| 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 | 36.5 | Very low | 72.9 | Confident | 210 Ų | 210 | 69.4 Ų | 69.4 | 100% | 1.034 | 35% | 0.345 | S | S | * | . | 0 | -16.5 | 0 | -66.6 | -126 | -84.9 | 0 | 0 | 113.9 | |||||
| 2 | S | 47.2 | Very low | 73.8 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | trans | -91.5 | -22.9 | 177 | 46.9 | 0 | 0 | 0 | 0 | 115.2 | E4 | S2-E4 PolarHBondContact O-N 3.07Š| ||
| 3 | E | 51.1 | Low | 74.6 | Confident | 134 Ų | 134 | 81.3 Ų | 81.3 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -76.6 | -19.8 | -174.9 | -68.2 | -177.1 | 164.3 | 0 | 0 | 114.3 | H5 | E3-H5 PolarHBondContact O-N 2.78Å; E3-H5 VanDerWaalsContact O-N 3.08Å |
| 4 | E | 57.6 | Low | 75.4 | Confident | 121 Ų | 121 | 77.4 Ų | 77.4 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -73.9 | 1.8 | -174.5 | -66.3 | -178.5 | 179.4 | 0 | 0 | 114.8 | S2 P364 | S2-E4 PolarHBondContact O-N 3.07Å; E4-P364 WeakPolarHBondContact O-CB 3.39Å |
| 5 | H | 72.5 | Confident | 76.2 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -100.4 | -12.4 | -173.1 | -66 | 79 | 0 | 0 | 0 | 114.2 | E3 | E3-H5 PolarHBondContact O-N 2.78Å; E3-H5 VanDerWaalsContact O-N 3.08Å |
| 6 | Y | 85.4 | Confident | 76.9 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | trans | -111.5 | 121.3 | -172.8 | -56.9 | -81.8 | 0 | 0 | 0 | 111.1 | S310 H312 P364 | Y6-S310 WeakPolarHBondContact CD1-O 3.23Å; Y6-H312 AromaticContact CD2-CD2 3.65Å; Y6-H312 HydrophobicContact CG-CB 4.22Å; Y6-H312 AromaticContact CG-CD2 3.98Å; Y6-P364 WeakPolarHBondContact O-CG 3.24Å | ||
| 7 | Y | 88.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | trans | -101.2 | -1.1 | 179.8 | 56 | -104.7 | 0 | 0 | 0 | 113.7 | S285 I287 L306 P307 R309 V360 K361 L368 | Y7-S285 PolarHBondContact OH-O 2.77Å; Y7-I287 HydrophobicContact CD2-CD1 3.32Å; Y7-I287 HydrophobicContact CD2-CG1 4.23Å; Y7-I287 HydrophobicContact CE2-CD1 3.27Å; Y7-I287 HydrophobicContact CE2-CG1 3.65Å; Y7-L306 HydrophobicContact CD1-CB 4.33Å; Y7-L306 HydrophobicContact CD1-CD1 3.84Å; Y7-L306 HydrophobicContact CD2-CD1 3.92Å; Y7-L306 HydrophobicContact CE1-CB 3.85Å; Y7-L306 HydrophobicContact CE1-CD1 4.14Å; Y7-L306 HydrophobicContact CE2-CD1 4.32Å; Y7-L306 HydrophobicContact CG-CD1 3.69Å; Y7-P307 WeakPolarHBondContact CE1-O 3.46Å; Y7-P307 PolarHBondContact OH-O 3.13Å; Y7-R309 HydrophobicContact CD1-CB 4.19Å; Y7-R309 HydrophobicContact CD1-CG 4.07Å; Y7-R309 HydrophobicContact CE1-CB 3.51Å; Y7-R309 HydrophobicContact CE1-CG 3.43Å; Y7-R309 VanDerWaalsContact CE1-CG 3.43Å; Y7-R309 PolarHBondContact OH-N 3.43Å; Y7-V360 CarbonylContact O-C 3.59Å; Y7-V360 WeakPolarHBondContact O-CA 3.44Å; Y7-K361 PolarHBondContact O-N 3.44Å; Y7-L368 HydrophobicContact CD1-CD1 3.6Å; Y7-L368 HydrophobicContact CE1-CD1 4.25Å | ||
| 8 | L | 91.8 | Very high | 77.9 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.2 | 173 | -73.1 | 169.7 | 0 | 0 | 0 | 109.2 | V276 S285 I287 I311 H312 L358 Q359 V360 | L8-V276 HydrophobicContact CD1-CG1 3.67Å; L8-V276 HydrophobicContact CD2-CG2 4.37Å; L8-S285 VanDerWaalsContact CD1-CB 3.49Å; L8-I287 HydrophobicContact CD1-CD1 4.31Å; L8-I287 HydrophobicContact CD1-CG1 4.42Å; L8-I287 HydrophobicContact CD2-CD1 3.95Å; L8-I287 HydrophobicContact CG-CD1 4.07Å; L8-I311 HydrophobicContact CB-CG1 4.17Å; L8-I311 HydrophobicContact CD1-CG1 4.45Å; L8-H312 VanDerWaalsContact O-CB 3.3Å; L8-H312 WeakPolarHBondContact O-CB 3.38Å; L8-H312 PolarHBondContact O-N 3.26Å; L8-L358 HydrophobicContact CB-CD1 4.32Å; L8-L358 HydrophobicContact CD2-CD1 4.34Å; L8-L358 HydrophobicContact CD2-CD2 4.36Å; L8-L358 HydrophobicContact CD2-CG 4.26Å; L8-Q359 WeakPolarHBondContact CA-O 3.41Å; L8-V360 HydrophobicContact CD2-CG2 3.93Å |
| 9 | E | 92 | Very high | 78.2 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.8 | 173.2 | 74.4 | -178.7 | 138.8 | 0 | 0 | 111.9 | H312 Q359 K361 | E9-H312 HydrophobicContact CB-CB 4.01Å; E9-Q359 HydrophobicContact CG-CB 4Å; E9-Q359 PolarHBondContact N-O 2.95Å; E9-Q359 PolarHBondContact O-N 3.37Å; E9-K361 HydrophobicContact CG-CG 4.3Å; E9-K361 WeakPolarHBondContact OE1-CE 2.97Å; E9-K361 WeakPolarHBondContact OE1-CG 3.37Å; E9-K361 IonicContact OE1-NZ 2.67Å; E9-K361 WeakPolarHBondContact OE2-CE 3.2Å; E9-K361 IonicContact OE2-NZ 3.88Å; E9-K361 PolarHBondContact OE2-NZ 2.91Å |
| 10 | L | 90.9 | Very high | 78.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 144.3 | 165.3 | -57.5 | -179.5 | 0 | 0 | 0 | 108.5 | I311 Y314 L334 I347 W356 L358 | L10-I311 HydrophobicContact CD2-CG2 4.2Å; L10-I311 HydrophobicContact CG-CG2 3.98Å; L10-Y314 HydrophobicContact CB-CD2 3.91Å; L10-Y314 HydrophobicContact CB-CE2 4.47Å; L10-Y314 HydrophobicContact CB-CG 4.32Å; L10-Y314 HydrophobicContact CD1-CG 4.19Å; L10-L334 HydrophobicContact CD1-CD2 4.04Å; L10-I347 HydrophobicContact CD2-CD1 3.99Å; L10-W356 HydrophobicContact CB-CB 4.06Å; L10-W356 HydrophobicContact CB-CG 4.01Å; L10-W356 HydrophobicContact CD1-CB 4.3Å; L10-W356 HydrophobicContact CD1-CD2 3.96Å; L10-W356 HydrophobicContact CD1-CG 3.84Å; L10-W356 HydrophobicContact CD2-CB 3.96Å; L10-W356 HydrophobicContact CD2-CG 4.39Å; L10-W356 HydrophobicContact CG-CB 4.32Å; L10-W356 HydrophobicContact CG-CG 4.29Å; L10-L358 HydrophobicContact CD2-CD1 4.14Å |
| 11 | C | 89.1 | Confident | 78.7 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | trans | -53.2 | 143.1 | 177.9 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | N13 Y314 Y357 | C11-N13 VanDerWaalsContact C-N 3.3Å; C11-N13 PolarHBondContact O-N 3.01Å; C11-Y314 WeakPolarHBondContact O-CE2 3.48Å; C11-Y357 PolarHBondContact N-O 3.39Å; C11-Y357 PolarHBondContact SG-N 3.43Å | ||
| 12 | E | 83.6 | Confident | 80.7 | Confident | 151 Ų | 151 | 63.7 Ų | 63.7 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -61.2 | -38.4 | -177.8 | -64.8 | -173.4 | 162.2 | 0 | 0 | 112.7 | P14 Y314 | E12-P14 WeakPolarHBondContact O-CD 3.42Å; E12-Y314 PolarHBondContact O-OH 3.2Å |
| 13 | N | 83.9 | Confident | 82.3 | Confident | 143 Ų | 143 | 63 Ų | 63 | 77% | 0.765 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -108.6 | 91.2 | -177.8 | -61.7 | -42.6 | 0 | 0 | 0 | 111.1 | C11 | C11-N13 VanDerWaalsContact C-N 3.3Å; C11-N13 PolarHBondContact O-N 3.01Å |
| 14 | P | 86.4 | Confident | 83.8 | Confident | 27 Ų | 27 | 57 Ų | 57 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | trans | -77.9 | 155.6 | 177.7 | 30.7 | -35.2 | 0 | 0 | 0 | 112.1 | E12 Q16 Y314 Y354 Q355 W356 | E12-P14 WeakPolarHBondContact O-CD 3.42Å; P14-Q16 PolarHBondContact O-N 3.39Å; P14-Y314 WeakPolarHBondContact CD-OH 3.45Å; P14-Y314 WeakPolarHBondContact CG-OH 3.2Å; P14-Y354 HydrophobicContact CB-CD1 4.26Å; P14-Y354 HydrophobicContact CG-CD1 4.02Å; P14-Q355 WeakPolarHBondContact CA-O 3.35Å; P14-Q355 WeakPolarHBondContact CB-O 3.46Å; P14-W356 HydrophobicContact CB-CG 4.2Å | ||
| 15 | V | 86.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 106.4 | 169.3 | -179 | 0 | 0 | 0 | 0 | 108 | K49 G50 Q355 | V15-K49 HydrophobicContact CG1-CB 3.71Å; V15-G50 WeakPolarHBondContact CG2-O 3.47Å; V15-Q355 HydrophobicContact CB-CB 4.15Å; V15-Q355 HydrophobicContact CB-CG 4.5Å; V15-Q355 PolarHBondContact N-O 3.4Å; V15-Q355 PolarHBondContact O-N 3.48Å |
| 16 | Q | 87.2 | Confident | 86 | Confident | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.7 | 176.3 | -173.6 | -174.7 | 17.1 | 0 | 0 | 110 | P14 K49 T319 G353 Y354 | P14-Q16 PolarHBondContact O-N 3.39Å; Q16-K49 WeakPolarHBondContact O-CD 3.49Å; Q16-K49 VanDerWaalsContact O-CE 3.3Å; Q16-K49 WeakPolarHBondContact O-CE 3.32Å; Q16-K49 PolarHBondContact O-NZ 2.89Å; Q16-T319 PolarHBondContact NE2-O 3.47Å; Q16-T319 PolarHBondContact OE1-O 3Å; Q16-T319 PolarHBondContact OE1-OG1 2.96Å; Q16-G353 CarbonylContact C-O 3.55Å; Q16-G353 WeakPolarHBondContact CA-O 3.44Å; Q16-Y354 HydrophobicContact CB-CD1 4.15Å; Q16-Y354 HydrophobicContact CB-CE1 3.95Å; Q16-Y354 HydrophobicContact CG-CD1 4.19Å; Q16-Y354 HydrophobicContact CG-CE1 3.66Å; Q16-Y354 PolarHBondContact NE2-OH 2.76Å |
| 17 | F | 87.3 | Confident | 86.3 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | trans | -129.4 | 172.7 | 176.5 | 60.4 | -92.2 | 0 | 0 | 0 | 111 | N19 V26 V35 K49 I348 G353 Y354 Q355 | F17-N19 PolarHBondContact O-N 3.01Å; F17-V26 HydrophobicContact CD2-CG1 4.11Å; F17-V26 HydrophobicContact CD2-CG2 4.21Å; F17-V26 HydrophobicContact CE2-CB 4.36Å; F17-V26 HydrophobicContact CE2-CG1 3.56Å; F17-V26 HydrophobicContact CE2-CG2 3.89Å; F17-V26 HydrophobicContact CZ-CG1 4.13Å; F17-V35 HydrophobicContact CB-CG1 4.39Å; F17-V35 HydrophobicContact CD1-CB 4.12Å; F17-V35 HydrophobicContact CD1-CG1 3.82Å; F17-V35 HydrophobicContact CD1-CG2 4.03Å; F17-V35 HydrophobicContact CD2-CG1 3.84Å; F17-V35 HydrophobicContact CE1-CB 4.49Å; F17-V35 HydrophobicContact CE1-CG1 3.99Å; F17-V35 HydrophobicContact CE1-CG2 4.08Å; F17-V35 HydrophobicContact CE2-CG1 4.05Å; F17-V35 HydrophobicContact CG-CB 4.32Å; F17-V35 HydrophobicContact CG-CG1 3.75Å; F17-V35 HydrophobicContact CZ-CG1 4.13Å; F17-K49 HydrophobicContact CB-CD 4.21Å; F17-I348 HydrophobicContact CE1-CG2 4.03Å; F17-I348 HydrophobicContact CZ-CG2 3.74Å; F17-G353 PolarHBondContact N-O 2.9Å; F17-G353 WeakPolarHBondContact O-CA 3.41Å; F17-G353 VanDerWaalsContact O-O 3.12Å; F17-Y354 VanDerWaalsContact CE1-C 3.43Å; F17-Q355 HydrophobicContact CE1-CB 4.14Å | ||
| 18 | E | 84.4 | Confident | 86.4 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 126 | 179.9 | -59.3 | -175.9 | 172.4 | 0 | 0 | 110.4 | N24 A37 R39 | E18-N24 PolarHBondContact O-ND2 2.98Å; E18-A37 HydrophobicContact CB-CB 4.06Å; E18-R39 IonicContact OE1-CZ 2.67Å; E18-R39 VanDerWaalsContact OE1-CZ 3.29Å; E18-R39 IonicContact OE1-NE 2.73Å; E18-R39 IonicContact OE1-NH2 3.76Å; E18-R39 PolarHBondContact OE1-NH2 3.27Å; E18-R39 IonicContact OE2-CZ 2.71Å; E18-R39 IonicContact OE2-NE 3.52Å; E18-R39 PolarHBondContact OE2-NE 3.42Å; E18-R39 IonicContact OE2-NH2 2.62Å; E18-R39 PolarHBondContact OE2-NH2 3.05Å |
| 19 | N | 84.6 | Confident | 86.3 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 150.2 | -174.4 | 62.2 | -28.6 | 0 | 0 | 0 | 113.2 | F17 S21 N24 S351 | F17-N19 PolarHBondContact O-N 3.01Å; N19-S21 PolarHBondContact O-N 2.94Å; N19-N24 PolarHBondContact O-ND2 3.39Å; N19-S351 VanDerWaalsContact CB-O 3.28Å; N19-S351 WeakPolarHBondContact CB-O 3.37Å |
| 20 | A | 83.6 | Confident | 86.1 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 128.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N24 V26 A350 | A20-N24 WeakPolarHBondContact CA-O 3.2Å; A20-V26 HydrophobicContact CB-CG2 3.88Å; A20-A350 HydrophobicContact CB-CB 4.09Å; A20-A350 WeakPolarHBondContact CB-O 3.5Å; A20-A350 PolarHBondContact N-O 3.01Å |
| 21 | S | 83.2 | Confident | 85.9 | Confident | 58 Ų | 58 | 53 Ų | 53 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | trans | -141.7 | 178.3 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 109.6 | N19 V23 N24 | N19-S21 PolarHBondContact O-N 2.94Å; S21-V23 PolarHBondContact O-N 3.37Å; S21-V23 PolarHBondContact OG-N 3.5Å; S21-N24 PolarHBondContact N-O 3.17Å; S21-N24 PolarHBondContact O-N 3.32Å; S21-N24 VanDerWaalsContact O-O 3.06Å; S21-N24 WeakPolarHBondContact OG-CB 3.2Å; S21-N24 PolarHBondContact OG-N 3.41Å | ||
| 22 | S | 78.4 | Confident | 85.9 | Confident | 127 Ų | 127 | 54 Ų | 54 | 89% | 0.888 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -57.9 | -17.5 | 174.6 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 23 | V | 79.8 | Confident | 86.2 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -112.1 | -20.8 | -175.1 | -161.9 | 0 | 0 | 0 | 0 | 111.4 | S21 S40 | S21-V23 PolarHBondContact O-N 3.37Å; S21-V23 PolarHBondContact OG-N 3.5Å; V23-S40 WeakPolarHBondContact CG1-O 3.29Å; V23-S40 PolarHBondContact O-N 3.31Å; V23-S40 PolarHBondContact O-OG 3.1Å |
| 24 | N | 83.3 | Confident | 86.5 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.032 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.2 | -174.9 | -173.4 | 42.5 | 0 | 0 | 0 | 111 | E18 N19 A20 S21 V38 | E18-N24 PolarHBondContact O-ND2 2.98Å; N19-N24 PolarHBondContact O-ND2 3.39Å; A20-N24 WeakPolarHBondContact CA-O 3.2Å; S21-N24 PolarHBondContact N-O 3.17Å; S21-N24 PolarHBondContact O-N 3.32Å; S21-N24 VanDerWaalsContact O-O 3.06Å; S21-N24 WeakPolarHBondContact OG-CB 3.2Å; S21-N24 PolarHBondContact OG-N 3.41Å; N24-V38 WeakPolarHBondContact CA-O 3.44Å; N24-V38 VanDerWaalsContact OD1-C 3.3Å; N24-V38 PolarHBondContact OD1-N 3.39Å; N24-V38 PolarHBondContact OD1-O 3.14Å |
| 25 | N | 86.6 | Confident | 86.7 | Confident | 52 Ų | 52 | 42.3 Ų | 42.3 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.5 | 177.1 | -71.7 | -35.4 | 0 | 0 | 0 | 110.3 | F27 V38 | N25-F27 HydrophobicContact CB-CE2 3.69Å; N25-F27 HydrophobicContact CB-CZ 3.9Å; N25-V38 PolarHBondContact N-O 2.95Å; N25-V38 PolarHBondContact O-N 3.13Å |
| 26 | V | 89.5 | Confident | 86.9 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 22% | 0.218 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.8 | -177.5 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | F17 A20 V35 F36 | F17-V26 HydrophobicContact CD2-CG1 4.11Å; F17-V26 HydrophobicContact CD2-CG2 4.21Å; F17-V26 HydrophobicContact CE2-CB 4.36Å; F17-V26 HydrophobicContact CE2-CG1 3.56Å; F17-V26 HydrophobicContact CE2-CG2 3.89Å; F17-V26 HydrophobicContact CZ-CG1 4.13Å; A20-V26 HydrophobicContact CB-CG2 3.88Å; V26-V35 HydrophobicContact CG1-CG1 3.49Å; V26-V35 VanDerWaalsContact CG1-CG1 3.49Å; V26-F36 CarbonylContact C-O 3.59Å; V26-F36 VanDerWaalsContact CA-O 3.28Å; V26-F36 WeakPolarHBondContact CA-O 3.42Å |
| 27 | F | 90.9 | Very high | 87 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.5 | 176.3 | -52.7 | -89.7 | 0 | 0 | 0 | 110.5 | N25 V35 F36 V38 V67 K68 I70 | N25-F27 HydrophobicContact CB-CE2 3.69Å; N25-F27 HydrophobicContact CB-CZ 3.9Å; F27-V35 CarbonylContact O-C 3.58Å; F27-V35 WeakPolarHBondContact O-CA 3.28Å; F27-F36 HydrophobicContact CB-CB 4.2Å; F27-F36 PolarHBondContact N-O 3.09Å; F27-F36 PolarHBondContact O-N 3Å; F27-V38 HydrophobicContact CD2-CG2 3.84Å; F27-V38 HydrophobicContact CE2-CB 4.12Å; F27-V38 HydrophobicContact CE2-CG2 3.81Å; F27-V67 HydrophobicContact CE2-CB 4.39Å; F27-V67 HydrophobicContact CE2-CG1 4.1Å; F27-V67 HydrophobicContact CZ-CB 4.25Å; F27-V67 HydrophobicContact CZ-CG1 4.03Å; F27-V67 WeakPolarHBondContact CZ-O 3.26Å; F27-K68 WeakPolarHBondContact CE1-O 3.37Å; F27-I70 HydrophobicContact CB-CG2 3.76Å; F27-I70 HydrophobicContact CD1-CG2 4.41Å; F27-I70 HydrophobicContact CD2-CG2 3.45Å; F27-I70 VanDerWaalsContact CD2-CG2 3.45Å; F27-I70 HydrophobicContact CE2-CG2 4.16Å; F27-I70 HydrophobicContact CG-CG2 3.61Å |
| 28 | F | 90.8 | Very high | 87.1 | Confident | 27 Ų | 27 | 38 Ų | 38 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.8 | 177.5 | -178.4 | -116.4 | 0 | 0 | 0 | 110.7 | E30 Q34 V35 F342 I346 I348 | F28-E30 HydrophobicContact CD1-CG 3.88Å; F28-E30 HydrophobicContact CE1-CB 4.3Å; F28-E30 HydrophobicContact CE1-CG 3.86Å; F28-Q34 VanDerWaalsContact CD2-O 3.3Å; F28-Q34 WeakPolarHBondContact CD2-O 3.31Å; F28-V35 HydrophobicContact CD2-CG2 4.19Å; F28-F342 HydrophobicContact CB-CE2 4.47Å; F28-F342 HydrophobicContact CB-CZ 4.33Å; F28-F342 HydrophobicContact CD1-CB 4.32Å; F28-F342 AromaticContact CD1-CD1 3.71Å; F28-F342 HydrophobicContact CD1-CD1 3.71Å; F28-F342 AromaticContact CD1-CD2 3.93Å; F28-F342 HydrophobicContact CD1-CD2 3.93Å; F28-F342 AromaticContact CD1-CE1 3.91Å; F28-F342 HydrophobicContact CD1-CE1 3.91Å; F28-F342 HydrophobicContact CD1-CE2 4.11Å; F28-F342 AromaticContact CD1-CG 3.73Å; F28-F342 HydrophobicContact CD1-CG 3.73Å; F28-F342 HydrophobicContact CD1-CZ 4.1Å; F28-F342 HydrophobicContact CE1-CB 3.84Å; F28-F342 HydrophobicContact CE1-CD1 4.02Å; F28-F342 HydrophobicContact CE1-CD2 4.21Å; F28-F342 AromaticContact CE1-CG 3.77Å; F28-F342 HydrophobicContact CE1-CG 3.77Å; F28-F342 HydrophobicContact CG-CE2 4.46Å; F28-I346 HydrophobicContact CE1-CD1 4.43Å; F28-I346 HydrophobicContact CE2-CD1 4.48Å; F28-I346 HydrophobicContact CZ-CD1 3.64Å; F28-I346 HydrophobicContact CZ-CG2 4.23Å; F28-I348 HydrophobicContact CB-CD1 3.99Å; F28-I348 HydrophobicContact CD1-CD1 4.13Å; F28-I348 HydrophobicContact CD2-CD1 3.39Å; F28-I348 HydrophobicContact CE2-CD1 3.84Å; F28-I348 HydrophobicContact CG-CD1 3.56Å; F28-I348 HydrophobicContact CZ-CD1 4.39Å |
| 29 | D | 90.3 | Very high | 87.1 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 101 | 172.8 | -179.2 | 1.6 | 0 | 0 | 0 | 109.5 | A31 N32 K33 Q34 F36 K71 F72 | D29-A31 PolarHBondContact O-N 3.37Å; D29-A31 WeakPolarHBondContact OD1-CB 3.48Å; D29-A31 PolarHBondContact OD1-N 3.37Å; D29-N32 PolarHBondContact OD2-ND2 2.94Å; D29-K33 WeakPolarHBondContact O-CA 3.31Å; D29-K33 PolarHBondContact O-N 3.2Å; D29-Q34 PolarHBondContact N-O 2.7Å; D29-Q34 PolarHBondContact O-N 3.13Å; D29-F36 HydrophobicContact CB-CD2 4.36Å; D29-F36 HydrophobicContact CB-CE2 3.67Å; D29-K71 HydrophobicContact CB-CB 4.34Å; D29-K71 HydrophobicContact CB-CG 4.26Å; D29-F72 PolarHBondContact OD2-N 3.01Å |
| 30 | E | 87.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.4 | -180 | -60 | 168.6 | 155.7 | 0 | 0 | 112.9 | F28 P161 F342 | F28-E30 HydrophobicContact CD1-CG 3.88Å; F28-E30 HydrophobicContact CE1-CB 4.3Å; F28-E30 HydrophobicContact CE1-CG 3.86Å; E30-P161 WeakPolarHBondContact O-CG 3.36Å; E30-F342 HydrophobicContact CG-CD1 4.47Å |
| 31 | A | 86.9 | Confident | 85.4 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -44 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | D29 Y159 P161 | D29-A31 PolarHBondContact O-N 3.37Å; D29-A31 WeakPolarHBondContact OD1-CB 3.48Å; D29-A31 PolarHBondContact OD1-N 3.37Å; A31-Y159 HydrophobicContact CB-CE1 4.29Å; A31-P161 HydrophobicContact CB-CB 4.3Å |
| 32 | N | 88.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 41.2 Ų | 41.2 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -4.7 | 178.6 | -62.4 | -59.4 | 0 | 0 | 0 | 113.4 | D29 Q34 F72 | D29-N32 PolarHBondContact OD2-ND2 2.94Å; N32-Q34 VanDerWaalsContact C-N 3.29Å; N32-Q34 HydrophobicContact CB-CB 4.45Å; N32-Q34 HydrophobicContact CB-CG 3.95Å; N32-Q34 PolarHBondContact O-N 3.06Å; N32-F72 PolarHBondContact ND2-O 3.06Å |
| 33 | K | 89.4 | Confident | 83.8 | Confident | 65 Ų | 65 | 38.2 Ų | 38.2 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 38.9 | -173.8 | -56 | -179 | 175.9 | -169.6 | 0 | 113.1 | D29 I346 Q355 | D29-K33 WeakPolarHBondContact O-CA 3.31Å; D29-K33 PolarHBondContact O-N 3.2Å; K33-I346 HydrophobicContact CB-CD1 4.24Å; K33-I346 HydrophobicContact CD-CD1 4.02Å; K33-I346 HydrophobicContact CG-CD1 4Å; K33-Q355 PolarHBondContact O-NE2 2.64Å |
| 34 | Q | 90.2 | Very high | 83.8 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.9 | -175.5 | -72 | 168.5 | 2.3 | 0 | 0 | 111.9 | F28 D29 N32 F36 V48 K49 N76 | F28-Q34 VanDerWaalsContact CD2-O 3.3Å; F28-Q34 WeakPolarHBondContact CD2-O 3.31Å; D29-Q34 PolarHBondContact N-O 2.7Å; D29-Q34 PolarHBondContact O-N 3.13Å; N32-Q34 VanDerWaalsContact C-N 3.29Å; N32-Q34 HydrophobicContact CB-CB 4.45Å; N32-Q34 HydrophobicContact CB-CG 3.95Å; N32-Q34 PolarHBondContact O-N 3.06Å; Q34-F36 HydrophobicContact CB-CE2 4.25Å; Q34-V48 HydrophobicContact CB-CG1 3.98Å; Q34-V48 HydrophobicContact CG-CG1 4.33Å; Q34-K49 CarbonylContact C-O 3.5Å; Q34-K49 WeakPolarHBondContact CA-O 3.44Å; Q34-N76 PolarHBondContact NE2-ND2 3.16Å; Q34-N76 VanDerWaalsContact NE2-ND2 3.16Å; Q34-N76 PolarHBondContact NE2-OD1 2.85Å; Q34-N76 PolarHBondContact OE1-OD1 2.95Å |
| 35 | V | 91.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.6 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | F17 V26 F27 F28 V48 K49 Q355 | F17-V35 HydrophobicContact CB-CG1 4.39Å; F17-V35 HydrophobicContact CD1-CB 4.12Å; F17-V35 HydrophobicContact CD1-CG1 3.82Å; F17-V35 HydrophobicContact CD1-CG2 4.03Å; F17-V35 HydrophobicContact CD2-CG1 3.84Å; F17-V35 HydrophobicContact CE1-CB 4.49Å; F17-V35 HydrophobicContact CE1-CG1 3.99Å; F17-V35 HydrophobicContact CE1-CG2 4.08Å; F17-V35 HydrophobicContact CE2-CG1 4.05Å; F17-V35 HydrophobicContact CG-CB 4.32Å; F17-V35 HydrophobicContact CG-CG1 3.75Å; F17-V35 HydrophobicContact CZ-CG1 4.13Å; V26-V35 HydrophobicContact CG1-CG1 3.49Å; V26-V35 VanDerWaalsContact CG1-CG1 3.49Å; F27-V35 CarbonylContact O-C 3.58Å; F27-V35 WeakPolarHBondContact O-CA 3.28Å; F28-V35 HydrophobicContact CD2-CG2 4.19Å; V35-V48 CarbonylContact O-C 3.57Å; V35-V48 VanDerWaalsContact O-CA 3.3Å; V35-V48 WeakPolarHBondContact O-CA 3.28Å; V35-K49 PolarHBondContact N-O 3.19Å; V35-K49 PolarHBondContact O-N 3.4Å; V35-Q355 HydrophobicContact CG2-CB 4.32Å |
| 36 | F | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.8 | 174.7 | -67.5 | -110.1 | 0 | 0 | 0 | 108.9 | V26 F27 D29 Q34 V46 V48 I70 F72 L79 | V26-F36 CarbonylContact C-O 3.59Å; V26-F36 VanDerWaalsContact CA-O 3.28Å; V26-F36 WeakPolarHBondContact CA-O 3.42Å; F27-F36 HydrophobicContact CB-CB 4.2Å; F27-F36 PolarHBondContact N-O 3.09Å; F27-F36 PolarHBondContact O-N 3Å; D29-F36 HydrophobicContact CB-CD2 4.36Å; D29-F36 HydrophobicContact CB-CE2 3.67Å; Q34-F36 HydrophobicContact CB-CE2 4.25Å; F36-V46 HydrophobicContact CD1-CG1 3.91Å; F36-V48 HydrophobicContact CD1-CB 4.42Å; F36-V48 HydrophobicContact CD1-CG1 4.35Å; F36-V48 HydrophobicContact CD1-CG2 3.34Å; F36-V48 HydrophobicContact CD2-CG1 4.33Å; F36-V48 HydrophobicContact CE1-CB 4.38Å; F36-V48 HydrophobicContact CE1-CG1 4.08Å; F36-V48 HydrophobicContact CE1-CG2 3.37Å; F36-V48 HydrophobicContact CE2-CG1 4.02Å; F36-V48 HydrophobicContact CG-CG1 4.46Å; F36-V48 HydrophobicContact CG-CG2 4.04Å; F36-V48 HydrophobicContact CZ-CG1 3.91Å; F36-V48 HydrophobicContact CZ-CG2 4.09Å; F36-I70 HydrophobicContact CB-CG2 3.99Å; F36-I70 HydrophobicContact CD1-CD1 3.95Å; F36-I70 HydrophobicContact CD1-CG1 3.79Å; F36-I70 HydrophobicContact CD1-CG2 4.08Å; F36-I70 HydrophobicContact CE1-CD1 4.31Å; F36-I70 HydrophobicContact CE1-CG1 3.91Å; F36-I70 HydrophobicContact CG-CG2 4.04Å; F36-F72 AromaticContact CE1-CD2 3.67Å; F36-F72 HydrophobicContact CE1-CD2 3.67Å; F36-F72 AromaticContact CE1-CE2 3.87Å; F36-F72 HydrophobicContact CE1-CE2 3.87Å; F36-F72 HydrophobicContact CE1-CG 4.5Å; F36-F72 HydrophobicContact CZ-CB 4.28Å; F36-F72 AromaticContact CZ-CD2 3.41Å; F36-F72 HydrophobicContact CZ-CD2 3.41Å; F36-F72 VanDerWaalsContact CZ-CD2 3.41Å; F36-F72 HydrophobicContact CZ-CE2 4.08Å; F36-F72 HydrophobicContact CZ-CG 4.11Å; F36-L79 HydrophobicContact CE1-CD1 3.83Å; F36-L79 HydrophobicContact CZ-CD1 4.47Å |
| 37 | A | 90 | Very high | 83.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | E18 V46 V47 | E18-A37 HydrophobicContact CB-CB 4.06Å; A37-V46 WeakPolarHBondContact O-CA 3.3Å; A37-V47 PolarHBondContact N-O 3.42Å; A37-V47 PolarHBondContact O-N 2.94Å |
| 38 | V | 88.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.1 | -175.7 | -176.7 | 0 | 0 | 0 | 0 | 109 | N24 N25 F27 T44 V46 V67 I70 | N24-V38 WeakPolarHBondContact CA-O 3.44Å; N24-V38 VanDerWaalsContact OD1-C 3.3Å; N24-V38 PolarHBondContact OD1-N 3.39Å; N24-V38 PolarHBondContact OD1-O 3.14Å; N25-V38 PolarHBondContact N-O 2.95Å; N25-V38 PolarHBondContact O-N 3.13Å; F27-V38 HydrophobicContact CD2-CG2 3.84Å; F27-V38 HydrophobicContact CE2-CB 4.12Å; F27-V38 HydrophobicContact CE2-CG2 3.81Å; V38-T44 HydrophobicContact CG1-CG2 3.47Å; V38-T44 VanDerWaalsContact CG1-CG2 3.47Å; V38-V46 HydrophobicContact CG1-CG2 4.4Å; V38-V46 HydrophobicContact CG2-CG1 4.3Å; V38-V46 HydrophobicContact CG2-CG2 4.27Å; V38-V67 HydrophobicContact CG1-CG2 4.27Å; V38-I70 HydrophobicContact CG2-CG2 4.26Å |
| 39 | R | 85.1 | Confident | 83.6 | Confident | 130 Ų | 130 | 33.2 Ų | 33.2 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.8 | 176.9 | -67.4 | -178.1 | 175.6 | -179.7 | -2.8 | 111 | E18 T44 G45 | E18-R39 IonicContact OE1-CZ 2.67Å; E18-R39 VanDerWaalsContact OE1-CZ 3.29Å; E18-R39 IonicContact OE1-NE 2.73Å; E18-R39 IonicContact OE1-NH2 3.76Å; E18-R39 PolarHBondContact OE1-NH2 3.27Å; E18-R39 IonicContact OE2-CZ 2.71Å; E18-R39 IonicContact OE2-NE 3.52Å; E18-R39 PolarHBondContact OE2-NE 3.42Å; E18-R39 IonicContact OE2-NH2 2.62Å; E18-R39 PolarHBondContact OE2-NH2 3.05Å; R39-T44 WeakPolarHBondContact O-CA 3.47Å; R39-G45 PolarHBondContact N-O 3.28Å |
| 40 | S | 72.3 | Confident | 83.3 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | trans | -105.4 | 119.3 | 179.8 | -37.9 | 0 | 0 | 0 | 0 | 108.9 | V23 | V23-S40 WeakPolarHBondContact CG1-O 3.29Å; V23-S40 PolarHBondContact O-N 3.31Å; V23-S40 PolarHBondContact O-OG 3.1Å | ||
| 41 | G | 60 | Low | 82.6 | Confident | 75 Ų | 75 | 34.1 Ų | 34.1 | 77% | 0.773 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 160.7 | 37.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 42 | G | 65.6 | Low | 81.9 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 123.3 | -72.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D63 | G42-D63 WeakPolarHBondContact O-CB 3.41Š|
| 43 | A | 63.3 | Low | 80.7 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -109.8 | 119.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | G45 | A43-G45 PolarHBondContact O-N 3.21Š|
| 44 | T | 78.4 | Confident | 79.4 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 96.2 | -176.4 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | V38 R39 V46 M61 D63 | V38-T44 HydrophobicContact CG1-CG2 3.47Å; V38-T44 VanDerWaalsContact CG1-CG2 3.47Å; R39-T44 WeakPolarHBondContact O-CA 3.47Å; T44-V46 HydrophobicContact CG2-CG2 4.35Å; T44-M61 PolarHBondContact N-O 2.93Å; T44-M61 PolarHBondContact O-N 3.21Å; T44-D63 WeakPolarHBondContact OG1-CA 3.35Å |
| 45 | G | 84.6 | Confident | 78.2 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R39 A43 | R39-G45 PolarHBondContact N-O 3.28Å; A43-G45 PolarHBondContact O-N 3.21Å |
| 46 | V | 87.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.7 | 177.7 | -175 | 0 | 0 | 0 | 0 | 108.7 | F36 A37 V38 T44 V48 A58 F59 M61 I70 | F36-V46 HydrophobicContact CD1-CG1 3.91Å; A37-V46 WeakPolarHBondContact O-CA 3.3Å; V38-V46 HydrophobicContact CG1-CG2 4.4Å; V38-V46 HydrophobicContact CG2-CG1 4.3Å; V38-V46 HydrophobicContact CG2-CG2 4.27Å; T44-V46 HydrophobicContact CG2-CG2 4.35Å; V46-V48 HydrophobicContact CG1-CG2 3.92Å; V46-A58 WeakPolarHBondContact O-CA 3.41Å; V46-F59 HydrophobicContact CB-CD1 4.5Å; V46-F59 HydrophobicContact CB-CD2 4.23Å; V46-F59 HydrophobicContact CB-CE1 4.08Å; V46-F59 HydrophobicContact CB-CE2 3.77Å; V46-F59 HydrophobicContact CB-CZ 3.69Å; V46-F59 HydrophobicContact CG1-CE1 3.94Å; V46-F59 HydrophobicContact CG1-CE2 4.19Å; V46-F59 HydrophobicContact CG1-CZ 3.6Å; V46-F59 HydrophobicContact CG2-CE2 3.98Å; V46-F59 HydrophobicContact CG2-CZ 4.24Å; V46-F59 PolarHBondContact N-O 3.29Å; V46-F59 PolarHBondContact O-N 2.96Å; V46-M61 HydrophobicContact CG2-CG 4.24Å; V46-M61 HydrophobicContact CG2-SD 3.89Å; V46-I70 HydrophobicContact CG1-CD1 4.17Å; V46-I70 HydrophobicContact CG2-CD1 4.4Å |
| 47 | V | 88.6 | Confident | 77.4 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.218 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.9 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | A37 K49 A58 | A37-V47 PolarHBondContact N-O 3.42Å; A37-V47 PolarHBondContact O-N 2.94Å; V47-K49 HydrophobicContact CG1-CG 4.24Å; V47-A58 HydrophobicContact CG2-CB 4.37Å |
| 48 | V | 89.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.2 | 178 | -171.3 | 0 | 0 | 0 | 0 | 108.2 | Q34 V35 F36 V46 S56 V57 F59 F72 | Q34-V48 HydrophobicContact CB-CG1 3.98Å; Q34-V48 HydrophobicContact CG-CG1 4.33Å; V35-V48 CarbonylContact O-C 3.57Å; V35-V48 VanDerWaalsContact O-CA 3.3Å; V35-V48 WeakPolarHBondContact O-CA 3.28Å; F36-V48 HydrophobicContact CD1-CB 4.42Å; F36-V48 HydrophobicContact CD1-CG1 4.35Å; F36-V48 HydrophobicContact CD1-CG2 3.34Å; F36-V48 HydrophobicContact CD2-CG1 4.33Å; F36-V48 HydrophobicContact CE1-CB 4.38Å; F36-V48 HydrophobicContact CE1-CG1 4.08Å; F36-V48 HydrophobicContact CE1-CG2 3.37Å; F36-V48 HydrophobicContact CE2-CG1 4.02Å; F36-V48 HydrophobicContact CG-CG1 4.46Å; F36-V48 HydrophobicContact CG-CG2 4.04Å; F36-V48 HydrophobicContact CZ-CG1 3.91Å; F36-V48 HydrophobicContact CZ-CG2 4.09Å; V46-V48 HydrophobicContact CG1-CG2 3.92Å; V48-S56 CarbonylContact O-C 3.59Å; V48-S56 WeakPolarHBondContact O-CA 3.44Å; V48-V57 HydrophobicContact CB-CB 4.48Å; V48-V57 PolarHBondContact N-O 3.26Å; V48-V57 PolarHBondContact O-N 3Å; V48-F59 HydrophobicContact CG2-CE1 3.93Å; V48-F72 HydrophobicContact CB-CE2 4.4Å; V48-F72 HydrophobicContact CG1-CD2 4.32Å; V48-F72 HydrophobicContact CG1-CE2 4.34Å; V48-F72 HydrophobicContact CG2-CD2 4.47Å; V48-F72 HydrophobicContact CG2-CE2 3.85Å |
