73Å | ||
| 295 | S | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | trans | -129.6 | 160.1 | 173.7 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | R135 E297 A298 L299 | R135-S295 PolarHBondContact NH2-OG 3.36Å; S295-E297 WeakPolarHBondContact CB-OE2 3.33Å; S295-E297 PolarHBondContact O-N 3.3Å; S295-A298 WeakPolarHBondContact O-CB 3.43Å; S295-A298 PolarHBondContact O-N 2.68Å; S295-A298 PolarHBondContact OG-N 3.17Å; S295-L299 PolarHBondContact O-N 3.13Å; S295-L299 VanDerWaalsContact O-N 3.08Å | ||
| 296 | P | 98.7 | Very high | 98 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -51.9 | -39.7 | 173.7 | -27.2 | 36.2 | 0 | 0 | 0 | 112.6 | A298 L299 D300 | P296-A298 PolarHBondContact O-N 2.75Å; P296-L299 PolarHBondContact O-N 3.07Å; P296-D300 WeakPolarHBondContact O-CB 3.37Å; P296-D300 PolarHBondContact O-N 3.42Å |
| 297 | E | 98.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.8 | -35.3 | 178 | -60.9 | 73.6 | -161.2 | 0 | 0 | 112.4 | S295 L301 H322 P323 Y324 | S295-E297 WeakPolarHBondContact CB-OE2 3.33Å; S295-E297 PolarHBondContact O-N 3.3Å; E297-L301 WeakPolarHBondContact O-CB 3.35Å; E297-L301 PolarHBondContact O-N 3.08Å; E297-H322 PolarHBondContact O-CE1 2.96Å; E297-H322 VanDerWaalsContact O-CE1 3.3Å; E297-P323 HydrophobicContact CG-CB 4.22Å; E297-Y324 HydrophobicContact CB-CD2 4.14Å |
| 298 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I227 S295 P296 L302 Y324 | I227-A298 HydrophobicContact CD1-CB 4.27Å; S295-A298 WeakPolarHBondContact O-CB 3.43Å; S295-A298 PolarHBondContact O-N 2.68Å; S295-A298 PolarHBondContact OG-N 3.17Å; P296-A298 PolarHBondContact O-N 2.75Å; A298-L302 WeakPolarHBondContact O-CB 3.48Å; A298-L302 PolarHBondContact O-N 3.02Å; A298-Y324 HydrophobicContact CB-CD2 3.84Å; A298-Y324 HydrophobicContact CB-CE2 3.48Å; A298-Y324 VanDerWaalsContact CB-CE2 3.48Å |
| 299 | L | 98.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 179.2 | -61.8 | -170.8 | 0 | 0 | 0 | 111.8 | I227 F228 W282 E283 V294 S295 P296 L302 D303 | I227-L299 HydrophobicContact CD1-CD2 4.22Å; F228-L299 HydrophobicContact CE1-CD2 4.01Å; F228-L299 HydrophobicContact CZ-CD2 3.68Å; W282-L299 HydrophobicContact CB-CB 4.42Å; W282-L299 HydrophobicContact CB-CD1 4.05Å; W282-L299 HydrophobicContact CB-CD2 3.79Å; W282-L299 HydrophobicContact CB-CG 4.3Å; E283-L299 HydrophobicContact CG-CD1 4.09Å; V294-L299 HydrophobicContact CG1-CD1 3.99Å; V294-L299 HydrophobicContact CG1-CD2 3.57Å; V294-L299 HydrophobicContact CG1-CG 3.73Å; S295-L299 PolarHBondContact O-N 3.13Å; S295-L299 VanDerWaalsContact O-N 3.08Å; P296-L299 PolarHBondContact O-N 3.07Å; L299-L302 PolarHBondContact O-N 3.29Å; L299-D303 WeakPolarHBondContact O-CB 3.46Å; L299-D303 PolarHBondContact O-N 2.72Å |
| 300 | D | 98.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.8 | -176 | 49 | 0 | 0 | 0 | 111.9 | P296 L302 D303 K304 H322 | P296-D300 WeakPolarHBondContact O-CB 3.37Å; P296-D300 PolarHBondContact O-N 3.42Å; D300-L302 PolarHBondContact O-N 2.64Å; D300-D303 PolarHBondContact O-N 3.24Å; D300-K304 WeakPolarHBondContact O-CG 3.38Å; D300-K304 PolarHBondContact O-N 3.12Å; D300-K304 WeakPolarHBondContact OD1-CE 3.45Å; D300-K304 IonicContact OD1-NZ 2.74Å; D300-K304 PolarHBondContact OD1-NZ 3.04Å; D300-K304 WeakPolarHBondContact OD2-CE 3.48Å; D300-K304 IonicContact OD2-NZ 3.54Å; D300-K304 PolarHBondContact OD2-NZ 3.33Å; D300-H322 IonicContact OD2-CE1 3.81Å; D300-H322 PolarHBondContact OD2-CE1 2.88Å; D300-H322 IonicContact OD2-NE2 2.93Å; D300-H322 PolarHBondContact OD2-NE2 2.87Å |
| 301 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 172.7 | 177.2 | 60.9 | 0 | 0 | 0 | 111 | L223 E297 D303 K304 L305 L314 A319 H322 Y324 F325 | L223-L301 HydrophobicContact CD2-CD2 3.85Å; L223-L301 HydrophobicContact CD2-CG 4.02Å; E297-L301 WeakPolarHBondContact O-CB 3.35Å; E297-L301 PolarHBondContact O-N 3.08Å; L301-D303 VanDerWaalsContact C-N 3.31Å; L301-D303 PolarHBondContact O-N 3.34Å; L301-K304 PolarHBondContact O-N 3.19Å; L301-L305 HydrophobicContact CD1-CD1 4.14Å; L301-L305 HydrophobicContact CD1-CG 4.33Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 WeakPolarHBondContact O-CG 3.45Å; L301-L305 PolarHBondContact O-N 3.17Å; L301-L305 VanDerWaalsContact O-N 3.11Å; L301-L314 HydrophobicContact CD1-CD1 3.84Å; L301-A319 HydrophobicContact CD1-CB 4.3Å; L301-H322 HydrophobicContact CD1-CB 4Å; L301-H322 PolarHBondContact N-CE1 2.95Å; L301-Y324 HydrophobicContact CD2-CD1 3.42Å; L301-Y324 VanDerWaalsContact CD2-CD1 3.42Å; L301-Y324 HydrophobicContact CD2-CE1 4.15Å; L301-Y324 HydrophobicContact CD2-CG 3.99Å; L301-F325 HydrophobicContact CD1-CE2 4.42Å; L301-F325 HydrophobicContact CD2-CE2 3.57Å; L301-F325 HydrophobicContact CD2-CZ 3.62Å |