| 49 | K | 87.5 | Confident | 77.1 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.5 | 175.8 | -65 | -169.1 | 177.9 | -165.7 | 0 | 109.6 | V15 Q16 F17 Q34 V35 V47 | V15-K49 HydrophobicContact CG1-CB 3.71Å; Q16-K49 WeakPolarHBondContact O-CD 3.49Å; Q16-K49 VanDerWaalsContact O-CE 3.3Å; Q16-K49 WeakPolarHBondContact O-CE 3.32Å; Q16-K49 PolarHBondContact O-NZ 2.89Å; F17-K49 HydrophobicContact CB-CD 4.21Å; Q34-K49 CarbonylContact C-O 3.5Å; Q34-K49 WeakPolarHBondContact CA-O 3.44Å; V35-K49 PolarHBondContact N-O 3.19Å; V35-K49 PolarHBondContact O-N 3.4Å; V47-K49 HydrophobicContact CG1-CG 4.24Å |
| 50 | G | 83.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | trans | -108.7 | -174.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V15 E52 S55 | V15-G50 WeakPolarHBondContact CG2-O 3.47Å; G50-E52 PolarHBondContact O-N 2.97Å; G50-S55 WeakPolarHBondContact CA-OG 3.32Å; G50-S55 PolarHBondContact N-OG 2.92Å | ||
| 51 | P | 73.1 | Confident | 77.7 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -61.5 | -27.2 | 179.2 | 17.1 | -27.6 | 0 | 0 | 0 | 114.5 | Y357 | P51-Y357 HydrophobicContact CB-CE2 4.25Å; P51-Y357 WeakPolarHBondContact CB-OH 3.29Å |
| 52 | E | 73.8 | Confident | 78.7 | Confident | 135 Ų | 135 | 66.7 Ų | 66.7 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -102.2 | 135 | 176.9 | -63.4 | -174.2 | -178.9 | 0 | 0 | 110.4 | G50 K54 S55 | G50-E52 PolarHBondContact O-N 2.97Å; E52-K54 PolarHBondContact O-N 3.05Å; E52-K54 VanDerWaalsContact O-N 3.1Å; E52-S55 WeakPolarHBondContact O-CA 3.39Å; E52-S55 VanDerWaalsContact O-CB 3.29Å; E52-S55 WeakPolarHBondContact O-CB 3.2Å; E52-S55 PolarHBondContact O-N 2.92Å; E52-S55 PolarHBondContact O-OG 2.85Å |
| 53 | D | 62.9 | Low | 79.3 | Confident | 159 Ų | 159 | 67.8 Ų | 67.8 | 85% | 0.85 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -57.3 | -30.1 | 178.3 | -81.2 | -25.8 | 0 | 0 | 0 | 113.1 | S55 S56 | D53-S55 PolarHBondContact O-N 3.36Å; D53-S56 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact O-OG 3.3Å |
| 54 | K | 62.7 | Low | 80.1 | Confident | 199 Ų | 199 | 70.3 Ų | 70.3 | 87% | 0.865 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -67.9 | -14.8 | 175.3 | -66 | -179.4 | -178.1 | 174.7 | 0 | 113.7 | E52 S56 | E52-K54 PolarHBondContact O-N 3.05Å; E52-K54 VanDerWaalsContact O-N 3.1Å; K54-S56 VanDerWaalsContact C-N 3.31Å |
| 55 | S | 64.5 | Low | 80.3 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -89.4 | 5.3 | 179.8 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | G50 E52 D53 V57 | G50-S55 WeakPolarHBondContact CA-OG 3.32Å; G50-S55 PolarHBondContact N-OG 2.92Å; E52-S55 WeakPolarHBondContact O-CA 3.39Å; E52-S55 VanDerWaalsContact O-CB 3.29Å; E52-S55 WeakPolarHBondContact O-CB 3.2Å; E52-S55 PolarHBondContact O-N 2.92Å; E52-S55 PolarHBondContact O-OG 2.85Å; D53-S55 PolarHBondContact O-N 3.36Å; S55-V57 PolarHBondContact O-N 3.24Å |
| 56 | S | 79.9 | Confident | 80.2 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | trans | -72.6 | 123.1 | 175.3 | 75 | 0 | 0 | 0 | 0 | 111.1 | V48 D53 K54 | V48-S56 CarbonylContact O-C 3.59Å; V48-S56 WeakPolarHBondContact O-CA 3.44Å; D53-S56 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact O-OG 3.3Å; K54-S56 VanDerWaalsContact C-N 3.31Å | ||
| 57 | V | 84.1 | Confident | 80.3 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 30% | 0.297 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.3 | 177.2 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | V48 S55 F59 | V48-V57 HydrophobicContact CB-CB 4.48Å; V48-V57 PolarHBondContact N-O 3.26Å; V48-V57 PolarHBondContact O-N 3Å; S55-V57 PolarHBondContact O-N 3.24Å; V57-F59 HydrophobicContact CG1-CD1 4Å |
| 58 | A | 86 | Confident | 80.3 | Confident | 80 Ų | 80 | 81.8 Ų | 81.8 | 66% | 0.661 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | V46 V47 | V46-A58 WeakPolarHBondContact O-CA 3.41Å; V47-A58 HydrophobicContact CG2-CB 4.37Å |
| 59 | F | 87.3 | Confident | 80.3 | Confident | 32 Ų | 32 | 82.7 Ų | 82.7 | 14% | 0.14 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 169.1 | 178.4 | 59.8 | -86.9 | 0 | 0 | 0 | 110.7 | V46 V48 V57 M61 F72 L79 F93 | V46-F59 HydrophobicContact CB-CD1 4.5Å; V46-F59 HydrophobicContact CB-CD2 4.23Å; V46-F59 HydrophobicContact CB-CE1 4.08Å; V46-F59 HydrophobicContact CB-CE2 3.77Å; V46-F59 HydrophobicContact CB-CZ 3.69Å; V46-F59 HydrophobicContact CG1-CE1 3.94Å; V46-F59 HydrophobicContact CG1-CE2 4.19Å; V46-F59 HydrophobicContact CG1-CZ 3.6Å; V46-F59 HydrophobicContact CG2-CE2 3.98Å; V46-F59 HydrophobicContact CG2-CZ 4.24Å; V46-F59 PolarHBondContact N-O 3.29Å; V46-F59 PolarHBondContact O-N 2.96Å; V48-F59 HydrophobicContact CG2-CE1 3.93Å; V57-F59 HydrophobicContact CG1-CD1 4Å; F59-M61 HydrophobicContact CD2-CG 3.86Å; F59-M61 HydrophobicContact CE2-CG 3.61Å; F59-M61 HydrophobicContact CE2-SD 3.71Å; F59-F72 HydrophobicContact CE1-CE2 4.01Å; F59-F72 AromaticContact CE1-CZ 3.74Å; F59-F72 HydrophobicContact CE1-CZ 3.74Å; F59-F72 HydrophobicContact CZ-CE2 4.48Å; F59-F72 HydrophobicContact CZ-CZ 4.1Å; F59-L79 HydrophobicContact CE2-CD2 3.49Å; F59-L79 VanDerWaalsContact CE2-CD2 3.49Å; F59-L79 HydrophobicContact CZ-CD1 4.31Å; F59-L79 HydrophobicContact CZ-CD2 3.45Å; F59-L79 VanDerWaalsContact CZ-CD2 3.45Å; F59-L79 HydrophobicContact CZ-CG 4.5Å; F59-F93 HydrophobicContact CB-CE1 4.29Å; F59-F93 HydrophobicContact CB-CZ 4.49Å; F59-F93 AromaticContact CD1-CE1 3.97Å; F59-F93 HydrophobicContact CD1-CE1 3.97Å; F59-F93 AromaticContact CD1-CZ 3.98Å; F59-F93 HydrophobicContact CD1-CZ 3.98Å; F59-F93 HydrophobicContact CD2-CE1 4.27Å; F59-F93 AromaticContact CD2-CZ 3.66Å; F59-F93 HydrophobicContact CD2-CZ 3.66Å; F59-F93 HydrophobicContact CE1-CE1 4.36Å; F59-F93 HydrophobicContact CE1-CZ 4.06Å; F59-F93 HydrophobicContact CE2-CE2 4.47Å; F59-F93 AromaticContact CE2-CZ 3.74Å; F59-F93 HydrophobicContact CE2-CZ 3.74Å; F59-F93 AromaticContact CG-CE1 3.92Å; F59-F93 HydrophobicContact CG-CE1 3.92Å; F59-F93 AromaticContact CG-CZ 3.78Å; F59-F93 HydrophobicContact CG-CZ 3.78Å; F59-F93 AromaticContact CZ-CZ 3.95Å; F59-F93 HydrophobicContact CZ-CZ 3.95Å |
| 60 | R | 85.6 | Confident | 80.6 | Confident | 211 Ų | 211 | 79.6 Ų | 79.6 | 80% | 0.796 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 143.3 | 176.5 | -66.3 | -177.9 | -179.1 | 172.1 | 0.1 | 109.5 | ||
| 61 | M | 84.6 | Confident | 81.1 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 5% | 0.054 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 156.6 | 174.1 | -67.2 | -177.4 | 66.5 | 0 | 0 | 109.9 | T44 V46 F59 I70 L79 V81 R83 I91 | T44-M61 PolarHBondContact N-O 2.93Å; T44-M61 PolarHBondContact O-N 3.21Å; V46-M61 HydrophobicContact CG2-CG 4.24Å; V46-M61 HydrophobicContact CG2-SD 3.89Å; F59-M61 HydrophobicContact CD2-CG 3.86Å; F59-M61 HydrophobicContact CE2-CG 3.61Å; F59-M61 HydrophobicContact CE2-SD 3.71Å; M61-I70 HydrophobicContact SD-CD1 4.29Å; M61-L79 HydrophobicContact CE-CD2 4.31Å; M61-L79 HydrophobicContact SD-CD2 3.8Å; M61-V81 HydrophobicContact CE-CB 4.2Å; M61-V81 HydrophobicContact CE-CG1 4.28Å; M61-V81 HydrophobicContact CE-CG2 3.5Å; M61-V81 HydrophobicContact SD-CG2 4.15Å; M61-R83 VanDerWaalsContact CE-NH2 3.26Å; M61-I91 HydrophobicContact CE-CD1 3.41Å; M61-I91 VanDerWaalsContact CE-CD1 3.41Å; M61-I91 HydrophobicContact CG-CD1 4.19Å; M61-I91 HydrophobicContact SD-CD1 4.24Å |
| 62 | D | 80.9 | Confident | 82 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | trans | -64.3 | 134.8 | 169.9 | -67.5 | -20.8 | 0 | 0 | 0 | 110 | K64 R83 | D62-K64 HydrophobicContact CB-CD 4.48Å; D62-K64 HydrophobicContact CB-CG 4.26Å; D62-K64 PolarHBondContact O-N 3.46Å; D62-K64 VanDerWaalsContact O-N 3.15Å; D62-R83 PolarHBondContact O-NH2 3.35Å | ||
| 63 | D | 78.3 | Confident | 82.9 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | trans | -77.2 | 100 | 175.1 | -169.4 | -3.4 | 0 | 0 | 0 | 109.5 | G42 T44 G65 | G42-D63 WeakPolarHBondContact O-CB 3.41Å; T44-D63 WeakPolarHBondContact OG1-CA 3.35Å; D63-G65 PolarHBondContact OD1-N 3.48Å | ||
| 64 | K | 79.9 | Confident | 84 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | trans | -117.1 | 27.6 | 179.5 | -64.9 | -179.2 | -179.3 | 172.5 | 0 | 111.6 | D62 E101 | D62-K64 HydrophobicContact CB-CD 4.48Å; D62-K64 HydrophobicContact CB-CG 4.26Å; D62-K64 PolarHBondContact O-N 3.46Å; D62-K64 VanDerWaalsContact O-N 3.15Å; K64-E101 IonicContact NZ-OE2 2.66Å; K64-E101 PolarHBondContact NZ-OE2 3.39Å | ||
| 65 | G | 80.9 | Confident | 85.1 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 96.7 | -174.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D63 | D63-G65 PolarHBondContact OD1-N 3.48Š|
| 66 | E | 84.3 | Confident | 86.2 | Confident | 143 Ų | 143 | 60 Ų | 60 | 67% | 0.668 | 33% | 0.33 | S | S | * | . | trans | -63.9 | 132.1 | -171.7 | -170.7 | -179.4 | -175.1 | 0 | 0 | 112.6 | ||||
| 67 | V | 88.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | trans | -83.8 | 125.2 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | F27 V38 I70 V81 | F27-V67 HydrophobicContact CE2-CB 4.39Å; F27-V67 HydrophobicContact CE2-CG1 4.1Å; F27-V67 HydrophobicContact CZ-CB 4.25Å; F27-V67 HydrophobicContact CZ-CG1 4.03Å; F27-V67 WeakPolarHBondContact CZ-O 3.26Å; V38-V67 HydrophobicContact CG1-CG2 4.27Å; V67-I70 HydrophobicContact CG1-CB 3.94Å; V67-I70 HydrophobicContact CG1-CG2 4.1Å; V67-V81 HydrophobicContact CG1-CG1 3.88Å; V67-V81 HydrophobicContact CG2-CG1 4.02Å | ||
| 68 | K | 88.4 | Confident | 86.9 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -93.1 | -36.8 | 175.6 | -63.2 | -172.1 | 175.4 | -168.9 | 0 | 112.9 | F27 Q82 | F27-K68 WeakPolarHBondContact CE1-O 3.37Å; K68-Q82 HydrophobicContact CB-CG 4.48Å; K68-Q82 WeakPolarHBondContact CB-O 3.42Å; K68-Q82 PolarHBondContact N-O 3.06Å |
| 69 | C | 90.1 | Very high | 87.2 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 140 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | Q82 F116 | C69-Q82 HydrophobicContact CB-CB 4.1Å; C69-Q82 PolarHBondContact N-O 3.48Å; C69-Q82 PolarHBondContact O-N 3.03Å; C69-F116 HydrophobicContact CB-CE1 3.88Å |
| 70 | I | 93.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 126.6 | 179.8 | 179.9 | 162.9 | 0 | 0 | 0 | 108.5 | F27 F36 V38 V46 M61 V67 L79 A80 V81 | F27-I70 HydrophobicContact CB-CG2 3.76Å; F27-I70 HydrophobicContact CD1-CG2 4.41Å; F27-I70 HydrophobicContact CD2-CG2 3.45Å; F27-I70 VanDerWaalsContact CD2-CG2 3.45Å; F27-I70 HydrophobicContact CE2-CG2 4.16Å; F27-I70 HydrophobicContact CG-CG2 3.61Å; F36-I70 HydrophobicContact CB-CG2 3.99Å; F36-I70 HydrophobicContact CD1-CD1 3.95Å; F36-I70 HydrophobicContact CD1-CG1 3.79Å; F36-I70 HydrophobicContact CD1-CG2 4.08Å; F36-I70 HydrophobicContact CE1-CD1 4.31Å; F36-I70 HydrophobicContact CE1-CG1 3.91Å; F36-I70 HydrophobicContact CG-CG2 4.04Å; V38-I70 HydrophobicContact CG2-CG2 4.26Å; V46-I70 HydrophobicContact CG1-CD1 4.17Å; V46-I70 HydrophobicContact CG2-CD1 4.4Å; M61-I70 HydrophobicContact SD-CD1 4.29Å; V67-I70 HydrophobicContact CG1-CB 3.94Å; V67-I70 HydrophobicContact CG1-CG2 4.1Å; I70-L79 HydrophobicContact CD1-CD1 4.07Å; I70-L79 HydrophobicContact CD1-CD2 4.18Å; I70-L79 HydrophobicContact CD1-CG 4.45Å; I70-L79 HydrophobicContact CG1-CD1 3.73Å; I70-L79 HydrophobicContact CG1-CG 4.35Å; I70-A80 WeakPolarHBondContact CA-O 3.45Å; I70-V81 HydrophobicContact CD1-CG2 3.89Å; I70-V81 HydrophobicContact CG1-CG2 3.95Å |
| 71 | K | 93.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147.2 | 178.3 | -54.7 | -179.4 | 179.9 | 174.5 | 0 | 111.2 | D29 A80 F116 W118 | D29-K71 HydrophobicContact CB-CB 4.34Å; D29-K71 HydrophobicContact CB-CG 4.26Å; K71-A80 PolarHBondContact N-O 2.77Å; K71-A80 PolarHBondContact O-N 3.41Å; K71-F116 HydrophobicContact CB-CE2 3.84Å; K71-F116 HydrophobicContact CB-CZ 4.32Å; K71-F116 HydrophobicContact CD-CE2 4.24Å; K71-F116 HydrophobicContact CG-CE2 4.1Å; K71-F116 HydrophobicContact CG-CZ 4.35Å; K71-F116 PolarHBondContact NZ-O 3.26Å; K71-F116 VanDerWaalsContact NZ-O 3.12Å; K71-W118 PolarHBondContact O-NE1 3.13Å |
| 72 | F | 92.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 149.3 | 172.5 | -91.2 | -60.5 | 0 | 0 | 0 | 111 | D29 N32 F36 V48 F59 N76 I78 L79 F93 | D29-F72 PolarHBondContact OD2-N 3.01Å; N32-F72 PolarHBondContact ND2-O 3.06Å; F36-F72 AromaticContact CE1-CD2 3.67Å; F36-F72 HydrophobicContact CE1-CD2 3.67Å; F36-F72 AromaticContact CE1-CE2 3.87Å; F36-F72 HydrophobicContact CE1-CE2 3.87Å; F36-F72 HydrophobicContact CE1-CG 4.5Å; F36-F72 HydrophobicContact CZ-CB 4.28Å; F36-F72 AromaticContact CZ-CD2 3.41Å; F36-F72 HydrophobicContact CZ-CD2 3.41Å; F36-F72 VanDerWaalsContact CZ-CD2 3.41Å; F36-F72 HydrophobicContact CZ-CE2 4.08Å; F36-F72 HydrophobicContact CZ-CG 4.11Å; V48-F72 HydrophobicContact CB-CE2 4.4Å; V48-F72 HydrophobicContact CG1-CD2 4.32Å; V48-F72 HydrophobicContact CG1-CE2 4.34Å; V48-F72 HydrophobicContact CG2-CD2 4.47Å; V48-F72 HydrophobicContact CG2-CE2 3.85Å; F59-F72 HydrophobicContact CE1-CE2 4.01Å; F59-F72 AromaticContact CE1-CZ 3.74Å; F59-F72 HydrophobicContact CE1-CZ 3.74Å; F59-F72 HydrophobicContact CZ-CE2 4.48Å; F59-F72 HydrophobicContact CZ-CZ 4.1Å; F72-N76 HydrophobicContact CD1-CB 4.4Å; F72-N76 HydrophobicContact CG-CB 4.34Å; F72-I78 CarbonylContact C-O 3.53Å; F72-L79 HydrophobicContact CD1-CB 3.97Å; F72-L79 HydrophobicContact CD1-CD1 3.82Å; F72-L79 HydrophobicContact CD2-CD1 4.18Å; F72-L79 HydrophobicContact CE1-CB 3.66Å; F72-L79 HydrophobicContact CE1-CD1 3.76Å; F72-L79 HydrophobicContact CE1-CG 4.26Å; F72-L79 HydrophobicContact CE2-CD1 4.11Å; F72-L79 HydrophobicContact CG-CD1 4.02Å; F72-L79 HydrophobicContact CZ-CB 4.39Å; F72-L79 HydrophobicContact CZ-CD1 3.88Å; F72-F93 HydrophobicContact CE1-CD1 4.48Å; F72-F93 AromaticContact CE1-CD2 3.71Å; F72-F93 HydrophobicContact CE1-CD2 3.71Å; F72-F93 AromaticContact CE1-CE2 3.96Å; F72-F93 HydrophobicContact CE1-CE2 3.96Å; F72-F93 AromaticContact CE1-CG 3.99Å; F72-F93 HydrophobicContact CE1-CG 3.99Å; F72-F93 HydrophobicContact CE1-CZ 4.45Å; F72-F93 HydrophobicContact CZ-CD2 4.32Å; F72-F93 HydrophobicContact CZ-CE1 4.43Å; F72-F93 HydrophobicContact CZ-CE2 4.24Å; F72-F93 HydrophobicContact CZ-CG 4.45Å; F72-F93 HydrophobicContact CZ-CZ 4.29Å |
| 73 | S | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 157.8 | 165.2 | 78.1 | 0 | 0 | 0 | 0 | 110.6 | G75 N76 I78 W118 W121 | S73-G75 PolarHBondContact O-N 2.96Å; S73-G75 VanDerWaalsContact O-N 3.11Å; S73-N76 PolarHBondContact O-N 3.48Å; S73-I78 PolarHBondContact N-O 2.96Å; S73-I78 PolarHBondContact OG-N 3.39Å; S73-W118 VanDerWaalsContact CB-CE3 3.45Å; S73-W121 WeakPolarHBondContact CB-O 3.48Å; S73-W121 PolarHBondContact OG-O 3.28Å |
| 74 | I | 87.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 37.9 Ų | 37.9 | 36% | 0.359 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 120.9 | -178.7 | -54.1 | -175.2 | 0 | 0 | 0 | 109.5 | W121 | I74-W121 WeakPolarHBondContact O-CB 3.35Š|
| 75 | G | 85.3 | Confident | 89.5 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 57% | 0.567 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 18.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S73 K77 | S73-G75 PolarHBondContact O-N 2.96Å; S73-G75 VanDerWaalsContact O-N 3.11Å; G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.4Å |
| 76 | N | 87.9 | Confident | 89.9 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 57 | 33.4 | 171.5 | -59.5 | -4.8 | 0 | 0 | 0 | 114.6 | Q34 F72 S73 | Q34-N76 PolarHBondContact NE2-ND2 3.16Å; Q34-N76 VanDerWaalsContact NE2-ND2 3.16Å; Q34-N76 PolarHBondContact NE2-OD1 2.85Å; Q34-N76 PolarHBondContact OE1-OD1 2.95Å; F72-N76 HydrophobicContact CD1-CB 4.4Å; F72-N76 HydrophobicContact CG-CB 4.34Å; S73-N76 PolarHBondContact O-N 3.48Å |
| 77 | K | 88.3 | Confident | 90.3 | Very high | 86 Ų | 86 | 32.4 Ų | 32.4 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | trans | -88.2 | -35.3 | -175.4 | -68.1 | -174 | -177.9 | -180 | 0 | 113.8 | G75 F93 I94 W121 | G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.4Å; K77-F93 CarbonylContact O-C 3.59Å; K77-F93 WeakPolarHBondContact O-CA 3.25Å; K77-F93 PolarHBondContact O-N 3.13Å; K77-I94 HydrophobicContact CB-CD1 4.4Å; K77-I94 HydrophobicContact CB-CG1 3.9Å; K77-I94 HydrophobicContact CG-CG1 4.42Å; K77-I94 PolarHBondContact O-N 3.19Å; K77-W121 HydrophobicContact CD-CB 4.48Å; K77-W121 HydrophobicContact CD-CD2 4.38Å; K77-W121 HydrophobicContact CD-CE3 3.82Å; K77-W121 HydrophobicContact CD-CZ3 4.49Å | ||
| 78 | I | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.7 | -175.4 | -50.4 | 172.5 | 0 | 0 | 0 | 107.6 | F72 S73 F90 I91 W118 V137 P139 | F72-I78 CarbonylContact C-O 3.53Å; S73-I78 PolarHBondContact N-O 2.96Å; S73-I78 PolarHBondContact OG-N 3.39Å; I78-F90 HydrophobicContact CG2-CB 4.47Å; I78-F90 HydrophobicContact CG2-CD1 4.07Å; I78-I91 WeakPolarHBondContact CA-O 3.31Å; I78-W118 HydrophobicContact CB-CH2 3.85Å; I78-W118 HydrophobicContact CB-CZ2 4.21Å; I78-W118 HydrophobicContact CD1-CH2 4.31Å; I78-W118 HydrophobicContact CG2-CH2 3.8Å; I78-W118 HydrophobicContact CG2-CZ2 4.13Å; I78-V137 HydrophobicContact CD1-CB 4.17Å; I78-V137 HydrophobicContact CD1-CG1 3.86Å; I78-P139 HydrophobicContact CD1-CG 3.81Å |
| 79 | L | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132 | 172.5 | -174.8 | 69.6 | 0 | 0 | 0 | 109.1 | F36 F59 M61 I70 F72 V81 F90 I91 F93 | F36-L79 HydrophobicContact CE1-CD1 3.83Å; F36-L79 HydrophobicContact CZ-CD1 4.47Å; F59-L79 HydrophobicContact CE2-CD2 3.49Å; F59-L79 VanDerWaalsContact CE2-CD2 3.49Å; F59-L79 HydrophobicContact CZ-CD1 4.31Å; F59-L79 HydrophobicContact CZ-CD2 3.45Å; F59-L79 VanDerWaalsContact CZ-CD2 3.45Å; F59-L79 HydrophobicContact CZ-CG 4.5Å; M61-L79 HydrophobicContact CE-CD2 4.31Å; M61-L79 HydrophobicContact SD-CD2 3.8Å; I70-L79 HydrophobicContact CD1-CD1 4.07Å; I70-L79 HydrophobicContact CD1-CD2 4.18Å; I70-L79 HydrophobicContact CD1-CG 4.45Å; I70-L79 HydrophobicContact CG1-CD1 3.73Å; I70-L79 HydrophobicContact CG1-CG 4.35Å; F72-L79 HydrophobicContact CD1-CB 3.97Å; F72-L79 HydrophobicContact CD1-CD1 3.82Å; F72-L79 HydrophobicContact CD2-CD1 4.18Å; F72-L79 HydrophobicContact CE1-CB 3.66Å; F72-L79 HydrophobicContact CE1-CD1 3.76Å; F72-L79 HydrophobicContact CE1-CG 4.26Å; F72-L79 HydrophobicContact CE2-CD1 4.11Å; F72-L79 HydrophobicContact CG-CD1 4.02Å; F72-L79 HydrophobicContact CZ-CB 4.39Å; F72-L79 HydrophobicContact CZ-CD1 3.88Å; L79-V81 HydrophobicContact CD2-CG2 3.85Å; L79-V81 HydrophobicContact CG-CG2 3.85Å; L79-F90 CarbonylContact O-C 3.57Å; L79-F90 VanDerWaalsContact O-CA 3.27Å; L79-F90 WeakPolarHBondContact O-CA 3.21Å; L79-I91 HydrophobicContact CB-CB 4.26Å; L79-I91 HydrophobicContact CD2-CD1 4.26Å; L79-I91 PolarHBondContact N-O 3.39Å; L79-I91 PolarHBondContact O-N 2.98Å; L79-F93 HydrophobicContact CB-CD2 3.91Å; L79-F93 HydrophobicContact CB-CE2 3.58Å; L79-F93 HydrophobicContact CD2-CE2 3.91Å; L79-F93 HydrophobicContact CD2-CZ 4.36Å; L79-F93 HydrophobicContact CG-CE2 4.39Å |
| 80 | A | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I70 K71 V88 D89 F90 F116 W118 I124 | I70-A80 WeakPolarHBondContact CA-O 3.45Å; K71-A80 PolarHBondContact N-O 2.77Å; K71-A80 PolarHBondContact O-N 3.41Å; A80-V88 HydrophobicContact CB-CG1 3.9Å; A80-D89 CarbonylContact C-O 3.53Å; A80-D89 WeakPolarHBondContact CA-O 3.5Å; A80-F90 HydrophobicContact CB-CD1 4.06Å; A80-F90 HydrophobicContact CB-CE1 3.87Å; A80-F116 HydrophobicContact CB-CD2 4.14Å; A80-F116 HydrophobicContact CB-CE2 3.41Å; A80-F116 VanDerWaalsContact CB-CE2 3.41Å; A80-F116 HydrophobicContact CB-CZ 3.66Å; A80-F116 WeakPolarHBondContact O-CZ 3.5Å; A80-W118 HydrophobicContact CB-CZ2 3.66Å; A80-I124 HydrophobicContact CB-CD1 4.01Å |
| 81 | V | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.4 | -178 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | M61 V67 I70 L79 R83 D89 | M61-V81 HydrophobicContact CE-CB 4.2Å; M61-V81 HydrophobicContact CE-CG1 4.28Å; M61-V81 HydrophobicContact CE-CG2 3.5Å; M61-V81 HydrophobicContact SD-CG2 4.15Å; V67-V81 HydrophobicContact CG1-CG1 3.88Å; V67-V81 HydrophobicContact CG2-CG1 4.02Å; I70-V81 HydrophobicContact CD1-CG2 3.89Å; I70-V81 HydrophobicContact CG1-CG2 3.95Å; L79-V81 HydrophobicContact CD2-CG2 3.85Å; L79-V81 HydrophobicContact CG-CG2 3.85Å; V81-R83 HydrophobicContact CG1-CG 4.06Å; V81-D89 PolarHBondContact N-O 3.06Å; V81-D89 PolarHBondContact O-N 3.09Å |
| 82 | Q | 92.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110.2 | 173.3 | -176.4 | -173.9 | 1.4 | 0 | 0 | 109.3 | K68 C69 T84 V88 I113 F116 | K68-Q82 HydrophobicContact CB-CG 4.48Å; K68-Q82 WeakPolarHBondContact CB-O 3.42Å; K68-Q82 PolarHBondContact N-O 3.06Å; C69-Q82 HydrophobicContact CB-CB 4.1Å; C69-Q82 PolarHBondContact N-O 3.48Å; C69-Q82 PolarHBondContact O-N 3.03Å; Q82-T84 WeakPolarHBondContact CG-O 3.43Å; Q82-T84 PolarHBondContact NE2-O 3.22Å; Q82-V88 HydrophobicContact CB-CG2 4.42Å; Q82-I113 PolarHBondContact NE2-O 2.99Å; Q82-F116 HydrophobicContact CB-CD1 4.31Å; Q82-F116 HydrophobicContact CB-CE1 3.85Å |
| 83 | R | 88.7 | Confident | 90.1 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | trans | -101.4 | -37.3 | 173 | -60.6 | 176.5 | 177.6 | 121.3 | -15.3 | 111.4 | M61 D62 V81 D89 E101 | M61-R83 VanDerWaalsContact CE-NH2 3.26Å; D62-R83 PolarHBondContact O-NH2 3.35Å; V81-R83 HydrophobicContact CG1-CG 4.06Å; R83-D89 IonicContact CZ-OD2 2.7Å; R83-D89 IonicContact NH1-OD2 3.92Å; R83-D89 PolarHBondContact NH1-OD2 3.25Å; R83-E101 IonicContact CZ-OE1 3.38Å; R83-E101 IonicContact NH1-OE1 2.77Å; R83-E101 IonicContact NH1-OE2 2.69Å; R83-E101 PolarHBondContact NH1-OE2 2.97Å; R83-E101 IonicContact NH2-OE1 3.18Å; R83-E101 PolarHBondContact NH2-OE1 3.26Å; R83-E101 VanDerWaalsContact NH2-OE1 3.11Å | ||
| 84 | T | 88.8 | Confident | 89.5 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 34% | 0.344 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -105.5 | 158 | 179.5 | 86.4 | 0 | 0 | 0 | 0 | 111.2 | Q82 K86 S87 | Q82-T84 WeakPolarHBondContact CG-O 3.43Å; Q82-T84 PolarHBondContact NE2-O 3.22Å; T84-K86 PolarHBondContact O-N 2.94Å; T84-K86 PolarHBondContact OG1-N 3.42Å; T84-S87 PolarHBondContact OG1-N 3.35Å; T84-S87 PolarHBondContact OG1-OG 3.03Å |
| 85 | P | 87.7 | Confident | 88.5 | Confident | 58 Ų | 58 | 31.7 Ų | 31.7 | 38% | 0.377 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -73.2 | -0.4 | 173 | 30.8 | -34.2 | 0 | 0 | 0 | 113.4 | S112 I113 | P85-S112 CarbonylContact O-C 3.54Å; P85-S112 WeakPolarHBondContact O-CA 3.44Å; P85-I113 PolarHBondContact O-N 3.48Å |
| 86 | K | 89.6 | Confident | 87.6 | Confident | 112 Ų | 112 | 37 Ų | 37 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -121.8 | -14.8 | -173.8 | -64.5 | -167.3 | 177.1 | -163.2 | 0 | 114.5 | T84 E105 C106 K109 | T84-K86 PolarHBondContact O-N 2.94Å; T84-K86 PolarHBondContact OG1-N 3.42Å; K86-E105 WeakPolarHBondContact O-CA 3.4Å; K86-C106 PolarHBondContact O-N 3.09Å; K86-K109 PolarHBondContact NZ-O 3.2Å |
| 87 | S | 91.4 | Very high | 86.7 | Confident | 15 Ų | 15 | 39 Ų | 39 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.8 | -175.6 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | T84 Q104 | T84-S87 PolarHBondContact OG1-N 3.35Å; T84-S87 PolarHBondContact OG1-OG 3.03Å; S87-Q104 VanDerWaalsContact CA-O 3.24Å; S87-Q104 WeakPolarHBondContact CA-O 3.33Å |
| 88 | V | 92.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.8 | 169.6 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | A80 Q82 F90 S103 Q104 I113 F116 F126 | A80-V88 HydrophobicContact CB-CG1 3.9Å; Q82-V88 HydrophobicContact CB-CG2 4.42Å; V88-F90 HydrophobicContact CB-CE2 4.13Å; V88-F90 HydrophobicContact CB-CZ 4.3Å; V88-F90 HydrophobicContact CG1-CE1 4.49Å; V88-F90 HydrophobicContact CG1-CE2 4.07Å; V88-F90 HydrophobicContact CG1-CZ 3.96Å; V88-F90 WeakPolarHBondContact O-CE2 3.47Å; V88-S103 WeakPolarHBondContact O-CA 3.33Å; V88-Q104 PolarHBondContact N-O 3.45Å; V88-Q104 PolarHBondContact O-N 3Å; V88-I113 HydrophobicContact CG2-CD1 3.77Å; V88-F116 HydrophobicContact CG1-CD1 4.25Å; V88-F116 HydrophobicContact CG1-CE1 4.17Å; V88-F116 HydrophobicContact CG2-CD1 4.1Å; V88-F126 HydrophobicContact CB-CE1 4.02Å; V88-F126 HydrophobicContact CB-CE2 4.43Å; V88-F126 HydrophobicContact CB-CZ 3.68Å; V88-F126 HydrophobicContact CG1-CE1 4.38Å; V88-F126 HydrophobicContact CG1-CZ 4.41Å; V88-F126 HydrophobicContact CG2-CD1 4.36Å; V88-F126 HydrophobicContact CG2-CE1 3.77Å; V88-F126 HydrophobicContact CG2-CE2 4.2Å; V88-F126 HydrophobicContact CG2-CZ 3.69Å |
| 89 | D | 92.5 | Very high | 84.9 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 144.8 | 177.3 | -56.9 | -30.4 | 0 | 0 | 0 | 109.8 | A80 V81 R83 F102 S103 | A80-D89 CarbonylContact C-O 3.53Å; A80-D89 WeakPolarHBondContact CA-O 3.5Å; V81-D89 PolarHBondContact N-O 3.06Å; V81-D89 PolarHBondContact O-N 3.09Å; R83-D89 IonicContact CZ-OD2 2.7Å; R83-D89 IonicContact NH1-OD2 3.92Å; R83-D89 PolarHBondContact NH1-OD2 3.25Å; D89-F102 CarbonylContact C-O 3.6Å; D89-S103 VanDerWaalsContact OD1-CB 3.25Å; D89-S103 WeakPolarHBondContact OD1-CB 3.31Å; D89-S103 PolarHBondContact OD1-OG 3.47Å |
| 90 | F | 92.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.9 | -176.7 | -65 | -90.1 | 0 | 0 | 0 | 111 | I78 L79 A80 V88 E101 F102 Q104 W118 I124 F126 V137 L144 | I78-F90 HydrophobicContact CG2-CB 4.47Å; I78-F90 HydrophobicContact CG2-CD1 4.07Å; L79-F90 CarbonylContact O-C 3.57Å; L79-F90 VanDerWaalsContact O-CA 3.27Å; L79-F90 WeakPolarHBondContact O-CA 3.21Å; A80-F90 HydrophobicContact CB-CD1 4.06Å; A80-F90 HydrophobicContact CB-CE1 3.87Å; V88-F90 HydrophobicContact CB-CE2 4.13Å; V88-F90 HydrophobicContact CB-CZ 4.3Å; V88-F90 HydrophobicContact CG1-CE1 4.49Å; V88-F90 HydrophobicContact CG1-CE2 4.07Å; V88-F90 HydrophobicContact CG1-CZ 3.96Å; V88-F90 WeakPolarHBondContact O-CE2 3.47Å; F90-E101 VanDerWaalsContact O-CA 3.32Å; F90-E101 WeakPolarHBondContact O-CA 3.06Å; F90-F102 HydrophobicContact CB-CD1 4.09Å; F90-F102 HydrophobicContact CB-CD2 3.99Å; F90-F102 HydrophobicContact CB-CE1 3.67Å; F90-F102 HydrophobicContact CB-CE2 3.55Å; F90-F102 HydrophobicContact CB-CG 4.24Å; F90-F102 HydrophobicContact CB-CZ 3.38Å; F90-F102 HydrophobicContact CD2-CD2 4.18Å; F90-F102 AromaticContact CD2-CE2 3.89Å; F90-F102 HydrophobicContact CD2-CE2 3.89Å; F90-F102 HydrophobicContact CG-CD2 4.4Å; F90-F102 AromaticContact CG-CE2 3.82Å; F90-F102 HydrophobicContact CG-CE2 3.82Å; F90-F102 HydrophobicContact CG-CZ 4.01Å; F90-F102 PolarHBondContact N-O 3.15Å; F90-F102 PolarHBondContact O-N 3.24Å; F90-Q104 HydrophobicContact CE2-CB 3.88Å; F90-W118 HydrophobicContact CD1-CH2 4.19Å; F90-W118 HydrophobicContact CD1-CZ2 4.27Å; F90-W118 AromaticContact CE1-CH2 3.98Å; F90-W118 HydrophobicContact CE1-CH2 3.98Å; F90-W118 HydrophobicContact CE1-CZ2 4.06Å; F90-I124 HydrophobicContact CE1-CD1 3.7Å; F90-I124 HydrophobicContact CE1-CG2 4.43Å; F90-I124 HydrophobicContact CZ-CD1 3.96Å; F90-I124 HydrophobicContact CZ-CG2 4.38Å; F90-F126 HydrophobicContact CE2-CZ 4.14Å; F90-F126 HydrophobicContact CZ-CE1 4.05Å; F90-F126 AromaticContact CZ-CZ 3.83Å; F90-F126 HydrophobicContact CZ-CZ 3.83Å; F90-V137 HydrophobicContact CE1-CG2 4.11Å; F90-L144 HydrophobicContact CD2-CD1 3.99Å; F90-L144 HydrophobicContact CE1-CD2 4.34Å; F90-L144 HydrophobicContact CE2-CD1 3.77Å; F90-L144 HydrophobicContact CE2-CD2 3.72Å; F90-L144 HydrophobicContact CE2-CG 4.41Å; F90-L144 HydrophobicContact CZ-CD1 4.21Å; F90-L144 HydrophobicContact CZ-CD2 3.51Å; F90-L144 HydrophobicContact CZ-CG 4.43Å |
| 91 | I | 90.5 | Very high | 83.6 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.1 | 173.8 | -59.9 | 170.4 | 0 | 0 | 0 | 108.7 | M61 I78 L79 F93 H99 E101 | M61-I91 HydrophobicContact CE-CD1 3.41Å; M61-I91 VanDerWaalsContact CE-CD1 3.41Å; M61-I91 HydrophobicContact CG-CD1 4.19Å; M61-I91 HydrophobicContact SD-CD1 4.24Å; I78-I91 WeakPolarHBondContact CA-O 3.31Å; L79-I91 HydrophobicContact CB-CB 4.26Å; L79-I91 HydrophobicContact CD2-CD1 4.26Å; L79-I91 PolarHBondContact N-O 3.39Å; L79-I91 PolarHBondContact O-N 2.98Å; I91-F93 HydrophobicContact CB-CD2 4.4Å; I91-F93 HydrophobicContact CB-CE2 3.93Å; I91-F93 HydrophobicContact CG2-CD2 3.97Å; I91-F93 HydrophobicContact CG2-CE2 3.52Å; I91-F93 HydrophobicContact CG2-CZ 4.26Å; I91-H99 HydrophobicContact CG2-CB 4.35Å; I91-E101 HydrophobicContact CD1-CG 3.79Å; I91-E101 HydrophobicContact CG1-CG 3.45Å; I91-E101 VanDerWaalsContact CG1-CG 3.45Å |
| 92 | N | 88.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.1 | 175 | -66.9 | -26.9 | 0 | 0 | 0 | 110.3 | H99 P139 | N92-H99 PolarHBondContact O-ND1 3.38Å; N92-P139 PolarHBondContact ND2-O 3.29Å |
| 93 | F | 85.3 | Confident | 83.3 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 21% | 0.211 | 29% | 0.29 | C | S | . | . | trans | -113.5 | 13.9 | 172.8 | -79.1 | -98.7 | 0 | 0 | 0 | 111.9 | F59 F72 K77 L79 I91 | F59-F93 HydrophobicContact CB-CE1 4.29Å; F59-F93 HydrophobicContact CB-CZ 4.49Å; F59-F93 AromaticContact CD1-CE1 3.97Å; F59-F93 HydrophobicContact CD1-CE1 3.97Å; F59-F93 AromaticContact CD1-CZ 3.98Å; F59-F93 HydrophobicContact CD1-CZ 3.98Å; F59-F93 HydrophobicContact CD2-CE1 4.27Å; F59-F93 AromaticContact CD2-CZ 3.66Å; F59-F93 HydrophobicContact CD2-CZ 3.66Å; F59-F93 HydrophobicContact CE1-CE1 4.36Å; F59-F93 HydrophobicContact CE1-CZ 4.06Å; F59-F93 HydrophobicContact CE2-CE2 4.47Å; F59-F93 AromaticContact CE2-CZ 3.74Å; F59-F93 HydrophobicContact CE2-CZ 3.74Å; F59-F93 AromaticContact CG-CE1 3.92Å; F59-F93 HydrophobicContact CG-CE1 3.92Å; F59-F93 AromaticContact CG-CZ 3.78Å; F59-F93 HydrophobicContact CG-CZ 3.78Å; F59-F93 AromaticContact CZ-CZ 3.95Å; F59-F93 HydrophobicContact CZ-CZ 3.95Å; F72-F93 HydrophobicContact CE1-CD1 4.48Å; F72-F93 AromaticContact CE1-CD2 3.71Å; F72-F93 HydrophobicContact CE1-CD2 3.71Å; F72-F93 AromaticContact CE1-CE2 3.96Å; F72-F93 HydrophobicContact CE1-CE2 3.96Å; F72-F93 AromaticContact CE1-CG 3.99Å; F72-F93 HydrophobicContact CE1-CG 3.99Å; F72-F93 HydrophobicContact CE1-CZ 4.45Å; F72-F93 HydrophobicContact CZ-CD2 4.32Å; F72-F93 HydrophobicContact CZ-CE1 4.43Å; F72-F93 HydrophobicContact CZ-CE2 4.24Å; F72-F93 HydrophobicContact CZ-CG 4.45Å; F72-F93 HydrophobicContact CZ-CZ 4.29Å; K77-F93 CarbonylContact O-C 3.59Å; K77-F93 WeakPolarHBondContact O-CA 3.25Å; K77-F93 PolarHBondContact O-N 3.13Å; L79-F93 HydrophobicContact CB-CD2 3.91Å; L79-F93 HydrophobicContact CB-CE2 3.58Å; L79-F93 HydrophobicContact CD2-CE2 3.91Å; L79-F93 HydrophobicContact CD2-CZ 4.36Å; L79-F93 HydrophobicContact CG-CE2 4.39Å; I91-F93 HydrophobicContact CB-CD2 4.4Å; I91-F93 HydrophobicContact CB-CE2 3.93Å; I91-F93 HydrophobicContact CG2-CD2 3.97Å; I91-F93 HydrophobicContact CG2-CE2 3.52Å; I91-F93 HydrophobicContact CG2-CZ 4.26Å | ||
| 94 | I | 80.7 | Confident | 83.4 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -75 | 129.8 | 176.4 | -54.2 | 175.8 | 0 | 0 | 0 | 108.4 | K77 D96 Y97 P139 | K77-I94 HydrophobicContact CB-CD1 4.4Å; K77-I94 HydrophobicContact CB-CG1 3.9Å; K77-I94 HydrophobicContact CG-CG1 4.42Å; K77-I94 PolarHBondContact O-N 3.19Å; I94-D96 PolarHBondContact O-N 3.47Å; I94-Y97 HydrophobicContact CB-CD2 3.95Å; I94-Y97 HydrophobicContact CG2-CD2 3.94Å; I94-Y97 HydrophobicContact CG2-CE2 4.23Å; I94-Y97 PolarHBondContact O-N 2.78Å; I94-P139 HydrophobicContact CD1-CB 4.16Å; I94-P139 HydrophobicContact CD1-CG 4.01Å |
| 95 | P | 66.3 | Low | 83.4 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 140.4 | 170.3 | -20.3 | 30.9 | 0 | 0 | 0 | 109.5 | ||
| 96 | D | 66.4 | Low | 83.2 | Confident | 166 Ų | 166 | 57.6 Ų | 57.6 | 89% | 0.888 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -13.3 | -176.9 | -44.7 | -38.9 | 0 | 0 | 0 | 116.9 | I94 | I94-D96 PolarHBondContact O-N 3.47Š|
| 97 | Y | 67.3 | Low | 82.8 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -102.5 | 139 | 174.3 | -68.8 | -88.6 | 0 | 0 | 0 | 112.3 | I94 D140 | I94-Y97 HydrophobicContact CB-CD2 3.95Å; I94-Y97 HydrophobicContact CG2-CD2 3.94Å; I94-Y97 HydrophobicContact CG2-CE2 4.23Å; I94-Y97 PolarHBondContact O-N 2.78Å; Y97-D140 HydrophobicContact CE1-CB 4.45Å; Y97-D140 VanDerWaalsContact CE1-OD1 3.27Å; Y97-D140 WeakPolarHBondContact CE1-OD1 3.42Å; Y97-D140 PolarHBondContact OH-OD1 3.22Å |
| 98 | P | 69.6 | Low | 82.1 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | trans | -63.7 | 140.7 | 171.2 | 27.5 | -34.5 | 0 | 0 | 0 | 110.4 | L100 | P98-L100 HydrophobicContact CB-CD1 3.74Å; P98-L100 HydrophobicContact CB-CG 4.18Å; P98-L100 HydrophobicContact CG-CD1 3.68Å; P98-L100 HydrophobicContact CG-CG 4.47Å; P98-L100 PolarHBondContact O-N 2.87Å | ||
| 99 | H | 73.2 | Confident | 81.2 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 59% | 0.593 | 35% | 0.351 | S | S | * | . | trans | -70.4 | 54.1 | 174.7 | -62.5 | -65.1 | 0 | 0 | 0 | 112.2 | I91 N92 | I91-H99 HydrophobicContact CG2-CB 4.35Å; N92-H99 PolarHBondContact O-ND1 3.38Å | ||
| 100 | L | 76.1 | Confident | 80.7 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 44% | 0.44 | 38% | 0.382 | S | S | . | . | trans | -90.4 | 128.7 | 179.3 | -80.4 | 156.6 | 0 | 0 | 0 | 110.1 | P98 | P98-L100 HydrophobicContact CB-CD1 3.74Å; P98-L100 HydrophobicContact CB-CG 4.18Å; P98-L100 HydrophobicContact CG-CD1 3.68Å; P98-L100 HydrophobicContact CG-CG 4.47Å; P98-L100 PolarHBondContact O-N 2.87Å | ||
| 101 | E | 83 | Confident | 80.4 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 23% | 0.229 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136.9 | 175.1 | -77.9 | -175 | 175.7 | 0 | 0 | 111.2 | K64 R83 F90 I91 | K64-E101 IonicContact NZ-OE2 2.66Å; K64-E101 PolarHBondContact NZ-OE2 3.39Å; R83-E101 IonicContact CZ-OE1 3.38Å; R83-E101 IonicContact NH1-OE1 2.77Å; R83-E101 IonicContact NH1-OE2 2.69Å; R83-E101 PolarHBondContact NH1-OE2 2.97Å; R83-E101 IonicContact NH2-OE1 3.18Å; R83-E101 PolarHBondContact NH2-OE1 3.26Å; R83-E101 VanDerWaalsContact NH2-OE1 3.11Å; F90-E101 VanDerWaalsContact O-CA 3.32Å; F90-E101 WeakPolarHBondContact O-CA 3.06Å; I91-E101 HydrophobicContact CD1-CG 3.79Å; I91-E101 HydrophobicContact CG1-CG 3.45Å; I91-E101 VanDerWaalsContact CG1-CG 3.45Å |
| 102 | F | 89.3 | Confident | 80.4 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 9% | 0.088 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.5 | 166.6 | 62.6 | -84.9 | 0 | 0 | 0 | 110.6 | D89 F90 V137 R142 L144 | D89-F102 CarbonylContact C-O 3.6Å; F90-F102 HydrophobicContact CB-CD1 4.09Å; F90-F102 HydrophobicContact CB-CD2 3.99Å; F90-F102 HydrophobicContact CB-CE1 3.67Å; F90-F102 HydrophobicContact CB-CE2 3.55Å; F90-F102 HydrophobicContact CB-CG 4.24Å; F90-F102 HydrophobicContact CB-CZ 3.38Å; F90-F102 HydrophobicContact CD2-CD2 4.18Å; F90-F102 AromaticContact CD2-CE2 3.89Å; F90-F102 HydrophobicContact CD2-CE2 3.89Å; F90-F102 HydrophobicContact CG-CD2 4.4Å; F90-F102 AromaticContact CG-CE2 3.82Å; F90-F102 HydrophobicContact CG-CE2 3.82Å; F90-F102 HydrophobicContact CG-CZ 4.01Å; F90-F102 PolarHBondContact N-O 3.15Å; F90-F102 PolarHBondContact O-N 3.24Å; F102-V137 HydrophobicContact CE2-CG1 4.35Å; F102-V137 HydrophobicContact CZ-CG1 3.99Å; F102-R142 HydrophobicContact CB-CB 4.08Å; F102-R142 HydrophobicContact CD1-CB 3.83Å; F102-R142 HydrophobicContact CD1-CG 4.15Å; F102-R142 VanDerWaalsContact CD2-C 3.49Å; F102-R142 HydrophobicContact CD2-CB 4.38Å; F102-R142 WeakPolarHBondContact CD2-O 3.29Å; F102-R142 HydrophobicContact CE1-CB 4.35Å; F102-R142 HydrophobicContact CG-CB 3.84Å; F102-L144 HydrophobicContact CD2-CD1 4.25Å; F102-L144 HydrophobicContact CE2-CD1 3.65Å |
| 103 | S | 88.8 | Confident | 80.7 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.9 | -172.2 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | V88 D89 | V88-S103 WeakPolarHBondContact O-CA 3.33Å; D89-S103 VanDerWaalsContact OD1-CB 3.25Å; D89-S103 WeakPolarHBondContact OD1-CB 3.31Å; D89-S103 PolarHBondContact OD1-OG 3.47Å |
| 104 | Q | 90.6 | Very high | 81 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.8 | 168.8 | -176.9 | 60.5 | 53.7 | 0 | 0 | 109.7 | S87 V88 F90 F126 L144 | S87-Q104 VanDerWaalsContact CA-O 3.24Å; S87-Q104 WeakPolarHBondContact CA-O 3.33Å; V88-Q104 PolarHBondContact N-O 3.45Å; V88-Q104 PolarHBondContact O-N 3Å; F90-Q104 HydrophobicContact CE2-CB 3.88Å; Q104-F126 HydrophobicContact CB-CE2 4.17Å; Q104-F126 HydrophobicContact CB-CZ 4.24Å; Q104-F126 HydrophobicContact CG-CE2 3.84Å; Q104-F126 HydrophobicContact CG-CZ 4.29Å; Q104-L144 HydrophobicContact CB-CD1 3.97Å; Q104-L144 HydrophobicContact CB-CD2 3.96Å; Q104-L144 HydrophobicContact CB-CG 4.41Å; Q104-L144 HydrophobicContact CG-CB 4.25Å; Q104-L144 HydrophobicContact CG-CD1 4.42Å; Q104-L144 HydrophobicContact CG-CD2 3.92Å; Q104-L144 HydrophobicContact CG-CG 4.4Å |
| 105 | E | 89.3 | Confident | 81.5 | Confident | 140 Ų | 140 | 76.9 Ų | 76.9 | 65% | 0.654 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 150.8 | 169.7 | -65.1 | -174.6 | 174.5 | 0 | 0 | 111.2 | K86 | K86-E105 WeakPolarHBondContact O-CA 3.4Å |
| 106 | C | 83.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 72 Ų | 72 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | trans | -58.5 | 141.4 | 169.6 | -78.7 | 0 | 0 | 0 | 0 | 111.6 | K86 M108 I113 | K86-C106 PolarHBondContact O-N 3.09Å; C106-M108 PolarHBondContact O-N 3.46Å; C106-I113 WeakPolarHBondContact SG-CD1 3.2Å; C106-I113 WeakPolarHBondContact SG-CG1 3.45Å | ||
| 107 | K | 81.2 | Confident | 84.2 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 64% | 0.635 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -65.8 | -32.1 | 177 | -174.6 | 177.5 | 177.4 | -179.4 | 0 | 111.5 | E133 L146 | K107-E133 WeakPolarHBondContact CB-OE1 3.07Å; K107-E133 PolarHBondContact N-OE1 2.85Å; K107-E133 VanDerWaalsContact N-OE1 3.14Å; K107-E133 PolarHBondContact N-OE2 3.36Å; K107-L146 HydrophobicContact CD-CD2 3.95Å |
| 108 | M | 77.6 | Confident | 85.5 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -91.1 | 109.1 | -176.2 | -151.6 | 173.9 | -57.4 | 0 | 0 | 110.6 | C106 N110 A111 Q130 | C106-M108 PolarHBondContact O-N 3.46Å; M108-N110 PolarHBondContact O-N 3.45Å; M108-A111 HydrophobicContact CB-CB 3.75Å; M108-A111 HydrophobicContact CG-CB 4.27Å; M108-A111 PolarHBondContact O-N 2.9Å; M108-A111 HydrophobicContact SD-CB 4.48Å; M108-Q130 HydrophobicContact CE-CB 4.42Å; M108-Q130 HydrophobicContact SD-CB 3.54Å; M108-Q130 VanDerWaalsContact SD-CB 3.54Å; M108-Q130 HydrophobicContact SD-CG 4.33Å; M108-Q130 PolarHBondContact SD-OE1 3.39Å |
| 109 | K | 73.7 | Confident | 86.5 | Confident | 180 Ų | 180 | 58 Ų | 58 | 78% | 0.783 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28 | -169.6 | -65.6 | -175.2 | 177.3 | -176.6 | 0 | 115.2 | K86 | K86-K109 PolarHBondContact NZ-O 3.2Š|
| 110 | N | 81.8 | Confident | 87.3 | Confident | 136 Ų | 136 | 54 Ų | 54 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 1.4 | -177.2 | -66.4 | -4.5 | 0 | 0 | 0 | 113.2 | M108 Q130 | M108-N110 PolarHBondContact O-N 3.45Å; N110-Q130 PolarHBondContact O-NE2 2.86Å; N110-Q130 VanDerWaalsContact O-NE2 3.08Å |
| 111 | A | 86.3 | Confident | 87.9 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | trans | -85.8 | 150.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M108 T128 D129 Q130 | M108-A111 HydrophobicContact CB-CB 3.75Å; M108-A111 HydrophobicContact CG-CB 4.27Å; M108-A111 PolarHBondContact O-N 2.9Å; M108-A111 HydrophobicContact SD-CB 4.48Å; A111-T128 HydrophobicContact CB-CG2 4.39Å; A111-D129 VanDerWaalsContact CA-OD1 3.24Å; A111-D129 WeakPolarHBondContact CA-OD1 3.45Å; A111-D129 WeakPolarHBondContact CB-OD1 3.09Å; A111-Q130 HydrophobicContact CB-CB 4.1Å; A111-Q130 HydrophobicContact CB-CG 4.37Å | ||
| 112 | S | 91.1 | Very high | 88.3 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | trans | -116.2 | 135.2 | 173.9 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | P85 L114 T128 D129 | P85-S112 CarbonylContact O-C 3.54Å; P85-S112 WeakPolarHBondContact O-CA 3.44Å; S112-L114 PolarHBondContact O-N 3.01Å; S112-T128 CarbonylContact O-C 3.52Å; S112-T128 WeakPolarHBondContact O-CA 3.47Å; S112-T128 WeakPolarHBondContact O-CB 3.48Å; S112-D129 PolarHBondContact N-OD1 2.8Å; S112-D129 PolarHBondContact N-OD2 2.67Å; S112-D129 PolarHBondContact O-N 3.13Å; S112-D129 VanDerWaalsContact OG-CG 3.26Å; S112-D129 PolarHBondContact OG-OD2 3.27Å | ||
| 113 | I | 93.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 113.6 | 178.6 | -58.2 | 176.3 | 0 | 0 | 0 | 108.7 | Q82 P85 V88 C106 F126 T128 | Q82-I113 PolarHBondContact NE2-O 2.99Å; P85-I113 PolarHBondContact O-N 3.48Å; V88-I113 HydrophobicContact CG2-CD1 3.77Å; C106-I113 WeakPolarHBondContact SG-CD1 3.2Å; C106-I113 WeakPolarHBondContact SG-CG1 3.45Å; I113-F126 HydrophobicContact CD1-CD2 4.49Å; I113-T128 HydrophobicContact CG1-CG2 4.29Å |
| 114 | L | 92 | Very high | 88.8 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 36% | 0.356 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -34.2 | 170.3 | -60.2 | 178.5 | 0 | 0 | 0 | 110.7 | S112 I127 V154 Y157 | S112-L114 PolarHBondContact O-N 3.01Å; L114-I127 HydrophobicContact CB-CG2 4.47Å; L114-I127 HydrophobicContact CD1-CG2 4.38Å; L114-I127 PolarHBondContact N-O 2.94Å; L114-V154 HydrophobicContact CD1-CB 4.04Å; L114-V154 HydrophobicContact CD1-CG1 3.72Å; L114-Y157 HydrophobicContact CB-CD1 4.17Å; L114-Y157 HydrophobicContact CB-CE1 4.06Å |
| 115 | G | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -169.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | I127 Y157 | G115-I127 PolarHBondContact N-O 3.26Å; G115-I127 PolarHBondContact O-N 3.28Å; G115-Y157 WeakPolarHBondContact CA-OH 3.35Å |
| 116 | F | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 155.7 | -178.7 | 64.2 | -92.5 | 0 | 0 | 0 | 112.1 | C69 K71 A80 Q82 V88 I124 V125 F126 | C69-F116 HydrophobicContact CB-CE1 3.88Å; K71-F116 HydrophobicContact CB-CE2 3.84Å; K71-F116 HydrophobicContact CB-CZ 4.32Å; K71-F116 HydrophobicContact CD-CE2 4.24Å; K71-F116 HydrophobicContact CG-CE2 4.1Å; K71-F116 HydrophobicContact CG-CZ 4.35Å; K71-F116 PolarHBondContact NZ-O 3.26Å; K71-F116 VanDerWaalsContact NZ-O 3.12Å; A80-F116 HydrophobicContact CB-CD2 4.14Å; A80-F116 HydrophobicContact CB-CE2 3.41Å; A80-F116 VanDerWaalsContact CB-CE2 3.41Å; A80-F116 HydrophobicContact CB-CZ 3.66Å; A80-F116 WeakPolarHBondContact O-CZ 3.5Å; Q82-F116 HydrophobicContact CB-CD1 4.31Å; Q82-F116 HydrophobicContact CB-CE1 3.85Å; V88-F116 HydrophobicContact CG1-CD1 4.25Å; V88-F116 HydrophobicContact CG1-CE1 4.17Å; V88-F116 HydrophobicContact CG2-CD1 4.1Å; F116-I124 HydrophobicContact CB-CD1 4.27Å; F116-I124 HydrophobicContact CB-CG1 4.36Å; F116-I124 HydrophobicContact CD2-CD1 3.65Å; F116-I124 HydrophobicContact CD2-CG1 4.3Å; F116-I124 HydrophobicContact CE2-CD1 4.33Å; F116-I124 HydrophobicContact CG-CD1 4.17Å; F116-V125 WeakPolarHBondContact CA-O 3.33Å; F116-V125 WeakPolarHBondContact CB-O 3.44Å; F116-F126 HydrophobicContact CB-CD1 3.83Å; F116-F126 HydrophobicContact CB-CE1 4.28Å |
| 117 | C | 94.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.3 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | V125 Y159 I166 | C117-V125 PolarHBondContact N-O 3.44Å; C117-V125 PolarHBondContact O-N 2.67Å; C117-Y159 HydrophobicContact CB-CD1 3.74Å; C117-Y159 HydrophobicContact CB-CD2 4.28Å; C117-Y159 HydrophobicContact CB-CE1 3.99Å; C117-Y159 HydrophobicContact CB-CG 3.89Å; C117-Y159 VanDerWaalsContact SG-CB 3.53Å; C117-I166 HydrophobicContact CB-CD1 4.38Å |
| 118 | W | 93.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.1 | 171.6 | -69.7 | 102.9 | 0 | 0 | 0 | 109.7 | K71 S73 I78 A80 F90 I124 V137 Y159 | K71-W118 PolarHBondContact O-NE1 3.13Å; S73-W118 VanDerWaalsContact CB-CE3 3.45Å; I78-W118 HydrophobicContact CB-CH2 3.85Å; I78-W118 HydrophobicContact CB-CZ2 4.21Å; I78-W118 HydrophobicContact CD1-CH2 4.31Å; I78-W118 HydrophobicContact CG2-CH2 3.8Å; I78-W118 HydrophobicContact CG2-CZ2 4.13Å; A80-W118 HydrophobicContact CB-CZ2 3.66Å; F90-W118 HydrophobicContact CD1-CH2 4.19Å; F90-W118 HydrophobicContact CD1-CZ2 4.27Å; F90-W118 AromaticContact CE1-CH2 3.98Å; F90-W118 HydrophobicContact CE1-CH2 3.98Å; F90-W118 HydrophobicContact CE1-CZ2 4.06Å; W118-I124 HydrophobicContact CD2-CB 4.24Å; W118-I124 HydrophobicContact CD2-CD1 4.11Å; W118-I124 HydrophobicContact CD2-CG1 4.23Å; W118-I124 HydrophobicContact CE3-CB 3.86Å; W118-I124 HydrophobicContact CE3-CD1 4.45Å; W118-I124 HydrophobicContact CE3-CG1 4.36Å; W118-I124 HydrophobicContact CH2-CB 4.44Å; W118-I124 HydrophobicContact CH2-CD1 4.24Å; W118-I124 HydrophobicContact CZ2-CD1 3.89Å; W118-I124 HydrophobicContact CZ3-CB 3.96Å; W118-V137 HydrophobicContact CH2-CG2 3.84Å; W118-V137 HydrophobicContact CZ3-CG2 3.79Å; W118-Y159 PolarHBondContact O-OH 2.7Å |
| 119 | T | 91.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 11% | 0.11 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -21.3 | 174.9 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | E123 V125 F182 | T119-E123 PolarHBondContact N-O 2.91Å; T119-E123 VanDerWaalsContact OG1-CB 3.23Å; T119-E123 WeakPolarHBondContact OG1-CB 3.37Å; T119-E123 PolarHBondContact OG1-O 3.44Å; T119-E123 PolarHBondContact OG1-OE2 2.91Å; T119-V125 HydrophobicContact CG2-CG2 3.64Å; T119-F182 HydrophobicContact CG2-CB 3.75Å; T119-F182 HydrophobicContact CG2-CD1 4.07Å; T119-F182 HydrophobicContact CG2-CD2 4.11Å; T119-F182 HydrophobicContact CG2-CG 3.7Å |
| 120 | N | 89.9 | Confident | 92 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 24% | 0.241 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 178.9 | 177.1 | -154.9 | -12.8 | 0 | 0 | 0 | 109.5 | N122 E123 | N120-N122 PolarHBondContact O-N 2.98Å; N120-E123 HydrophobicContact CB-CB 3.71Å; N120-E123 HydrophobicContact CB-CG 3.89Å; N120-E123 PolarHBondContact N-O 3.42Å; N120-E123 PolarHBondContact O-N 3.44Å |
| 121 | W | 89.6 | Confident | 92.5 | Very high | 91 Ų | 91 | 19.8 Ų | 19.8 | 35% | 0.345 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.7 | 178.8 | 73.4 | -90 | 0 | 0 | 0 | 114.1 | S73 I74 K77 | S73-W121 WeakPolarHBondContact CB-O 3.48Å; S73-W121 PolarHBondContact OG-O 3.28Å; I74-W121 WeakPolarHBondContact O-CB 3.35Å; K77-W121 HydrophobicContact CD-CB 4.48Å; K77-W121 HydrophobicContact CD-CD2 4.38Å; K77-W121 HydrophobicContact CD-CE3 3.82Å; K77-W121 HydrophobicContact CD-CZ3 4.49Å |
| 122 | N | 91.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 19.7 Ų | 19.7 | 10% | 0.096 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 13.5 | 178.6 | 65.6 | -14.4 | 0 | 0 | 0 | 113.6 | N120 Q136 V137 | N120-N122 PolarHBondContact O-N 2.98Å; N122-Q136 CarbonylContact O-C 3.57Å; N122-Q136 WeakPolarHBondContact O-CA 3.47Å; N122-V137 PolarHBondContact O-N 3.07Å |
| 123 | E | 93.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.6 | -178.9 | -66.8 | 172.9 | -163.5 | 0 | 0 | 109.5 | T119 N120 F134 G185 | T119-E123 PolarHBondContact N-O 2.91Å; T119-E123 VanDerWaalsContact OG1-CB 3.23Å; T119-E123 WeakPolarHBondContact OG1-CB 3.37Å; T119-E123 PolarHBondContact OG1-O 3.44Å; T119-E123 PolarHBondContact OG1-OE2 2.91Å; N120-E123 HydrophobicContact CB-CB 3.71Å; N120-E123 HydrophobicContact CB-CG 3.89Å; N120-E123 PolarHBondContact N-O 3.42Å; N120-E123 PolarHBondContact O-N 3.44Å; E123-F134 HydrophobicContact CB-CE2 3.94Å; E123-F134 HydrophobicContact CB-CZ 4.27Å; E123-F134 HydrophobicContact CG-CE2 4.46Å; E123-F134 HydrophobicContact CG-CZ 4.34Å; E123-G185 VanDerWaalsContact CD-N 3.27Å; E123-G185 PolarHBondContact OE1-N 3.36Å; E123-G185 PolarHBondContact OE2-N 2.93Å; E123-G185 VanDerWaalsContact OE2-N 3.08Å |
| 124 | I | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.1 | -175.7 | -168.5 | 168 | 0 | 0 | 0 | 110.6 | A80 F90 F116 W118 F126 Y135 V137 L144 | A80-I124 HydrophobicContact CB-CD1 4.01Å; F90-I124 HydrophobicContact CE1-CD1 3.7Å; F90-I124 HydrophobicContact CE1-CG2 4.43Å; F90-I124 HydrophobicContact CZ-CD1 3.96Å; F90-I124 HydrophobicContact CZ-CG2 4.38Å; F116-I124 HydrophobicContact CB-CD1 4.27Å; F116-I124 HydrophobicContact CB-CG1 4.36Å; F116-I124 HydrophobicContact CD2-CD1 3.65Å; F116-I124 HydrophobicContact CD2-CG1 4.3Å; F116-I124 HydrophobicContact CE2-CD1 4.33Å; F116-I124 HydrophobicContact CG-CD1 4.17Å; W118-I124 HydrophobicContact CD2-CB 4.24Å; W118-I124 HydrophobicContact CD2-CD1 4.11Å; W118-I124 HydrophobicContact CD2-CG1 4.23Å; W118-I124 HydrophobicContact CE3-CB 3.86Å; W118-I124 HydrophobicContact CE3-CD1 4.45Å; W118-I124 HydrophobicContact CE3-CG1 4.36Å; W118-I124 HydrophobicContact CH2-CB 4.44Å; W118-I124 HydrophobicContact CH2-CD1 4.24Å; W118-I124 HydrophobicContact CZ2-CD1 3.89Å; W118-I124 HydrophobicContact CZ3-CB 3.96Å; I124-F126 HydrophobicContact CD1-CD1 4.42Å; I124-F126 HydrophobicContact CD1-CE1 3.8Å; I124-F126 HydrophobicContact CG1-CD1 4.27Å; I124-F126 HydrophobicContact CG1-CE1 4.06Å; I124-F126 HydrophobicContact CG2-CE1 4.24Å; I124-Y135 PolarHBondContact N-O 3.18Å; I124-Y135 PolarHBondContact O-N 3.22Å; I124-V137 HydrophobicContact CB-CG2 4.41Å; I124-V137 HydrophobicContact CG2-CG2 3.69Å; I124-L144 HydrophobicContact CG2-CD2 3.93Å |
| 125 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.4 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | F116 C117 T119 I127 I132 E133 F134 I166 F182 | F116-V125 WeakPolarHBondContact CA-O 3.33Å; F116-V125 WeakPolarHBondContact CB-O 3.44Å; C117-V125 PolarHBondContact N-O 3.44Å; C117-V125 PolarHBondContact O-N 2.67Å; T119-V125 HydrophobicContact CG2-CG2 3.64Å; V125-I127 HydrophobicContact CG1-CD1 4.31Å; V125-I132 HydrophobicContact CG1-CG2 3.31Å; V125-E133 CarbonylContact C-O 3.54Å; V125-E133 WeakPolarHBondContact CA-O 3.41Å; V125-F134 HydrophobicContact CG2-CD2 3.6Å; V125-F134 HydrophobicContact CG2-CE2 4.12Å; V125-F134 HydrophobicContact CG2-CG 4.49Å; V125-I166 HydrophobicContact CB-CD1 3.98Å; V125-I166 HydrophobicContact CG1-CD1 3.74Å; V125-I166 HydrophobicContact CG2-CD1 4.22Å; V125-F182 HydrophobicContact CG1-CE1 4.33Å; V125-F182 HydrophobicContact CG1-CZ 3.99Å; V125-F182 HydrophobicContact CG2-CD1 3.9Å; V125-F182 HydrophobicContact CG2-CE1 3.44Å; V125-F182 VanDerWaalsContact CG2-CE1 3.44Å; V125-F182 HydrophobicContact CG2-CE2 4.37Å; V125-F182 HydrophobicContact CG2-CZ 3.72Å |
| 126 | F | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.5 | 169.2 | -65.7 | -6.1 | 0 | 0 | 0 | 109.4 | V88 F90 Q104 I113 F116 I124 I132 E133 Y135 L144 | V88-F126 HydrophobicContact CB-CE1 4.02Å; V88-F126 HydrophobicContact CB-CE2 4.43Å; V88-F126 HydrophobicContact CB-CZ 3.68Å; V88-F126 HydrophobicContact CG1-CE1 4.38Å; V88-F126 HydrophobicContact CG1-CZ 4.41Å; V88-F126 HydrophobicContact CG2-CD1 4.36Å; V88-F126 HydrophobicContact CG2-CE1 3.77Å; V88-F126 HydrophobicContact CG2-CE2 4.2Å; V88-F126 HydrophobicContact CG2-CZ 3.69Å; F90-F126 HydrophobicContact CE2-CZ 4.14Å; F90-F126 HydrophobicContact CZ-CE1 4.05Å; F90-F126 AromaticContact CZ-CZ 3.83Å; F90-F126 HydrophobicContact CZ-CZ 3.83Å; Q104-F126 HydrophobicContact CB-CE2 4.17Å; Q104-F126 HydrophobicContact CB-CZ 4.24Å; Q104-F126 HydrophobicContact CG-CE2 3.84Å; Q104-F126 HydrophobicContact CG-CZ 4.29Å; I113-F126 HydrophobicContact CD1-CD2 4.49Å; F116-F126 HydrophobicContact CB-CD1 3.83Å; F116-F126 HydrophobicContact CB-CE1 4.28Å; I124-F126 HydrophobicContact CD1-CD1 4.42Å; I124-F126 HydrophobicContact CD1-CE1 3.8Å; I124-F126 HydrophobicContact CG1-CD1 4.27Å; I124-F126 HydrophobicContact CG1-CE1 4.06Å; I124-F126 HydrophobicContact CG2-CE1 4.24Å; F126-I132 WeakPolarHBondContact O-CA 3.25Å; F126-E133 HydrophobicContact CB-CB 4.3Å; F126-E133 PolarHBondContact N-O 3.06Å; F126-E133 PolarHBondContact O-N 3.43Å; F126-Y135 HydrophobicContact CB-CE2 4.46Å; F126-Y135 AromaticContact CD2-CD2 4Å; F126-Y135 HydrophobicContact CD2-CD2 4Å; F126-Y135 AromaticContact CD2-CE2 3.55Å; F126-Y135 HydrophobicContact CD2-CE2 3.55Å; F126-Y135 HydrophobicContact CE2-CD2 4.22Å; F126-Y135 AromaticContact CE2-CE2 3.94Å; F126-Y135 HydrophobicContact CE2-CE2 3.94Å; F126-Y135 HydrophobicContact CG-CD2 4.19Å; F126-Y135 HydrophobicContact CG-CE2 4.05Å; F126-L144 HydrophobicContact CZ-CD2 4.16Å |
| 127 | I | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.7 | 173.9 | -57.4 | 86 | 0 | 0 | 0 | 107.2 | L114 G115 V125 V154 Y157 I166 L168 | L114-I127 HydrophobicContact CB-CG2 4.47Å; L114-I127 HydrophobicContact CD1-CG2 4.38Å; L114-I127 PolarHBondContact N-O 2.94Å; G115-I127 PolarHBondContact N-O 3.26Å; G115-I127 PolarHBondContact O-N 3.28Å; V125-I127 HydrophobicContact CG1-CD1 4.31Å; I127-V154 HydrophobicContact CG2-CG1 3.98Å; I127-Y157 HydrophobicContact CB-CD1 4.06Å; I127-Y157 HydrophobicContact CB-CE1 4.36Å; I127-Y157 HydrophobicContact CB-CG 4.19Å; I127-Y157 HydrophobicContact CD1-CD2 4Å; I127-Y157 HydrophobicContact CD1-CE2 3.91Å; I127-Y157 HydrophobicContact CD1-CG 4.48Å; I127-Y157 HydrophobicContact CG1-CD1 4.39Å; I127-Y157 HydrophobicContact CG1-CD2 3.99Å; I127-Y157 HydrophobicContact CG1-CE2 4.34Å; I127-Y157 HydrophobicContact CG1-CG 4.03Å; I127-Y157 HydrophobicContact CG2-CD1 3.75Å; I127-Y157 HydrophobicContact CG2-CE1 4.47Å; I127-Y157 HydrophobicContact CG2-CG 3.87Å; I127-I166 HydrophobicContact CD1-CD1 4.33Å; I127-L168 HydrophobicContact CG2-CD2 4.06Å |
| 128 | T | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 161 | 177.8 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | A111 S112 I113 Q130 G131 V154 | A111-T128 HydrophobicContact CB-CG2 4.39Å; S112-T128 CarbonylContact O-C 3.52Å; S112-T128 WeakPolarHBondContact O-CA 3.47Å; S112-T128 WeakPolarHBondContact O-CB 3.48Å; I113-T128 HydrophobicContact CG1-CG2 4.29Å; T128-Q130 PolarHBondContact O-N 3.01Å; T128-Q130 VanDerWaalsContact O-N 3.11Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; T128-G131 PolarHBondContact N-O 3.3Å; T128-G131 PolarHBondContact O-N 3.03Å; T128-G131 VanDerWaalsContact O-O 3.14Å; T128-G131 PolarHBondContact OG1-N 2.99Å; T128-G131 PolarHBondContact OG1-O 2.75Å; T128-V154 WeakPolarHBondContact O-CB 3.33Å; T128-V154 VanDerWaalsContact O-CG2 3.29Å; T128-V154 WeakPolarHBondContact O-CG2 3.25Å |
| 129 | D | 92.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 19.6 Ų | 19.6 | 22% | 0.219 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.2 | 171.3 | 57.4 | 1.3 | 0 | 0 | 0 | 114.3 | A111 S112 V154 | A111-D129 VanDerWaalsContact CA-OD1 3.24Å; A111-D129 WeakPolarHBondContact CA-OD1 3.45Å; A111-D129 WeakPolarHBondContact CB-OD1 3.09Å; S112-D129 PolarHBondContact N-OD1 2.8Å; S112-D129 PolarHBondContact N-OD2 2.67Å; S112-D129 PolarHBondContact O-N 3.13Å; S112-D129 VanDerWaalsContact OG-CG 3.26Å; S112-D129 PolarHBondContact OG-OD2 3.27Å; D129-V154 PolarHBondContact O-N 3.02Å |
| 130 | Q | 91.1 | Very high | 92.4 | Very high | 64 Ų | 64 | 24 Ų | 24 | 30% | 0.299 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 1 | -176.7 | -67.6 | 170.1 | 31.1 | 0 | 0 | 114.2 | M108 N110 A111 T128 S151 I152 | M108-Q130 HydrophobicContact CE-CB 4.42Å; M108-Q130 HydrophobicContact SD-CB 3.54Å; M108-Q130 VanDerWaalsContact SD-CB 3.54Å; M108-Q130 HydrophobicContact SD-CG 4.33Å; M108-Q130 PolarHBondContact SD-OE1 3.39Å; N110-Q130 PolarHBondContact O-NE2 2.86Å; N110-Q130 VanDerWaalsContact O-NE2 3.08Å; A111-Q130 HydrophobicContact CB-CB 4.1Å; A111-Q130 HydrophobicContact CB-CG 4.37Å; T128-Q130 PolarHBondContact O-N 3.01Å; T128-Q130 VanDerWaalsContact O-N 3.11Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; Q130-S151 WeakPolarHBondContact O-CA 3.07Å; Q130-S151 PolarHBondContact O-OG 2.98Å; Q130-I152 CarbonylContact C-O 3.56Å; Q130-I152 PolarHBondContact O-N 3.41Å; Q130-I152 VanDerWaalsContact O-O 3.07Å |
| 131 | G | 91.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.1 | -168.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | T128 Q150 I152 | T128-G131 PolarHBondContact N-O 3.3Å; T128-G131 PolarHBondContact O-N 3.03Å; T128-G131 VanDerWaalsContact O-O 3.14Å; T128-G131 PolarHBondContact OG1-N 2.99Å; T128-G131 PolarHBondContact OG1-O 2.75Å; G131-Q150 CarbonylContact C-O 2.9Å; G131-Q150 WeakPolarHBondContact CA-O 3.27Å; G131-I152 VanDerWaalsContact CA-O 3.24Å; G131-I152 WeakPolarHBondContact CA-O 3.4Å; G131-I152 PolarHBondContact N-O 3.02Å |
| 132 | I | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.6 | 174.9 | -63.8 | 172.7 | 0 | 0 | 0 | 109.9 | V125 F126 S149 Q150 L168 F180 | V125-I132 HydrophobicContact CG1-CG2 3.31Å; F126-I132 WeakPolarHBondContact O-CA 3.25Å; I132-S149 CarbonylContact O-C 3.56Å; I132-S149 VanDerWaalsContact O-CA 3.28Å; I132-S149 WeakPolarHBondContact O-CA 3.1Å; I132-S149 PolarHBondContact O-OG 3.2Å; I132-Q150 PolarHBondContact N-O 3.41Å; I132-Q150 PolarHBondContact O-N 2.88Å; I132-L168 HydrophobicContact CD1-CD1 3.24Å; I132-L168 HydrophobicContact CD1-CD2 4.06Å; I132-L168 HydrophobicContact CD1-CG 3.82Å; I132-L168 HydrophobicContact CG1-CD1 3.58Å; I132-L168 HydrophobicContact CG1-CD2 4.4Å; I132-L168 HydrophobicContact CG1-CG 4.44Å; I132-F180 HydrophobicContact CD1-CB 4.49Å; I132-F180 HydrophobicContact CD1-CD2 3.48Å; I132-F180 VanDerWaalsContact CD1-CD2 3.48Å; I132-F180 HydrophobicContact CD1-CE2 3.73Å; I132-F180 HydrophobicContact CD1-CG 3.94Å; I132-F180 HydrophobicContact CD1-CZ 4.39Å |