| 302 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | -178.5 | -177.9 | 64.3 | 0 | 0 | 0 | 111.7 | G220 L223 A224 I227 F228 W282 A298 L299 D300 K304 L305 L306 | G220-L302 WeakPolarHBondContact O-CD1 3.43Å; L223-L302 HydrophobicContact CB-CD1 4.23Å; L223-L302 HydrophobicContact CD2-CB 4.16Å; L223-L302 HydrophobicContact CD2-CD1 4.2Å; L223-L302 HydrophobicContact CG-CD1 4.33Å; A224-L302 HydrophobicContact CB-CD1 3.88Å; A224-L302 HydrophobicContact CB-CD2 3.9Å; I227-L302 HydrophobicContact CD1-CD2 4.06Å; F228-L302 HydrophobicContact CE2-CD2 3.58Å; F228-L302 HydrophobicContact CZ-CD2 4.16Å; W282-L302 HydrophobicContact CD2-CD2 4.16Å; W282-L302 HydrophobicContact CE3-CD2 3.96Å; W282-L302 HydrophobicContact CH2-CD2 4.32Å; W282-L302 HydrophobicContact CZ2-CD2 4.49Å; W282-L302 HydrophobicContact CZ2-CG 4.41Å; W282-L302 HydrophobicContact CZ3-CD2 4.05Å; A298-L302 WeakPolarHBondContact O-CB 3.48Å; A298-L302 PolarHBondContact O-N 3.02Å; L299-L302 PolarHBondContact O-N 3.29Å; D300-L302 PolarHBondContact O-N 2.64Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 2.67Å; L302-L305 PolarHBondContact O-N 2.93Å; L302-L305 VanDerWaalsContact O-N 3.17Å; L302-L306 HydrophobicContact CD1-CD1 3.61Å; L302-L306 HydrophobicContact CD1-CG 3.88Å; L302-L306 HydrophobicContact CG-CD1 4.06Å; L302-L306 HydrophobicContact CG-CG 4.46Å; L302-L306 PolarHBondContact O-N 2.94Å |
| 303 | D | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -37.9 | 178.5 | -166.4 | 80.6 | 0 | 0 | 0 | 112.4 | R279 W282 L299 D300 L301 R307 | R279-D303 IonicContact CZ-OD1 2.73Å; R279-D303 IonicContact NE-OD1 3.59Å; R279-D303 IonicContact NH2-OD1 3.12Å; R279-D303 PolarHBondContact NH2-OD1 3.4Å; R279-D303 IonicContact NH2-OD2 2.74Å; W282-D303 PolarHBondContact NE1-OD1 3.4Å; L299-D303 WeakPolarHBondContact O-CB 3.46Å; L299-D303 PolarHBondContact O-N 2.72Å; D300-D303 PolarHBondContact O-N 3.24Å; L301-D303 VanDerWaalsContact C-N 3.31Å; L301-D303 PolarHBondContact O-N 3.34Å; D303-R307 WeakPolarHBondContact O-CD 3.33Å; D303-R307 PolarHBondContact O-NE 2.89Å; D303-R307 IonicContact OD2-CZ 3.42Å; D303-R307 IonicContact OD2-NE 3.97Å; D303-R307 PolarHBondContact OD2-NE 2.9Å; D303-R307 IonicContact OD2-NH2 3.85Å; D303-R307 PolarHBondContact OD2-NH2 2.98Å |
| 304 | K | 98.9 | Very high | 98.8 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -79.4 | -15.4 | 178 | -63.1 | 169.7 | -175.3 | 158.8 | 0 | 113.5 | D300 L301 L302 R313 L314 H322 | D300-K304 WeakPolarHBondContact O-CG 3.38Å; D300-K304 PolarHBondContact O-N 3.12Å; D300-K304 WeakPolarHBondContact OD1-CE 3.45Å; D300-K304 IonicContact OD1-NZ 2.74Å; D300-K304 PolarHBondContact OD1-NZ 3.04Å; D300-K304 WeakPolarHBondContact OD2-CE 3.48Å; D300-K304 IonicContact OD2-NZ 3.54Å; D300-K304 PolarHBondContact OD2-NZ 3.33Å; L301-K304 PolarHBondContact O-N 3.19Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 2.67Å; K304-R313 WeakPolarHBondContact O-CA 3.43Å; K304-L314 HydrophobicContact CB-CD1 3.7Å; K304-L314 HydrophobicContact CB-CD2 4.16Å; K304-L314 HydrophobicContact CB-CG 3.67Å; K304-L314 HydrophobicContact CD-CD1 4.12Å; K304-L314 HydrophobicContact CD-CD2 4.29Å; K304-L314 HydrophobicContact CD-CG 4.48Å; K304-L314 PolarHBondContact O-N 3.48Å; K304-H322 PolarHBondContact NZ-NE2 3.08Å; K304-H322 VanDerWaalsContact NZ-NE2 3.17Å |
| 305 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -88.8 | -45.3 | 172.3 | -69.3 | 171.5 | 0 | 0 | 0 | 112.1 | M216 L219 L223 L301 L302 R307 R313 L314 | M216-L305 HydrophobicContact CB-CD2 4.28Å; M216-L305 HydrophobicContact CE-CD2 3.66Å; L219-L305 HydrophobicContact CD2-CD1 4.46Å; L223-L305 HydrophobicContact CD2-CD1 4.21Å; L301-L305 HydrophobicContact CD1-CD1 4.14Å; L301-L305 HydrophobicContact CD1-CG 4.33Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 WeakPolarHBondContact O-CG 3.45Å; L301-L305 PolarHBondContact O-N 3.17Å; L301-L305 VanDerWaalsContact O-N 3.11Å; L302-L305 PolarHBondContact O-N 2.93Å; L302-L305 VanDerWaalsContact O-N 3.17Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.37Å; L305-R313 WeakPolarHBondContact O-CD 3.4Å; L305-R313 WeakPolarHBondContact O-CG 3.42Å; L305-L314 HydrophobicContact CD2-CB 4.32Å |
| 306 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -87.8 | 67.6 | -176.3 | -65.8 | -175 | 0 | 0 | 0 | 112.1 | W217 A224 F234 L250 W282 L302 | W217-L306 HydrophobicContact CD2-CD2 3.9Å; W217-L306 HydrophobicContact CE3-CD2 3.85Å; W217-L306 HydrophobicContact CH2-CD2 4.19Å; W217-L306 HydrophobicContact CZ2-CD2 4.22Å; W217-L306 HydrophobicContact CZ3-CB 4.22Å; W217-L306 HydrophobicContact CZ3-CD2 4.01Å; A224-L306 HydrophobicContact CB-CD1 4.45Å; F234-L306 HydrophobicContact CE2-CD1 3.93Å; F234-L306 HydrophobicContact CE2-CD2 4.42Å; F234-L306 HydrophobicContact CZ-CD1 4.19Å; L250-L306 WeakPolarHBondContact CD1-O 3.5Å; W282-L306 HydrophobicContact CH2-CB 4.41Å; W282-L306 HydrophobicContact CH2-CD1 3.67Å; W282-L306 HydrophobicContact CZ2-CB 4.31Å; W282-L306 HydrophobicContact CZ2-CD1 4.26Å; W282-L306 HydrophobicContact CZ3-CD1 4.45Å; L302-L306 HydrophobicContact CD1-CD1 3.61Å; L302-L306 HydrophobicContact CD1-CG 3.88Å; L302-L306 HydrophobicContact CG-CD1 4.06Å; L302-L306 HydrophobicContact CG-CG 4.46Å; L302-L306 PolarHBondContact O-N 2.94Å |