| 133 | E | 94.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120 | 171.3 | -54.3 | 179.4 | 165.3 | 0 | 0 | 109.6 | K107 V125 F126 Y135 L146 | K107-E133 WeakPolarHBondContact CB-OE1 3.07Å; K107-E133 PolarHBondContact N-OE1 2.85Å; K107-E133 VanDerWaalsContact N-OE1 3.14Å; K107-E133 PolarHBondContact N-OE2 3.36Å; V125-E133 CarbonylContact C-O 3.54Å; V125-E133 WeakPolarHBondContact CA-O 3.41Å; F126-E133 HydrophobicContact CB-CB 4.3Å; F126-E133 PolarHBondContact N-O 3.06Å; F126-E133 PolarHBondContact O-N 3.43Å; E133-Y135 HydrophobicContact CB-CD2 4.12Å; E133-Y135 HydrophobicContact CB-CE2 3.32Å; E133-Y135 HydrophobicContact CG-CE2 4.38Å; E133-Y135 WeakPolarHBondContact OE2-CE2 3.44Å; E133-Y135 PolarHBondContact OE2-OH 2.95Å; E133-L146 HydrophobicContact CB-CD1 4.16Å |
| 134 | F | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.1 | -178.9 | 179.1 | -139.6 | 0 | 0 | 0 | 110.4 | E123 V125 L147 K148 F182 M187 | E123-F134 HydrophobicContact CB-CE2 3.94Å; E123-F134 HydrophobicContact CB-CZ 4.27Å; E123-F134 HydrophobicContact CG-CE2 4.46Å; E123-F134 HydrophobicContact CG-CZ 4.34Å; V125-F134 HydrophobicContact CG2-CD2 3.6Å; V125-F134 HydrophobicContact CG2-CE2 4.12Å; V125-F134 HydrophobicContact CG2-CG 4.49Å; F134-L147 HydrophobicContact CD1-CB 3.67Å; F134-L147 HydrophobicContact CD1-CD1 3.79Å; F134-L147 HydrophobicContact CD1-CG 4.35Å; F134-L147 HydrophobicContact CE1-CB 4.07Å; F134-L147 HydrophobicContact CE1-CD1 3.37Å; F134-L147 HydrophobicContact CE1-CG 4.37Å; F134-L147 HydrophobicContact CE2-CD1 4.33Å; F134-L147 HydrophobicContact CG-CB 4.31Å; F134-L147 HydrophobicContact CG-CD1 4.43Å; F134-L147 HydrophobicContact CZ-CD1 3.68Å; F134-L147 WeakPolarHBondContact O-CB 3.34Å; F134-L147 PolarHBondContact O-N 3.32Å; F134-K148 HydrophobicContact CB-CB 4.47Å; F134-K148 WeakPolarHBondContact CB-O 3.45Å; F134-K148 HydrophobicContact CD1-CB 4.49Å; F134-K148 PolarHBondContact N-O 3.01Å; F134-K148 PolarHBondContact O-N 2.94Å; F134-F182 HydrophobicContact CB-CE1 4.44Å; F134-F182 HydrophobicContact CD2-CD1 4.19Å; F134-F182 HydrophobicContact CD2-CE1 4.13Å; F134-F182 HydrophobicContact CE2-CD1 4.11Å; F134-F182 HydrophobicContact CG-CD1 4.42Å; F134-F182 HydrophobicContact CG-CE1 4.17Å; F134-F182 HydrophobicContact CZ-CD1 4.3Å; F134-M187 HydrophobicContact CB-SD 4.3Å; F134-M187 HydrophobicContact CD1-CB 4.05Å; F134-M187 HydrophobicContact CE1-CB 4.49Å |
| 135 | Y | 94.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.1 | -173.3 | -66.9 | -82.2 | 0 | 0 | 0 | 112.4 | I124 F126 E133 L144 K145 L146 | I124-Y135 PolarHBondContact N-O 3.18Å; I124-Y135 PolarHBondContact O-N 3.22Å; F126-Y135 HydrophobicContact CB-CE2 4.46Å; F126-Y135 AromaticContact CD2-CD2 4Å; F126-Y135 HydrophobicContact CD2-CD2 4Å; F126-Y135 AromaticContact CD2-CE2 3.55Å; F126-Y135 HydrophobicContact CD2-CE2 3.55Å; F126-Y135 HydrophobicContact CE2-CD2 4.22Å; F126-Y135 AromaticContact CE2-CE2 3.94Å; F126-Y135 HydrophobicContact CE2-CE2 3.94Å; F126-Y135 HydrophobicContact CG-CD2 4.19Å; F126-Y135 HydrophobicContact CG-CE2 4.05Å; E133-Y135 HydrophobicContact CB-CD2 4.12Å; E133-Y135 HydrophobicContact CB-CE2 3.32Å; E133-Y135 HydrophobicContact CG-CE2 4.38Å; E133-Y135 WeakPolarHBondContact OE2-CE2 3.44Å; E133-Y135 PolarHBondContact OE2-OH 2.95Å; Y135-L144 HydrophobicContact CD1-CB 3.85Å; Y135-L144 HydrophobicContact CD1-CD2 4.42Å; Y135-L144 HydrophobicContact CD2-CD2 4.48Å; Y135-L144 HydrophobicContact CG-CB 4.23Å; Y135-L144 HydrophobicContact CG-CD2 4.02Å; Y135-K145 CarbonylContact C-O 3.54Å; Y135-K145 WeakPolarHBondContact CA-O 3.46Å; Y135-L146 HydrophobicContact CD1-CB 3.94Å; Y135-L146 HydrophobicContact CD1-CD1 3.91Å; Y135-L146 HydrophobicContact CE1-CB 3.7Å; Y135-L146 HydrophobicContact CE1-CD1 3.49Å; Y135-L146 VanDerWaalsContact CE1-CD1 3.49Å; Y135-L146 HydrophobicContact CE1-CG 4.16Å; Y135-L146 HydrophobicContact CE2-CD1 4.17Å; Y135-L146 HydrophobicContact CG-CD1 4.39Å |
| 136 | Q | 94.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 40.3 Ų | 40.3 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.7 | 163.2 | -173.6 | 175.1 | 28.4 | 0 | 0 | 109 | N122 L138 L144 K145 L147 | N122-Q136 CarbonylContact O-C 3.57Å; N122-Q136 WeakPolarHBondContact O-CA 3.47Å; Q136-L138 HydrophobicContact CG-CD2 4.33Å; Q136-L144 CarbonylContact O-C 3.55Å; Q136-L144 WeakPolarHBondContact O-CA 3.06Å; Q136-K145 HydrophobicContact CB-CB 4.45Å; Q136-K145 PolarHBondContact N-O 3.32Å; Q136-K145 PolarHBondContact O-N 3.04Å; Q136-L147 HydrophobicContact CB-CD1 4Å; Q136-L147 HydrophobicContact CB-CD2 4.08Å; Q136-L147 HydrophobicContact CB-CG 4.02Å |
| 137 | V | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.1 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | I78 F90 F102 W118 N122 I124 P139 L144 | I78-V137 HydrophobicContact CD1-CB 4.17Å; I78-V137 HydrophobicContact CD1-CG1 3.86Å; F90-V137 HydrophobicContact CE1-CG2 4.11Å; F102-V137 HydrophobicContact CE2-CG1 4.35Å; F102-V137 HydrophobicContact CZ-CG1 3.99Å; W118-V137 HydrophobicContact CH2-CG2 3.84Å; W118-V137 HydrophobicContact CZ3-CG2 3.79Å; N122-V137 PolarHBondContact O-N 3.07Å; I124-V137 HydrophobicContact CB-CG2 4.41Å; I124-V137 HydrophobicContact CG2-CG2 3.69Å; V137-P139 WeakPolarHBondContact O-CD 3.36Å; V137-L144 HydrophobicContact CG2-CD2 4.21Å; V137-L144 HydrophobicContact CG2-CG 4.13Å |
| 138 | L | 91.1 | Very high | 91.4 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 92.8 | 175.9 | -59.4 | 177.2 | 0 | 0 | 0 | 108.8 | Q136 D140 K141 R142 S143 K145 | Q136-L138 HydrophobicContact CG-CD2 4.33Å; L138-D140 VanDerWaalsContact C-N 3.29Å; L138-D140 PolarHBondContact O-N 3.37Å; L138-K141 HydrophobicContact CB-CB 4.15Å; L138-K141 HydrophobicContact CD1-CD 4.1Å; L138-K141 PolarHBondContact O-N 3.31Å; L138-R142 PolarHBondContact O-N 3.44Å; L138-S143 WeakPolarHBondContact CB-O 3.3Å; L138-S143 PolarHBondContact N-O 3.29Å; L138-S143 PolarHBondContact O-N 3.01Å; L138-K145 HydrophobicContact CD1-CB 4.33Å |
| 139 | P | 85.1 | Confident | 91.3 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -41.4 | -176.3 | -27.8 | 36.2 | 0 | 0 | 0 | 113.3 | I78 N92 I94 V137 K141 R142 | I78-P139 HydrophobicContact CD1-CG 3.81Å; N92-P139 PolarHBondContact ND2-O 3.29Å; I94-P139 HydrophobicContact CD1-CB 4.16Å; I94-P139 HydrophobicContact CD1-CG 4.01Å; V137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 3.47Å; P139-R142 PolarHBondContact O-N 3.07Å |
| 140 | D | 85.3 | Confident | 91.3 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 60% | 0.599 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -40.5 | -178.8 | -46.1 | -24 | 0 | 0 | 0 | 112.3 | Y97 L138 | Y97-D140 HydrophobicContact CE1-CB 4.45Å; Y97-D140 VanDerWaalsContact CE1-OD1 3.27Å; Y97-D140 WeakPolarHBondContact CE1-OD1 3.42Å; Y97-D140 PolarHBondContact OH-OD1 3.22Å; L138-D140 VanDerWaalsContact C-N 3.29Å; L138-D140 PolarHBondContact O-N 3.37Å |
| 141 | K | 84.9 | Confident | 91.3 | Very high | 153 Ų | 153 | 52.1 Ų | 52.1 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -2.8 | -176.1 | -60.7 | -171.1 | -177.5 | -179.2 | 0 | 112.6 | L138 P139 S143 | L138-K141 HydrophobicContact CB-CB 4.15Å; L138-K141 HydrophobicContact CD1-CD 4.1Å; L138-K141 PolarHBondContact O-N 3.31Å; P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 3.47Å; K141-S143 VanDerWaalsContact CB-OG 3.31Å; K141-S143 WeakPolarHBondContact CB-OG 3.46Å; K141-S143 PolarHBondContact O-N 3.08Å; K141-S143 VanDerWaalsContact O-N 3.12Å; K141-S143 PolarHBondContact O-OG 3.2Å |
| 142 | R | 86.4 | Confident | 91.3 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 44.3 | -177.1 | -57.4 | -178.5 | -169.1 | 161 | 3.9 | 112.5 | F102 L138 P139 | F102-R142 HydrophobicContact CB-CB 4.08Å; F102-R142 HydrophobicContact CD1-CB 3.83Å; F102-R142 HydrophobicContact CD1-CG 4.15Å; F102-R142 VanDerWaalsContact CD2-C 3.49Å; F102-R142 HydrophobicContact CD2-CB 4.38Å; F102-R142 WeakPolarHBondContact CD2-O 3.29Å; F102-R142 HydrophobicContact CE1-CB 4.35Å; F102-R142 HydrophobicContact CG-CB 3.84Å; L138-R142 PolarHBondContact O-N 3.44Å; P139-R142 PolarHBondContact O-N 3.07Å |
| 143 | S | 89.6 | Confident | 91.2 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159 | -175.2 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | L138 K141 | L138-S143 WeakPolarHBondContact CB-O 3.3Å; L138-S143 PolarHBondContact N-O 3.29Å; L138-S143 PolarHBondContact O-N 3.01Å; K141-S143 VanDerWaalsContact CB-OG 3.31Å; K141-S143 WeakPolarHBondContact CB-OG 3.46Å; K141-S143 PolarHBondContact O-N 3.08Å; K141-S143 VanDerWaalsContact O-N 3.12Å; K141-S143 PolarHBondContact O-OG 3.2Å |
| 144 | L | 92.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.9 | 177.4 | -75.7 | 70.4 | 0 | 0 | 0 | 109.3 | F90 F102 Q104 I124 F126 Y135 Q136 V137 | F90-L144 HydrophobicContact CD2-CD1 3.99Å; F90-L144 HydrophobicContact CE1-CD2 4.34Å; F90-L144 HydrophobicContact CE2-CD1 3.77Å; F90-L144 HydrophobicContact CE2-CD2 3.72Å; F90-L144 HydrophobicContact CE2-CG 4.41Å; F90-L144 HydrophobicContact CZ-CD1 4.21Å; F90-L144 HydrophobicContact CZ-CD2 3.51Å; F90-L144 HydrophobicContact CZ-CG 4.43Å; F102-L144 HydrophobicContact CD2-CD1 4.25Å; F102-L144 HydrophobicContact CE2-CD1 3.65Å; Q104-L144 HydrophobicContact CB-CD1 3.97Å; Q104-L144 HydrophobicContact CB-CD2 3.96Å; Q104-L144 HydrophobicContact CB-CG 4.41Å; Q104-L144 HydrophobicContact CG-CB 4.25Å; Q104-L144 HydrophobicContact CG-CD1 4.42Å; Q104-L144 HydrophobicContact CG-CD2 3.92Å; Q104-L144 HydrophobicContact CG-CG 4.4Å; I124-L144 HydrophobicContact CG2-CD2 3.93Å; F126-L144 HydrophobicContact CZ-CD2 4.16Å; Y135-L144 HydrophobicContact CD1-CB 3.85Å; Y135-L144 HydrophobicContact CD1-CD2 4.42Å; Y135-L144 HydrophobicContact CD2-CD2 4.48Å; Y135-L144 HydrophobicContact CG-CB 4.23Å; Y135-L144 HydrophobicContact CG-CD2 4.02Å; Q136-L144 CarbonylContact O-C 3.55Å; Q136-L144 WeakPolarHBondContact O-CA 3.06Å; V137-L144 HydrophobicContact CG2-CD2 4.21Å; V137-L144 HydrophobicContact CG2-CG 4.13Å |
| 145 | K | 92.9 | Very high | 90.9 | Very high | 119 Ų | 119 | 61.6 Ų | 61.6 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118 | 170.7 | -178.3 | -177 | 177.6 | -174 | 0 | 108.7 | Y135 Q136 L138 L147 | Y135-K145 CarbonylContact C-O 3.54Å; Y135-K145 WeakPolarHBondContact CA-O 3.46Å; Q136-K145 HydrophobicContact CB-CB 4.45Å; Q136-K145 PolarHBondContact N-O 3.32Å; Q136-K145 PolarHBondContact O-N 3.04Å; L138-K145 HydrophobicContact CD1-CB 4.33Å; K145-L147 PolarHBondContact O-N 2.84Å |
| 146 | L | 92.7 | Very high | 90.8 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 29% | 0.293 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 118.7 | 172.5 | -176.3 | 70 | 0 | 0 | 0 | 109.5 | K107 E133 Y135 | K107-L146 HydrophobicContact CD-CD2 3.95Å; E133-L146 HydrophobicContact CB-CD1 4.16Å; Y135-L146 HydrophobicContact CD1-CB 3.94Å; Y135-L146 HydrophobicContact CD1-CD1 3.91Å; Y135-L146 HydrophobicContact CE1-CB 3.7Å; Y135-L146 HydrophobicContact CE1-CD1 3.49Å; Y135-L146 VanDerWaalsContact CE1-CD1 3.49Å; Y135-L146 HydrophobicContact CE1-CG 4.16Å; Y135-L146 HydrophobicContact CE2-CD1 4.17Å; Y135-L146 HydrophobicContact CG-CD1 4.39Å |
| 147 | L | 92.2 | Very high | 90.8 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -49.5 | 176.2 | -63 | -179.8 | 0 | 0 | 0 | 110.9 | F134 Q136 K145 | F134-L147 HydrophobicContact CD1-CB 3.67Å; F134-L147 HydrophobicContact CD1-CD1 3.79Å; F134-L147 HydrophobicContact CD1-CG 4.35Å; F134-L147 HydrophobicContact CE1-CB 4.07Å; F134-L147 HydrophobicContact CE1-CD1 3.37Å; F134-L147 HydrophobicContact CE1-CG 4.37Å; F134-L147 HydrophobicContact CE2-CD1 4.33Å; F134-L147 HydrophobicContact CG-CB 4.31Å; F134-L147 HydrophobicContact CG-CD1 4.43Å; F134-L147 HydrophobicContact CZ-CD1 3.68Å; F134-L147 WeakPolarHBondContact O-CB 3.34Å; F134-L147 PolarHBondContact O-N 3.32Å; Q136-L147 HydrophobicContact CB-CD1 4Å; Q136-L147 HydrophobicContact CB-CD2 4.08Å; Q136-L147 HydrophobicContact CB-CG 4.02Å; K145-L147 PolarHBondContact O-N 2.84Å |
| 148 | K | 91.9 | Very high | 90.8 | Very high | 102 Ų | 102 | 62.9 Ų | 62.9 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 151.1 | -178.7 | -160 | 163.4 | 177.6 | -177.5 | 0 | 110.7 | F134 M187 | F134-K148 HydrophobicContact CB-CB 4.47Å; F134-K148 WeakPolarHBondContact CB-O 3.45Å; F134-K148 HydrophobicContact CD1-CB 4.49Å; F134-K148 PolarHBondContact N-O 3.01Å; F134-K148 PolarHBondContact O-N 2.94Å; K148-M187 HydrophobicContact CB-CE 4.33Å; K148-M187 HydrophobicContact CB-SD 4.31Å; K148-M187 HydrophobicContact CD-CB 4.17Å; K148-M187 HydrophobicContact CD-CE 3.74Å; K148-M187 HydrophobicContact CD-SD 4.41Å; K148-M187 HydrophobicContact CG-CE 3.75Å; K148-M187 HydrophobicContact CG-SD 4.37Å; K148-M187 PolarHBondContact NZ-O 3.24Å |
| 149 | S | 92.6 | Very high | 90.9 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.1 | 173.1 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | I132 | I132-S149 CarbonylContact O-C 3.56Å; I132-S149 VanDerWaalsContact O-CA 3.28Å; I132-S149 WeakPolarHBondContact O-CA 3.1Å; I132-S149 PolarHBondContact O-OG 3.2Å |
| 150 | Q | 92.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 117.2 | 177.2 | 177.6 | 64.9 | 59.4 | 0 | 0 | 108.7 | G131 I132 F180 M187 | G131-Q150 CarbonylContact C-O 2.9Å; G131-Q150 WeakPolarHBondContact CA-O 3.27Å; I132-Q150 PolarHBondContact N-O 3.41Å; I132-Q150 PolarHBondContact O-N 2.88Å; Q150-F180 HydrophobicContact CB-CE1 4.42Å; Q150-F180 HydrophobicContact CG-CE1 4.13Å; Q150-F180 HydrophobicContact CG-CZ 3.92Å; Q150-M187 HydrophobicContact CB-CE 3.97Å |
| 151 | S | 92.1 | Very high | 91.4 | Very high | 79 Ų | 79 | 58 Ų | 58 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.9 | 171.6 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | Q130 | Q130-S151 WeakPolarHBondContact O-CA 3.07Å; Q130-S151 PolarHBondContact O-OG 2.98Å |
| 152 | I | 91.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | trans | -160.4 | 138.5 | 177.4 | -168.5 | 162 | 0 | 0 | 0 | 107.9 | Q130 G131 V154 L168 T170 Q178 | Q130-I152 CarbonylContact C-O 3.56Å; Q130-I152 PolarHBondContact O-N 3.41Å; Q130-I152 VanDerWaalsContact O-O 3.07Å; G131-I152 VanDerWaalsContact CA-O 3.24Å; G131-I152 WeakPolarHBondContact CA-O 3.4Å; G131-I152 PolarHBondContact N-O 3.02Å; I152-V154 HydrophobicContact CG2-CG2 4.04Å; I152-V154 PolarHBondContact O-N 3.42Å; I152-L168 HydrophobicContact CG2-CD1 3.7Å; I152-T170 HydrophobicContact CD1-CG2 3.49Å; I152-T170 VanDerWaalsContact CD1-CG2 3.49Å; I152-T170 HydrophobicContact CG1-CG2 3.7Å; I152-Q178 HydrophobicContact CD1-CB 4.16Å; I152-Q178 HydrophobicContact CD1-CG 3.92Å | ||
| 153 | N | 91.4 | Very high | 91.6 | Very high | 98 Ų | 98 | 51 Ų | 51 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | trans | -66.4 | 133.6 | 174.8 | -171.1 | -63.2 | 0 | 0 | 0 | 109.2 | T170 | N153-T170 VanDerWaalsContact O-CA 3.25Å; N153-T170 WeakPolarHBondContact O-CA 3.49Å; N153-T170 WeakPolarHBondContact O-CB 3.4Å; N153-T170 WeakPolarHBondContact O-CG2 3.31Å | ||
| 154 | V | 92.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | trans | -126.4 | 122.3 | -179.7 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | L114 I127 T128 D129 I152 L168 S169 | L114-V154 HydrophobicContact CD1-CB 4.04Å; L114-V154 HydrophobicContact CD1-CG1 3.72Å; I127-V154 HydrophobicContact CG2-CG1 3.98Å; T128-V154 WeakPolarHBondContact O-CB 3.33Å; T128-V154 VanDerWaalsContact O-CG2 3.29Å; T128-V154 WeakPolarHBondContact O-CG2 3.25Å; D129-V154 PolarHBondContact O-N 3.02Å; I152-V154 HydrophobicContact CG2-CG2 4.04Å; I152-V154 PolarHBondContact O-N 3.42Å; V154-L168 HydrophobicContact CG1-CB 4.47Å; V154-L168 HydrophobicContact CG1-CD2 4Å; V154-L168 HydrophobicContact CG2-CD1 3.69Å; V154-L168 HydrophobicContact CG2-CD2 4.44Å; V154-L168 HydrophobicContact CG2-CG 4.49Å; V154-S169 WeakPolarHBondContact CA-O 3.38Å | ||
| 155 | N | 91.2 | Very high | 91.7 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -86.4 | -48 | 172.3 | -53.7 | -55.7 | 0 | 0 | 0 | 111.8 | S169 T171 | N155-S169 PolarHBondContact N-O 2.65Å; N155-S169 PolarHBondContact ND2-OG 3.3Å; N155-T171 PolarHBondContact ND2-O 2.63Å |
| 156 | W | 92.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 43 Ų | 43 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 163.1 | 179.2 | 56.2 | -103 | 0 | 0 | 0 | 108.6 | M158 S169 L177 L208 E210 I213 | W156-M158 HydrophobicContact CE3-CE 4.5Å; W156-M158 HydrophobicContact CE3-CG 4.36Å; W156-M158 HydrophobicContact CH2-CE 3.96Å; W156-M158 HydrophobicContact CZ3-CE 3.49Å; W156-M158 VanDerWaalsContact CZ3-CE 3.49Å; W156-M158 HydrophobicContact CZ3-CG 4.14Å; W156-M158 HydrophobicContact CZ3-SD 4.46Å; W156-S169 VanDerWaalsContact CZ2-CB 3.42Å; W156-S169 PolarHBondContact O-N 3.14Å; W156-L177 HydrophobicContact CH2-CD2 3.6Å; W156-L177 HydrophobicContact CZ2-CD2 3.91Å; W156-L208 HydrophobicContact CZ2-CD2 4.5Å; W156-L208 HydrophobicContact CZ2-CG 4.32Å; W156-L208 PolarHBondContact NE1-O 3.38Å; W156-E210 HydrophobicContact CB-CB 4.48Å; W156-E210 HydrophobicContact CD2-CB 4.23Å; W156-E210 HydrophobicContact CE3-CB 4.33Å; W156-E210 HydrophobicContact CG-CB 4.3Å; W156-I213 HydrophobicContact CH2-CD1 3.31Å; W156-I213 HydrophobicContact CH2-CG1 4.45Å; W156-I213 HydrophobicContact CZ2-CD1 3.57Å; W156-I213 HydrophobicContact CZ3-CD1 4.43Å |
| 157 | Y | 93.9 | Very high | 91.9 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 158.8 | 179.6 | 73.6 | -80.2 | 0 | 0 | 0 | 111 | L114 G115 I127 L167 | L114-Y157 HydrophobicContact CB-CD1 4.17Å; L114-Y157 HydrophobicContact CB-CE1 4.06Å; G115-Y157 WeakPolarHBondContact CA-OH 3.35Å; I127-Y157 HydrophobicContact CB-CD1 4.06Å; I127-Y157 HydrophobicContact CB-CE1 4.36Å; I127-Y157 HydrophobicContact CB-CG 4.19Å; I127-Y157 HydrophobicContact CD1-CD2 4Å; I127-Y157 HydrophobicContact CD1-CE2 3.91Å; I127-Y157 HydrophobicContact CD1-CG 4.48Å; I127-Y157 HydrophobicContact CG1-CD1 4.39Å; I127-Y157 HydrophobicContact CG1-CD2 3.99Å; I127-Y157 HydrophobicContact CG1-CE2 4.34Å; I127-Y157 HydrophobicContact CG1-CG 4.03Å; I127-Y157 HydrophobicContact CG2-CD1 3.75Å; I127-Y157 HydrophobicContact CG2-CE1 4.47Å; I127-Y157 HydrophobicContact CG2-CG 3.87Å; Y157-L167 CarbonylContact C-O 3.57Å; Y157-L167 VanDerWaalsContact CA-O 3.26Å; Y157-L167 WeakPolarHBondContact CA-O 3.49Å |
| 158 | M | 92.9 | Very high | 92 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.2 | 166.3 | -67.2 | -179.7 | -73 | 0 | 0 | 109.9 | W156 I166 L167 E210 I213 V215 | W156-M158 HydrophobicContact CE3-CE 4.5Å; W156-M158 HydrophobicContact CE3-CG 4.36Å; W156-M158 HydrophobicContact CH2-CE 3.96Å; W156-M158 HydrophobicContact CZ3-CE 3.49Å; W156-M158 VanDerWaalsContact CZ3-CE 3.49Å; W156-M158 HydrophobicContact CZ3-CG 4.14Å; W156-M158 HydrophobicContact CZ3-SD 4.46Å; M158-I166 CarbonylContact O-C 3.55Å; M158-I166 WeakPolarHBondContact O-CA 3.44Å; M158-L167 HydrophobicContact CE-CD2 3.77Å; M158-L167 PolarHBondContact N-O 3.11Å; M158-L167 PolarHBondContact O-N 2.89Å; M158-E210 HydrophobicContact CG-CG 4.08Å; M158-I213 HydrophobicContact CE-CB 3.53Å; M158-I213 HydrophobicContact CE-CG2 3.19Å; M158-I213 HydrophobicContact SD-CB 4.21Å; M158-I213 HydrophobicContact SD-CG2 4.2Å; M158-I213 VanDerWaalsContact SD-O 3.42Å; M158-V215 HydrophobicContact CE-CG2 3.76Å; M158-V215 HydrophobicContact SD-CG2 4.28Å |
| 159 | Y | 93.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.071 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.1 | 178.7 | 178.5 | -130.6 | 0 | 0 | 0 | 111.1 | A31 C117 W118 P161 I166 | A31-Y159 HydrophobicContact CB-CE1 4.29Å; C117-Y159 HydrophobicContact CB-CD1 3.74Å; C117-Y159 HydrophobicContact CB-CD2 4.28Å; C117-Y159 HydrophobicContact CB-CE1 3.99Å; C117-Y159 HydrophobicContact CB-CG 3.89Å; C117-Y159 VanDerWaalsContact SG-CB 3.53Å; W118-Y159 PolarHBondContact O-OH 2.7Å; Y159-P161 HydrophobicContact CD1-CB 4.35Å; Y159-P161 HydrophobicContact CE1-CB 3.74Å; Y159-P161 VanDerWaalsContact O-CD 3.3Å; Y159-P161 WeakPolarHBondContact O-CD 3.34Å; Y159-I166 HydrophobicContact CD2-CD1 4.32Å; Y159-I166 HydrophobicContact CD2-CG1 3.5Å; Y159-I166 VanDerWaalsContact CD2-CG1 3.5Å; Y159-I166 HydrophobicContact CE2-CG1 4.15Å; Y159-I166 HydrophobicContact CG-CG1 4.32Å |
| 160 | C | 92.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 99.3 | 170.1 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | E162 T163 A164 V165 V215 | C160-E162 VanDerWaalsContact C-N 3.35Å; C160-E162 PolarHBondContact O-N 3.48Å; C160-T163 PolarHBondContact O-N 3.24Å; C160-T163 PolarHBondContact SG-OG1 3.26Å; C160-T163 VanDerWaalsContact SG-OG1 3.38Å; C160-A164 WeakPolarHBondContact O-CA 3.27Å; C160-A164 PolarHBondContact O-N 3.13Å; C160-V165 PolarHBondContact N-O 3.47Å; C160-V165 PolarHBondContact O-N 3.35Å; C160-V165 VanDerWaalsContact O-N 3.15Å; C160-V215 HydrophobicContact CB-CB 4.43Å; C160-V215 HydrophobicContact CB-CG1 3.83Å |
| 161 | P | 88.4 | Confident | 91.5 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -64 | -37.6 | -176.4 | 22.9 | -32.3 | 0 | 0 | 0 | 112.8 | E30 A31 Y159 T163 A164 | E30-P161 WeakPolarHBondContact O-CG 3.36Å; A31-P161 HydrophobicContact CB-CB 4.3Å; Y159-P161 HydrophobicContact CD1-CB 4.35Å; Y159-P161 HydrophobicContact CE1-CB 3.74Å; Y159-P161 VanDerWaalsContact O-CD 3.3Å; Y159-P161 WeakPolarHBondContact O-CD 3.34Å; P161-T163 VanDerWaalsContact C-N 3.25Å; P161-T163 PolarHBondContact O-N 3.1Å; P161-A164 PolarHBondContact O-N 3.26Å; P161-A164 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 86.7 | Confident | 90.8 | Very high | 102 Ų | 102 | 34.3 Ų | 34.3 | 48% | 0.477 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -58 | -35.3 | -177.6 | -62.4 | -175.8 | 172.5 | 0 | 0 | 113.6 | C160 N217 | C160-E162 VanDerWaalsContact C-N 3.35Å; C160-E162 PolarHBondContact O-N 3.48Å; E162-N217 WeakPolarHBondContact OE2-CB 3.32Å |
| 163 | T | 88 | Confident | 90.2 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -107.2 | -2.8 | -179.6 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | C160 P161 V165 L222 R248 | C160-T163 PolarHBondContact O-N 3.24Å; C160-T163 PolarHBondContact SG-OG1 3.26Å; C160-T163 VanDerWaalsContact SG-OG1 3.38Å; P161-T163 VanDerWaalsContact C-N 3.25Å; P161-T163 PolarHBondContact O-N 3.1Å; T163-V165 VanDerWaalsContact C-N 3.31Å; T163-L222 HydrophobicContact CG2-CD1 4.09Å; T163-R248 PolarHBondContact O-NH2 3.25Å; T163-R248 VanDerWaalsContact O-NH2 3.12Å |
| 164 | A | 91.6 | Very high | 89.6 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 48.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C160 P161 F182 | C160-A164 WeakPolarHBondContact O-CA 3.27Å; C160-A164 PolarHBondContact O-N 3.13Å; P161-A164 PolarHBondContact O-N 3.26Å; P161-A164 VanDerWaalsContact O-N 3.15Å; A164-F182 HydrophobicContact CB-CB 4.31Å; A164-F182 WeakPolarHBondContact O-CD2 3.48Å; A164-F182 PolarHBondContact O-N 3.36Å |
| 165 | V | 93.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.1 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | C160 T163 P179 F180 A181 M190 L222 L246 | C160-V165 PolarHBondContact N-O 3.47Å; C160-V165 PolarHBondContact O-N 3.35Å; C160-V165 VanDerWaalsContact O-N 3.15Å; T163-V165 VanDerWaalsContact C-N 3.31Å; V165-P179 HydrophobicContact CG1-CB 4.14Å; V165-F180 CarbonylContact C-O 3.52Å; V165-F180 WeakPolarHBondContact CA-O 3.37Å; V165-A181 HydrophobicContact CG2-CB 4.06Å; V165-M190 HydrophobicContact CG1-SD 4.38Å; V165-M190 HydrophobicContact CG2-SD 4.46Å; V165-L222 HydrophobicContact CB-CD2 3.96Å; V165-L222 HydrophobicContact CG1-CD2 4.04Å; V165-L222 HydrophobicContact CG2-CD2 3.75Å; V165-L246 HydrophobicContact CG1-CD2 4.39Å |
| 166 | I | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.3 | 170.8 | -63.2 | 174.6 | 0 | 0 | 0 | 108.4 | C117 V125 I127 M158 Y159 L168 P179 F180 F182 | C117-I166 HydrophobicContact CB-CD1 4.38Å; V125-I166 HydrophobicContact CB-CD1 3.98Å; V125-I166 HydrophobicContact CG1-CD1 3.74Å; V125-I166 HydrophobicContact CG2-CD1 4.22Å; I127-I166 HydrophobicContact CD1-CD1 4.33Å; M158-I166 CarbonylContact O-C 3.55Å; M158-I166 WeakPolarHBondContact O-CA 3.44Å; Y159-I166 HydrophobicContact CD2-CD1 4.32Å; Y159-I166 HydrophobicContact CD2-CG1 3.5Å; Y159-I166 VanDerWaalsContact CD2-CG1 3.5Å; Y159-I166 HydrophobicContact CE2-CG1 4.15Å; Y159-I166 HydrophobicContact CG-CG1 4.32Å; I166-L168 HydrophobicContact CG2-CD2 3.72Å; I166-L168 HydrophobicContact CG2-CG 4.45Å; I166-P179 CarbonylContact O-C 3.59Å; I166-P179 VanDerWaalsContact O-CA 3.31Å; I166-P179 WeakPolarHBondContact O-CA 3.49Å; I166-F180 PolarHBondContact N-O 2.99Å; I166-F180 PolarHBondContact O-N 3.3Å; I166-F182 HydrophobicContact CB-CE2 4.02Å; I166-F182 HydrophobicContact CD1-CD2 4.3Å; I166-F182 HydrophobicContact CD1-CE2 3.51Å; I166-F182 HydrophobicContact CD1-CZ 3.93Å; I166-F182 HydrophobicContact CG1-CD2 4.34Å; I166-F182 HydrophobicContact CG1-CE2 3.75Å |
| 167 | L | 94.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122 | 175.4 | -167.2 | 63.5 | 0 | 0 | 0 | 109.4 | Y157 M158 L177 P179 F193 V215 V224 | Y157-L167 CarbonylContact C-O 3.57Å; Y157-L167 VanDerWaalsContact CA-O 3.26Å; Y157-L167 WeakPolarHBondContact CA-O 3.49Å; M158-L167 HydrophobicContact CE-CD2 3.77Å; M158-L167 PolarHBondContact N-O 3.11Å; M158-L167 PolarHBondContact O-N 2.89Å; L167-L177 HydrophobicContact CD1-CB 3.86Å; L167-L177 HydrophobicContact CD1-CD1 4.5Å; L167-L177 HydrophobicContact CD2-CD1 3.81Å; L167-L177 HydrophobicContact CG-CB 4.25Å; L167-L177 HydrophobicContact CG-CD1 4.29Å; L167-P179 HydrophobicContact CD1-CB 3.87Å; L167-P179 HydrophobicContact CD1-CG 4.05Å; L167-F193 HydrophobicContact CD1-CE1 4.26Å; L167-F193 HydrophobicContact CD1-CZ 4.48Å; L167-V215 HydrophobicContact CD2-CG2 3.79Å; L167-V224 HydrophobicContact CD2-CG1 3.85Å; L167-V224 HydrophobicContact CD2-CG2 3.86Å |
| 168 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.8 | 176.6 | -57.8 | -171.9 | 0 | 0 | 0 | 111.9 | I127 I132 I152 V154 I166 T170 L177 Q178 F180 | I127-L168 HydrophobicContact CG2-CD2 4.06Å; I132-L168 HydrophobicContact CD1-CD1 3.24Å; I132-L168 HydrophobicContact CD1-CD2 4.06Å; I132-L168 HydrophobicContact CD1-CG 3.82Å; I132-L168 HydrophobicContact CG1-CD1 3.58Å; I132-L168 HydrophobicContact CG1-CD2 4.4Å; I132-L168 HydrophobicContact CG1-CG 4.44Å; I152-L168 HydrophobicContact CG2-CD1 3.7Å; V154-L168 HydrophobicContact CG1-CB 4.47Å; V154-L168 HydrophobicContact CG1-CD2 4Å; V154-L168 HydrophobicContact CG2-CD1 3.69Å; V154-L168 HydrophobicContact CG2-CD2 4.44Å; V154-L168 HydrophobicContact CG2-CG 4.49Å; I166-L168 HydrophobicContact CG2-CD2 3.72Å; I166-L168 HydrophobicContact CG2-CG 4.45Å; L168-T170 HydrophobicContact CB-CG2 4.15Å; L168-L177 CarbonylContact O-C 3.2Å; L168-L177 VanDerWaalsContact O-CA 3.31Å; L168-L177 WeakPolarHBondContact O-CA 3.4Å; L168-Q178 PolarHBondContact N-O 3.39Å; L168-Q178 PolarHBondContact O-N 3.37Å; L168-F180 HydrophobicContact CD1-CD2 4.17Å; L168-F180 HydrophobicContact CD1-CE2 3.8Å; L168-F180 HydrophobicContact CG-CD2 4.3Å; L168-F180 HydrophobicContact CG-CE2 4.32Å |
| 169 | S | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.5 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | V154 N155 W156 G174 | V154-S169 WeakPolarHBondContact CA-O 3.38Å; N155-S169 PolarHBondContact N-O 2.65Å; N155-S169 PolarHBondContact ND2-OG 3.3Å; W156-S169 VanDerWaalsContact CZ2-CB 3.42Å; W156-S169 PolarHBondContact O-N 3.14Å; S169-G174 VanDerWaalsContact OG-C 3.28Å; S169-G174 WeakPolarHBondContact OG-CA 3.27Å; S169-G174 PolarHBondContact OG-O 3.13Å |
| 170 | T | 88.2 | Confident | 89.5 | Confident | 25 Ų | 25 | 26 Ų | 26 | 15% | 0.153 | 14% | 0.135 | C | C | . | . | trans | -124.9 | -21.4 | -162.3 | 62.5 | 0 | 0 | 0 | 0 | 116.3 | I152 N153 L168 V176 Q178 | I152-T170 HydrophobicContact CD1-CG2 3.49Å; I152-T170 VanDerWaalsContact CD1-CG2 3.49Å; I152-T170 HydrophobicContact CG1-CG2 3.7Å; N153-T170 VanDerWaalsContact O-CA 3.25Å; N153-T170 WeakPolarHBondContact O-CA 3.49Å; N153-T170 WeakPolarHBondContact O-CB 3.4Å; N153-T170 WeakPolarHBondContact O-CG2 3.31Å; L168-T170 HydrophobicContact CB-CG2 4.15Å; T170-V176 PolarHBondContact N-O 3.16Å; T170-V176 VanDerWaalsContact N-O 3.16Å; T170-V176 PolarHBondContact OG1-O 3.45Å; T170-V176 VanDerWaalsContact OG1-O 3.06Å; T170-Q178 HydrophobicContact CG2-CB 3.99Å | ||
| 171 | T | 84.9 | Confident | 89.6 | Confident | 45 Ų | 45 | 25.9 Ų | 25.9 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -95.4 | 158.6 | 179.5 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | N155 Q173 G174 N175 V176 | N155-T171 PolarHBondContact ND2-O 2.63Å; T171-Q173 PolarHBondContact O-N 3.39Å; T171-Q173 VanDerWaalsContact O-N 3.15Å; T171-G174 WeakPolarHBondContact O-CA 3.41Å; T171-G174 PolarHBondContact O-N 3.27Å; T171-N175 PolarHBondContact OG1-N 3.31Å; T171-N175 PolarHBondContact OG1-OD1 2.99Å; T171-V176 HydrophobicContact CG2-CB 3.65Å; T171-V176 HydrophobicContact CG2-CG2 3.54Å; T171-V176 PolarHBondContact OG1-N 3.49Å |
| 172 | F | 77.3 | Confident | 89.7 | Confident | 151 Ų | 151 | 24.2 Ų | 24.2 | 66% | 0.662 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -34 | 178.1 | -179.6 | -95 | 0 | 0 | 0 | 114.2 | G174 | F172-G174 VanDerWaalsContact C-N 3.26Š|
| 173 | Q | 78.6 | Confident | 89.8 | Confident | 95 Ų | 95 | 27 Ų | 27 | 44% | 0.444 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.8 | 175.3 | -69.6 | 179.3 | -21.6 | 0 | 0 | 113.2 | T171 N175 L197 L208 | T171-Q173 PolarHBondContact O-N 3.39Å; T171-Q173 VanDerWaalsContact O-N 3.15Å; Q173-N175 HydrophobicContact CB-CB 4.49Å; Q173-N175 PolarHBondContact O-N 3.43Å; Q173-L197 HydrophobicContact CB-CD1 4.27Å; Q173-L208 PolarHBondContact O-N 3.2Å |
| 174 | G | 79.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 72.6 | 4.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S169 T171 F172 L208 | S169-G174 VanDerWaalsContact OG-C 3.28Å; S169-G174 WeakPolarHBondContact OG-CA 3.27Å; S169-G174 PolarHBondContact OG-O 3.13Å; T171-G174 WeakPolarHBondContact O-CA 3.41Å; T171-G174 PolarHBondContact O-N 3.27Å; F172-G174 VanDerWaalsContact C-N 3.26Å; G174-L208 WeakPolarHBondContact O-CD2 3.38Å |
| 175 | N | 84.9 | Confident | 89.3 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | trans | -83.3 | -18.4 | -168.4 | 70.8 | -38.3 | 0 | 0 | 0 | 115.2 | T171 Q173 E194 I195 L197 | T171-N175 PolarHBondContact OG1-N 3.31Å; T171-N175 PolarHBondContact OG1-OD1 2.99Å; Q173-N175 HydrophobicContact CB-CB 4.49Å; Q173-N175 PolarHBondContact O-N 3.43Å; N175-E194 WeakPolarHBondContact ND2-CG 3.43Å; N175-E194 PolarHBondContact ND2-OE1 3.28Å; N175-E194 WeakPolarHBondContact O-CA 3.36Å; N175-I195 PolarHBondContact O-N 2.71Å; N175-L197 HydrophobicContact CB-CD1 3.88Å; N175-L197 HydrophobicContact CB-CG 4Å | ||
| 176 | V | 90.9 | Very high | 89.1 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.1 | 175.3 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | T170 T171 K192 E194 | T170-V176 PolarHBondContact N-O 3.16Å; T170-V176 VanDerWaalsContact N-O 3.16Å; T170-V176 PolarHBondContact OG1-O 3.45Å; T170-V176 VanDerWaalsContact OG1-O 3.06Å; T171-V176 HydrophobicContact CG2-CB 3.65Å; T171-V176 HydrophobicContact CG2-CG2 3.54Å; T171-V176 PolarHBondContact OG1-N 3.49Å; V176-K192 HydrophobicContact CG1-CD 4.34Å; V176-E194 HydrophobicContact CG2-CB 4.26Å; V176-E194 HydrophobicContact CG2-CG 3.98Å |
| 177 | L | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.6 | -178 | -54.5 | -173.8 | 0 | 0 | 0 | 110.9 | W156 L167 L168 K192 F193 I195 I213 V224 | W156-L177 HydrophobicContact CH2-CD2 3.6Å; W156-L177 HydrophobicContact CZ2-CD2 3.91Å; L167-L177 HydrophobicContact CD1-CB 3.86Å; L167-L177 HydrophobicContact CD1-CD1 4.5Å; L167-L177 HydrophobicContact CD2-CD1 3.81Å; L167-L177 HydrophobicContact CG-CB 4.25Å; L167-L177 HydrophobicContact CG-CD1 4.29Å; L168-L177 CarbonylContact O-C 3.2Å; L168-L177 VanDerWaalsContact O-CA 3.31Å; L168-L177 WeakPolarHBondContact O-CA 3.4Å; L177-K192 WeakPolarHBondContact O-CA 3.4Å; L177-F193 HydrophobicContact CB-CE1 4.03Å; L177-F193 HydrophobicContact CB-CE2 4.27Å; L177-F193 HydrophobicContact CB-CZ 3.88Å; L177-F193 HydrophobicContact CD1-CE2 4.04Å; L177-F193 HydrophobicContact CD1-CZ 3.88Å; L177-F193 HydrophobicContact CG-CZ 4.41Å; L177-F193 PolarHBondContact N-O 3.49Å; L177-F193 PolarHBondContact O-N 3.04Å; L177-F193 VanDerWaalsContact O-N 3.07Å; L177-I195 HydrophobicContact CD1-CD1 3.48Å; L177-I195 VanDerWaalsContact CD1-CD1 3.48Å; L177-I195 HydrophobicContact CD1-CG1 4.27Å; L177-I195 HydrophobicContact CG-CD1 4.24Å; L177-I213 HydrophobicContact CD1-CD1 3.82Å; L177-I213 HydrophobicContact CD2-CD1 4.39Å; L177-V224 HydrophobicContact CD1-CG1 4.26Å |
| 178 | Q | 94.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 105 | 179.8 | 177.1 | 64 | 78.5 | 0 | 0 | 109.2 | I152 L168 T170 F180 M190 | I152-Q178 HydrophobicContact CD1-CB 4.16Å; I152-Q178 HydrophobicContact CD1-CG 3.92Å; L168-Q178 PolarHBondContact N-O 3.39Å; L168-Q178 PolarHBondContact O-N 3.37Å; T170-Q178 HydrophobicContact CG2-CB 3.99Å; Q178-F180 HydrophobicContact CB-CE2 4.42Å; Q178-F180 HydrophobicContact CG-CD2 4.19Å; Q178-F180 HydrophobicContact CG-CE2 3.4Å; Q178-F180 VanDerWaalsContact CG-CE2 3.4Å; Q178-F180 HydrophobicContact CG-CZ 3.83Å; Q178-M190 PolarHBondContact NE2-O 3.08Å |
| 179 | P | 95.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 148.3 | 174.8 | 14.5 | -5 | 0 | 0 | 0 | 112.4 | V165 I166 L167 M190 F193 L246 | V165-P179 HydrophobicContact CG1-CB 4.14Å; I166-P179 CarbonylContact O-C 3.59Å; I166-P179 VanDerWaalsContact O-CA 3.31Å; I166-P179 WeakPolarHBondContact O-CA 3.49Å; L167-P179 HydrophobicContact CD1-CB 3.87Å; L167-P179 HydrophobicContact CD1-CG 4.05Å; P179-M190 HydrophobicContact CB-CB 3.98Å; P179-M190 HydrophobicContact CB-CG 4.4Å; P179-M190 HydrophobicContact CB-SD 3.95Å; P179-M190 HydrophobicContact CG-CB 3.78Å; P179-M190 HydrophobicContact CG-SD 4.48Å; P179-M190 WeakPolarHBondContact O-CB 3.49Å; P179-M190 PolarHBondContact O-N 3.39Å; P179-F193 HydrophobicContact CG-CE1 4.25Å; P179-L246 HydrophobicContact CB-CD2 3.73Å; P179-L246 HydrophobicContact CG-CD1 3.74Å; P179-L246 HydrophobicContact CG-CD2 3.77Å; P179-L246 HydrophobicContact CG-CG 4.39Å |
| 180 | F | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.5 | 170.4 | -70.1 | -91.5 | 0 | 0 | 0 | 109.2 | I132 Q150 V165 I166 L168 Q178 F182 M187 S188 K189 | I132-F180 HydrophobicContact CD1-CB 4.49Å; I132-F180 HydrophobicContact CD1-CD2 3.48Å; I132-F180 VanDerWaalsContact CD1-CD2 3.48Å; I132-F180 HydrophobicContact CD1-CE2 3.73Å; I132-F180 HydrophobicContact CD1-CG 3.94Å; I132-F180 HydrophobicContact CD1-CZ 4.39Å; Q150-F180 HydrophobicContact CB-CE1 4.42Å; Q150-F180 HydrophobicContact CG-CE1 4.13Å; Q150-F180 HydrophobicContact CG-CZ 3.92Å; V165-F180 CarbonylContact C-O 3.52Å; V165-F180 WeakPolarHBondContact CA-O 3.37Å; I166-F180 PolarHBondContact N-O 2.99Å; I166-F180 PolarHBondContact O-N 3.3Å; L168-F180 HydrophobicContact CD1-CD2 4.17Å; L168-F180 HydrophobicContact CD1-CE2 3.8Å; L168-F180 HydrophobicContact CG-CD2 4.3Å; L168-F180 HydrophobicContact CG-CE2 4.32Å; Q178-F180 HydrophobicContact CB-CE2 4.42Å; Q178-F180 HydrophobicContact CG-CD2 4.19Å; Q178-F180 HydrophobicContact CG-CE2 3.4Å; Q178-F180 VanDerWaalsContact CG-CE2 3.4Å; Q178-F180 HydrophobicContact CG-CZ 3.83Å; F180-F182 HydrophobicContact CB-CE2 3.86Å; F180-F182 HydrophobicContact CB-CZ 4.11Å; F180-M187 HydrophobicContact CD1-CE 4.19Å; F180-M187 HydrophobicContact CD1-CG 4.27Å; F180-M187 HydrophobicContact CD1-SD 4.46Å; F180-M187 HydrophobicContact CE1-CE 4.17Å; F180-S188 WeakPolarHBondContact CA-O 3.45Å; F180-K189 HydrophobicContact CD1-CB 4.15Å; F180-K189 HydrophobicContact CD1-CG 4.36Å; F180-K189 HydrophobicContact CE1-CB 3.86Å; F180-K189 HydrophobicContact CE1-CD 4.28Å; F180-K189 HydrophobicContact CE1-CG 3.78Å; F180-K189 HydrophobicContact CZ-CD 4.47Å; F180-K189 HydrophobicContact CZ-CG 4.17Å |
| 181 | A | 93.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V165 S188 M190 | V165-A181 HydrophobicContact CG2-CB 4.06Å; A181-S188 PolarHBondContact N-O 2.98Å; A181-S188 PolarHBondContact O-N 2.62Å; A181-S188 PolarHBondContact O-OG 3.24Å; A181-M190 HydrophobicContact CB-CG 4.27Å; A181-M190 HydrophobicContact CB-SD 3.84Å |
| 182 | F | 92.1 | Very high | 89.1 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.3 | -179.7 | -61.9 | -92.8 | 0 | 0 | 0 | 109.7 | T119 V125 F134 A164 I166 F180 T186 M187 | T119-F182 HydrophobicContact CG2-CB 3.75Å; T119-F182 HydrophobicContact CG2-CD1 4.07Å; T119-F182 HydrophobicContact CG2-CD2 4.11Å; T119-F182 HydrophobicContact CG2-CG 3.7Å; V125-F182 HydrophobicContact CG1-CE1 4.33Å; V125-F182 HydrophobicContact CG1-CZ 3.99Å; V125-F182 HydrophobicContact CG2-CD1 3.9Å; V125-F182 HydrophobicContact CG2-CE1 3.44Å; V125-F182 VanDerWaalsContact CG2-CE1 3.44Å; V125-F182 HydrophobicContact CG2-CE2 4.37Å; V125-F182 HydrophobicContact CG2-CZ 3.72Å; F134-F182 HydrophobicContact CB-CE1 4.44Å; F134-F182 HydrophobicContact CD2-CD1 4.19Å; F134-F182 HydrophobicContact CD2-CE1 4.13Å; F134-F182 HydrophobicContact CE2-CD1 4.11Å; F134-F182 HydrophobicContact CG-CD1 4.42Å; F134-F182 HydrophobicContact CG-CE1 4.17Å; F134-F182 HydrophobicContact CZ-CD1 4.3Å; A164-F182 HydrophobicContact CB-CB 4.31Å; A164-F182 WeakPolarHBondContact O-CD2 3.48Å; A164-F182 PolarHBondContact O-N 3.36Å; I166-F182 HydrophobicContact CB-CE2 4.02Å; I166-F182 HydrophobicContact CD1-CD2 4.3Å; I166-F182 HydrophobicContact CD1-CE2 3.51Å; I166-F182 HydrophobicContact CD1-CZ 3.93Å; I166-F182 HydrophobicContact CG1-CD2 4.34Å; I166-F182 HydrophobicContact CG1-CE2 3.75Å; F180-F182 HydrophobicContact CB-CE2 3.86Å; F180-F182 HydrophobicContact CB-CZ 4.11Å; F182-T186 WeakPolarHBondContact CA-O 3.48Å; F182-M187 HydrophobicContact CD1-CB 4.01Å; F182-M187 HydrophobicContact CD1-CG 4.17Å; F182-M187 HydrophobicContact CE1-CB 3.85Å; F182-M187 HydrophobicContact CE1-CG 3.59Å; F182-M187 HydrophobicContact CE1-SD 4.03Å; F182-M187 HydrophobicContact CZ-CG 4.02Å; F182-M187 HydrophobicContact CZ-SD 4.35Å |
| 183 | K | 88.3 | Confident | 89.8 | Confident | 161 Ų | 161 | 45.2 Ų | 45.2 | 70% | 0.7 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 109.1 | 174.3 | -175.1 | 178.4 | -178.2 | -179.6 | 0 | 108.7 | G185 T186 | K183-G185 PolarHBondContact O-N 3.32Å; K183-T186 PolarHBondContact N-O 2.96Å; K183-T186 WeakPolarHBondContact O-CA 3.36Å; K183-T186 WeakPolarHBondContact O-CB 3.24Å; K183-T186 PolarHBondContact O-N 2.62Å; K183-T186 PolarHBondContact O-OG1 3.23Å |
| 184 | S | 83.6 | Confident | 90.4 | Very high | 94 Ų | 94 | 46.5 Ų | 46.5 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 27.5 | 77.1 | 173.9 | -55.3 | 0 | 0 | 0 | 0 | 114.2 | T186 | S184-T186 VanDerWaalsContact C-N 3.29Å; S184-T186 PolarHBondContact O-N 2.96Å |
| 185 | G | 84.3 | Confident | 90.8 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -2.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E123 K183 | E123-G185 VanDerWaalsContact CD-N 3.27Å; E123-G185 PolarHBondContact OE1-N 3.36Å; E123-G185 PolarHBondContact OE2-N 2.93Å; E123-G185 VanDerWaalsContact OE2-N 3.08Å; K183-G185 PolarHBondContact O-N 3.32Å |
| 186 | T | 89.6 | Confident | 90.6 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.1 | 173.8 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | F182 K183 S184 | F182-T186 WeakPolarHBondContact CA-O 3.48Å; K183-T186 PolarHBondContact N-O 2.96Å; K183-T186 WeakPolarHBondContact O-CA 3.36Å; K183-T186 WeakPolarHBondContact O-CB 3.24Å; K183-T186 PolarHBondContact O-N 2.62Å; K183-T186 PolarHBondContact O-OG1 3.23Å; S184-T186 VanDerWaalsContact C-N 3.29Å; S184-T186 PolarHBondContact O-N 2.96Å |
| 187 | M | 93.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.3 | 175 | 171.9 | -167.1 | 106.1 | 0 | 0 | 109.1 | F134 K148 Q150 F180 F182 | F134-M187 HydrophobicContact CB-SD 4.3Å; F134-M187 HydrophobicContact CD1-CB 4.05Å; F134-M187 HydrophobicContact CE1-CB 4.49Å; K148-M187 HydrophobicContact CB-CE 4.33Å; K148-M187 HydrophobicContact CB-SD 4.31Å; K148-M187 HydrophobicContact CD-CB 4.17Å; K148-M187 HydrophobicContact CD-CE 3.74Å; K148-M187 HydrophobicContact CD-SD 4.41Å; K148-M187 HydrophobicContact CG-CE 3.75Å; K148-M187 HydrophobicContact CG-SD 4.37Å; K148-M187 PolarHBondContact NZ-O 3.24Å; Q150-M187 HydrophobicContact CB-CE 3.97Å; F180-M187 HydrophobicContact CD1-CE 4.19Å; F180-M187 HydrophobicContact CD1-CG 4.27Å; F180-M187 HydrophobicContact CD1-SD 4.46Å; F180-M187 HydrophobicContact CE1-CE 4.17Å; F182-M187 HydrophobicContact CD1-CB 4.01Å; F182-M187 HydrophobicContact CD1-CG 4.17Å; F182-M187 HydrophobicContact CE1-CB 3.85Å; F182-M187 HydrophobicContact CE1-CG 3.59Å; F182-M187 HydrophobicContact CE1-SD 4.03Å; F182-M187 HydrophobicContact CZ-CG 4.02Å; F182-M187 HydrophobicContact CZ-SD 4.35Å |
| 188 | S | 92 | Very high | 88.9 | Confident | 62 Ų | 62 | 55 Ų | 55 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.8 | 177.9 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | F180 A181 | F180-S188 WeakPolarHBondContact CA-O 3.45Å; A181-S188 PolarHBondContact N-O 2.98Å; A181-S188 PolarHBondContact O-N 2.62Å; A181-S188 PolarHBondContact O-OG 3.24Å |
| 189 | K | 92.8 | Very high | 87.5 | Confident | 117 Ų | 117 | 61.8 Ų | 61.8 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124 | 175.5 | -176.4 | 179.7 | -179.7 | 179.6 | 0 | 108.3 | F180 | F180-K189 HydrophobicContact CD1-CB 4.15Å; F180-K189 HydrophobicContact CD1-CG 4.36Å; F180-K189 HydrophobicContact CE1-CB 3.86Å; F180-K189 HydrophobicContact CE1-CD 4.28Å; F180-K189 HydrophobicContact CE1-CG 3.78Å; F180-K189 HydrophobicContact CZ-CD 4.47Å; F180-K189 HydrophobicContact CZ-CG 4.17Å |
| 190 | M | 92.1 | Very high | 85.8 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 171 | 178.5 | -61.4 | -179.1 | 68.1 | 0 | 0 | 111 | V165 Q178 P179 A181 K192 L246 P247 | V165-M190 HydrophobicContact CG1-SD 4.38Å; V165-M190 HydrophobicContact CG2-SD 4.46Å; Q178-M190 PolarHBondContact NE2-O 3.08Å; P179-M190 HydrophobicContact CB-CB 3.98Å; P179-M190 HydrophobicContact CB-CG 4.4Å; P179-M190 HydrophobicContact CB-SD 3.95Å; P179-M190 HydrophobicContact CG-CB 3.78Å; P179-M190 HydrophobicContact CG-SD 4.48Å; P179-M190 WeakPolarHBondContact O-CB 3.49Å; P179-M190 PolarHBondContact O-N 3.39Å; A181-M190 HydrophobicContact CB-CG 4.27Å; A181-M190 HydrophobicContact CB-SD 3.84Å; M190-K192 PolarHBondContact O-N 3.12Å; M190-L246 HydrophobicContact CE-CD1 3.88Å; M190-L246 HydrophobicContact CE-CD2 4.14Å; M190-L246 HydrophobicContact CE-CG 3.69Å; M190-L246 HydrophobicContact SD-CD2 4.47Å; M190-P247 WeakPolarHBondContact CE-O 3.47Å |
| 191 | S | 90.6 | Very high | 83.9 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 123.9 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | G250 | S191-G250 WeakPolarHBondContact CB-O 3.28Å; S191-G250 PolarHBondContact OG-O 3.16Å |
| 192 | K | 91.7 | Very high | 82 | Confident | 149 Ų | 149 | 78.9 Ų | 78.9 | 65% | 0.648 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 150.3 | 169.3 | 64.1 | 176.7 | -177.2 | 172.8 | 0 | 110.4 | V176 L177 M190 | V176-K192 HydrophobicContact CG1-CD 4.34Å; L177-K192 WeakPolarHBondContact O-CA 3.4Å; M190-K192 PolarHBondContact O-N 3.12Å |
| 193 | F | 91.9 | Very high | 79.9 | Confident | 20 Ų | 20 | 84.8 Ų | 84.8 | 9% | 0.088 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.8 | 174.7 | 66.4 | -83.4 | 0 | 0 | 0 | 110.3 | L167 L177 P179 I195 V224 Y244 L246 C252 | L167-F193 HydrophobicContact CD1-CE1 4.26Å; L167-F193 HydrophobicContact CD1-CZ 4.48Å; L177-F193 HydrophobicContact CB-CE1 4.03Å; L177-F193 HydrophobicContact CB-CE2 4.27Å; L177-F193 HydrophobicContact CB-CZ 3.88Å; L177-F193 HydrophobicContact CD1-CE2 4.04Å; L177-F193 HydrophobicContact CD1-CZ 3.88Å; L177-F193 HydrophobicContact CG-CZ 4.41Å; L177-F193 PolarHBondContact N-O 3.49Å; L177-F193 PolarHBondContact O-N 3.04Å; L177-F193 VanDerWaalsContact O-N 3.07Å; P179-F193 HydrophobicContact CG-CE1 4.25Å; F193-I195 HydrophobicContact CD2-CG1 4.5Å; F193-I195 HydrophobicContact CE2-CD1 4.45Å; F193-I195 HydrophobicContact CE2-CG1 4.12Å; F193-V224 HydrophobicContact CZ-CB 4.26Å; F193-V224 HydrophobicContact CZ-CG1 4.31Å; F193-V224 HydrophobicContact CZ-CG2 4.05Å; F193-Y244 HydrophobicContact CD2-CD1 4.43Å; F193-Y244 HydrophobicContact CE2-CD1 4.45Å; F193-Y244 HydrophobicContact CE2-CG 4.29Å; F193-L246 HydrophobicContact CE1-CD1 4.27Å; F193-C252 HydrophobicContact CB-CB 3.62Å; F193-C252 HydrophobicContact CD1-CB 3.64Å; F193-C252 HydrophobicContact CD2-CB 4.23Å; F193-C252 HydrophobicContact CE1-CB 4.36Å; F193-C252 HydrophobicContact CG-CB 3.56Å; F193-C252 VanDerWaalsContact CG-SG 3.58Å |
| 194 | E | 90.2 | Very high | 78.2 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.3 | -176.9 | -172.5 | 170.1 | -177.9 | 0 | 0 | 109.8 | N175 V176 | N175-E194 WeakPolarHBondContact ND2-CG 3.43Å; N175-E194 PolarHBondContact ND2-OE1 3.28Å; N175-E194 WeakPolarHBondContact O-CA 3.36Å; V176-E194 HydrophobicContact CG2-CB 4.26Å; V176-E194 HydrophobicContact CG2-CG 3.98Å |
| 195 | I | 88.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 46% | 0.456 | C | S | . | . | trans | -91.9 | 126.3 | 172.8 | -66.6 | 177.1 | 0 | 0 | 0 | 108.4 | N175 L177 F193 L197 L208 I213 Y226 Y244 | N175-I195 PolarHBondContact O-N 2.71Å; L177-I195 HydrophobicContact CD1-CD1 3.48Å; L177-I195 VanDerWaalsContact CD1-CD1 3.48Å; L177-I195 HydrophobicContact CD1-CG1 4.27Å; L177-I195 HydrophobicContact CG-CD1 4.24Å; F193-I195 HydrophobicContact CD2-CG1 4.5Å; F193-I195 HydrophobicContact CE2-CD1 4.45Å; F193-I195 HydrophobicContact CE2-CG1 4.12Å; I195-L197 PolarHBondContact O-N 3.45Å; I195-L208 HydrophobicContact CB-CD2 4.39Å; I195-L208 HydrophobicContact CD1-CD2 3.94Å; I195-I213 HydrophobicContact CD1-CD1 4.1Å; I195-Y226 HydrophobicContact CD1-CG 4.32Å; I195-Y226 HydrophobicContact CG2-CD1 3.41Å; I195-Y226 VanDerWaalsContact CG2-CD1 3.41Å; I195-Y226 HydrophobicContact CG2-CD2 4.3Å; I195-Y226 HydrophobicContact CG2-CE1 3.47Å; I195-Y226 VanDerWaalsContact CG2-CE1 3.47Å; I195-Y226 HydrophobicContact CG2-CE2 4.38Å; I195-Y226 HydrophobicContact CG2-CG 3.84Å; I195-Y244 HydrophobicContact CG1-CE2 4.12Å | ||
| 196 | E | 80.4 | Confident | 75.9 | Confident | 146 Ų | 146 | 86.1 Ų | 86.1 | 68% | 0.682 | 46% | 0.461 | S | S | * | . | trans | -71.3 | 108.5 | 175.7 | -66.7 | 174.3 | -179.5 | 0 | 0 | 110 | ||||
| 197 | L | 79.1 | Confident | 75.1 | Confident | 38 Ų | 38 | 86 Ų | 86 | 20% | 0.199 | 46% | 0.457 | C | S | . | . | trans | -78.1 | 146.6 | 176.5 | -63.7 | 179.3 | 0 | 0 | 0 | 111.2 | Q173 N175 I195 V199 L208 | Q173-L197 HydrophobicContact CB-CD1 4.27Å; N175-L197 HydrophobicContact CB-CD1 3.88Å; N175-L197 HydrophobicContact CB-CG 4Å; I195-L197 PolarHBondContact O-N 3.45Å; L197-V199 PolarHBondContact O-N 3.13Å; L197-L208 HydrophobicContact CD2-CB 4.36Å; L197-L208 HydrophobicContact CD2-CD1 4.45Å | ||
| 198 | P | 69.6 | Low | 74.6 | Confident | 27 Ų | 27 | 85.9 Ų | 85.9 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | trans | -60 | 135.5 | 174.1 | -15.1 | 26.2 | 0 | 0 | 0 | 111.5 | V200 K228 | P198-V200 PolarHBondContact O-N 3.32Å; P198-K228 HydrophobicContact CG-CG 4.04Å | ||
| 199 | V | 63.9 | Low | 74.3 | Confident | 148 Ų | 148 | 85.1 Ų | 85.1 | 90% | 0.897 | 45% | 0.451 | S | S | * | . | trans | -76.2 | 106.8 | 173.6 | -176 | 0 | 0 | 0 | 0 | 108.5 | L197 | L197-V199 PolarHBondContact O-N 3.13Š| ||
| 200 | V | 59.8 | Low | 73.9 | Confident | 44 Ų | 44 | 84.6 Ų | 84.6 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 133.8 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 110 | P198 K202 A204 L206 | P198-V200 PolarHBondContact O-N 3.32Å; V200-K202 PolarHBondContact O-N 2.87Å; V200-A204 HydrophobicContact CG1-CB 4.19Å; V200-L206 HydrophobicContact CB-CD1 4.45Å; V200-L206 HydrophobicContact CG2-CD1 3.36Å; V200-L206 HydrophobicContact CG2-CG 4.47Å |
| 201 | P | 54.3 | Low | 73.5 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 74% | 0.74 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 130.9 | 172.2 | -19.3 | 31.2 | 0 | 0 | 0 | 110.1 | ||
| 202 | K | 53.3 | Low | 73.4 | Confident | 205 Ų | 205 | 93.5 Ų | 93.5 | 89% | 0.891 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -59.8 | 144.5 | -174.5 | -71.5 | 178.1 | 179.5 | 173.9 | 0 | 111.9 | V200 | V200-K202 PolarHBondContact O-N 2.87Š|
| 203 | P | 49.2 | Very low | 73.4 | Confident | 132 Ų | 132 | 86.9 Ų | 86.9 | 86% | 0.857 | 45% | 0.449 | S | S | * | . | S | Bend | cis | -106.6 | 116.7 | 2.9 | 34.2 | -21.5 | 0 | 0 | 0 | 112.8 | ||
| 204 | A | 53.1 | Low | 73.4 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | trans | -152.9 | 110.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V200 L206 | V200-A204 HydrophobicContact CG1-CB 4.19Å; A204-L206 PolarHBondContact O-N 3.35Å | ||
| 205 | K | 54.9 | Low | 73.6 | Confident | 174 Ų | 174 | 81.3 Ų | 81.3 | 76% | 0.757 | 43% | 0.425 | S | S | * | . | trans | -75.3 | 103 | 166.2 | -74.7 | -179.6 | 179.6 | 177.9 | 0 | 106.6 | N207 | K205-N207 PolarHBondContact O-N 3.41Š| ||
| 206 | L | 63.2 | Low | 73.8 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 118.5 | 167.5 | -82.5 | 157 | 0 | 0 | 0 | 108 | V200 A204 | V200-L206 HydrophobicContact CB-CD1 4.45Å; V200-L206 HydrophobicContact CG2-CD1 3.36Å; V200-L206 HydrophobicContact CG2-CG 4.47Å; A204-L206 PolarHBondContact O-N 3.35Å |
| 207 | N | 74.1 | Confident | 74.3 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 135.8 | 167.9 | -69.8 | -15.8 | 0 | 0 | 0 | 107.9 | K205 S209 | K205-N207 PolarHBondContact O-N 3.41Å; N207-S209 PolarHBondContact O-N 2.93Å |
| 208 | L | 82.3 | Confident | 74.9 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 121.6 | 176.2 | -171.5 | 59.1 | 0 | 0 | 0 | 109.9 | W156 Q173 G174 I195 L197 D212 I213 Y226 | W156-L208 HydrophobicContact CZ2-CD2 4.5Å; W156-L208 HydrophobicContact CZ2-CG 4.32Å; W156-L208 PolarHBondContact NE1-O 3.38Å; Q173-L208 PolarHBondContact O-N 3.2Å; G174-L208 WeakPolarHBondContact O-CD2 3.38Å; I195-L208 HydrophobicContact CB-CD2 4.39Å; I195-L208 HydrophobicContact CD1-CD2 3.94Å; L197-L208 HydrophobicContact CD2-CB 4.36Å; L197-L208 HydrophobicContact CD2-CD1 4.45Å; L208-D212 HydrophobicContact CD1-CB 3.81Å; L208-I213 HydrophobicContact CD1-CD1 4.11Å; L208-I213 HydrophobicContact CD1-CG1 4.21Å; L208-I213 HydrophobicContact CD2-CD1 3.53Å; L208-I213 HydrophobicContact CD2-CG1 4.44Å; L208-I213 HydrophobicContact CG-CD1 3.77Å; L208-I213 HydrophobicContact CG-CG1 4.39Å; L208-Y226 HydrophobicContact CD1-CD2 3.76Å; L208-Y226 HydrophobicContact CD1-CE2 3.33Å |
| 209 | S | 85.3 | Confident | 75.7 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 161.6 | 179.5 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | N207 R211 D212 | N207-S209 PolarHBondContact O-N 2.93Å; S209-R211 PolarHBondContact O-N 2.9Å; S209-R211 PolarHBondContact OG-N 3.22Å; S209-D212 WeakPolarHBondContact CB-OD2 3.37Å; S209-D212 PolarHBondContact N-OD2 3.1Å; S209-D212 PolarHBondContact O-N 3.44Å; S209-D212 VanDerWaalsContact O-N 3.15Å; S209-D212 VanDerWaalsContact OG-CG 3.29Å; S209-D212 PolarHBondContact OG-OD2 3.32Å |
| 210 | E | 84.4 | Confident | 76.8 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -55 | -34 | 172.6 | -175.1 | -173.3 | 160.3 | 0 | 0 | 112 | W156 M158 D212 I213 | W156-E210 HydrophobicContact CB-CB 4.48Å; W156-E210 HydrophobicContact CD2-CB 4.23Å; W156-E210 HydrophobicContact CE3-CB 4.33Å; W156-E210 HydrophobicContact CG-CB 4.3Å; M158-E210 HydrophobicContact CG-CG 4.08Å; E210-D212 PolarHBondContact O-N 2.96Å; E210-I213 PolarHBondContact O-N 2.89Å; E210-I213 VanDerWaalsContact O-O 3.06Å |
| 211 | R | 85 | Confident | 78.2 | Confident | 229 Ų | 229 | 73 Ų | 73 | 86% | 0.864 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -69.5 | -20.3 | -178.1 | -61 | -176.5 | -179 | -165.6 | -1.3 | 113.7 | S209 I213 | S209-R211 PolarHBondContact O-N 2.9Å; S209-R211 PolarHBondContact OG-N 3.22Å; R211-I213 VanDerWaalsContact C-N 3.3Å |
| 212 | D | 87.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.16 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -86.2 | -6.2 | -178.7 | -54.8 | -51.3 | 0 | 0 | 0 | 112 | L208 S209 E210 Y226 L227 H229 | L208-D212 HydrophobicContact CD1-CB 3.81Å; S209-D212 WeakPolarHBondContact CB-OD2 3.37Å; S209-D212 PolarHBondContact N-OD2 3.1Å; S209-D212 PolarHBondContact O-N 3.44Å; S209-D212 VanDerWaalsContact O-N 3.15Å; S209-D212 VanDerWaalsContact OG-CG 3.29Å; S209-D212 PolarHBondContact OG-OD2 3.32Å; E210-D212 PolarHBondContact O-N 2.96Å; D212-Y226 HydrophobicContact CB-CD2 4.43Å; D212-Y226 HydrophobicContact CB-CE2 4.3Å; D212-L227 PolarHBondContact O-N 3.01Å; D212-H229 IonicContact OD1-CD2 3.49Å; D212-H229 IonicContact OD1-NE2 3.85Å |
| 213 | I | 91.8 | Very high | 82 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.5 | -175.8 | -56.5 | 170.8 | 0 | 0 | 0 | 110.6 | W156 M158 L177 I195 L208 E210 R211 V224 M225 Y226 | W156-I213 HydrophobicContact CH2-CD1 3.31Å; W156-I213 HydrophobicContact CH2-CG1 4.45Å; W156-I213 HydrophobicContact CZ2-CD1 3.57Å; W156-I213 HydrophobicContact CZ3-CD1 4.43Å; M158-I213 HydrophobicContact CE-CB 3.53Å; M158-I213 HydrophobicContact CE-CG2 3.19Å; M158-I213 HydrophobicContact SD-CB 4.21Å; M158-I213 HydrophobicContact SD-CG2 4.2Å; M158-I213 VanDerWaalsContact SD-O 3.42Å; L177-I213 HydrophobicContact CD1-CD1 3.82Å; L177-I213 HydrophobicContact CD2-CD1 4.39Å; I195-I213 HydrophobicContact CD1-CD1 4.1Å; L208-I213 HydrophobicContact CD1-CD1 4.11Å; L208-I213 HydrophobicContact CD1-CG1 4.21Å; L208-I213 HydrophobicContact CD2-CD1 3.53Å; L208-I213 HydrophobicContact CD2-CG1 4.44Å; L208-I213 HydrophobicContact CG-CD1 3.77Å; L208-I213 HydrophobicContact CG-CG1 4.39Å; E210-I213 PolarHBondContact O-N 2.89Å; E210-I213 VanDerWaalsContact O-O 3.06Å; R211-I213 VanDerWaalsContact C-N 3.3Å; I213-V224 HydrophobicContact CG2-CG1 3.5Å; I213-M225 CarbonylContact C-O 3.58Å; I213-M225 VanDerWaalsContact CA-O 3.27Å; I213-M225 WeakPolarHBondContact CA-O 3.35Å; I213-Y226 HydrophobicContact CG1-CD2 4.35Å |
| 214 | A | 92.6 | Very high | 84.2 | Confident | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | M225 L268 Q343 | A214-M225 HydrophobicContact CB-CB 4.37Å; A214-M225 HydrophobicContact CB-CE 3.58Å; A214-M225 PolarHBondContact N-O 3.25Å; A214-M225 PolarHBondContact O-N 2.87Å; A214-L268 HydrophobicContact CB-CB 4.3Å; A214-L268 HydrophobicContact CB-CD1 4.01Å; A214-Q343 HydrophobicContact CB-CG 4.28Å |
| 215 | V | 93.3 | Very high | 86.1 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 9% | 0.085 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123 | 178.1 | -175 | 0 | 0 | 0 | 0 | 109 | M158 C160 L167 L222 Y223 V224 | M158-V215 HydrophobicContact CE-CG2 3.76Å; M158-V215 HydrophobicContact SD-CG2 4.28Å; C160-V215 HydrophobicContact CB-CB 4.43Å; C160-V215 HydrophobicContact CB-CG1 3.83Å; L167-V215 HydrophobicContact CD2-CG2 3.79Å; V215-L222 HydrophobicContact CG1-CD1 3.64Å; V215-L222 HydrophobicContact CG1-CG 4.37Å; V215-Y223 WeakPolarHBondContact CA-O 3.41Å; V215-V224 HydrophobicContact CG2-CG2 4.3Å |
| 216 | A | 92.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y223 M225 V270 Q343 | A216-Y223 PolarHBondContact N-O 3.14Å; A216-Y223 VanDerWaalsContact N-O 3.09Å; A216-Y223 PolarHBondContact O-N 2.92Å; A216-M225 HydrophobicContact CB-CE 3.83Å; A216-V270 HydrophobicContact CB-CB 4.09Å; A216-V270 HydrophobicContact CB-CG2 3.52Å; A216-Q343 HydrophobicContact CB-CG 4.5Å |
| 217 | N | 91.7 | Very high | 89.2 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.8 | 171.3 | -170.5 | 17.4 | 0 | 0 | 0 | 109.3 | E162 G220 Q221 | E162-N217 WeakPolarHBondContact OE2-CB 3.32Å; N217-G220 VanDerWaalsContact OD1-CA 3.26Å; N217-G220 WeakPolarHBondContact OD1-CA 3.33Å; N217-Q221 WeakPolarHBondContact CA-O 3.29Å; N217-Q221 VanDerWaalsContact OD1-C 3.29Å; N217-Q221 PolarHBondContact OD1-N 3.48Å; N217-Q221 PolarHBondContact OD1-O 3.47Å; N217-Q221 VanDerWaalsContact OD1-O 3.14Å |