| 307 | R | 98.9 | Very high | 98.9 | Very high | 63 Ų | 63 | 27.3 Ų | 27.3 | 24% | 0.238 | 13% | 0.133 | C | C | . | . | trans | -109 | 141 | 171.8 | -60.4 | -61.2 | -176.4 | 110.2 | -6.8 | 111.2 | D303 L305 Q312 R313 | D303-R307 WeakPolarHBondContact O-CD 3.33Å; D303-R307 PolarHBondContact O-NE 2.89Å; D303-R307 IonicContact OD2-CZ 3.42Å; D303-R307 IonicContact OD2-NE 3.97Å; D303-R307 PolarHBondContact OD2-NE 2.9Å; D303-R307 IonicContact OD2-NH2 3.85Å; D303-R307 PolarHBondContact OD2-NH2 2.98Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.37Å; R307-Q312 HydrophobicContact CB-CB 4.39Å; R307-Q312 HydrophobicContact CG-CB 4.46Å; R307-R313 HydrophobicContact CB-CG 4.03Å; R307-R313 PolarHBondContact O-NE 2.9Å; R307-R313 PolarHBondContact O-NH2 2.97Å | ||
| 308 | Y | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -59.1 | -54 | 172.1 | -72.5 | -69.6 | 0 | 0 | 0 | 111.3 | P201 I246 A247 L250 G251 E254 L255 H310 R313 | P201-Y308 HydrophobicContact CB-CD1 3.82Å; P201-Y308 HydrophobicContact CB-CE1 4.48Å; P201-Y308 HydrophobicContact CG-CD1 3.67Å; P201-Y308 HydrophobicContact CG-CE1 4.24Å; I246-Y308 HydrophobicContact CG2-CE1 3.6Å; A247-Y308 WeakPolarHBondContact CA-OH 3.35Å; L250-Y308 HydrophobicContact CB-CD2 4.22Å; L250-Y308 HydrophobicContact CB-CE2 3.39Å; L250-Y308 HydrophobicContact CD1-CD2 4.35Å; L250-Y308 HydrophobicContact CD1-CE1 4.44Å; L250-Y308 HydrophobicContact CD1-CE2 4.14Å; L250-Y308 HydrophobicContact CG-CE2 4.42Å; G251-Y308 WeakPolarHBondContact O-CE2 3.35Å; G251-Y308 PolarHBondContact O-OH 3.34Å; E254-Y308 HydrophobicContact CB-CD2 3.72Å; E254-Y308 HydrophobicContact CB-CE2 3.93Å; L255-Y308 HydrophobicContact CB-CD1 4.37Å; L255-Y308 HydrophobicContact CB-CD2 4.35Å; L255-Y308 HydrophobicContact CB-CE1 3.97Å; L255-Y308 HydrophobicContact CB-CE2 3.9Å; L255-Y308 HydrophobicContact CD1-CD1 3.86Å; L255-Y308 HydrophobicContact CD1-CE1 3.8Å; L255-Y308 HydrophobicContact CG-CE1 4.32Å; Y308-H310 PolarHBondContact O-N 3.35Å; Y308-R313 PolarHBondContact O-NH2 2.95Å; Y308-R313 VanDerWaalsContact O-NH2 3.11Å |
| 309 | D | 98.8 | Very high | 98.9 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -67 | 104.7 | 177.5 | -171.2 | -6.7 | 0 | 0 | 0 | 109.9 | Y258 K261 Y262 Q311 Q312 | Y258-D309 HydrophobicContact CD2-CB 4Å; K261-D309 WeakPolarHBondContact CD-OD2 3.13Å; K261-D309 IonicContact NZ-OD1 2.89Å; K261-D309 PolarHBondContact NZ-OD1 3.47Å; K261-D309 IonicContact NZ-OD2 3.33Å; K261-D309 PolarHBondContact NZ-OD2 3.45Å; Y262-D309 VanDerWaalsContact CE2-OD1 3.28Å; Y262-D309 WeakPolarHBondContact CE2-OD1 3.28Å; Y262-D309 PolarHBondContact OH-OD1 2.91Å; D309-Q311 PolarHBondContact O-N 2.95Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.26Å; D309-Q311 PolarHBondContact OD1-N 3.42Å; D309-Q312 HydrophobicContact CB-CB 4.29Å; D309-Q312 HydrophobicContact CB-CG 3.89Å; D309-Q312 WeakPolarHBondContact O-CB 3.5Å; D309-Q312 PolarHBondContact O-N 3.45Å; D309-Q312 PolarHBondContact OD2-NE2 3.18Å |
| 310 | H | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -59.9 | -27.2 | -176.9 | 60.3 | -79.8 | 0 | 0 | 0 | 112.4 | S8 Y207 D211 S213 Y258 Y262 Y308 Q312 R313 | S8-H310 PolarHBondContact OG-NE2 2.94Å; Y207-H310 AromaticContact CD1-CE1 3.96Å; Y207-H310 AromaticContact CE1-CE1 3.48Å; Y207-H310 VanDerWaalsContact CE1-CE1 3.48Å; Y207-H310 WeakPolarHBondContact CE1-CE1 3.43Å; Y207-H310 AromaticContact CE1-NE2 3.84Å; D211-H310 IonicContact OD2-CD2 2.63Å; S213-H310 WeakPolarHBondContact CB-O 3.46Å; S213-H310 WeakPolarHBondContact OG-CB 3.31Å; S213-H310 PolarHBondContact OG-O 2.88Å; Y258-H310 AromaticContact CE2-ND1 3.6Å; Y262-H310 AromaticContact CE1-CE1 3.8Å; Y262-H310 AromaticContact CE2-CE1 3.95Å; Y262-H310 AromaticContact CZ-CE1 3.58Å; Y308-H310 PolarHBondContact O-N 3.35Å; H310-Q312 VanDerWaalsContact C-N 3.28Å; H310-Q312 PolarHBondContact O-N 3.14Å; H310-R313 PolarHBondContact O-N 3.37Å |
| 311 | Q | 98.5 | Very high | 98.8 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 17% | 0.168 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -71.4 | -18.4 | 174.1 | -66 | -72 | -40 | 0 | 0 | 113.7 | S8 K9 R11 D211 Y262 D309 | S8-Q311 PolarHBondContact OG-NE2 2.98Å; K9-Q311 PolarHBondContact O-NE2 3.38Å; K9-Q311 PolarHBondContact O-OE1 3.5Å; R11-Q311 WeakPolarHBondContact CD-O 3.46Å; R11-Q311 PolarHBondContact NE-O 2.91Å; D211-Q311 PolarHBondContact OD2-NE2 2.87Å; D211-Q311 VanDerWaalsContact OD2-NE2 3.11Å; Y262-Q311 WeakPolarHBondContact OH-CB 3.46Å; Y262-Q311 WeakPolarHBondContact OH-CG 3.25Å; D309-Q311 PolarHBondContact O-N 2.95Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.26Å; D309-Q311 PolarHBondContact OD1-N 3.42Å |