| 218 | I | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.1 | -179 | -46.9 | 175.8 | 0 | 0 | 0 | 107.7 | G220 Q221 Y223 M225 L243 V270 N273 V275 I290 | I218-G220 PolarHBondContact O-N 3.25Å; I218-Q221 PolarHBondContact N-O 3.17Å; I218-Q221 PolarHBondContact O-N 3.43Å; I218-Q221 VanDerWaalsContact O-N 3.08Å; I218-Y223 HydrophobicContact CB-CD2 3.75Å; I218-Y223 HydrophobicContact CB-CE2 4.03Å; I218-Y223 HydrophobicContact CD1-CD2 4.08Å; I218-Y223 HydrophobicContact CD1-CG 4.41Å; I218-Y223 HydrophobicContact CG1-CD2 4.02Å; I218-M225 HydrophobicContact CD1-SD 4.18Å; I218-L243 HydrophobicContact CD1-CD2 4.13Å; I218-V270 HydrophobicContact CD1-CG2 4.15Å; I218-V270 HydrophobicContact CG1-CG1 4.07Å; I218-V270 HydrophobicContact CG1-CG2 4.19Å; I218-N273 HydrophobicContact CG2-CB 4.17Å; I218-N273 VanDerWaalsContact CG2-O 3.3Å; I218-N273 WeakPolarHBondContact CG2-O 3.38Å; I218-V275 HydrophobicContact CD1-CG2 3.62Å; I218-I290 HydrophobicContact CB-CD1 4.21Å; I218-I290 HydrophobicContact CG2-CD1 3.67Å; I218-I290 HydrophobicContact CG2-CG1 4.15Å |
| 219 | Y | 88 | Confident | 89.6 | Confident | 37 Ų | 37 | 40 Ų | 40 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37.4 | -175.7 | -62.8 | -68.5 | 0 | 0 | 0 | 113.9 | Q221 N273 D289 I290 K291 R381 R382 | Y219-Q221 VanDerWaalsContact C-N 3.27Å; Y219-Q221 PolarHBondContact O-N 2.93Å; Y219-N273 HydrophobicContact CD1-CB 3.73Å; Y219-N273 HydrophobicContact CD2-CB 4.08Å; Y219-N273 HydrophobicContact CE1-CB 3.56Å; Y219-N273 HydrophobicContact CE2-CB 3.92Å; Y219-N273 HydrophobicContact CG-CB 4Å; Y219-N273 PolarHBondContact N-OD1 3.26Å; Y219-D289 WeakPolarHBondContact CE2-OD1 3.46Å; Y219-D289 PolarHBondContact OH-OD1 3.18Å; Y219-D289 PolarHBondContact OH-OD2 3.18Å; Y219-I290 HydrophobicContact CD2-CD1 4Å; Y219-I290 HydrophobicContact CD2-CG1 3.79Å; Y219-I290 HydrophobicContact CE2-CD1 4.45Å; Y219-I290 HydrophobicContact CE2-CG1 3.76Å; Y219-K291 HydrophobicContact CD1-CD 3.91Å; Y219-K291 HydrophobicContact CD2-CB 3.96Å; Y219-K291 HydrophobicContact CD2-CD 3.74Å; Y219-K291 HydrophobicContact CD2-CG 4.24Å; Y219-K291 HydrophobicContact CE1-CD 4.13Å; Y219-K291 HydrophobicContact CE2-CB 3.49Å; Y219-K291 VanDerWaalsContact CE2-CB 3.49Å; Y219-K291 HydrophobicContact CE2-CD 3.99Å; Y219-K291 HydrophobicContact CE2-CG 4.24Å; Y219-K291 HydrophobicContact CG-CD 3.7Å; Y219-R381 HydrophobicContact CE1-CB 4.25Å; Y219-R382 PolarHBondContact OH-NH1 2.96Å; Y219-R382 PolarHBondContact OH-NH2 3.33Å |
| 220 | G | 86.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 65% | 0.649 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 7.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N217 I218 | N217-G220 VanDerWaalsContact OD1-CA 3.26Å; N217-G220 WeakPolarHBondContact OD1-CA 3.33Å; I218-G220 PolarHBondContact O-N 3.25Å |
| 221 | Q | 90.1 | Very high | 87.5 | Confident | 77 Ų | 77 | 39 Ų | 39 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.2 | 175 | -60.2 | -177.6 | 9.9 | 0 | 0 | 110.7 | N217 I218 Y219 Y223 Q245 | N217-Q221 WeakPolarHBondContact CA-O 3.29Å; N217-Q221 VanDerWaalsContact OD1-C 3.29Å; N217-Q221 PolarHBondContact OD1-N 3.48Å; N217-Q221 PolarHBondContact OD1-O 3.47Å; N217-Q221 VanDerWaalsContact OD1-O 3.14Å; I218-Q221 PolarHBondContact N-O 3.17Å; I218-Q221 PolarHBondContact O-N 3.43Å; I218-Q221 VanDerWaalsContact O-N 3.08Å; Y219-Q221 VanDerWaalsContact C-N 3.27Å; Y219-Q221 PolarHBondContact O-N 2.93Å; Q221-Y223 HydrophobicContact CB-CD2 4.35Å; Q221-Y223 HydrophobicContact CB-CE2 3.69Å; Q221-Y223 VanDerWaalsContact O-CD2 3.22Å; Q221-Y223 WeakPolarHBondContact O-CD2 3.44Å; Q221-Y223 PolarHBondContact OE1-OH 3.23Å; Q221-Y223 VanDerWaalsContact OE1-OH 3.07Å; Q221-Q245 VanDerWaalsContact OE1-CD 3.28Å |
| 222 | L | 92.4 | Very high | 85.9 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.3 | 178.2 | -175 | 62.4 | 0 | 0 | 0 | 110.2 | T163 V165 V215 L246 | T163-L222 HydrophobicContact CG2-CD1 4.09Å; V165-L222 HydrophobicContact CB-CD2 3.96Å; V165-L222 HydrophobicContact CG1-CD2 4.04Å; V165-L222 HydrophobicContact CG2-CD2 3.75Å; V215-L222 HydrophobicContact CG1-CD1 3.64Å; V215-L222 HydrophobicContact CG1-CG 4.37Å; L222-L246 HydrophobicContact CD2-CB 4.4Å; L222-L246 HydrophobicContact CD2-CD2 3.84Å; L222-L246 HydrophobicContact CD2-CG 4.34Å; L222-L246 HydrophobicContact CG-CB 4.37Å; L222-L246 HydrophobicContact CG-CD2 4.5Å; L222-L246 PolarHBondContact O-N 3.48Å |
| 223 | Y | 93.9 | Very high | 84.1 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.1 | 176.6 | -70.9 | -84.2 | 0 | 0 | 0 | 111.6 | V215 A216 I218 Q221 L243 Y244 Q245 I290 | V215-Y223 WeakPolarHBondContact CA-O 3.41Å; A216-Y223 PolarHBondContact N-O 3.14Å; A216-Y223 VanDerWaalsContact N-O 3.09Å; A216-Y223 PolarHBondContact O-N 2.92Å; I218-Y223 HydrophobicContact CB-CD2 3.75Å; I218-Y223 HydrophobicContact CB-CE2 4.03Å; I218-Y223 HydrophobicContact CD1-CD2 4.08Å; I218-Y223 HydrophobicContact CD1-CG 4.41Å; I218-Y223 HydrophobicContact CG1-CD2 4.02Å; Q221-Y223 HydrophobicContact CB-CD2 4.35Å; Q221-Y223 HydrophobicContact CB-CE2 3.69Å; Q221-Y223 VanDerWaalsContact O-CD2 3.22Å; Q221-Y223 WeakPolarHBondContact O-CD2 3.44Å; Q221-Y223 PolarHBondContact OE1-OH 3.23Å; Q221-Y223 VanDerWaalsContact OE1-OH 3.07Å; Y223-L243 HydrophobicContact CD1-CB 3.99Å; Y223-L243 HydrophobicContact CD1-CD2 4.2Å; Y223-L243 HydrophobicContact CG-CD2 4.33Å; Y223-Y244 WeakPolarHBondContact CA-O 3.32Å; Y223-Q245 HydrophobicContact CD1-CB 4.04Å; Y223-Q245 HydrophobicContact CD1-CG 4.48Å; Y223-Q245 HydrophobicContact CE1-CB 3.63Å; Y223-Q245 HydrophobicContact CE1-CG 3.9Å; Y223-I290 HydrophobicContact CE2-CD1 3.87Å |
| 224 | V | 94.5 | Very high | 82 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.6 | 164.6 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | L167 L177 F193 I213 V215 Y244 L246 | L167-V224 HydrophobicContact CD2-CG1 3.85Å; L167-V224 HydrophobicContact CD2-CG2 3.86Å; L177-V224 HydrophobicContact CD1-CG1 4.26Å; F193-V224 HydrophobicContact CZ-CB 4.26Å; F193-V224 HydrophobicContact CZ-CG1 4.31Å; F193-V224 HydrophobicContact CZ-CG2 4.05Å; I213-V224 HydrophobicContact CG2-CG1 3.5Å; V215-V224 HydrophobicContact CG2-CG2 4.3Å; V224-Y244 PolarHBondContact N-O 3.23Å; V224-Y244 PolarHBondContact O-N 2.96Å; V224-L246 HydrophobicContact CG2-CD2 4.41Å |
| 225 | M | 94.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.3 | -179.8 | -63.3 | 179.6 | -66.7 | 0 | 0 | 108.7 | I213 A214 A216 I218 V241 I242 L243 L268 V270 V275 | I213-M225 CarbonylContact C-O 3.58Å; I213-M225 VanDerWaalsContact CA-O 3.27Å; I213-M225 WeakPolarHBondContact CA-O 3.35Å; A214-M225 HydrophobicContact CB-CB 4.37Å; A214-M225 HydrophobicContact CB-CE 3.58Å; A214-M225 PolarHBondContact N-O 3.25Å; A214-M225 PolarHBondContact O-N 2.87Å; A216-M225 HydrophobicContact CB-CE 3.83Å; I218-M225 HydrophobicContact CD1-SD 4.18Å; M225-V241 HydrophobicContact CB-CG1 4.08Å; M225-I242 WeakPolarHBondContact CA-O 3.47Å; M225-L243 HydrophobicContact CG-CG 4.07Å; M225-L268 HydrophobicContact CB-CD1 4.1Å; M225-V270 HydrophobicContact CE-CG2 3.82Å; M225-V270 HydrophobicContact SD-CG2 4.14Å; M225-V275 HydrophobicContact SD-CG1 4.02Å; M225-V275 HydrophobicContact SD-CG2 4.11Å |
| 226 | Y | 92.8 | Very high | 78 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.1 | 176.5 | 168 | -128 | 0 | 0 | 0 | 110.2 | I195 L208 D212 I213 K228 V241 I242 | I195-Y226 HydrophobicContact CD1-CG 4.32Å; I195-Y226 HydrophobicContact CG2-CD1 3.41Å; I195-Y226 VanDerWaalsContact CG2-CD1 3.41Å; I195-Y226 HydrophobicContact CG2-CD2 4.3Å; I195-Y226 HydrophobicContact CG2-CE1 3.47Å; I195-Y226 VanDerWaalsContact CG2-CE1 3.47Å; I195-Y226 HydrophobicContact CG2-CE2 4.38Å; I195-Y226 HydrophobicContact CG2-CG 3.84Å; L208-Y226 HydrophobicContact CD1-CD2 3.76Å; L208-Y226 HydrophobicContact CD1-CE2 3.33Å; D212-Y226 HydrophobicContact CB-CD2 4.43Å; D212-Y226 HydrophobicContact CB-CE2 4.3Å; I213-Y226 HydrophobicContact CG1-CD2 4.35Å; Y226-K228 HydrophobicContact CD1-CB 4.25Å; Y226-K228 HydrophobicContact CE1-CB 3.78Å; Y226-K228 HydrophobicContact CE1-CD 4.5Å; Y226-K228 HydrophobicContact CE1-CG 4Å; Y226-K228 PolarHBondContact O-N 3.3Å; Y226-V241 CarbonylContact O-C 3.53Å; Y226-V241 WeakPolarHBondContact O-CA 3.45Å; Y226-I242 HydrophobicContact CD1-CB 4.49Å; Y226-I242 HydrophobicContact CD1-CD1 4.22Å; Y226-I242 PolarHBondContact N-O 2.92Å; Y226-I242 PolarHBondContact O-N 3.12Å |
| 227 | L | 89.9 | Confident | 76.2 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 102.5 | 174.1 | -177.2 | 67.2 | 0 | 0 | 0 | 109.7 | D212 H229 V241 L260 F266 | D212-L227 PolarHBondContact O-N 3.01Å; L227-H229 VanDerWaalsContact CD2-NE2 3.33Å; L227-H229 WeakPolarHBondContact CD2-NE2 3.46Å; L227-H229 PolarHBondContact O-N 3.34Å; L227-V241 HydrophobicContact CD1-CG2 3.88Å; L227-L260 HydrophobicContact CD1-CD1 3.99Å; L227-F266 HydrophobicContact CD1-CB 4.09Å; L227-F266 HydrophobicContact CD1-CD2 3.9Å; L227-F266 HydrophobicContact CD1-CG 4.18Å; L227-F266 HydrophobicContact CD2-CB 3.77Å; L227-F266 HydrophobicContact CD2-CD2 4.06Å; L227-F266 HydrophobicContact CD2-CG 4.38Å; L227-F266 HydrophobicContact CG-CD2 4.44Å |
| 228 | K | 85.3 | Confident | 75.2 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 108.5 | 178.5 | -169.6 | -178.9 | 179.5 | -157.4 | 0 | 110.2 | P198 Y226 H230 A239 E240 I242 | P198-K228 HydrophobicContact CG-CG 4.04Å; Y226-K228 HydrophobicContact CD1-CB 4.25Å; Y226-K228 HydrophobicContact CE1-CB 3.78Å; Y226-K228 HydrophobicContact CE1-CD 4.5Å; Y226-K228 HydrophobicContact CE1-CG 4Å; Y226-K228 PolarHBondContact O-N 3.3Å; K228-H230 WeakPolarHBondContact CE-NE2 3.09Å; K228-H230 PolarHBondContact NZ-NE2 2.98Å; K228-A239 WeakPolarHBondContact O-CA 3.3Å; K228-E240 PolarHBondContact N-O 3.1Å; K228-E240 PolarHBondContact O-N 3.36Å; K228-E240 VanDerWaalsContact O-N 3.13Å; K228-I242 HydrophobicContact CB-CD1 4.24Å; K228-I242 HydrophobicContact CD-CD1 3.86Å |
| 229 | H | 79.3 | Confident | 74.9 | Confident | 74 Ų | 74 | 60.5 Ų | 60.5 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 119.7 | 169.7 | -65.2 | -74.8 | 0 | 0 | 0 | 110.4 | D212 L227 G264 F266 | D212-H229 IonicContact OD1-CD2 3.49Å; D212-H229 IonicContact OD1-NE2 3.85Å; L227-H229 VanDerWaalsContact CD2-NE2 3.33Å; L227-H229 WeakPolarHBondContact CD2-NE2 3.46Å; L227-H229 PolarHBondContact O-N 3.34Å; H229-G264 PolarHBondContact CE1-O 2.74Å; H229-F266 AromaticContact CE1-CD2 3.91Å |
| 230 | H | 69.1 | Low | 75 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -90 | 134.8 | 169.8 | -67.9 | 98.8 | 0 | 0 | 0 | 110 | K228 C238 E240 | K228-H230 WeakPolarHBondContact CE-NE2 3.09Å; K228-H230 PolarHBondContact NZ-NE2 2.98Å; H230-C238 PolarHBondContact ND1-O 2.95Å; H230-E240 IonicContact CE1-OE2 3.62Å |
| 231 | S | 56.6 | Low | 75.3 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 148.4 | 168.7 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | T233 | S231-T233 PolarHBondContact O-N 3.34Š|
| 232 | R | 52 | Low | 75.4 | Confident | 217 Ų | 217 | 54.1 Ų | 54.1 | 82% | 0.819 | 29% | 0.291 | S | S | * | . | trans | -64.9 | 91.2 | 177.2 | -86.1 | 176.1 | 161 | 174.9 | -6.1 | 110.5 | ||||
| 233 | T | 48.7 | Very low | 75.5 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | trans | -129.5 | 160.4 | 160.1 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | S231 D235 | S231-T233 PolarHBondContact O-N 3.34Å; T233-D235 PolarHBondContact O-N 2.88Å | ||
| 234 | T | 47.6 | Very low | 75.4 | Confident | 137 Ų | 137 | 53.2 Ų | 53.2 | 84% | 0.84 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.7 | -142.5 | 38.7 | 0 | 0 | 0 | 0 | 118.6 | ||
| 235 | D | 48.5 | Very low | 75.3 | Confident | 156 Ų | 156 | 55.7 Ų | 55.7 | 83% | 0.834 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 3.9 | -170.7 | -85.5 | -24.1 | 0 | 0 | 0 | 117.2 | T233 | T233-D235 PolarHBondContact O-N 2.88Š|
| 236 | S | 53.1 | Low | 75.2 | Confident | 96 Ų | 96 | 56 Ų | 56 | 67% | 0.671 | 30% | 0.3 | S | S | * | . | trans | 162.3 | 92 | 152.1 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | C238 | S236-C238 PolarHBondContact O-N 3.34Å; S236-C238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | P | 55.4 | Low | 75 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | trans | -90.1 | 72 | -168.9 | 36.2 | -34.3 | 0 | 0 | 0 | 111.3 | T263 | P237-T263 VanDerWaalsContact O-CG2 3.23Å; P237-T263 WeakPolarHBondContact O-CG2 3.33Å | ||
| 238 | C | 70.4 | Confident | 74.6 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | trans | -122.8 | 134.9 | -175.5 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | H230 S236 N261 | H230-C238 PolarHBondContact ND1-O 2.95Å; S236-C238 PolarHBondContact O-N 3.34Å; S236-C238 VanDerWaalsContact O-N 3.09Å; C238-N261 VanDerWaalsContact SG-CA 3.54Å | ||
| 239 | A | 85.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -67.1 | 148.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K228 L260 T262 F266 | K228-A239 WeakPolarHBondContact O-CA 3.3Å; A239-L260 HydrophobicContact CB-CD1 3.98Å; A239-L260 VanDerWaalsContact O-CB 3.23Å; A239-L260 WeakPolarHBondContact O-CB 3.16Å; A239-L260 WeakPolarHBondContact O-CG 3.37Å; A239-L260 PolarHBondContact O-N 3.48Å; A239-L260 VanDerWaalsContact O-N 3.11Å; A239-T262 VanDerWaalsContact CB-O 3.28Å; A239-T262 WeakPolarHBondContact CB-O 3.41Å; A239-T262 PolarHBondContact N-O 3.43Å; A239-F266 HydrophobicContact CB-CD2 4.33Å; A239-F266 HydrophobicContact CB-CE2 3.47Å; A239-F266 VanDerWaalsContact CB-CE2 3.47Å; A239-F266 HydrophobicContact CB-CZ 3.9Å | ||
| 240 | E | 90.1 | Very high | 74.5 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.5 | 179.9 | -61.4 | -176.9 | 145.6 | 0 | 0 | 109.8 | K228 H230 V257 L258 K259 | K228-E240 PolarHBondContact N-O 3.1Å; K228-E240 PolarHBondContact O-N 3.36Å; K228-E240 VanDerWaalsContact O-N 3.13Å; H230-E240 IonicContact CE1-OE2 3.62Å; E240-V257 HydrophobicContact CB-CG1 4.14Å; E240-V257 HydrophobicContact CG-CG1 4.43Å; E240-L258 CarbonylContact C-O 3.6Å; E240-L258 VanDerWaalsContact CA-O 3.28Å; E240-L258 WeakPolarHBondContact CA-O 3.47Å; E240-K259 HydrophobicContact CG-CG 4.48Å; E240-K259 WeakPolarHBondContact OE1-CE 3.43Å |
| 241 | V | 91.9 | Very high | 75.2 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120 | 170.7 | -174 | 0 | 0 | 0 | 0 | 108.4 | M225 Y226 L227 L243 V257 L258 L260 L268 V277 | M225-V241 HydrophobicContact CB-CG1 4.08Å; Y226-V241 CarbonylContact O-C 3.53Å; Y226-V241 WeakPolarHBondContact O-CA 3.45Å; L227-V241 HydrophobicContact CD1-CG2 3.88Å; V241-L243 HydrophobicContact CG1-CD1 4.13Å; V241-V257 CarbonylContact O-C 3.6Å; V241-V257 WeakPolarHBondContact O-CA 3.37Å; V241-L258 HydrophobicContact CB-CB 4.07Å; V241-L258 HydrophobicContact CB-CD1 4.1Å; V241-L258 HydrophobicContact CB-CG 4.23Å; V241-L258 HydrophobicContact CG1-CD1 4.36Å; V241-L258 PolarHBondContact N-O 3.37Å; V241-L258 PolarHBondContact O-N 3.31Å; V241-L260 HydrophobicContact CG2-CD1 4.02Å; V241-L260 HydrophobicContact CG2-CD2 4.16Å; V241-L260 HydrophobicContact CG2-CG 4.33Å; V241-L268 HydrophobicContact CG1-CD1 4.28Å; V241-L268 HydrophobicContact CG1-CD2 4.46Å; V241-L268 HydrophobicContact CG2-CD2 3.98Å; V241-V277 HydrophobicContact CG2-CG2 4.18Å |
| 242 | I | 92.8 | Very high | 76.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127 | -179.3 | -57.7 | 176.6 | 0 | 0 | 0 | 108.8 | M225 Y226 K228 Y244 K254 V257 | M225-I242 WeakPolarHBondContact CA-O 3.47Å; Y226-I242 HydrophobicContact CD1-CB 4.49Å; Y226-I242 HydrophobicContact CD1-CD1 4.22Å; Y226-I242 PolarHBondContact N-O 2.92Å; Y226-I242 PolarHBondContact O-N 3.12Å; K228-I242 HydrophobicContact CB-CD1 4.24Å; K228-I242 HydrophobicContact CD-CD1 3.86Å; I242-Y244 HydrophobicContact CB-CE2 4.09Å; I242-Y244 HydrophobicContact CG2-CD2 4Å; I242-Y244 HydrophobicContact CG2-CE2 3.44Å; I242-Y244 VanDerWaalsContact CG2-CE2 3.44Å; I242-K254 HydrophobicContact CG2-CD 3.97Å; I242-K254 HydrophobicContact CG2-CG 3.75Å; I242-V257 HydrophobicContact CG1-CG2 4.31Å; I242-V257 HydrophobicContact CG2-CG2 4.48Å |
| 243 | L | 93.4 | Very high | 78.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.8 | 177.8 | -75.5 | 72.4 | 0 | 0 | 0 | 110.3 | I218 Y223 M225 V241 T255 N256 L258 I290 | I218-L243 HydrophobicContact CD1-CD2 4.13Å; Y223-L243 HydrophobicContact CD1-CB 3.99Å; Y223-L243 HydrophobicContact CD1-CD2 4.2Å; Y223-L243 HydrophobicContact CG-CD2 4.33Å; M225-L243 HydrophobicContact CG-CG 4.07Å; V241-L243 HydrophobicContact CG1-CD1 4.13Å; L243-T255 PolarHBondContact O-N 3.3Å; L243-T255 PolarHBondContact O-OG1 2.94Å; L243-N256 HydrophobicContact CB-CB 4.02Å; L243-N256 HydrophobicContact CD1-CB 4.47Å; L243-N256 HydrophobicContact CD2-CB 4.31Å; L243-N256 HydrophobicContact CG-CB 4.5Å; L243-N256 PolarHBondContact N-O 3.46Å; L243-N256 PolarHBondContact O-N 3.18Å; L243-L258 HydrophobicContact CD1-CD1 3.81Å; L243-L258 HydrophobicContact CD1-CD2 4.23Å; L243-L258 HydrophobicContact CD1-CG 3.72Å; L243-I290 HydrophobicContact CD2-CG2 3.71Å |
| 244 | Y | 92.9 | Very high | 80.4 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 5% | 0.051 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.6 | 172.1 | -70.4 | -88 | 0 | 0 | 0 | 108.9 | F193 I195 Y223 V224 I242 L246 K253 K254 | F193-Y244 HydrophobicContact CD2-CD1 4.43Å; F193-Y244 HydrophobicContact CE2-CD1 4.45Å; F193-Y244 HydrophobicContact CE2-CG 4.29Å; I195-Y244 HydrophobicContact CG1-CE2 4.12Å; Y223-Y244 WeakPolarHBondContact CA-O 3.32Å; V224-Y244 PolarHBondContact N-O 3.23Å; V224-Y244 PolarHBondContact O-N 2.96Å; I242-Y244 HydrophobicContact CB-CE2 4.09Å; I242-Y244 HydrophobicContact CG2-CD2 4Å; I242-Y244 HydrophobicContact CG2-CE2 3.44Å; I242-Y244 VanDerWaalsContact CG2-CE2 3.44Å; Y244-L246 PolarHBondContact O-N 3.21Å; Y244-K253 WeakPolarHBondContact CA-O 3.5Å; Y244-K254 HydrophobicContact CD1-CB 4.16Å; Y244-K254 HydrophobicContact CE1-CB 3.93Å; Y244-K254 HydrophobicContact CE1-CG 4.4Å |
| 245 | Q | 92.5 | Very high | 82.4 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.2 | 176.4 | -171.3 | -171.2 | -5 | 0 | 0 | 108.8 | Q221 Y223 P247 C252 K253 T255 | Q221-Q245 VanDerWaalsContact OE1-CD 3.28Å; Y223-Q245 HydrophobicContact CD1-CB 4.04Å; Y223-Q245 HydrophobicContact CD1-CG 4.48Å; Y223-Q245 HydrophobicContact CE1-CB 3.63Å; Y223-Q245 HydrophobicContact CE1-CG 3.9Å; Q245-P247 WeakPolarHBondContact O-CD 3.24Å; Q245-C252 WeakPolarHBondContact O-CA 3.21Å; Q245-K253 PolarHBondContact N-O 3.28Å; Q245-K253 PolarHBondContact O-N 2.99Å; Q245-T255 HydrophobicContact CB-CG2 3.73Å |
| 246 | L | 90.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | trans | -108.9 | 88.4 | -179.9 | -174.2 | 61.8 | 0 | 0 | 0 | 110 | V165 P179 M190 F193 L222 V224 Y244 C252 | V165-L246 HydrophobicContact CG1-CD2 4.39Å; P179-L246 HydrophobicContact CB-CD2 3.73Å; P179-L246 HydrophobicContact CG-CD1 3.74Å; P179-L246 HydrophobicContact CG-CD2 3.77Å; P179-L246 HydrophobicContact CG-CG 4.39Å; M190-L246 HydrophobicContact CE-CD1 3.88Å; M190-L246 HydrophobicContact CE-CD2 4.14Å; M190-L246 HydrophobicContact CE-CG 3.69Å; M190-L246 HydrophobicContact SD-CD2 4.47Å; F193-L246 HydrophobicContact CE1-CD1 4.27Å; L222-L246 HydrophobicContact CD2-CB 4.4Å; L222-L246 HydrophobicContact CD2-CD2 3.84Å; L222-L246 HydrophobicContact CD2-CG 4.34Å; L222-L246 HydrophobicContact CG-CB 4.37Å; L222-L246 HydrophobicContact CG-CD2 4.5Å; L222-L246 PolarHBondContact O-N 3.48Å; V224-L246 HydrophobicContact CG2-CD2 4.41Å; Y244-L246 PolarHBondContact O-N 3.21Å; L246-C252 HydrophobicContact CD1-CB 4.42Å | ||
| 247 | P | 89.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 25% | 0.253 | 24% | 0.239 | S | C | . | . | trans | -69.7 | 148.9 | 174.9 | 32.1 | -36 | 0 | 0 | 0 | 110.3 | M190 Q245 E249 | M190-P247 WeakPolarHBondContact CE-O 3.47Å; Q245-P247 WeakPolarHBondContact O-CD 3.24Å; P247-E249 WeakPolarHBondContact CB-O 3.42Å; P247-E249 PolarHBondContact O-N 3.15Å | ||
| 248 | R | 81.4 | Confident | 87.9 | Confident | 156 Ų | 156 | 43 Ų | 43 | 59% | 0.589 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -58.4 | -35.4 | 175.3 | -74.3 | -169.2 | -179.3 | -86.4 | -0.9 | 111.9 | T163 | T163-R248 PolarHBondContact O-NH2 3.25Å; T163-R248 VanDerWaalsContact O-NH2 3.12Å |
| 249 | E | 79.8 | Confident | 88.8 | Confident | 182 Ų | 182 | 45.5 Ų | 45.5 | 85% | 0.85 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -127.2 | 128 | 176.7 | -63.5 | 179.7 | -177.2 | 0 | 0 | 109 | P247 | P247-E249 WeakPolarHBondContact CB-O 3.42Å; P247-E249 PolarHBondContact O-N 3.15Å |
| 250 | G | 81.8 | Confident | 88.8 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 121.2 | -172.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S191 | S191-G250 WeakPolarHBondContact CB-O 3.28Å; S191-G250 PolarHBondContact OG-O 3.16Å |
| 251 | S | 85.1 | Confident | 88.4 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 51% | 0.51 | 25% | 0.248 | S | C | . | . | trans | -89 | 144.9 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 252 | C | 88.3 | Confident | 87.9 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | trans | -66.7 | 134 | 170.8 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | F193 Q245 L246 | F193-C252 HydrophobicContact CB-CB 3.62Å; F193-C252 HydrophobicContact CD1-CB 3.64Å; F193-C252 HydrophobicContact CD2-CB 4.23Å; F193-C252 HydrophobicContact CE1-CB 4.36Å; F193-C252 HydrophobicContact CG-CB 3.56Å; F193-C252 VanDerWaalsContact CG-SG 3.58Å; Q245-C252 WeakPolarHBondContact O-CA 3.21Å; L246-C252 HydrophobicContact CD1-CB 4.42Å | ||
| 253 | K | 88.6 | Confident | 87.5 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137 | 179 | -65.9 | -178.7 | -177.3 | 178.3 | 0 | 110.9 | Y244 Q245 T255 | Y244-K253 WeakPolarHBondContact CA-O 3.5Å; Q245-K253 PolarHBondContact N-O 3.28Å; Q245-K253 PolarHBondContact O-N 2.99Å; K253-T255 HydrophobicContact CB-CG2 4.43Å; K253-T255 PolarHBondContact O-N 2.81Å |
| 254 | K | 90 | Very high | 87 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119.5 | 166.1 | -175.6 | 179.6 | -177.6 | -170.2 | 0 | 108 | I242 Y244 L299 | I242-K254 HydrophobicContact CG2-CD 3.97Å; I242-K254 HydrophobicContact CG2-CG 3.75Å; Y244-K254 HydrophobicContact CD1-CB 4.16Å; Y244-K254 HydrophobicContact CE1-CB 3.93Å; Y244-K254 HydrophobicContact CE1-CG 4.4Å; K254-L299 HydrophobicContact CD-CD1 3.58Å; K254-L299 HydrophobicContact CG-CD1 3.92Å |
| 255 | T | 88.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -45.2 | -172.5 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | L243 Q245 K253 N300 | L243-T255 PolarHBondContact O-N 3.3Å; L243-T255 PolarHBondContact O-OG1 2.94Å; Q245-T255 HydrophobicContact CB-CG2 3.73Å; K253-T255 HydrophobicContact CB-CG2 4.43Å; K253-T255 PolarHBondContact O-N 2.81Å; T255-N300 PolarHBondContact O-N 3.03Å |
| 256 | N | 90.5 | Very high | 86.5 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.2 | -172.7 | -54.1 | -78.6 | 0 | 0 | 0 | 111.4 | L243 N300 H302 | L243-N256 HydrophobicContact CB-CB 4.02Å; L243-N256 HydrophobicContact CD1-CB 4.47Å; L243-N256 HydrophobicContact CD2-CB 4.31Å; L243-N256 HydrophobicContact CG-CB 4.5Å; L243-N256 PolarHBondContact N-O 3.46Å; L243-N256 PolarHBondContact O-N 3.18Å; N256-N300 CarbonylContact C-O 3.59Å; N256-N300 WeakPolarHBondContact CA-O 3.42Å; N256-N300 WeakPolarHBondContact OD1-CB 3.41Å; N256-H302 PolarHBondContact OD1-NE2 2.89Å |
| 257 | V | 91.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.5 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | E240 V241 I242 L299 N300 V301 H302 | E240-V257 HydrophobicContact CB-CG1 4.14Å; E240-V257 HydrophobicContact CG-CG1 4.43Å; V241-V257 CarbonylContact O-C 3.6Å; V241-V257 WeakPolarHBondContact O-CA 3.37Å; I242-V257 HydrophobicContact CG1-CG2 4.31Å; I242-V257 HydrophobicContact CG2-CG2 4.48Å; V257-L299 HydrophobicContact CB-CD2 4.33Å; V257-L299 HydrophobicContact CG2-CD2 3.69Å; V257-L299 HydrophobicContact CG2-CG 4.29Å; V257-N300 PolarHBondContact N-O 2.92Å; V257-V301 WeakPolarHBondContact O-CA 3.38Å; V257-H302 PolarHBondContact O-N 3.37Å |
| 258 | L | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.2 | 178.6 | -43.8 | -178.1 | 0 | 0 | 0 | 108.9 | E240 V241 L243 V275 F288 I290 H302 | E240-L258 CarbonylContact C-O 3.6Å; E240-L258 VanDerWaalsContact CA-O 3.28Å; E240-L258 WeakPolarHBondContact CA-O 3.47Å; V241-L258 HydrophobicContact CB-CB 4.07Å; V241-L258 HydrophobicContact CB-CD1 4.1Å; V241-L258 HydrophobicContact CB-CG 4.23Å; V241-L258 HydrophobicContact CG1-CD1 4.36Å; V241-L258 PolarHBondContact N-O 3.37Å; V241-L258 PolarHBondContact O-N 3.31Å; L243-L258 HydrophobicContact CD1-CD1 3.81Å; L243-L258 HydrophobicContact CD1-CD2 4.23Å; L243-L258 HydrophobicContact CD1-CG 3.72Å; L258-V275 HydrophobicContact CD1-CB 3.85Å; L258-V275 HydrophobicContact CD1-CG1 3.62Å; L258-V275 HydrophobicContact CD1-CG2 4.25Å; L258-F288 HydrophobicContact CB-CD1 3.89Å; L258-F288 HydrophobicContact CB-CD2 4.2Å; L258-F288 HydrophobicContact CB-CE1 3.93Å; L258-F288 HydrophobicContact CB-CE2 4.24Å; L258-F288 HydrophobicContact CB-CG 4.02Å; L258-F288 HydrophobicContact CB-CZ 4.12Å; L258-F288 HydrophobicContact CD1-CB 3.84Å; L258-F288 HydrophobicContact CD1-CD1 4.5Å; L258-F288 HydrophobicContact CD1-CD2 3.91Å; L258-F288 HydrophobicContact CD1-CG 3.84Å; L258-F288 HydrophobicContact CD2-CB 3.89Å; L258-F288 HydrophobicContact CD2-CD1 4.03Å; L258-F288 HydrophobicContact CD2-CG 4.03Å; L258-F288 HydrophobicContact CG-CB 4.36Å; L258-F288 HydrophobicContact CG-CD1 4.35Å; L258-F288 HydrophobicContact CG-CG 4.17Å; L258-I290 HydrophobicContact CD2-CG2 4.31Å; L258-H302 HydrophobicContact CD2-CB 3.66Å |
| 259 | K | 89.3 | Confident | 87.3 | Confident | 83 Ų | 83 | 52 Ų | 52 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.3 | 179.7 | -71 | -173.2 | 168.8 | -177.6 | 0 | 110.7 | E240 F288 V301 H302 | E240-K259 HydrophobicContact CG-CG 4.48Å; E240-K259 WeakPolarHBondContact OE1-CE 3.43Å; K259-F288 WeakPolarHBondContact O-CZ 3.39Å; K259-V301 HydrophobicContact CD-CG1 3.61Å; K259-V301 VanDerWaalsContact CE-CG1 3.45Å; K259-V301 HydrophobicContact CG-CG1 3.88Å; K259-H302 PolarHBondContact N-O 3.36Å |
| 260 | L | 84.7 | Confident | 88 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -87.9 | -18.9 | -177.9 | -53 | -179.2 | 0 | 0 | 0 | 113.4 | L227 A239 V241 T262 F266 V277 F288 | L227-L260 HydrophobicContact CD1-CD1 3.99Å; A239-L260 HydrophobicContact CB-CD1 3.98Å; A239-L260 VanDerWaalsContact O-CB 3.23Å; A239-L260 WeakPolarHBondContact O-CB 3.16Å; A239-L260 WeakPolarHBondContact O-CG 3.37Å; A239-L260 PolarHBondContact O-N 3.48Å; A239-L260 VanDerWaalsContact O-N 3.11Å; V241-L260 HydrophobicContact CG2-CD1 4.02Å; V241-L260 HydrophobicContact CG2-CD2 4.16Å; V241-L260 HydrophobicContact CG2-CG 4.33Å; L260-T262 PolarHBondContact O-N 3.13Å; L260-T262 PolarHBondContact O-OG1 3.48Å; L260-F266 HydrophobicContact CD1-CD1 3.95Å; L260-F266 HydrophobicContact CD1-CD2 4.24Å; L260-F266 HydrophobicContact CD1-CE1 3.81Å; L260-F266 HydrophobicContact CD1-CE2 4.13Å; L260-F266 HydrophobicContact CD1-CG 4.16Å; L260-F266 HydrophobicContact CD1-CZ 3.91Å; L260-V277 HydrophobicContact CD1-CG1 3.89Å; L260-V277 HydrophobicContact CD2-CB 3.97Å; L260-V277 HydrophobicContact CD2-CG1 3.78Å; L260-V277 HydrophobicContact CD2-CG2 3.87Å; L260-V277 HydrophobicContact CG-CG1 4.5Å; L260-F288 HydrophobicContact CD2-CE2 3.62Å; L260-F288 HydrophobicContact CD2-CZ 3.77Å | ||
| 261 | N | 82.2 | Confident | 88.5 | Confident | 102 Ų | 102 | 41.8 Ų | 41.8 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | trans | 52.8 | 18 | -177.6 | -60.9 | -24.3 | 0 | 0 | 0 | 114.9 | C238 | C238-N261 VanDerWaalsContact SG-CA 3.54Š| ||
| 262 | T | 81.8 | Confident | 88.7 | Confident | 47 Ų | 47 | 39.3 Ų | 39.3 | 29% | 0.288 | 21% | 0.206 | S | C | . | . | trans | -143.9 | 163.2 | -174.9 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | A239 L260 | A239-T262 VanDerWaalsContact CB-O 3.28Å; A239-T262 WeakPolarHBondContact CB-O 3.41Å; A239-T262 PolarHBondContact N-O 3.43Å; L260-T262 PolarHBondContact O-N 3.13Å; L260-T262 PolarHBondContact O-OG1 3.48Å | ||
| 263 | T | 83.7 | Confident | 88.8 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 36% | 0.362 | 21% | 0.21 | S | C | . | . | trans | -133.3 | 145.4 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | P237 H279 | P237-T263 VanDerWaalsContact O-CG2 3.23Å; P237-T263 WeakPolarHBondContact O-CG2 3.33Å; T263-H279 PolarHBondContact O-NE2 3.41Å; T263-H279 VanDerWaalsContact O-NE2 3.16Å | ||
| 264 | G | 82.6 | Confident | 89 | Confident | 29 Ų | 29 | 34 Ų | 34 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 153.3 | -160.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H229 F266 | H229-G264 PolarHBondContact CE1-O 2.74Å; G264-F266 VanDerWaalsContact O-CD2 3.22Å; G264-F266 WeakPolarHBondContact O-CD2 3.06Å; G264-F266 VanDerWaalsContact O-CE2 3.24Å; G264-F266 WeakPolarHBondContact O-CE2 3.18Å |
| 265 | K | 85.8 | Confident | 89.2 | Confident | 138 Ų | 138 | 30.5 Ų | 30.5 | 60% | 0.6 | 17% | 0.167 | S | C | * | . | trans | -83.8 | 124.1 | 173.6 | -67.6 | -179.9 | 179.7 | 178 | 0 | 108.9 | Q280 | K265-Q280 HydrophobicContact CB-CB 4.16Å; K265-Q280 PolarHBondContact O-N 3.31Å | ||
| 266 | F | 89.9 | Confident | 89.5 | Confident | 25 Ų | 25 | 29.5 Ų | 29.5 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.8 | 177.7 | -55.1 | -83.7 | 0 | 0 | 0 | 110.9 | L227 H229 A239 L260 G264 V277 H278 H279 | L227-F266 HydrophobicContact CD1-CB 4.09Å; L227-F266 HydrophobicContact CD1-CD2 3.9Å; L227-F266 HydrophobicContact CD1-CG 4.18Å; L227-F266 HydrophobicContact CD2-CB 3.77Å; L227-F266 HydrophobicContact CD2-CD2 4.06Å; L227-F266 HydrophobicContact CD2-CG 4.38Å; L227-F266 HydrophobicContact CG-CD2 4.44Å; H229-F266 AromaticContact CE1-CD2 3.91Å; A239-F266 HydrophobicContact CB-CD2 4.33Å; A239-F266 HydrophobicContact CB-CE2 3.47Å; A239-F266 VanDerWaalsContact CB-CE2 3.47Å; A239-F266 HydrophobicContact CB-CZ 3.9Å; L260-F266 HydrophobicContact CD1-CD1 3.95Å; L260-F266 HydrophobicContact CD1-CD2 4.24Å; L260-F266 HydrophobicContact CD1-CE1 3.81Å; L260-F266 HydrophobicContact CD1-CE2 4.13Å; L260-F266 HydrophobicContact CD1-CG 4.16Å; L260-F266 HydrophobicContact CD1-CZ 3.91Å; G264-F266 VanDerWaalsContact O-CD2 3.22Å; G264-F266 WeakPolarHBondContact O-CD2 3.06Å; G264-F266 VanDerWaalsContact O-CE2 3.24Å; G264-F266 WeakPolarHBondContact O-CE2 3.18Å; F266-V277 HydrophobicContact CB-CG1 4.14Å; F266-V277 HydrophobicContact CD1-CG1 3.83Å; F266-V277 HydrophobicContact CG-CG1 4.28Å; F266-H278 CarbonylContact C-O 3.57Å; F266-H278 WeakPolarHBondContact CA-O 3.28Å; F266-H279 HydrophobicContact CD1-CB 3.91Å; F266-H279 AromaticContact CD1-CD2 3.68Å; F266-H279 HydrophobicContact CE1-CB 3.82Å; F266-H279 AromaticContact CE1-CD2 3.27Å; F266-H279 WeakPolarHBondContact CE1-CD2 3.4Å; F266-H279 AromaticContact CE1-CG 3.65Å; F266-H279 AromaticContact CZ-CD2 3.73Å |
| 267 | A | 90.9 | Very high | 89.7 | Confident | 29 Ų | 29 | 29.1 Ų | 29.1 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | H278 V341 | A267-H278 HydrophobicContact CB-CB 4.26Å; A267-H278 PolarHBondContact N-O 3.5Å; A267-H278 PolarHBondContact O-N 3.44Å; A267-V341 HydrophobicContact CB-CB 4.01Å; A267-V341 HydrophobicContact CB-CG1 4.2Å; A267-V341 HydrophobicContact CB-CG2 3.69Å |
| 268 | L | 93.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.1 | -174.8 | -61.4 | 175.4 | 0 | 0 | 0 | 109.5 | A214 M225 V241 V276 V277 V341 Q343 | A214-L268 HydrophobicContact CB-CB 4.3Å; A214-L268 HydrophobicContact CB-CD1 4.01Å; M225-L268 HydrophobicContact CB-CD1 4.1Å; V241-L268 HydrophobicContact CG1-CD1 4.28Å; V241-L268 HydrophobicContact CG1-CD2 4.46Å; V241-L268 HydrophobicContact CG2-CD2 3.98Å; L268-V276 WeakPolarHBondContact CA-O 3.16Å; L268-V277 HydrophobicContact CD2-CB 4.15Å; L268-V277 HydrophobicContact CD2-CG1 3.92Å; L268-V277 HydrophobicContact CD2-CG2 3.61Å; L268-V341 WeakPolarHBondContact O-CG1 3.29Å; L268-Q343 PolarHBondContact O-NE2 3.34Å |
| 269 | N | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154.1 | 164.9 | -90.2 | 0.5 | 0 | 0 | 0 | 109.7 | V271 V276 V341 P344 L358 | N269-V271 HydrophobicContact CB-CG2 4.35Å; N269-V276 HydrophobicContact CB-CB 4.27Å; N269-V276 PolarHBondContact N-O 3.25Å; N269-V276 PolarHBondContact O-N 3.25Å; N269-V341 WeakPolarHBondContact OD1-CG1 3.29Å; N269-P344 CarbonylContact C-O 3.58Å; N269-P344 WeakPolarHBondContact CA-O 3.44Å; N269-P344 WeakPolarHBondContact CB-O 3.21Å; N269-L358 HydrophobicContact CB-CD2 4.02Å |
| 270 | V | 94 | Very high | 89.6 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 112.8 | 166 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | A216 I218 M225 L274 P344 | A216-V270 HydrophobicContact CB-CB 4.09Å; A216-V270 HydrophobicContact CB-CG2 3.52Å; I218-V270 HydrophobicContact CD1-CG2 4.15Å; I218-V270 HydrophobicContact CG1-CG1 4.07Å; I218-V270 HydrophobicContact CG1-CG2 4.19Å; M225-V270 HydrophobicContact CE-CG2 3.82Å; M225-V270 HydrophobicContact SD-CG2 4.14Å; V270-L274 CarbonylContact C-O 3.58Å; V270-L274 VanDerWaalsContact CA-O 3.25Å; V270-L274 WeakPolarHBondContact CA-O 3.39Å; V270-P344 CarbonylContact C-O 3.54Å; V270-P344 HydrophobicContact CB-CB 4.36Å; V270-P344 PolarHBondContact N-O 3.4Å; V270-P344 CarbonylContact O-C 3.58Å; V270-P344 WeakPolarHBondContact O-CB 3.48Å |
| 271 | V | 91.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.1 | 178.6 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | N269 N273 L274 V276 D345 L358 V360 | N269-V271 HydrophobicContact CB-CG2 4.35Å; V271-N273 VanDerWaalsContact C-N 3.29Å; V271-N273 PolarHBondContact O-N 3.26Å; V271-L274 PolarHBondContact N-O 3.4Å; V271-L274 WeakPolarHBondContact O-CA 3.34Å; V271-L274 WeakPolarHBondContact O-CB 3.25Å; V271-L274 PolarHBondContact O-N 2.73Å; V271-V276 HydrophobicContact CB-CG2 4.31Å; V271-V276 HydrophobicContact CG2-CG2 4.05Å; V271-D345 HydrophobicContact CG2-CB 3.86Å; V271-L358 VanDerWaalsContact CG1-O 3.23Å; V271-L358 WeakPolarHBondContact CG1-O 3.31Å; V271-L358 HydrophobicContact CG2-CB 3.95Å; V271-L358 HydrophobicContact CG2-CD2 3.63Å; V271-L358 HydrophobicContact CG2-CG 3.84Å; V271-V360 HydrophobicContact CB-CG2 4.11Å; V271-V360 HydrophobicContact CG1-CG2 3.75Å |
| 272 | D | 88.6 | Confident | 90 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46.3 | 178.5 | -166.4 | 21.5 | 0 | 0 | 0 | 113.8 | L274 R382 R383 | D272-L274 PolarHBondContact O-N 3.28Å; D272-R382 PolarHBondContact O-NH1 3.42Å; D272-R382 WeakPolarHBondContact OD2-CA 3.3Å; D272-R382 WeakPolarHBondContact OD2-CB 3.3Å; D272-R382 VanDerWaalsContact OD2-CD 3.32Å; D272-R382 WeakPolarHBondContact OD2-CD 3.41Å; D272-R383 VanDerWaalsContact OD1-CG 3.31Å; D272-R383 WeakPolarHBondContact OD1-CG 3.33Å; D272-R383 IonicContact OD1-NE 3.71Å; D272-R383 PolarHBondContact OD1-NE 3.34Å; D272-R383 PolarHBondContact OD2-N 3.01Å |
| 273 | N | 90.3 | Very high | 90.5 | Very high | 43 Ų | 43 | 33.4 Ų | 33.4 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 12.9 | -174.9 | -51.2 | -71 | 0 | 0 | 0 | 115.5 | I218 Y219 V271 | I218-N273 HydrophobicContact CG2-CB 4.17Å; I218-N273 VanDerWaalsContact CG2-O 3.3Å; I218-N273 WeakPolarHBondContact CG2-O 3.38Å; Y219-N273 HydrophobicContact CD1-CB 3.73Å; Y219-N273 HydrophobicContact CD2-CB 4.08Å; Y219-N273 HydrophobicContact CE1-CB 3.56Å; Y219-N273 HydrophobicContact CE2-CB 3.92Å; Y219-N273 HydrophobicContact CG-CB 4Å; Y219-N273 PolarHBondContact N-OD1 3.26Å; V271-N273 VanDerWaalsContact C-N 3.29Å; V271-N273 PolarHBondContact O-N 3.26Å |
| 274 | L | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.1 | 173.3 | -60.9 | 171.8 | 0 | 0 | 0 | 110.3 | V270 V271 D272 V276 I287 D289 V360 F378 R382 | V270-L274 CarbonylContact C-O 3.58Å; V270-L274 VanDerWaalsContact CA-O 3.25Å; V270-L274 WeakPolarHBondContact CA-O 3.39Å; V271-L274 PolarHBondContact N-O 3.4Å; V271-L274 WeakPolarHBondContact O-CA 3.34Å; V271-L274 WeakPolarHBondContact O-CB 3.25Å; V271-L274 PolarHBondContact O-N 2.73Å; D272-L274 PolarHBondContact O-N 3.28Å; L274-V276 PolarHBondContact O-N 2.69Å; L274-I287 HydrophobicContact CB-CG2 4.02Å; L274-I287 HydrophobicContact CD1-CG2 3.89Å; L274-I287 HydrophobicContact CD2-CG2 4.1Å; L274-I287 HydrophobicContact CG-CG2 4.24Å; L274-D289 HydrophobicContact CD2-CB 3.58Å; L274-V360 HydrophobicContact CD1-CG1 4.5Å; L274-V360 HydrophobicContact CD1-CG2 4.21Å; L274-F378 HydrophobicContact CD1-CE2 3.82Å; L274-F378 HydrophobicContact CD1-CZ 3.77Å; L274-F378 HydrophobicContact CD2-CD2 4.48Å; L274-F378 HydrophobicContact CD2-CE2 3.7Å; L274-F378 HydrophobicContact CD2-CZ 4.49Å; L274-F378 HydrophobicContact CG-CE2 4.39Å; L274-R382 VanDerWaalsContact CD2-CZ 3.43Å |
| 275 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.1 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I218 M225 L258 V277 F288 | I218-V275 HydrophobicContact CD1-CG2 3.62Å; M225-V275 HydrophobicContact SD-CG1 4.02Å; M225-V275 HydrophobicContact SD-CG2 4.11Å; L258-V275 HydrophobicContact CD1-CB 3.85Å; L258-V275 HydrophobicContact CD1-CG1 3.62Å; L258-V275 HydrophobicContact CD1-CG2 4.25Å; V275-V277 HydrophobicContact CG1-CG2 4.18Å; V275-F288 HydrophobicContact CB-CB 4.39Å; V275-F288 PolarHBondContact N-O 3.41Å; V275-F288 PolarHBondContact O-N 3.41Å |
| 276 | V | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.3 | 176.5 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | L8 L268 N269 V271 L274 H278 I286 I287 L358 | L8-V276 HydrophobicContact CD1-CG1 3.67Å; L8-V276 HydrophobicContact CD2-CG2 4.37Å; L268-V276 WeakPolarHBondContact CA-O 3.16Å; N269-V276 HydrophobicContact CB-CB 4.27Å; N269-V276 PolarHBondContact N-O 3.25Å; N269-V276 PolarHBondContact O-N 3.25Å; V271-V276 HydrophobicContact CB-CG2 4.31Å; V271-V276 HydrophobicContact CG2-CG2 4.05Å; L274-V276 PolarHBondContact O-N 2.69Å; V276-H278 VanDerWaalsContact CG1-CE1 3.49Å; V276-H278 WeakPolarHBondContact CG1-CE1 3.22Å; V276-I286 CarbonylContact C-O 3.59Å; V276-I286 WeakPolarHBondContact CA-O 3.48Å; V276-I287 HydrophobicContact CG2-CG1 4.27Å; V276-L358 HydrophobicContact CB-CD2 4.42Å; V276-L358 HydrophobicContact CG1-CD2 4.2Å; V276-L358 HydrophobicContact CG2-CD2 4.43Å |
| 277 | V | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.7 | 177.7 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | V241 L260 F266 L268 V275 S285 I286 F288 | V241-V277 HydrophobicContact CG2-CG2 4.18Å; L260-V277 HydrophobicContact CD1-CG1 3.89Å; L260-V277 HydrophobicContact CD2-CB 3.97Å; L260-V277 HydrophobicContact CD2-CG1 3.78Å; L260-V277 HydrophobicContact CD2-CG2 3.87Å; L260-V277 HydrophobicContact CG-CG1 4.5Å; F266-V277 HydrophobicContact CB-CG1 4.14Å; F266-V277 HydrophobicContact CD1-CG1 3.83Å; F266-V277 HydrophobicContact CG-CG1 4.28Å; L268-V277 HydrophobicContact CD2-CB 4.15Å; L268-V277 HydrophobicContact CD2-CG1 3.92Å; L268-V277 HydrophobicContact CD2-CG2 3.61Å; V275-V277 HydrophobicContact CG1-CG2 4.18Å; V277-S285 CarbonylContact O-C 3.59Å; V277-S285 WeakPolarHBondContact O-CA 3.31Å; V277-I286 PolarHBondContact N-O 3.15Å; V277-I286 PolarHBondContact O-N 3.49Å; V277-F288 HydrophobicContact CB-CE2 4.49Å; V277-F288 HydrophobicContact CG2-CD2 4.05Å; V277-F288 HydrophobicContact CG2-CE2 3.92Å |
| 278 | H | 92.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.8 | 177 | -56 | -72.1 | 0 | 0 | 0 | 109.1 | F266 A267 V276 S285 Y335 | F266-H278 CarbonylContact C-O 3.57Å; F266-H278 WeakPolarHBondContact CA-O 3.28Å; A267-H278 HydrophobicContact CB-CB 4.26Å; A267-H278 PolarHBondContact N-O 3.5Å; A267-H278 PolarHBondContact O-N 3.44Å; V276-H278 VanDerWaalsContact CG1-CE1 3.49Å; V276-H278 WeakPolarHBondContact CG1-CE1 3.22Å; H278-S285 PolarHBondContact ND1-OG 2.89Å; H278-Y335 HydrophobicContact CB-CD1 4.28Å; H278-Y335 HydrophobicContact CB-CE1 3.96Å; H278-Y335 AromaticContact ND1-CE1 3.96Å |
| 279 | H | 91.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 3% | 0.032 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 110.5 | 173.1 | -175.5 | -134 | 0 | 0 | 0 | 109.7 | T263 F266 S281 T282 Q283 T284 | T263-H279 PolarHBondContact O-NE2 3.41Å; T263-H279 VanDerWaalsContact O-NE2 3.16Å; F266-H279 HydrophobicContact CD1-CB 3.91Å; F266-H279 AromaticContact CD1-CD2 3.68Å; F266-H279 HydrophobicContact CE1-CB 3.82Å; F266-H279 AromaticContact CE1-CD2 3.27Å; F266-H279 WeakPolarHBondContact CE1-CD2 3.4Å; F266-H279 AromaticContact CE1-CG 3.65Å; F266-H279 AromaticContact CZ-CD2 3.73Å; H279-S281 PolarHBondContact O-N 2.97Å; H279-T282 WeakPolarHBondContact ND1-CG2 3.44Å; H279-T282 PolarHBondContact ND1-OG1 3.02Å; H279-Q283 WeakPolarHBondContact O-CA 3.4Å; H279-Q283 PolarHBondContact O-N 2.79Å; H279-T284 PolarHBondContact N-O 2.98Å; H279-T284 PolarHBondContact O-N 3.21Å |
| 280 | Q | 87.4 | Confident | 91.6 | Very high | 55 Ų | 55 | 22 Ų | 22 | 26% | 0.257 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -43.1 | -170.6 | -167.7 | 174.4 | 20.4 | 0 | 0 | 112.5 | K265 T282 Q283 Y335 S336 S337 | K265-Q280 HydrophobicContact CB-CB 4.16Å; K265-Q280 PolarHBondContact O-N 3.31Å; Q280-T282 VanDerWaalsContact C-N 3.32Å; Q280-T282 PolarHBondContact O-N 3.25Å; Q280-Q283 PolarHBondContact O-N 3.25Å; Q280-Y335 VanDerWaalsContact CG-O 3.27Å; Q280-Y335 WeakPolarHBondContact CG-O 3.37Å; Q280-Y335 PolarHBondContact NE2-O 3.46Å; Q280-S336 PolarHBondContact NE2-O 3.14Å; Q280-S337 VanDerWaalsContact NE2-CA 3.25Å |
| 281 | S | 86.9 | Confident | 91.2 | Very high | 88 Ų | 88 | 26.4 Ų | 26.4 | 62% | 0.615 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33 | -174.1 | -48.6 | 0 | 0 | 0 | 0 | 113.3 | H279 | H279-S281 PolarHBondContact O-N 2.97Š|
| 282 | T | 88.4 | Confident | 90.7 | Very high | 75 Ų | 75 | 27.9 Ų | 27.9 | 46% | 0.46 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -1.4 | 177.5 | 58.2 | 0 | 0 | 0 | 0 | 113 | H279 Q280 T284 | H279-T282 WeakPolarHBondContact ND1-CG2 3.44Å; H279-T282 PolarHBondContact ND1-OG1 3.02Å; Q280-T282 VanDerWaalsContact C-N 3.32Å; Q280-T282 PolarHBondContact O-N 3.25Å; T282-T284 WeakPolarHBondContact O-CG2 3.49Å; T282-T284 PolarHBondContact O-N 3.18Å; T282-T284 PolarHBondContact OG1-OG1 2.93Å |
| 283 | Q | 91.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 33.3 Ų | 33.3 | 45% | 0.453 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.5 | -175.3 | -58.3 | -176.7 | -33.2 | 0 | 0 | 113 | H279 Q280 S310 Y335 | H279-Q283 WeakPolarHBondContact O-CA 3.4Å; H279-Q283 PolarHBondContact O-N 2.79Å; Q280-Q283 PolarHBondContact O-N 3.25Å; Q283-S310 WeakPolarHBondContact O-CA 3.23Å; Q283-S310 VanDerWaalsContact O-CB 3.26Å; Q283-S310 WeakPolarHBondContact O-CB 3.21Å; Q283-S310 PolarHBondContact O-OG 3.01Å; Q283-Y335 HydrophobicContact CB-CD2 3.61Å; Q283-Y335 HydrophobicContact CB-CE2 4.03Å; Q283-Y335 HydrophobicContact CB-CG 4.16Å; Q283-Y335 HydrophobicContact CG-CD2 4.05Å; Q283-Y335 HydrophobicContact CG-CG 4.32Å; Q283-Y335 VanDerWaalsContact O-CE2 3.29Å; Q283-Y335 WeakPolarHBondContact O-CE2 3.27Å |
| 284 | T | 91.7 | Very high | 88.3 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 160 | 179 | 57 | 0 | 0 | 0 | 0 | 111.3 | H279 T282 | H279-T284 PolarHBondContact N-O 2.98Å; H279-T284 PolarHBondContact O-N 3.21Å; T282-T284 WeakPolarHBondContact O-CG2 3.49Å; T282-T284 PolarHBondContact O-N 3.18Å; T282-T284 PolarHBondContact OG1-OG1 2.93Å |
| 285 | S | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.5 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | Y7 L8 V277 H278 P308 R309 Y335 | Y7-S285 PolarHBondContact OH-O 2.77Å; L8-S285 VanDerWaalsContact CD1-CB 3.49Å; V277-S285 CarbonylContact O-C 3.59Å; V277-S285 WeakPolarHBondContact O-CA 3.31Å; H278-S285 PolarHBondContact ND1-OG 2.89Å; S285-P308 WeakPolarHBondContact O-CA 3.49Å; S285-R309 WeakPolarHBondContact CA-O 3.34Å; S285-R309 PolarHBondContact N-O 2.73Å; S285-R309 PolarHBondContact O-N 3.5Å; S285-R309 VanDerWaalsContact O-N 3.15Å; S285-Y335 WeakPolarHBondContact OG-CE1 3.15Å; S285-Y335 PolarHBondContact OG-OH 2.72Å |
| 286 | I | 92.4 | Very high | 84.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.9 | -173.8 | -49.6 | 179.3 | 0 | 0 | 0 | 107.6 | V276 V277 F288 P304 P308 | V276-I286 CarbonylContact C-O 3.59Å; V276-I286 WeakPolarHBondContact CA-O 3.48Å; V277-I286 PolarHBondContact N-O 3.15Å; V277-I286 PolarHBondContact O-N 3.49Å; I286-F288 HydrophobicContact CB-CE2 3.98Å; I286-F288 HydrophobicContact CG2-CD2 4.22Å; I286-F288 HydrophobicContact CG2-CE2 3.42Å; I286-F288 VanDerWaalsContact CG2-CE2 3.42Å; I286-F288 HydrophobicContact CG2-CZ 3.6Å; I286-P304 HydrophobicContact CG2-CB 3.61Å; I286-P304 HydrophobicContact CG2-CG 3.57Å; I286-P308 HydrophobicContact CD1-CG 4.46Å; I286-P308 HydrophobicContact CG1-CB 4.09Å; I286-P308 HydrophobicContact CG1-CG 4.14Å |
| 287 | I | 93.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.6 | -179.3 | -66.9 | -173.8 | 0 | 0 | 0 | 110.4 | Y7 L8 L274 V276 P304 V305 L306 | Y7-I287 HydrophobicContact CD2-CD1 3.32Å; Y7-I287 HydrophobicContact CD2-CG1 4.23Å; Y7-I287 HydrophobicContact CE2-CD1 3.27Å; Y7-I287 HydrophobicContact CE2-CG1 3.65Å; L8-I287 HydrophobicContact CD1-CD1 4.31Å; L8-I287 HydrophobicContact CD1-CG1 4.42Å; L8-I287 HydrophobicContact CD2-CD1 3.95Å; L8-I287 HydrophobicContact CG-CD1 4.07Å; L274-I287 HydrophobicContact CB-CG2 4.02Å; L274-I287 HydrophobicContact CD1-CG2 3.89Å; L274-I287 HydrophobicContact CD2-CG2 4.1Å; L274-I287 HydrophobicContact CG-CG2 4.24Å; V276-I287 HydrophobicContact CG2-CG1 4.27Å; I287-P304 WeakPolarHBondContact O-CA 3.33Å; I287-V305 PolarHBondContact O-N 3.31Å; I287-L306 HydrophobicContact CD1-CD1 4.47Å |
| 288 | F | 92.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.2 | 171.8 | -61.1 | -91.7 | 0 | 0 | 0 | 110.7 | L258 K259 L260 V275 V277 I286 H302 P304 | L258-F288 HydrophobicContact CB-CD1 3.89Å; L258-F288 HydrophobicContact CB-CD2 4.2Å; L258-F288 HydrophobicContact CB-CE1 3.93Å; L258-F288 HydrophobicContact CB-CE2 4.24Å; L258-F288 HydrophobicContact CB-CG 4.02Å; L258-F288 HydrophobicContact CB-CZ 4.12Å; L258-F288 HydrophobicContact CD1-CB 3.84Å; L258-F288 HydrophobicContact CD1-CD1 4.5Å; L258-F288 HydrophobicContact CD1-CD2 3.91Å; L258-F288 HydrophobicContact CD1-CG 3.84Å; L258-F288 HydrophobicContact CD2-CB 3.89Å; L258-F288 HydrophobicContact CD2-CD1 4.03Å; L258-F288 HydrophobicContact CD2-CG 4.03Å; L258-F288 HydrophobicContact CG-CB 4.36Å; L258-F288 HydrophobicContact CG-CD1 4.35Å; L258-F288 HydrophobicContact CG-CG 4.17Å; K259-F288 WeakPolarHBondContact O-CZ 3.39Å; L260-F288 HydrophobicContact CD2-CE2 3.62Å; L260-F288 HydrophobicContact CD2-CZ 3.77Å; V275-F288 HydrophobicContact CB-CB 4.39Å; V275-F288 PolarHBondContact N-O 3.41Å; V275-F288 PolarHBondContact O-N 3.41Å; V277-F288 HydrophobicContact CB-CE2 4.49Å; V277-F288 HydrophobicContact CG2-CD2 4.05Å; V277-F288 HydrophobicContact CG2-CE2 3.92Å; I286-F288 HydrophobicContact CB-CE2 3.98Å; I286-F288 HydrophobicContact CG2-CD2 4.22Å; I286-F288 HydrophobicContact CG2-CE2 3.42Å; I286-F288 VanDerWaalsContact CG2-CE2 3.42Å; I286-F288 HydrophobicContact CG2-CZ 3.6Å; F288-H302 HydrophobicContact CD1-CB 4.26Å; F288-P304 HydrophobicContact CE1-CB 4.42Å; F288-P304 HydrophobicContact CE1-CG 3.89Å; F288-P304 HydrophobicContact CZ-CG 3.92Å |
| 289 | D | 91.3 | Very high | 80.3 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | trans | -114.1 | 108.8 | 168.9 | -177.4 | -1.6 | 0 | 0 | 0 | 108.8 | Y219 L274 K291 L292 V305 R382 | Y219-D289 WeakPolarHBondContact CE2-OD1 3.46Å; Y219-D289 PolarHBondContact OH-OD1 3.18Å; Y219-D289 PolarHBondContact OH-OD2 3.18Å; L274-D289 HydrophobicContact CD2-CB 3.58Å; D289-K291 PolarHBondContact O-N 3.19Å; D289-K291 PolarHBondContact OD1-N 2.6Å; D289-L292 HydrophobicContact CB-CB 3.85Å; D289-L292 PolarHBondContact O-N 3.36Å; D289-V305 HydrophobicContact CB-CG2 3.68Å; D289-V305 VanDerWaalsContact N-CG2 3.33Å; D289-R382 VanDerWaalsContact CG-NH2 3.33Å; D289-R382 IonicContact OD1-NH2 2.74Å; D289-R382 IonicContact OD2-CZ 3.57Å; D289-R382 IonicContact OD2-NH2 3.48Å; D289-R382 PolarHBondContact OD2-NH2 3.33Å | ||
| 290 | I | 89.8 | Confident | 79.9 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12 | -176.9 | 62.3 | 169.8 | 0 | 0 | 0 | 113.5 | I218 Y219 Y223 L243 L258 H302 | I218-I290 HydrophobicContact CB-CD1 4.21Å; I218-I290 HydrophobicContact CG2-CD1 3.67Å; I218-I290 HydrophobicContact CG2-CG1 4.15Å; Y219-I290 HydrophobicContact CD2-CD1 4Å; Y219-I290 HydrophobicContact CD2-CG1 3.79Å; Y219-I290 HydrophobicContact CE2-CD1 4.45Å; Y219-I290 HydrophobicContact CE2-CG1 3.76Å; Y223-I290 HydrophobicContact CE2-CD1 3.87Å; L243-I290 HydrophobicContact CD2-CG2 3.71Å; L258-I290 HydrophobicContact CD2-CG2 4.31Å; I290-H302 PolarHBondContact O-CE1 3.42Å |
| 291 | K | 85.6 | Confident | 79.7 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -7.4 | -168.2 | -136.2 | -170.5 | -147.9 | -168.5 | 0 | 111.2 | Y219 D289 R293 R381 | Y219-K291 HydrophobicContact CD1-CD 3.91Å; Y219-K291 HydrophobicContact CD2-CB 3.96Å; Y219-K291 HydrophobicContact CD2-CD 3.74Å; Y219-K291 HydrophobicContact CD2-CG 4.24Å; Y219-K291 HydrophobicContact CE1-CD 4.13Å; Y219-K291 HydrophobicContact CE2-CB 3.49Å; Y219-K291 VanDerWaalsContact CE2-CB 3.49Å; Y219-K291 HydrophobicContact CE2-CD 3.99Å; Y219-K291 HydrophobicContact CE2-CG 4.24Å; Y219-K291 HydrophobicContact CG-CD 3.7Å; D289-K291 PolarHBondContact O-N 3.19Å; D289-K291 PolarHBondContact OD1-N 2.6Å; K291-R293 VanDerWaalsContact C-N 3.31Å; K291-R293 PolarHBondContact O-N 3.09Å; K291-R381 VanDerWaalsContact CG-NH1 3.28Å; K291-R381 PolarHBondContact O-NH1 3.03Å |
| 292 | L | 81.4 | Confident | 79.7 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -69.5 | -27.1 | 179.7 | -172.7 | 64 | 0 | 0 | 0 | 113 | D289 V305 K374 D377 F378 | D289-L292 HydrophobicContact CB-CB 3.85Å; D289-L292 PolarHBondContact O-N 3.36Å; L292-V305 HydrophobicContact CD2-CB 4.34Å; L292-V305 HydrophobicContact CD2-CG1 3.71Å; L292-V305 HydrophobicContact CD2-CG2 3.85Å; L292-K374 HydrophobicContact CD1-CB 4.49Å; L292-D377 HydrophobicContact CD1-CB 3.98Å; L292-F378 HydrophobicContact CD1-CB 3.99Å |
| 293 | R | 71.2 | Confident | 79.6 | Confident | 135 Ų | 135 | 61.2 Ų | 61.2 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -102.4 | 135.5 | 175.2 | -166.3 | -177.9 | 175.9 | 161.9 | 3.5 | 110.1 | K291 D296 | K291-R293 VanDerWaalsContact C-N 3.31Å; K291-R293 PolarHBondContact O-N 3.09Å; R293-D296 IonicContact CZ-OD2 3.93Å; R293-D296 IonicContact NE-OD2 2.78Å; R293-D296 PolarHBondContact NE-OD2 3.12Å; R293-D296 IonicContact NH2-OD2 3.91Å; R293-D296 PolarHBondContact NH2-OD2 3.49Å |
| 294 | E | 58.6 | Low | 79.4 | Confident | 161 Ų | 161 | 58.7 Ų | 58.7 | 75% | 0.752 | 32% | 0.318 | S | S | * | . | trans | -66.1 | 140.2 | 169.2 | -67.7 | -176.6 | 178.4 | 0 | 0 | 110.1 | D296 | E294-D296 PolarHBondContact O-N 3.06Š| ||
| 295 | P | 57.5 | Low | 79.2 | Confident | 94 Ų | 94 | 58 Ų | 58 | 61% | 0.61 | 31% | 0.313 | S | S | * | . | trans | -71.6 | 94.8 | -176.6 | 28.6 | -34.1 | 0 | 0 | 0 | 111 | C297 N300 | P295-C297 PolarHBondContact O-N 2.92Å; P295-N300 VanDerWaalsContact CA-OD1 3.26Å; P295-N300 WeakPolarHBondContact CA-OD1 3.27Å; P295-N300 WeakPolarHBondContact CB-ND2 3.45Å; P295-N300 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 296 | D | 53.3 | Low | 78.9 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | trans | -69.9 | -21 | 176 | -64.4 | -37.2 | 0 | 0 | 0 | 112.4 | R293 E294 | R293-D296 IonicContact CZ-OD2 3.93Å; R293-D296 IonicContact NE-OD2 2.78Å; R293-D296 PolarHBondContact NE-OD2 3.12Å; R293-D296 IonicContact NH2-OD2 3.91Å; R293-D296 PolarHBondContact NH2-OD2 3.49Å; E294-D296 PolarHBondContact O-N 3.06Å | ||
| 297 | C | 56.1 | Low | 78.6 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 60% | 0.601 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -147.1 | 168.4 | -173.9 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | P295 L299 N300 | P295-C297 PolarHBondContact O-N 2.92Å; C297-L299 PolarHBondContact O-N 3.27Å; C297-L299 VanDerWaalsContact O-N 3.1Å; C297-N300 PolarHBondContact O-OD1 3.47Å |
| 298 | A | 60.7 | Low | 78.4 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 79% | 0.785 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -59.7 | -19 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 299 | L | 72.6 | Confident | 78.4 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -132.3 | 113.6 | 177.9 | -170 | 146.9 | 0 | 0 | 0 | 109.6 | K254 V257 C297 V301 | K254-L299 HydrophobicContact CD-CD1 3.58Å; K254-L299 HydrophobicContact CG-CD1 3.92Å; V257-L299 HydrophobicContact CB-CD2 4.33Å; V257-L299 HydrophobicContact CG2-CD2 3.69Å; V257-L299 HydrophobicContact CG2-CG 4.29Å; C297-L299 PolarHBondContact O-N 3.27Å; C297-L299 VanDerWaalsContact O-N 3.1Å; L299-V301 HydrophobicContact CD2-CG2 3.96Å |
| 300 | N | 81.9 | Confident | 78.4 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 117.9 | -174.4 | -63.1 | -39.3 | 0 | 0 | 0 | 110.6 | T255 N256 V257 P295 C297 H302 | T255-N300 PolarHBondContact O-N 3.03Å; N256-N300 CarbonylContact C-O 3.59Å; N256-N300 WeakPolarHBondContact CA-O 3.42Å; N256-N300 WeakPolarHBondContact OD1-CB 3.41Å; V257-N300 PolarHBondContact N-O 2.92Å; P295-N300 VanDerWaalsContact CA-OD1 3.26Å; P295-N300 WeakPolarHBondContact CA-OD1 3.27Å; P295-N300 WeakPolarHBondContact CB-ND2 3.45Å; P295-N300 WeakPolarHBondContact CB-OD1 3.36Å; C297-N300 PolarHBondContact O-OD1 3.47Å; N300-H302 WeakPolarHBondContact CB-NE2 3.48Å; N300-H302 PolarHBondContact O-CD2 2.93Å |
| 301 | V | 84.7 | Confident | 78.4 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.6 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 109 | V257 K259 L299 | V257-V301 WeakPolarHBondContact O-CA 3.38Å; K259-V301 HydrophobicContact CD-CG1 3.61Å; K259-V301 VanDerWaalsContact CE-CG1 3.45Å; K259-V301 HydrophobicContact CG-CG1 3.88Å; L299-V301 HydrophobicContact CD2-CG2 3.96Å |
| 302 | H | 87.2 | Confident | 78.6 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 3% | 0.032 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.9 | -176.3 | -62.6 | -80.4 | 0 | 0 | 0 | 111.6 | N256 V257 L258 K259 F288 I290 N300 | N256-H302 PolarHBondContact OD1-NE2 2.89Å; V257-H302 PolarHBondContact O-N 3.37Å; L258-H302 HydrophobicContact CD2-CB 3.66Å; K259-H302 PolarHBondContact N-O 3.36Å; F288-H302 HydrophobicContact CD1-CB 4.26Å; I290-H302 PolarHBondContact O-CE1 3.42Å; N300-H302 WeakPolarHBondContact CB-NE2 3.48Å; N300-H302 PolarHBondContact O-CD2 2.93Å |
| 303 | Q | 85.7 | Confident | 78.9 | Confident | 158 Ų | 158 | 67.9 Ų | 67.9 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | trans | -101.2 | 159.1 | 168.3 | -70.5 | -174.7 | -12 | 0 | 0 | 109.7 | V305 | Q303-V305 PolarHBondContact O-N 2.88Š| ||
| 304 | P | 87.3 | Confident | 79.5 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 29% | 0.286 | 36% | 0.356 | S | S | . | . | trans | -54.3 | 134.7 | 174 | -25.8 | 35.5 | 0 | 0 | 0 | 111.4 | I286 I287 F288 | I286-P304 HydrophobicContact CG2-CB 3.61Å; I286-P304 HydrophobicContact CG2-CG 3.57Å; I287-P304 WeakPolarHBondContact O-CA 3.33Å; F288-P304 HydrophobicContact CE1-CB 4.42Å; F288-P304 HydrophobicContact CE1-CG 3.89Å; F288-P304 HydrophobicContact CZ-CG 3.92Å | ||
| 305 | V | 86.9 | Confident | 80.6 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -70.2 | -41.1 | 177 | -180 | 0 | 0 | 0 | 0 | 110.2 | I287 D289 L292 Q303 L369 F378 | I287-V305 PolarHBondContact O-N 3.31Å; D289-V305 HydrophobicContact CB-CG2 3.68Å; D289-V305 VanDerWaalsContact N-CG2 3.33Å; L292-V305 HydrophobicContact CD2-CB 4.34Å; L292-V305 HydrophobicContact CD2-CG1 3.71Å; L292-V305 HydrophobicContact CD2-CG2 3.85Å; Q303-V305 PolarHBondContact O-N 2.88Å; V305-L369 HydrophobicContact CG1-CD1 4.24Å; V305-L369 HydrophobicContact CG1-CD2 4.23Å; V305-L369 VanDerWaalsContact O-CD2 3.31Å; V305-L369 WeakPolarHBondContact O-CD2 3.43Å; V305-F378 HydrophobicContact CG1-CD2 3.9Å; V305-F378 HydrophobicContact CG1-CE2 4.03Å |
| 306 | L | 86.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -120.8 | 154 | -178 | -63.1 | 173.3 | 0 | 0 | 0 | 110.2 | Y7 I287 T365 L368 L369 | Y7-L306 HydrophobicContact CD1-CB 4.33Å; Y7-L306 HydrophobicContact CD1-CD1 3.84Å; Y7-L306 HydrophobicContact CD2-CD1 3.92Å; Y7-L306 HydrophobicContact CE1-CB 3.85Å; Y7-L306 HydrophobicContact CE1-CD1 4.14Å; Y7-L306 HydrophobicContact CE2-CD1 4.32Å; Y7-L306 HydrophobicContact CG-CD1 3.69Å; I287-L306 HydrophobicContact CD1-CD1 4.47Å; L306-T365 HydrophobicContact CD1-CG2 3.81Å; L306-L368 HydrophobicContact CD2-CB 3.78Å; L306-L368 HydrophobicContact CD2-CD1 4.42Å; L306-L369 HydrophobicContact CD2-CD1 3.93Å; L306-L369 HydrophobicContact CD2-CD2 4.19Å; L306-L369 HydrophobicContact CD2-CG 3.62Å |
| 307 | P | 87.7 | Confident | 82.3 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | trans | -54.1 | 140.7 | 169.7 | -24.6 | 34.2 | 0 | 0 | 0 | 111.1 | Y7 R309 L368 | Y7-P307 WeakPolarHBondContact CE1-O 3.46Å; Y7-P307 PolarHBondContact OH-O 3.13Å; P307-R309 PolarHBondContact O-N 3.1Å; P307-L368 HydrophobicContact CG-CD2 4.44Å | ||