| 312 | Q | 98.6 | Very high | 98.8 | Very high | 108 Ų | 108 | 30.2 Ų | 30.2 | 51% | 0.505 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -93.8 | -8.4 | 179.5 | -63.5 | 179.7 | 23 | 0 | 0 | 113.3 | R307 D309 H310 | R307-Q312 HydrophobicContact CB-CB 4.39Å; R307-Q312 HydrophobicContact CG-CB 4.46Å; D309-Q312 HydrophobicContact CB-CB 4.29Å; D309-Q312 HydrophobicContact CB-CG 3.89Å; D309-Q312 WeakPolarHBondContact O-CB 3.5Å; D309-Q312 PolarHBondContact O-N 3.45Å; D309-Q312 PolarHBondContact OD2-NE2 3.18Å; H310-Q312 VanDerWaalsContact C-N 3.28Å; H310-Q312 PolarHBondContact O-N 3.14Å |
| 313 | R | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -71.6 | 143.4 | 177.8 | -57.8 | 179.9 | -166.1 | 145.3 | 8.6 | 109.5 | R11 E202 S213 K304 L305 R307 Y308 H310 | R11-R313 PolarHBondContact NH2-O 2.79Å; E202-R313 IonicContact OE1-CZ 3.67Å; E202-R313 IonicContact OE1-NH1 3.26Å; E202-R313 PolarHBondContact OE1-NH1 3.02Å; E202-R313 IonicContact OE1-NH2 3.62Å; E202-R313 IonicContact OE2-CZ 3.95Å; E202-R313 IonicContact OE2-NH1 2.86Å; E202-R313 PolarHBondContact OE2-NH1 3.3Å; E202-R313 IonicContact OE2-NH2 3.68Å; E202-R313 PolarHBondContact OE2-NH2 2.87Å; S213-R313 WeakPolarHBondContact O-CD 3.47Å; S213-R313 PolarHBondContact O-NH1 2.92Å; K304-R313 WeakPolarHBondContact O-CA 3.43Å; L305-R313 WeakPolarHBondContact O-CD 3.4Å; L305-R313 WeakPolarHBondContact O-CG 3.42Å; R307-R313 HydrophobicContact CB-CG 4.03Å; R307-R313 PolarHBondContact O-NE 2.9Å; R307-R313 PolarHBondContact O-NH2 2.97Å; Y308-R313 PolarHBondContact O-NH2 2.95Å; Y308-R313 VanDerWaalsContact O-NH2 3.11Å; H310-R313 PolarHBondContact O-N 3.37Å |
| 314 | L | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 142 | 170.3 | -60.6 | 178 | 0 | 0 | 0 | 110.6 | M216 L301 K304 L305 E318 A319 | M216-L314 WeakPolarHBondContact CG-O 3.45Å; L301-L314 HydrophobicContact CD1-CD1 3.84Å; K304-L314 HydrophobicContact CB-CD1 3.7Å; K304-L314 HydrophobicContact CB-CD2 4.16Å; K304-L314 HydrophobicContact CB-CG 3.67Å; K304-L314 HydrophobicContact CD-CD1 4.12Å; K304-L314 HydrophobicContact CD-CD2 4.29Å; K304-L314 HydrophobicContact CD-CG 4.48Å; K304-L314 PolarHBondContact O-N 3.48Å; L305-L314 HydrophobicContact CD2-CB 4.32Å; L314-E318 WeakPolarHBondContact CA-OE2 3.44Å; L314-E318 HydrophobicContact CB-CB 4.22Å; L314-E318 HydrophobicContact CD2-CB 4.05Å; L314-A319 HydrophobicContact CB-CB 4.18Å; L314-A319 HydrophobicContact CD1-CB 4.23Å |
| 315 | T | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 167.2 | 162.3 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | V12 T317 E318 A319 | V12-T315 HydrophobicContact CB-CG2 4.32Å; V12-T315 HydrophobicContact CG1-CG2 3.77Å; V12-T315 HydrophobicContact CG2-CG2 3.57Å; T315-T317 VanDerWaalsContact C-N 3.31Å; T315-T317 PolarHBondContact O-N 2.8Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.48Å; T315-E318 PolarHBondContact N-OE2 3.26Å; T315-E318 PolarHBondContact O-N 2.83Å; T315-E318 WeakPolarHBondContact OG1-CB 3.27Å; T315-E318 WeakPolarHBondContact OG1-CG 3.44Å; T315-E318 PolarHBondContact OG1-N 2.94Å; T315-E318 VanDerWaalsContact OG1-N 3.12Å; T315-E318 PolarHBondContact OG1-OE2 2.88Å; T315-A319 VanDerWaalsContact O-CB 3.31Å; T315-A319 WeakPolarHBondContact O-CB 3.41Å; T315-A319 PolarHBondContact O-N 2.85Å |
| 316 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L142 L145 D146 M216 A319 M320 | L142-A316 HydrophobicContact CD2-CB 4.17Å; L145-A316 HydrophobicContact CB-CB 4.14Å; D146-A316 HydrophobicContact CB-CB 3.66Å; M216-A316 HydrophobicContact CE-CB 4.39Å; M216-A316 HydrophobicContact SD-CB 4.01Å; A316-A319 PolarHBondContact O-N 3.39Å; A316-M320 WeakPolarHBondContact O-CG 3.42Å; A316-M320 PolarHBondContact O-N 2.82Å |
| 317 | T | 98.8 | Very high | 98.8 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 28% | 0.276 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.4 | -52.3 | 175.5 | -34.5 | 0 | 0 | 0 | 0 | 112.2 | D146 T315 A319 M320 E321 | D146-T317 PolarHBondContact OD1-OG1 3.24Å; T315-T317 VanDerWaalsContact C-N 3.31Å; T315-T317 PolarHBondContact O-N 2.8Å; T317-A319 PolarHBondContact O-N 2.89Å; T317-M320 WeakPolarHBondContact O-CB 3.46Å; T317-M320 PolarHBondContact O-N 3.3Å; T317-E321 WeakPolarHBondContact O-CG 3.16Å; T317-E321 PolarHBondContact O-N 2.77Å; T317-E321 VanDerWaalsContact O-N 3.11Å |
| 318 | E | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61 | -34.2 | 179.4 | -69.9 | 163.6 | 162.2 | 0 | 0 | 111.6 | R11 L314 T315 E321 H322 | R11-E318 IonicContact CZ-OE1 2.91Å; R11-E318 IonicContact CZ-OE2 4Å; R11-E318 IonicContact NH1-OE1 3.63Å; R11-E318 PolarHBondContact NH1-OE1 3.36Å; R11-E318 IonicContact NH1-OE2 3.31Å; R11-E318 PolarHBondContact NH1-OE2 3.09Å; R11-E318 IonicContact NH2-OE1 2.81Å; R11-E318 IonicContact NH2-OE2 3.08Å; R11-E318 PolarHBondContact NH2-OE2 2.91Å; L314-E318 WeakPolarHBondContact CA-OE2 3.44Å; L314-E318 HydrophobicContact CB-CB 4.22Å; L314-E318 HydrophobicContact CD2-CB 4.05Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.48Å; T315-E318 PolarHBondContact N-OE2 3.26Å; T315-E318 PolarHBondContact O-N 2.83Å; T315-E318 WeakPolarHBondContact OG1-CB 3.27Å; T315-E318 WeakPolarHBondContact OG1-CG 3.44Å; T315-E318 PolarHBondContact OG1-N 2.94Å; T315-E318 VanDerWaalsContact OG1-N 3.12Å; T315-E318 PolarHBondContact OG1-OE2 2.88Å; E318-E321 PolarHBondContact O-N 2.81Å; E318-H322 PolarHBondContact O-N 2.96Å |
| 319 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L142 M216 L301 L314 T315 A316 T317 E321 H322 F325 | L142-A319 HydrophobicContact CD1-CB 3.94Å; L142-A319 HydrophobicContact CD2-CB 3.71Å; M216-A319 HydrophobicContact CE-CB 4.01Å; L301-A319 HydrophobicContact CD1-CB 4.3Å; L314-A319 HydrophobicContact CB-CB 4.18Å; L314-A319 HydrophobicContact CD1-CB 4.23Å; T315-A319 VanDerWaalsContact O-CB 3.31Å; T315-A319 WeakPolarHBondContact O-CB 3.41Å; T315-A319 PolarHBondContact O-N 2.85Å; A316-A319 PolarHBondContact O-N 3.39Å; T317-A319 PolarHBondContact O-N 2.89Å; A319-E321 PolarHBondContact O-N 2.93Å; A319-H322 WeakPolarHBondContact O-CB 3.49Å; A319-H322 PolarHBondContact O-N 3.23Å; A319-H322 VanDerWaalsContact O-N 3.08Å; A319-F325 WeakPolarHBondContact O-CD2 3.49Å; A319-F325 WeakPolarHBondContact O-CE2 3.42Å |
| 320 | M | 98.8 | Very high | 98.4 | Very high | 29 Ų | 29 | 44 Ų | 44 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -30.5 | 175.6 | -73.8 | 176.8 | 66.4 | 0 | 0 | 112.9 | Y139 L142 K143 D146 A316 T317 H322 | Y139-M320 HydrophobicContact CD2-CB 4.32Å; Y139-M320 HydrophobicContact CD2-CE 4.48Å; Y139-M320 HydrophobicContact CD2-CG 4.1Å; Y139-M320 HydrophobicContact CE1-CE 4.1Å; Y139-M320 HydrophobicContact CE2-CB 3.67Å; Y139-M320 HydrophobicContact CE2-CE 3.7Å; Y139-M320 HydrophobicContact CE2-CG 3.79Å; Y139-M320 VanDerWaalsContact CZ-CE 3.44Å; Y139-M320 VanDerWaalsContact OH-CE 3.25Å; Y139-M320 WeakPolarHBondContact OH-CE 3.26Å; L142-M320 HydrophobicContact CB-CG 3.51Å; L142-M320 HydrophobicContact CB-SD 3.98Å; L142-M320 HydrophobicContact CD1-CG 3.95Å; L142-M320 HydrophobicContact CG-CG 4.25Å; K143-M320 HydrophobicContact CG-CE 3.55Å; K143-M320 HydrophobicContact CG-SD 4.23Å; D146-M320 HydrophobicContact CB-SD 4.47Å; A316-M320 WeakPolarHBondContact O-CG 3.42Å; A316-M320 PolarHBondContact O-N 2.82Å; T317-M320 WeakPolarHBondContact O-CB 3.46Å; T317-M320 PolarHBondContact O-N 3.3Å; M320-H322 VanDerWaalsContact C-N 3.25Å; M320-H322 PolarHBondContact O-N 2.96Å |
| 321 | E | 98.8 | Very high | 98.2 | Very high | 127 Ų | 127 | 48.1 Ų | 48.1 | 59% | 0.593 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.3 | 176.5 | -67.1 | 173.3 | 171.2 | 0 | 0 | 113.4 | T317 E318 A319 | T317-E321 WeakPolarHBondContact O-CG 3.16Å; T317-E321 PolarHBondContact O-N 2.77Å; T317-E321 VanDerWaalsContact O-N 3.11Å; E318-E321 PolarHBondContact O-N 2.81Å; A319-E321 PolarHBondContact O-N 2.93Å |
| 322 | H | 98.9 | Very high | 97.8 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -66.2 | 142 | -176.7 | -162.7 | -92.2 | 0 | 0 | 0 | 112.4 | E297 D300 L301 K304 E318 A319 M320 Y324 F325 | E297-H322 PolarHBondContact O-CE1 2.96Å; E297-H322 VanDerWaalsContact O-CE1 3.3Å; D300-H322 IonicContact OD2-CE1 3.81Å; D300-H322 PolarHBondContact OD2-CE1 2.88Å; D300-H322 IonicContact OD2-NE2 2.93Å; D300-H322 PolarHBondContact OD2-NE2 2.87Å; L301-H322 HydrophobicContact CD1-CB 4Å; L301-H322 PolarHBondContact N-CE1 2.95Å; K304-H322 PolarHBondContact NZ-NE2 3.08Å; K304-H322 VanDerWaalsContact NZ-NE2 3.17Å; E318-H322 PolarHBondContact O-N 2.96Å; A319-H322 WeakPolarHBondContact O-CB 3.49Å; A319-H322 PolarHBondContact O-N 3.23Å; A319-H322 VanDerWaalsContact O-N 3.08Å; M320-H322 VanDerWaalsContact C-N 3.25Å; M320-H322 PolarHBondContact O-N 2.96Å; H322-Y324 WeakPolarHBondContact ND1-CB 3.37Å; H322-Y324 PolarHBondContact ND1-N 3.44Å; H322-Y324 PolarHBondContact O-N 3.18Å; H322-F325 HydrophobicContact CB-CD2 4.23Å; H322-F325 PolarHBondContact O-N 3.24Å |
| 323 | P | 98.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -52.8 | -25.2 | 178.2 | -30.7 | 36.4 | 0 | 0 | 0 | 115.7 | E297 F325 Y326 | E297-P323 HydrophobicContact CG-CB 4.22Å; P323-F325 PolarHBondContact O-N 3.14Å; P323-F325 VanDerWaalsContact O-N 3.13Å; P323-Y326 HydrophobicContact CB-CD2 4.3Å; P323-Y326 HydrophobicContact CB-CE2 4.1Å; P323-Y326 HydrophobicContact CG-CE2 4.3Å; P323-Y326 PolarHBondContact O-N 2.88Å; P323-Y326 VanDerWaalsContact O-N 3.16Å |
| 324 | Y | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -54.6 | -30.4 | 174.5 | -175 | -115.7 | 0 | 0 | 0 | 112.7 | R135 L223 E297 A298 L301 H322 | R135-Y324 HydrophobicContact CB-CE1 4.21Å; R135-Y324 WeakPolarHBondContact CD-O 3.26Å; R135-Y324 HydrophobicContact CG-CD1 4.03Å; R135-Y324 HydrophobicContact CG-CD2 4.18Å; R135-Y324 HydrophobicContact CG-CE1 3.5Å; R135-Y324 VanDerWaalsContact CG-CE1 3.5Å; R135-Y324 HydrophobicContact CG-CE2 3.61Å; R135-Y324 HydrophobicContact CG-CG 4.36Å; R135-Y324 WeakPolarHBondContact CG-OH 3.35Å; R135-Y324 VanDerWaalsContact CZ-CE2 3.48Å; R135-Y324 PolarHBondContact NH1-O 3.3Å; L223-Y324 HydrophobicContact CD1-CE1 4.27Å; E297-Y324 HydrophobicContact CB-CD2 4.14Å; A298-Y324 HydrophobicContact CB-CD2 3.84Å; A298-Y324 HydrophobicContact CB-CE2 3.48Å; A298-Y324 VanDerWaalsContact CB-CE2 3.48Å; L301-Y324 HydrophobicContact CD2-CD1 3.42Å; L301-Y324 VanDerWaalsContact CD2-CD1 3.42Å; L301-Y324 HydrophobicContact CD2-CE1 4.15Å; L301-Y324 HydrophobicContact CD2-CG 3.99Å; H322-Y324 WeakPolarHBondContact ND1-CB 3.37Å; H322-Y324 PolarHBondContact ND1-N 3.44Å; H322-Y324 PolarHBondContact O-N 3.18Å |
| 325 | F | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -97.6 | -1 | -177.5 | -59.5 | -66.2 | 0 | 0 | 0 | 114.8 | R135 M138 Y139 L142 L301 A319 H322 P323 P327 V328 L329 | R135-F325 HydrophobicContact CB-CD1 4.48Å; R135-F325 WeakPolarHBondContact O-CD1 3.34Å; R135-F325 VanDerWaalsContact O-CE1 3.27Å; R135-F325 WeakPolarHBondContact O-CE1 3.34Å; M138-F325 HydrophobicContact CB-CE1 3.85Å; M138-F325 HydrophobicContact CB-CZ 4.09Å; Y139-F325 HydrophobicContact CD2-CB 3.79Å; Y139-F325 AromaticContact CD2-CD1 3.84Å; Y139-F325 HydrophobicContact CD2-CD1 3.84Å; Y139-F325 HydrophobicContact CD2-CD2 4.22Å; Y139-F325 HydrophobicContact CD2-CE1 4.47Å; Y139-F325 AromaticContact CD2-CG 3.68Å; Y139-F325 HydrophobicContact CD2-CG 3.68Å; Y139-F325 HydrophobicContact CE2-CB 4.2Å; Y139-F325 HydrophobicContact CE2-CG 4.46Å; Y139-F325 HydrophobicContact CG-CD1 4.22Å; Y139-F325 HydrophobicContact CG-CG 4.48Å; L142-F325 HydrophobicContact CD1-CD2 4.42Å; L142-F325 HydrophobicContact CD1-CE1 4.4Å; L142-F325 HydrophobicContact CD1-CE2 3.53Å; L142-F325 HydrophobicContact CD1-CZ 3.51Å; L301-F325 HydrophobicContact CD1-CE2 4.42Å; L301-F325 HydrophobicContact CD2-CE2 3.57Å; L301-F325 HydrophobicContact CD2-CZ 3.62Å; A319-F325 WeakPolarHBondContact O-CD2 3.49Å; A319-F325 WeakPolarHBondContact O-CE2 3.42Å; H322-F325 HydrophobicContact CB-CD2 4.23Å; H322-F325 PolarHBondContact O-N 3.24Å; P323-F325 PolarHBondContact O-N 3.14Å; P323-F325 VanDerWaalsContact O-N 3.13Å; F325-P327 VanDerWaalsContact C-CD 3.45Å; F325-P327 VanDerWaalsContact C-N 3.33Å; F325-V328 WeakPolarHBondContact O-CB 3.23Å; F325-V328 PolarHBondContact O-N 3.06Å; F325-L329 PolarHBondContact O-N 3.43Å |
| 326 | Y | 98.4 | Very high | 94.1 | Very high | 137 Ų | 137 | 57.8 Ų | 57.8 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.2 | -39.2 | 178.2 | -70.7 | 1 | 0 | 0 | 0 | 114 | P323 V328 L329 K330 | P323-Y326 HydrophobicContact CB-CD2 4.3Å; P323-Y326 HydrophobicContact CB-CE2 4.1Å; P323-Y326 HydrophobicContact CG-CE2 4.3Å; P323-Y326 PolarHBondContact O-N 2.88Å; P323-Y326 VanDerWaalsContact O-N 3.16Å; Y326-V328 VanDerWaalsContact C-N 3.32Å; Y326-V328 PolarHBondContact O-N 3.33Å; Y326-L329 HydrophobicContact CD1-CD1 4.25Å; Y326-L329 PolarHBondContact O-N 2.9Å; Y326-K330 WeakPolarHBondContact O-CB 3.46Å; Y326-K330 PolarHBondContact O-N 3.21Å |
| 327 | P | 98.3 | Very high | 92.5 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 173.6 | -25.3 | 36 | 0 | 0 | 0 | 113.2 | F132 F325 K330 E331 | F132-P327 HydrophobicContact CD2-CB 4.41Å; F132-P327 HydrophobicContact CE2-CB 4.28Å; F325-P327 VanDerWaalsContact C-CD 3.45Å; F325-P327 VanDerWaalsContact C-N 3.33Å; P327-K330 PolarHBondContact O-N 2.82Å; P327-E331 PolarHBondContact O-N 2.97Å; P327-E331 VanDerWaalsContact O-N 3.08Å |
| 328 | V | 97.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 179.6 | 179 | 0 | 0 | 0 | 0 | 110.7 | F132 R135 F136 Y139 F325 Y326 K330 E331 Q332 | F132-V328 HydrophobicContact CE2-CG2 4.01Å; F132-V328 HydrophobicContact CZ-CG2 4.3Å; R135-V328 HydrophobicContact CB-CG2 3.6Å; F136-V328 HydrophobicContact CB-CG2 4.4Å; F136-V328 HydrophobicContact CD2-CG1 4.13Å; Y139-V328 HydrophobicContact CD1-CG1 3.84Å; Y139-V328 HydrophobicContact CG-CG1 4.11Å; F325-V328 WeakPolarHBondContact O-CB 3.23Å; F325-V328 PolarHBondContact O-N 3.06Å; Y326-V328 VanDerWaalsContact C-N 3.32Å; Y326-V328 PolarHBondContact O-N 3.33Å; V328-K330 VanDerWaalsContact C-N 3.32Å; V328-K330 PolarHBondContact O-N 3.06Å; V328-E331 PolarHBondContact O-N 3.16Å; V328-Q332 HydrophobicContact CG1-CG 4.45Å; V328-Q332 WeakPolarHBondContact O-CG 3.44Å; V328-Q332 PolarHBondContact O-N 2.81Å |
| 329 | L | 95.6 | Very high | 88.6 | Confident | 65 Ų | 65 | 63 Ų | 63 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 176.5 | -72.7 | 173.5 | 0 | 0 | 0 | 111.8 | Y139 F325 Y326 Q332 S333 | Y139-L329 HydrophobicContact CE1-CD2 4.21Å; Y139-L329 HydrophobicContact CE2-CD2 4.2Å; Y139-L329 WeakPolarHBondContact OH-CD2 3.4Å; F325-L329 PolarHBondContact O-N 3.43Å; Y326-L329 HydrophobicContact CD1-CD1 4.25Å; Y326-L329 PolarHBondContact O-N 2.9Å; L329-Q332 PolarHBondContact O-N 2.83Å; L329-S333 WeakPolarHBondContact O-CB 3.47Å; L329-S333 PolarHBondContact O-N 2.97Å |
| 330 | K | 95.7 | Very high | 86.4 | Confident | 147 Ų | 147 | 68.4 Ų | 68.4 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 176.7 | -172.1 | 178.4 | 179.2 | -177 | 0 | 111 | Y326 P327 V328 S333 L334 | Y326-K330 WeakPolarHBondContact O-CB 3.46Å; Y326-K330 PolarHBondContact O-N 3.21Å; P327-K330 PolarHBondContact O-N 2.82Å; V328-K330 VanDerWaalsContact C-N 3.32Å; V328-K330 PolarHBondContact O-N 3.06Å; K330-S333 PolarHBondContact O-N 3.22Å; K330-S333 PolarHBondContact O-OG 3.37Å; K330-L334 HydrophobicContact CG-CD1 4.47Å; K330-L334 WeakPolarHBondContact O-CG 3.41Å; K330-L334 PolarHBondContact O-N 2.62Å |
| 331 | E | 94.1 | Very high | 84.1 | Confident | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 178.4 | -171.4 | 167.4 | 148.9 | 0 | 0 | 112.3 | F132 P327 V328 S333 L334 S335 | F132-E331 VanDerWaalsContact CE1-OE2 3.28Å; F132-E331 WeakPolarHBondContact CE1-OE2 3.35Å; F132-E331 WeakPolarHBondContact CE2-OE2 3.43Å; F132-E331 HydrophobicContact CZ-CB 4.24Å; F132-E331 HydrophobicContact CZ-CG 4.45Å; F132-E331 WeakPolarHBondContact CZ-OE2 3.44Å; P327-E331 PolarHBondContact O-N 2.97Å; P327-E331 VanDerWaalsContact O-N 3.08Å; V328-E331 PolarHBondContact O-N 3.16Å; E331-S333 VanDerWaalsContact C-N 3.26Å; E331-S333 PolarHBondContact O-N 3.49Å; E331-L334 PolarHBondContact O-N 2.97Å; E331-L334 VanDerWaalsContact O-N 3.15Å; E331-S335 PolarHBondContact O-N 2.91Å; E331-S335 PolarHBondContact O-OG 2.92Å; E331-S335 VanDerWaalsContact O-OG 3.12Å |
| 332 | Q | 89.9 | Confident | 81.8 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -35.4 | 177.4 | -70.9 | -175.1 | 2.7 | 0 | 0 | 112.3 | E140 V328 L329 N336 | E140-Q332 PolarHBondContact OE1-NE2 3.16Å; V328-Q332 HydrophobicContact CG1-CG 4.45Å; V328-Q332 WeakPolarHBondContact O-CG 3.44Å; V328-Q332 PolarHBondContact O-N 2.81Å; L329-Q332 PolarHBondContact O-N 2.83Å; Q332-N336 PolarHBondContact O-N 2.86Å; Q332-N336 PolarHBondContact O-ND2 3.32Å |
| 333 | S | 87.6 | Confident | 79.5 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 176.5 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | L329 K330 E331 N336 V337 | L329-S333 WeakPolarHBondContact O-CB 3.47Å; L329-S333 PolarHBondContact O-N 2.97Å; K330-S333 PolarHBondContact O-N 3.22Å; K330-S333 PolarHBondContact O-OG 3.37Å; E331-S333 VanDerWaalsContact C-N 3.26Å; E331-S333 PolarHBondContact O-N 3.49Å; S333-N336 PolarHBondContact O-N 2.69Å; S333-V337 WeakPolarHBondContact O-CG2 3.5Å; S333-V337 PolarHBondContact O-N 2.64Å |
| 334 | L | 83.3 | Confident | 77.1 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 52% | 0.518 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 178.3 | -69 | 168.1 | 0 | 0 | 0 | 111 | K330 E331 N336 V337 D338 | K330-L334 HydrophobicContact CG-CD1 4.47Å; K330-L334 WeakPolarHBondContact O-CG 3.41Å; K330-L334 PolarHBondContact O-N 2.62Å; E331-L334 PolarHBondContact O-N 2.97Å; E331-L334 VanDerWaalsContact O-N 3.15Å; L334-N336 VanDerWaalsContact C-N 3.26Å; L334-N336 PolarHBondContact O-N 3.08Å; L334-V337 PolarHBondContact O-N 2.99Å; L334-V337 VanDerWaalsContact O-N 3.11Å; L334-D338 PolarHBondContact O-N 3.18Å; L334-D338 VanDerWaalsContact O-N 3.11Å |
| 335 | S | 77.2 | Confident | 74.5 | Confident | 69 Ų | 69 | 80.6 Ų | 80.6 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | 178 | -51.1 | 0 | 0 | 0 | 0 | 113.1 | E331 G339 | E331-S335 PolarHBondContact O-N 2.91Å; E331-S335 PolarHBondContact O-OG 2.92Å; E331-S335 VanDerWaalsContact O-OG 3.12Å; S335-G339 PolarHBondContact O-N 2.99Å |
| 336 | N | 69.8 | Low | 71.9 | Confident | 113 Ų | 113 | 85.3 Ų | 85.3 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.8 | -31.6 | 177 | -75.6 | -19.5 | 0 | 0 | 0 | 112.8 | Q332 S333 L334 N340 | Q332-N336 PolarHBondContact O-N 2.86Å; Q332-N336 PolarHBondContact O-ND2 3.32Å; S333-N336 PolarHBondContact O-N 2.69Å; L334-N336 VanDerWaalsContact C-N 3.26Å; L334-N336 PolarHBondContact O-N 3.08Å; N336-N340 WeakPolarHBondContact O-CB 3.16Å; N336-N340 PolarHBondContact O-N 3.45Å |
| 337 | V | 66.5 | Low | 69.5 | Low | 76 Ų | 76 | 84.3 Ų | 84.3 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | S333 L334 N340 M341 | S333-V337 WeakPolarHBondContact O-CG2 3.5Å; S333-V337 PolarHBondContact O-N 2.64Å; L334-V337 PolarHBondContact O-N 2.99Å; L334-V337 VanDerWaalsContact O-N 3.11Å; V337-N340 PolarHBondContact O-N 2.89Å; V337-M341 HydrophobicContact CG1-CE 4Å; V337-M341 PolarHBondContact O-N 2.93Å |
| 338 | D | 59.9 | Low | 66.8 | Low | 102 Ų | 102 | 88.6 Ų | 88.6 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 178.2 | -69.3 | -26.3 | 0 | 0 | 0 | 111.9 | L334 N340 M341 V342 | L334-D338 PolarHBondContact O-N 3.18Å; L334-D338 VanDerWaalsContact O-N 3.11Å; D338-N340 VanDerWaalsContact C-N 3.34Å; D338-N340 PolarHBondContact O-N 3.3Å; D338-M341 PolarHBondContact O-N 2.94Å; D338-V342 VanDerWaalsContact O-CG2 3.23Å; D338-V342 WeakPolarHBondContact O-CG2 3.28Å; D338-V342 PolarHBondContact O-N 2.88Å; D338-V342 VanDerWaalsContact O-N 3.12Å |
| 339 | G | 55.8 | Low | 63.9 | Low | 41 Ų | 41 | 93.4 Ų | 93.4 | 42% | 0.423 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.8 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S335 S343 | S335-G339 PolarHBondContact O-N 2.99Å; G339-S343 PolarHBondContact O-N 3.14Å; G339-S343 VanDerWaalsContact O-N 3.12Å |
| 340 | N | 51.7 | Low | 61.3 | Low | 115 Ų | 115 | 105.7 Ų | 105.7 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.3 | -38.6 | 176.3 | -81.3 | -16.1 | 0 | 0 | 0 | 112.3 | N336 V337 D338 V342 S343 S344 | N336-N340 WeakPolarHBondContact O-CB 3.16Å; N336-N340 PolarHBondContact O-N 3.45Å; V337-N340 PolarHBondContact O-N 2.89Å; D338-N340 VanDerWaalsContact C-N 3.34Å; D338-N340 PolarHBondContact O-N 3.3Å; N340-V342 PolarHBondContact O-N 3.41Å; N340-S343 PolarHBondContact O-N 2.93Å; N340-S343 PolarHBondContact O-OG 3.46Å; N340-S344 PolarHBondContact O-N 3.38Å; N340-S344 VanDerWaalsContact O-N 3.1Å; N340-S344 PolarHBondContact O-OG 3.47Å |
| 341 | M | 51.4 | Low | 59.6 | Low | 125 Ų | 125 | 103.7 Ų | 103.7 | 62% | 0.616 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.7 | -40.4 | 175 | -74.1 | -167.9 | -171.1 | 0 | 0 | 112.3 | V337 D338 S344 G345 | V337-M341 HydrophobicContact CG1-CE 4Å; V337-M341 PolarHBondContact O-N 2.93Å; D338-M341 PolarHBondContact O-N 2.94Å; M341-S344 WeakPolarHBondContact CA-OG 3.22Å; M341-S344 PolarHBondContact O-N 2.82Å; M341-S344 PolarHBondContact O-OG 2.82Å; M341-G345 PolarHBondContact O-N 3.39Å |
| 342 | V | 50.8 | Low | 57.8 | Low | 115 Ų | 115 | 104.4 Ų | 104.4 | 70% | 0.697 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.6 | -36.3 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | D338 N340 S344 G345 | D338-V342 VanDerWaalsContact O-CG2 3.23Å; D338-V342 WeakPolarHBondContact O-CG2 3.28Å; D338-V342 PolarHBondContact O-N 2.88Å; D338-V342 VanDerWaalsContact O-N 3.12Å; N340-V342 PolarHBondContact O-N 3.41Å; V342-S344 VanDerWaalsContact C-N 3.33Å; V342-S344 PolarHBondContact O-N 2.71Å; V342-G345 PolarHBondContact O-N 2.8Å |
| 343 | S | 49.4 | Very low | 56 | Low | 76 Ų | 76 | 107.7 Ų | 107.7 | 53% | 0.531 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.6 | -27.5 | 176 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | G339 N340 G345 | G339-S343 PolarHBondContact O-N 3.14Å; G339-S343 VanDerWaalsContact O-N 3.12Å; N340-S343 PolarHBondContact O-N 2.93Å; N340-S343 PolarHBondContact O-OG 3.46Å; S343-G345 VanDerWaalsContact C-N 3.35Å |
| 344 | S | 49.1 | Very low | 54.2 | Low | 93 Ų | 93 | 110.3 Ų | 110.3 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -5.1 | 177.4 | 62.4 | 0 | 0 | 0 | 0 | 114.6 | N340 M341 V342 | N340-S344 PolarHBondContact O-N 3.38Å; N340-S344 VanDerWaalsContact O-N 3.1Å; N340-S344 PolarHBondContact O-OG 3.47Å; M341-S344 WeakPolarHBondContact CA-OG 3.22Å; M341-S344 PolarHBondContact O-N 2.82Å; M341-S344 PolarHBondContact O-OG 2.82Å; V342-S344 VanDerWaalsContact C-N 3.33Å; V342-S344 PolarHBondContact O-N 2.71Å |
| 345 | G | 43.9 | Very low | 52.4 | Low | 67 Ų | 67 | 111 Ų | 111 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -2.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | M341 V342 S343 | M341-G345 PolarHBondContact O-N 3.39Å; V342-G345 PolarHBondContact O-N 2.8Å; S343-G345 VanDerWaalsContact C-N 3.35Å |
| 346 | S | 44.2 | Very low | 50.7 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -105 | 21.3 | -171.8 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 347 | T | 47.6 | Very low | 49.3 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | trans | -127.5 | 64.4 | 178 | -31.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 348 | T | 41.2 | Very low | 48 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -178.4 | 110.9 | 146.9 | 32 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 349 | A | 38 | Very low | 47 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | -174.6 | 126.2 | 121.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 350 | R | 41.4 | Very low | 46.2 | Very low | 323 Ų | 323 | 125 Ų | 125 | 100% | 1.219 | 74% | 0.741 | S | S | * | * | trans | -72.7 | 0 | 173.1 | -81.3 | 177.7 | 170.5 | 175.4 | -3.5 | 111.8 |
Retrieved 350 of 350 residues in 1464.8 ms
(Link to these results)