| 308 | P | 88.9 | Confident | 82.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | trans | -57.1 | 126.2 | 176.5 | -25.5 | 34.6 | 0 | 0 | 0 | 111.6 | S285 I286 | S285-P308 WeakPolarHBondContact O-CA 3.49Å; I286-P308 HydrophobicContact CD1-CG 4.46Å; I286-P308 HydrophobicContact CG1-CB 4.09Å; I286-P308 HydrophobicContact CG1-CG 4.14Å | ||
| 309 | R | 91.1 | Very high | 82.2 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -135.7 | 153.8 | 177.2 | -67.2 | -67.8 | -175.4 | 177.4 | 0.6 | 110.3 | Y7 S285 P307 | Y7-R309 HydrophobicContact CD1-CB 4.19Å; Y7-R309 HydrophobicContact CD1-CG 4.07Å; Y7-R309 HydrophobicContact CE1-CB 3.51Å; Y7-R309 HydrophobicContact CE1-CG 3.43Å; Y7-R309 VanDerWaalsContact CE1-CG 3.43Å; Y7-R309 PolarHBondContact OH-N 3.43Å; S285-R309 WeakPolarHBondContact CA-O 3.34Å; S285-R309 PolarHBondContact N-O 2.73Å; S285-R309 PolarHBondContact O-N 3.5Å; S285-R309 VanDerWaalsContact O-N 3.15Å; P307-R309 PolarHBondContact O-N 3.1Å |
| 310 | S | 91.9 | Very high | 81.4 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 158.6 | 171.7 | -153.7 | 0 | 0 | 0 | 0 | 110.5 | Y6 Q283 Y335 | Y6-S310 WeakPolarHBondContact CD1-O 3.23Å; Q283-S310 WeakPolarHBondContact O-CA 3.23Å; Q283-S310 VanDerWaalsContact O-CB 3.26Å; Q283-S310 WeakPolarHBondContact O-CB 3.21Å; Q283-S310 PolarHBondContact O-OG 3.01Å; S310-Y335 WeakPolarHBondContact CA-OH 3.34Å; S310-Y335 WeakPolarHBondContact OG-CE2 3.46Å |
| 311 | I | 90.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 144 | 166.2 | -64.8 | 159.1 | 0 | 0 | 0 | 107.9 | L8 L10 L334 Y335 W339 I347 L358 | L8-I311 HydrophobicContact CB-CG1 4.17Å; L8-I311 HydrophobicContact CD1-CG1 4.45Å; L10-I311 HydrophobicContact CD2-CG2 4.2Å; L10-I311 HydrophobicContact CG-CG2 3.98Å; I311-L334 HydrophobicContact CB-CD1 4.23Å; I311-L334 VanDerWaalsContact O-CD1 3.22Å; I311-L334 WeakPolarHBondContact O-CD1 3.34Å; I311-Y335 HydrophobicContact CD1-CE1 4.29Å; I311-Y335 HydrophobicContact CD1-CE2 4.49Å; I311-Y335 WeakPolarHBondContact CG1-OH 3.37Å; I311-Y335 PolarHBondContact N-OH 3.4Å; I311-W339 HydrophobicContact CD1-CZ3 4.29Å; I311-I347 HydrophobicContact CD1-CD1 4.36Å; I311-L358 HydrophobicContact CD1-CD1 4.07Å; I311-L358 HydrophobicContact CG1-CD1 4.11Å; I311-L358 HydrophobicContact CG2-CD1 4.43Å |
| 312 | H | 89.6 | Confident | 77.8 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 19% | 0.185 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 127.6 | 177.1 | -174.1 | -79.4 | 0 | 0 | 0 | 109.9 | Y6 L8 E9 Y314 | Y6-H312 AromaticContact CD2-CD2 3.65Å; Y6-H312 HydrophobicContact CG-CB 4.22Å; Y6-H312 AromaticContact CG-CD2 3.98Å; L8-H312 VanDerWaalsContact O-CB 3.3Å; L8-H312 WeakPolarHBondContact O-CB 3.38Å; L8-H312 PolarHBondContact O-N 3.26Å; E9-H312 HydrophobicContact CB-CB 4.01Å; H312-Y314 PolarHBondContact O-N 2.88Å; H312-Y314 VanDerWaalsContact O-N 3.15Å |
| 313 | P | 86.6 | Confident | 75.7 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 123.3 | 178.8 | -28.6 | 35.6 | 0 | 0 | 0 | 111.3 | ||
| 314 | Y | 84.1 | Confident | 73.8 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 137.6 | -179.5 | -170.3 | -93.7 | 0 | 0 | 0 | 109.8 | L10 C11 E12 P14 H312 I316 C332 W356 | L10-Y314 HydrophobicContact CB-CD2 3.91Å; L10-Y314 HydrophobicContact CB-CE2 4.47Å; L10-Y314 HydrophobicContact CB-CG 4.32Å; L10-Y314 HydrophobicContact CD1-CG 4.19Å; C11-Y314 WeakPolarHBondContact O-CE2 3.48Å; E12-Y314 PolarHBondContact O-OH 3.2Å; P14-Y314 WeakPolarHBondContact CD-OH 3.45Å; P14-Y314 WeakPolarHBondContact CG-OH 3.2Å; H312-Y314 PolarHBondContact O-N 2.88Å; H312-Y314 VanDerWaalsContact O-N 3.15Å; Y314-I316 HydrophobicContact CD1-CG1 4.15Å; Y314-I316 HydrophobicContact CE1-CG1 4.22Å; Y314-C332 HydrophobicContact CD1-CB 4.22Å; Y314-C332 VanDerWaalsContact O-CB 3.3Å; Y314-C332 WeakPolarHBondContact O-CB 3.48Å; Y314-C332 PolarHBondContact O-N 3Å; Y314-W356 HydrophobicContact CD1-CZ2 4.49Å; Y314-W356 AromaticContact CD1-NE1 3.66Å; Y314-W356 AromaticContact CE1-NE1 3.36Å; Y314-W356 AromaticContact CZ-NE1 3.74Å |
| 315 | R | 82.6 | Confident | 72.1 | Confident | 177 Ų | 177 | 66.8 Ų | 66.8 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.2 | 175.6 | -66.5 | -172.4 | 178.4 | 176.1 | -1.7 | 108.5 | P317 P329 | R315-P317 WeakPolarHBondContact O-CD 3.42Å; R315-P329 HydrophobicContact CB-CB 4.02Å; R315-P329 HydrophobicContact CB-CG 4.19Å |
| 316 | I | 77.9 | Confident | 70.3 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 5% | 0.046 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.4 | -175.9 | -60.1 | 174.8 | 0 | 0 | 0 | 108.4 | Y314 L318 P329 V330 C332 Y354 W356 | Y314-I316 HydrophobicContact CD1-CG1 4.15Å; Y314-I316 HydrophobicContact CE1-CG1 4.22Å; I316-L318 PolarHBondContact O-N 3.11Å; I316-P329 WeakPolarHBondContact O-CA 3.32Å; I316-P329 VanDerWaalsContact O-CB 3.27Å; I316-P329 WeakPolarHBondContact O-CB 3.48Å; I316-V330 PolarHBondContact N-O 3.38Å; I316-V330 PolarHBondContact O-N 3.48Å; I316-C332 HydrophobicContact CD1-CB 3.98Å; I316-C332 HydrophobicContact CG1-CB 3.93Å; I316-Y354 HydrophobicContact CD1-CD2 4.22Å; I316-Y354 HydrophobicContact CD1-CE2 4.04Å; I316-Y354 HydrophobicContact CG2-CD2 4.44Å; I316-Y354 HydrophobicContact CG2-CE1 3.74Å; I316-Y354 HydrophobicContact CG2-CE2 3.59Å; I316-Y354 WeakPolarHBondContact CG2-OH 3.43Å; I316-W356 HydrophobicContact CD1-CZ2 4.45Å |
| 317 | P | 67 | Low | 68.7 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | trans | -67.7 | 126.5 | 171 | 27.2 | -30.5 | 0 | 0 | 0 | 109.1 | R315 T319 | R315-P317 WeakPolarHBondContact O-CD 3.42Å; P317-T319 PolarHBondContact O-N 3.12Å | ||
| 318 | L | 61.2 | Low | 67.3 | Low | 80 Ų | 80 | 78.8 Ų | 78.8 | 42% | 0.419 | 47% | 0.468 | S | S | . | . | trans | -73.6 | 89.2 | 176.6 | -77.7 | 156.9 | 0 | 0 | 0 | 109.6 | I316 Q327 V330 | I316-L318 PolarHBondContact O-N 3.11Å; L318-Q327 HydrophobicContact CD1-CB 3.8Å; L318-V330 HydrophobicContact CD1-CG2 4.28Å; L318-V330 HydrophobicContact CD2-CG2 4.44Å; L318-V330 HydrophobicContact CG-CG2 4.46Å | ||
| 319 | T | 54.8 | Low | 66.3 | Low | 83 Ų | 83 | 78.4 Ų | 78.4 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | trans | -102 | 108.8 | 170.8 | 36.8 | 0 | 0 | 0 | 0 | 110.4 | Q16 P317 | Q16-T319 PolarHBondContact NE2-O 3.47Å; Q16-T319 PolarHBondContact OE1-O 3Å; Q16-T319 PolarHBondContact OE1-OG1 2.96Å; P317-T319 PolarHBondContact O-N 3.12Å | ||
| 320 | G | 54.5 | Low | 65.7 | Low | 41 Ų | 41 | 77.4 Ų | 77.4 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -171.4 | 164 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S322 A323 | G320-S322 PolarHBondContact O-N 3.17Å; G320-A323 WeakPolarHBondContact O-CB 3.48Å; G320-A323 PolarHBondContact O-N 3.45Å |
| 321 | P | 47.4 | Very low | 65.1 | Low | 153 Ų | 153 | 80.7 Ų | 80.7 | 99% | 0.994 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.6 | -178.3 | 24.4 | -31.9 | 0 | 0 | 0 | 114.3 | ||
| 322 | S | 44.2 | Very low | 64.6 | Low | 112 Ų | 112 | 81.4 Ų | 81.4 | 78% | 0.783 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 12.3 | 174 | -154 | 0 | 0 | 0 | 0 | 113.2 | G320 V324 | G320-S322 PolarHBondContact O-N 3.17Å; S322-V324 PolarHBondContact O-N 3.08Å |
| 323 | A | 42.6 | Very low | 64.3 | Low | 55 Ų | 55 | 85.6 Ų | 85.6 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -68.3 | 97 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G320 | G320-A323 WeakPolarHBondContact O-CB 3.48Å; G320-A323 PolarHBondContact O-N 3.45Å | ||
| 324 | V | 46.6 | Very low | 64.2 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | trans | -69.3 | 126.8 | 159.9 | -171.6 | 0 | 0 | 0 | 0 | 106.2 | S322 S326 | S322-V324 PolarHBondContact O-N 3.08Å; V324-S326 PolarHBondContact O-N 3.35Å | ||
| 325 | P | 51.4 | Low | 64.3 | Low | 140 Ų | 140 | 82.6 Ų | 82.6 | 91% | 0.909 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 17.4 | -172.6 | 23.6 | -32.8 | 0 | 0 | 0 | 115.5 | ||
| 326 | S | 48.4 | Very low | 64.3 | Low | 96 Ų | 96 | 74.9 Ų | 74.9 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | 4.5 | -172.1 | 69.3 | 0 | 0 | 0 | 0 | 115.3 | V324 | V324-S326 PolarHBondContact O-N 3.35Š|
| 327 | Q | 52.8 | Low | 64.5 | Low | 130 Ų | 130 | 79.6 Ų | 79.6 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 131.7 | 177.2 | -77.7 | -170.8 | -17.3 | 0 | 0 | 112 | L318 | L318-Q327 HydrophobicContact CD1-CB 3.8Š|
| 328 | P | 58.3 | Low | 65.2 | Low | 104 Ų | 104 | 78.7 Ų | 78.7 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 145.9 | 176.4 | 28.1 | -33.4 | 0 | 0 | 0 | 110.5 | V330 | P328-V330 PolarHBondContact O-N 3.06Š|
| 329 | P | 69.4 | Low | 66.4 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 37% | 0.37 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 136.8 | 179.4 | 26.8 | -34.7 | 0 | 0 | 0 | 110.8 | R315 I316 | R315-P329 HydrophobicContact CB-CB 4.02Å; R315-P329 HydrophobicContact CB-CG 4.19Å; I316-P329 WeakPolarHBondContact O-CA 3.32Å; I316-P329 VanDerWaalsContact O-CB 3.27Å; I316-P329 WeakPolarHBondContact O-CB 3.48Å |
| 330 | V | 77.3 | Confident | 68.1 | Low | 76 Ų | 76 | 75.1 Ų | 75.1 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.8 | -173.5 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | I316 L318 P328 C332 | I316-V330 PolarHBondContact N-O 3.38Å; I316-V330 PolarHBondContact O-N 3.48Å; L318-V330 HydrophobicContact CD1-CG2 4.28Å; L318-V330 HydrophobicContact CD2-CG2 4.44Å; L318-V330 HydrophobicContact CG-CG2 4.46Å; P328-V330 PolarHBondContact O-N 3.06Å; V330-C332 PolarHBondContact O-N 3.47Å |
| 331 | P | 78.9 | Confident | 69.8 | Low | 102 Ų | 102 | 75.1 Ų | 75.1 | 66% | 0.662 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.8 | 175.3 | 26.8 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 332 | C | 81.1 | Confident | 71.9 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 10% | 0.101 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 129.4 | 173 | -174 | 0 | 0 | 0 | 0 | 109.8 | Y314 I316 V330 L334 | Y314-C332 HydrophobicContact CD1-CB 4.22Å; Y314-C332 VanDerWaalsContact O-CB 3.3Å; Y314-C332 WeakPolarHBondContact O-CB 3.48Å; Y314-C332 PolarHBondContact O-N 3Å; I316-C332 HydrophobicContact CD1-CB 3.98Å; I316-C332 HydrophobicContact CG1-CB 3.93Å; V330-C332 PolarHBondContact O-N 3.47Å; C332-L334 PolarHBondContact O-N 2.66Å |
| 333 | E | 82.8 | Confident | 74.1 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | trans | -71.7 | 98.5 | 170.6 | -170.6 | -172.7 | -162.6 | 0 | 0 | 109.6 | S336 W339 | E333-S336 PolarHBondContact OE2-OG 2.7Å; E333-S336 VanDerWaalsContact OE2-OG 3.06Å; E333-W339 WeakPolarHBondContact O-CZ2 3.35Å; E333-W339 PolarHBondContact O-NE1 3.15Å | ||
| 334 | L | 85.3 | Confident | 76.2 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 143.4 | 177 | -57.9 | 178.3 | 0 | 0 | 0 | 111 | L10 I311 C332 S336 W339 | L10-L334 HydrophobicContact CD1-CD2 4.04Å; I311-L334 HydrophobicContact CB-CD1 4.23Å; I311-L334 VanDerWaalsContact O-CD1 3.22Å; I311-L334 WeakPolarHBondContact O-CD1 3.34Å; C332-L334 PolarHBondContact O-N 2.66Å; L334-S336 PolarHBondContact O-N 3.22Å; L334-W339 VanDerWaalsContact CA-CH2 3.48Å; L334-W339 VanDerWaalsContact CA-CZ2 3.44Å; L334-W339 HydrophobicContact CB-CH2 3.92Å; L334-W339 HydrophobicContact CB-CZ2 4.31Å; L334-W339 HydrophobicContact CD2-CH2 3.6Å; L334-W339 HydrophobicContact CD2-CZ2 3.93Å; L334-W339 HydrophobicContact CG-CH2 4.36Å |
| 335 | Y | 85.4 | Confident | 78.4 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 5% | 0.051 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 25 | 179.4 | -48.9 | -95 | 0 | 0 | 0 | 114.3 | H278 Q280 Q283 S285 S310 I311 | H278-Y335 HydrophobicContact CB-CD1 4.28Å; H278-Y335 HydrophobicContact CB-CE1 3.96Å; H278-Y335 AromaticContact ND1-CE1 3.96Å; Q280-Y335 VanDerWaalsContact CG-O 3.27Å; Q280-Y335 WeakPolarHBondContact CG-O 3.37Å; Q280-Y335 PolarHBondContact NE2-O 3.46Å; Q283-Y335 HydrophobicContact CB-CD2 3.61Å; Q283-Y335 HydrophobicContact CB-CE2 4.03Å; Q283-Y335 HydrophobicContact CB-CG 4.16Å; Q283-Y335 HydrophobicContact CG-CD2 4.05Å; Q283-Y335 HydrophobicContact CG-CG 4.32Å; Q283-Y335 VanDerWaalsContact O-CE2 3.29Å; Q283-Y335 WeakPolarHBondContact O-CE2 3.27Å; S285-Y335 WeakPolarHBondContact OG-CE1 3.15Å; S285-Y335 PolarHBondContact OG-OH 2.72Å; S310-Y335 WeakPolarHBondContact CA-OH 3.34Å; S310-Y335 WeakPolarHBondContact OG-CE2 3.46Å; I311-Y335 HydrophobicContact CD1-CE1 4.29Å; I311-Y335 HydrophobicContact CD1-CE2 4.49Å; I311-Y335 WeakPolarHBondContact CG1-OH 3.37Å; I311-Y335 PolarHBondContact N-OH 3.4Å |
| 336 | S | 83.9 | Confident | 80.4 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | trans | -58 | 151.8 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | Q280 E333 L334 S338 W339 | Q280-S336 PolarHBondContact NE2-O 3.14Å; E333-S336 PolarHBondContact OE2-OG 2.7Å; E333-S336 VanDerWaalsContact OE2-OG 3.06Å; L334-S336 PolarHBondContact O-N 3.22Å; S336-S338 PolarHBondContact O-N 3.19Å; S336-S338 PolarHBondContact OG-OG 3.49Å; S336-W339 WeakPolarHBondContact O-CB 3.15Å; S336-W339 PolarHBondContact O-N 3.41Å; S336-W339 VanDerWaalsContact O-N 3.14Å | ||
| 337 | S | 81.1 | Confident | 82.5 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 76% | 0.755 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.5 | 177.3 | 53 | 0 | 0 | 0 | 0 | 114.4 | Q280 W339 | Q280-S337 VanDerWaalsContact NE2-CA 3.25Å; S337-W339 VanDerWaalsContact C-N 3.31Å |
| 338 | S | 82.4 | Confident | 84.3 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7 | 174.1 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | S336 S340 S351 | S336-S338 PolarHBondContact O-N 3.19Å; S336-S338 PolarHBondContact OG-OG 3.49Å; S338-S340 PolarHBondContact O-N 2.9Å; S338-S351 WeakPolarHBondContact CB-OG 3.29Å; S338-S351 PolarHBondContact OG-OG 2.83Å; S338-S351 VanDerWaalsContact OG-OG 3.06Å |
| 339 | W | 86.8 | Confident | 85.8 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 130.9 | -179.4 | -74 | 14.3 | 0 | 0 | 0 | 111.6 | I311 E333 L334 S336 S337 I347 | I311-W339 HydrophobicContact CD1-CZ3 4.29Å; E333-W339 WeakPolarHBondContact O-CZ2 3.35Å; E333-W339 PolarHBondContact O-NE1 3.15Å; L334-W339 VanDerWaalsContact CA-CH2 3.48Å; L334-W339 VanDerWaalsContact CA-CZ2 3.44Å; L334-W339 HydrophobicContact CB-CH2 3.92Å; L334-W339 HydrophobicContact CB-CZ2 4.31Å; L334-W339 HydrophobicContact CD2-CH2 3.6Å; L334-W339 HydrophobicContact CD2-CZ2 3.93Å; L334-W339 HydrophobicContact CG-CH2 4.36Å; S336-W339 WeakPolarHBondContact O-CB 3.15Å; S336-W339 PolarHBondContact O-N 3.41Å; S336-W339 VanDerWaalsContact O-N 3.14Å; S337-W339 VanDerWaalsContact C-N 3.31Å; W339-I347 HydrophobicContact CD2-CG2 3.89Å; W339-I347 HydrophobicContact CE3-CG2 3.75Å; W339-I347 HydrophobicContact CG-CG2 4.3Å; W339-I347 HydrophobicContact CZ3-CD1 4.33Å; W339-I347 HydrophobicContact CZ3-CG2 4.12Å |
| 340 | S | 88.8 | Confident | 86.5 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.2 | 168.8 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | S338 I348 | S338-S340 PolarHBondContact O-N 2.9Å; S340-I348 PolarHBondContact N-O 3.05Å; S340-I348 PolarHBondContact O-N 3.22Å |
| 341 | V | 91.1 | Very high | 86.9 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.4 | -172.1 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | A267 L268 N269 | A267-V341 HydrophobicContact CB-CB 4.01Å; A267-V341 HydrophobicContact CB-CG1 4.2Å; A267-V341 HydrophobicContact CB-CG2 3.69Å; L268-V341 WeakPolarHBondContact O-CG1 3.29Å; N269-V341 WeakPolarHBondContact OD1-CG1 3.29Å |
| 342 | F | 91.3 | Very high | 87 | Confident | 59 Ų | 59 | 39.1 Ų | 39.1 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.7 | -175.5 | -65.6 | -86.4 | 0 | 0 | 0 | 110.6 | F28 E30 I346 I348 | F28-F342 HydrophobicContact CB-CE2 4.47Å; F28-F342 HydrophobicContact CB-CZ 4.33Å; F28-F342 HydrophobicContact CD1-CB 4.32Å; F28-F342 AromaticContact CD1-CD1 3.71Å; F28-F342 HydrophobicContact CD1-CD1 3.71Å; F28-F342 AromaticContact CD1-CD2 3.93Å; F28-F342 HydrophobicContact CD1-CD2 3.93Å; F28-F342 AromaticContact CD1-CE1 3.91Å; F28-F342 HydrophobicContact CD1-CE1 3.91Å; F28-F342 HydrophobicContact CD1-CE2 4.11Å; F28-F342 AromaticContact CD1-CG 3.73Å; F28-F342 HydrophobicContact CD1-CG 3.73Å; F28-F342 HydrophobicContact CD1-CZ 4.1Å; F28-F342 HydrophobicContact CE1-CB 3.84Å; F28-F342 HydrophobicContact CE1-CD1 4.02Å; F28-F342 HydrophobicContact CE1-CD2 4.21Å; F28-F342 AromaticContact CE1-CG 3.77Å; F28-F342 HydrophobicContact CE1-CG 3.77Å; F28-F342 HydrophobicContact CG-CE2 4.46Å; E30-F342 HydrophobicContact CG-CD1 4.47Å; F342-I346 HydrophobicContact CB-CB 4.15Å; F342-I346 PolarHBondContact N-O 2.81Å; F342-I346 PolarHBondContact O-N 2.69Å; F342-I348 HydrophobicContact CD2-CD1 3.75Å; F342-I348 HydrophobicContact CD2-CG1 4.07Å; F342-I348 HydrophobicContact CE2-CB 4.48Å; F342-I348 HydrophobicContact CE2-CD1 3.78Å; F342-I348 HydrophobicContact CE2-CG1 4.27Å |
| 343 | Q | 90.8 | Very high | 87.3 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 149 | 178.3 | -60.7 | -53.9 | -59.4 | 0 | 0 | 111.5 | A214 A216 L268 | A214-Q343 HydrophobicContact CB-CG 4.28Å; A216-Q343 HydrophobicContact CB-CG 4.5Å; L268-Q343 PolarHBondContact O-NE2 3.34Å |
| 344 | P | 87.2 | Confident | 87.6 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 14% | 0.143 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -81.4 | -42.2 | -4.8 | 30.9 | -32.1 | 0 | 0 | 0 | 112.6 | N269 V270 | N269-P344 CarbonylContact C-O 3.58Å; N269-P344 WeakPolarHBondContact CA-O 3.44Å; N269-P344 WeakPolarHBondContact CB-O 3.21Å; V270-P344 CarbonylContact C-O 3.54Å; V270-P344 HydrophobicContact CB-CB 4.36Å; V270-P344 PolarHBondContact N-O 3.4Å; V270-P344 CarbonylContact O-C 3.58Å; V270-P344 WeakPolarHBondContact O-CB 3.48Å |
| 345 | D | 92.1 | Very high | 87.8 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 25.3 | -164 | 57.4 | -11.6 | 0 | 0 | 0 | 113.8 | V271 Y357 L358 | V271-D345 HydrophobicContact CG2-CB 3.86Å; D345-Y357 CarbonylContact O-C 3.59Å; D345-Y357 WeakPolarHBondContact O-CA 3.39Å; D345-L358 PolarHBondContact O-N 2.86Å |
| 346 | I | 92.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.8 | -167.3 | -56.3 | 176.5 | 0 | 0 | 0 | 110.7 | F28 K33 F342 I348 Q355 Y357 | F28-I346 HydrophobicContact CE1-CD1 4.43Å; F28-I346 HydrophobicContact CE2-CD1 4.48Å; F28-I346 HydrophobicContact CZ-CD1 3.64Å; F28-I346 HydrophobicContact CZ-CG2 4.23Å; K33-I346 HydrophobicContact CB-CD1 4.24Å; K33-I346 HydrophobicContact CD-CD1 4.02Å; K33-I346 HydrophobicContact CG-CD1 4Å; F342-I346 HydrophobicContact CB-CB 4.15Å; F342-I346 PolarHBondContact N-O 2.81Å; F342-I346 PolarHBondContact O-N 2.69Å; I346-I348 HydrophobicContact CG2-CD1 4.15Å; I346-I348 HydrophobicContact CG2-CG1 3.83Å; I346-Q355 HydrophobicContact CG2-CG 3.97Å; I346-Y357 HydrophobicContact CD1-CE1 3.98Å; I346-Y357 HydrophobicContact CG1-CD1 3.94Å; I346-Y357 HydrophobicContact CG1-CE1 3.72Å |
| 347 | I | 92.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.5 | 173.7 | -59.4 | 175.6 | 0 | 0 | 0 | 108.2 | L10 I311 W339 Q355 W356 L358 | L10-I347 HydrophobicContact CD2-CD1 3.99Å; I311-I347 HydrophobicContact CD1-CD1 4.36Å; W339-I347 HydrophobicContact CD2-CG2 3.89Å; W339-I347 HydrophobicContact CE3-CG2 3.75Å; W339-I347 HydrophobicContact CG-CG2 4.3Å; W339-I347 HydrophobicContact CZ3-CD1 4.33Å; W339-I347 HydrophobicContact CZ3-CG2 4.12Å; I347-Q355 WeakPolarHBondContact O-CA 3.39Å; I347-W356 HydrophobicContact CG2-CE3 4.44Å; I347-W356 PolarHBondContact N-O 3.36Å; I347-W356 PolarHBondContact O-N 2.84Å; I347-L358 HydrophobicContact CD1-CB 4.45Å; I347-L358 HydrophobicContact CD1-CD1 4.41Å |
| 348 | I | 91.1 | Very high | 89.1 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.8 | -178.5 | -53.5 | -175.9 | 0 | 0 | 0 | 109.2 | F17 F28 S340 F342 I346 Q355 | F17-I348 HydrophobicContact CE1-CG2 4.03Å; F17-I348 HydrophobicContact CZ-CG2 3.74Å; F28-I348 HydrophobicContact CB-CD1 3.99Å; F28-I348 HydrophobicContact CD1-CD1 4.13Å; F28-I348 HydrophobicContact CD2-CD1 3.39Å; F28-I348 HydrophobicContact CE2-CD1 3.84Å; F28-I348 HydrophobicContact CG-CD1 3.56Å; F28-I348 HydrophobicContact CZ-CD1 4.39Å; S340-I348 PolarHBondContact N-O 3.05Å; S340-I348 PolarHBondContact O-N 3.22Å; F342-I348 HydrophobicContact CD2-CD1 3.75Å; F342-I348 HydrophobicContact CD2-CG1 4.07Å; F342-I348 HydrophobicContact CE2-CB 4.48Å; F342-I348 HydrophobicContact CE2-CD1 3.78Å; F342-I348 HydrophobicContact CE2-CG1 4.27Å; I346-I348 HydrophobicContact CG2-CD1 4.15Å; I346-I348 HydrophobicContact CG2-CG1 3.83Å; I348-Q355 HydrophobicContact CG1-CB 4.16Å; I348-Q355 HydrophobicContact CG1-CG 4.18Å |
| 349 | S | 89.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 99.7 | 165.4 | -178.1 | 0 | 0 | 0 | 0 | 109 | S351 E352 G353 Y354 | S349-S351 VanDerWaalsContact C-N 3.27Å; S349-S351 PolarHBondContact O-N 3.34Å; S349-S351 PolarHBondContact OG-OG 3.29Å; S349-E352 PolarHBondContact O-N 3.13Å; S349-E352 WeakPolarHBondContact OG-CB 3.48Å; S349-E352 WeakPolarHBondContact OG-CG 3.48Å; S349-E352 PolarHBondContact OG-N 3.4Å; S349-G353 PolarHBondContact O-N 3.17Å; S349-Y354 PolarHBondContact N-O 3.36Å; S349-Y354 PolarHBondContact O-N 2.74Å |
| 350 | A | 84.6 | Confident | 89.7 | Confident | 28 Ų | 28 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -31.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A20 | A20-A350 HydrophobicContact CB-CB 4.09Å; A20-A350 WeakPolarHBondContact CB-O 3.5Å; A20-A350 PolarHBondContact N-O 3.01Å |
| 351 | S | 84.7 | Confident | 89.8 | Confident | 47 Ų | 47 | 29.2 Ų | 29.2 | 33% | 0.329 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -36.4 | 179.6 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | N19 S338 S349 | N19-S351 VanDerWaalsContact CB-O 3.28Å; N19-S351 WeakPolarHBondContact CB-O 3.37Å; S338-S351 WeakPolarHBondContact CB-OG 3.29Å; S338-S351 PolarHBondContact OG-OG 2.83Å; S338-S351 VanDerWaalsContact OG-OG 3.06Å; S349-S351 VanDerWaalsContact C-N 3.27Å; S349-S351 PolarHBondContact O-N 3.34Å; S349-S351 PolarHBondContact OG-OG 3.29Å |
| 352 | E | 82.6 | Confident | 89.5 | Confident | 109 Ų | 109 | 27.7 Ų | 27.7 | 51% | 0.509 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -18.6 | -179.6 | -59.1 | -58.9 | 128.4 | 0 | 0 | 112.5 | S349 Y354 | S349-E352 PolarHBondContact O-N 3.13Å; S349-E352 WeakPolarHBondContact OG-CB 3.48Å; S349-E352 WeakPolarHBondContact OG-CG 3.48Å; S349-E352 PolarHBondContact OG-N 3.4Å; E352-Y354 HydrophobicContact CB-CD2 3.7Å; E352-Y354 HydrophobicContact CB-CE2 4.19Å; E352-Y354 VanDerWaalsContact O-CD2 3.22Å; E352-Y354 WeakPolarHBondContact O-CD2 3.32Å; E352-Y354 WeakPolarHBondContact O-CE2 3.48Å |
| 353 | G | 86.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 35.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q16 F17 S349 | Q16-G353 CarbonylContact C-O 3.55Å; Q16-G353 WeakPolarHBondContact CA-O 3.44Å; F17-G353 PolarHBondContact N-O 2.9Å; F17-G353 WeakPolarHBondContact O-CA 3.41Å; F17-G353 VanDerWaalsContact O-O 3.12Å; S349-G353 PolarHBondContact O-N 3.17Å |
| 354 | Y | 88.6 | Confident | 89 | Confident | 19 Ų | 19 | 27 Ų | 27 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.3 | -179.5 | -65.1 | -83.2 | 0 | 0 | 0 | 112.2 | P14 Q16 F17 I316 S349 E352 W356 | P14-Y354 HydrophobicContact CB-CD1 4.26Å; P14-Y354 HydrophobicContact CG-CD1 4.02Å; Q16-Y354 HydrophobicContact CB-CD1 4.15Å; Q16-Y354 HydrophobicContact CB-CE1 3.95Å; Q16-Y354 HydrophobicContact CG-CD1 4.19Å; Q16-Y354 HydrophobicContact CG-CE1 3.66Å; Q16-Y354 PolarHBondContact NE2-OH 2.76Å; F17-Y354 VanDerWaalsContact CE1-C 3.43Å; I316-Y354 HydrophobicContact CD1-CD2 4.22Å; I316-Y354 HydrophobicContact CD1-CE2 4.04Å; I316-Y354 HydrophobicContact CG2-CD2 4.44Å; I316-Y354 HydrophobicContact CG2-CE1 3.74Å; I316-Y354 HydrophobicContact CG2-CE2 3.59Å; I316-Y354 WeakPolarHBondContact CG2-OH 3.43Å; S349-Y354 PolarHBondContact N-O 3.36Å; S349-Y354 PolarHBondContact O-N 2.74Å; E352-Y354 HydrophobicContact CB-CD2 3.7Å; E352-Y354 HydrophobicContact CB-CE2 4.19Å; E352-Y354 VanDerWaalsContact O-CD2 3.22Å; E352-Y354 WeakPolarHBondContact O-CD2 3.32Å; E352-Y354 WeakPolarHBondContact O-CE2 3.48Å; Y354-W356 HydrophobicContact CD1-CZ2 4.48Å; Y354-W356 HydrophobicContact CD2-CH2 4.24Å; Y354-W356 HydrophobicContact CD2-CZ2 4.16Å; Y354-W356 HydrophobicContact CG-CH2 4.06Å; Y354-W356 AromaticContact CG-CZ2 3.75Å; Y354-W356 HydrophobicContact CG-CZ2 3.75Å |
| 355 | Q | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.8 | 167 | 162 | 179.6 | -43.3 | 0 | 0 | 108.9 | P14 V15 F17 K33 V35 I346 I347 I348 Y357 | P14-Q355 WeakPolarHBondContact CA-O 3.35Å; P14-Q355 WeakPolarHBondContact CB-O 3.46Å; V15-Q355 HydrophobicContact CB-CB 4.15Å; V15-Q355 HydrophobicContact CB-CG 4.5Å; V15-Q355 PolarHBondContact N-O 3.4Å; V15-Q355 PolarHBondContact O-N 3.48Å; F17-Q355 HydrophobicContact CE1-CB 4.14Å; K33-Q355 PolarHBondContact O-NE2 2.64Å; V35-Q355 HydrophobicContact CG2-CB 4.32Å; I346-Q355 HydrophobicContact CG2-CG 3.97Å; I347-Q355 WeakPolarHBondContact O-CA 3.39Å; I348-Q355 HydrophobicContact CG1-CB 4.16Å; I348-Q355 HydrophobicContact CG1-CG 4.18Å; Q355-Y357 PolarHBondContact NE2-OH 3.26Å |
| 356 | W | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 152.2 | 176.8 | -60 | -89.4 | 0 | 0 | 0 | 111.1 | L10 P14 Y314 I316 I347 Y354 | L10-W356 HydrophobicContact CB-CB 4.06Å; L10-W356 HydrophobicContact CB-CG 4.01Å; L10-W356 HydrophobicContact CD1-CB 4.3Å; L10-W356 HydrophobicContact CD1-CD2 3.96Å; L10-W356 HydrophobicContact CD1-CG 3.84Å; L10-W356 HydrophobicContact CD2-CB 3.96Å; L10-W356 HydrophobicContact CD2-CG 4.39Å; L10-W356 HydrophobicContact CG-CB 4.32Å; L10-W356 HydrophobicContact CG-CG 4.29Å; P14-W356 HydrophobicContact CB-CG 4.2Å; Y314-W356 HydrophobicContact CD1-CZ2 4.49Å; Y314-W356 AromaticContact CD1-NE1 3.66Å; Y314-W356 AromaticContact CE1-NE1 3.36Å; Y314-W356 AromaticContact CZ-NE1 3.74Å; I316-W356 HydrophobicContact CD1-CZ2 4.45Å; I347-W356 HydrophobicContact CG2-CE3 4.44Å; I347-W356 PolarHBondContact N-O 3.36Å; I347-W356 PolarHBondContact O-N 2.84Å; Y354-W356 HydrophobicContact CD1-CZ2 4.48Å; Y354-W356 HydrophobicContact CD2-CH2 4.24Å; Y354-W356 HydrophobicContact CD2-CZ2 4.16Å; Y354-W356 HydrophobicContact CG-CH2 4.06Å; Y354-W356 AromaticContact CG-CZ2 3.75Å; Y354-W356 HydrophobicContact CG-CZ2 3.75Å |
| 357 | Y | 92.3 | Very high | 87.8 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.3 | 164.4 | -63 | -83.7 | 0 | 0 | 0 | 108.9 | C11 P51 D345 I346 Q355 | C11-Y357 PolarHBondContact N-O 3.39Å; C11-Y357 PolarHBondContact SG-N 3.43Å; P51-Y357 HydrophobicContact CB-CE2 4.25Å; P51-Y357 WeakPolarHBondContact CB-OH 3.29Å; D345-Y357 CarbonylContact O-C 3.59Å; D345-Y357 WeakPolarHBondContact O-CA 3.39Å; I346-Y357 HydrophobicContact CD1-CE1 3.98Å; I346-Y357 HydrophobicContact CG1-CD1 3.94Å; I346-Y357 HydrophobicContact CG1-CE1 3.72Å; Q355-Y357 PolarHBondContact NE2-OH 3.26Å |
| 358 | L | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.8 | 177.2 | -174.5 | 68.1 | 0 | 0 | 0 | 109.6 | L8 L10 N269 V271 V276 I311 D345 I347 | L8-L358 HydrophobicContact CB-CD1 4.32Å; L8-L358 HydrophobicContact CD2-CD1 4.34Å; L8-L358 HydrophobicContact CD2-CD2 4.36Å; L8-L358 HydrophobicContact CD2-CG 4.26Å; L10-L358 HydrophobicContact CD2-CD1 4.14Å; N269-L358 HydrophobicContact CB-CD2 4.02Å; V271-L358 VanDerWaalsContact CG1-O 3.23Å; V271-L358 WeakPolarHBondContact CG1-O 3.31Å; V271-L358 HydrophobicContact CG2-CB 3.95Å; V271-L358 HydrophobicContact CG2-CD2 3.63Å; V271-L358 HydrophobicContact CG2-CG 3.84Å; V276-L358 HydrophobicContact CB-CD2 4.42Å; V276-L358 HydrophobicContact CG1-CD2 4.2Å; V276-L358 HydrophobicContact CG2-CD2 4.43Å; I311-L358 HydrophobicContact CD1-CD1 4.07Å; I311-L358 HydrophobicContact CG1-CD1 4.11Å; I311-L358 HydrophobicContact CG2-CD1 4.43Å; D345-L358 PolarHBondContact O-N 2.86Å; I347-L358 HydrophobicContact CD1-CB 4.45Å; I347-L358 HydrophobicContact CD1-CD1 4.41Å |
| 359 | Q | 92.1 | Very high | 87 | Confident | 88 Ų | 88 | 32.1 Ų | 32.1 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.6 | -178 | -65.9 | -178.4 | -22.9 | 0 | 0 | 111.2 | L8 E9 | L8-Q359 WeakPolarHBondContact CA-O 3.41Å; E9-Q359 HydrophobicContact CG-CB 4Å; E9-Q359 PolarHBondContact N-O 2.95Å; E9-Q359 PolarHBondContact O-N 3.37Å |
| 360 | V | 90.4 | Very high | 86.5 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.2 | 178.4 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | Y7 L8 V271 L274 L362 | Y7-V360 CarbonylContact O-C 3.59Å; Y7-V360 WeakPolarHBondContact O-CA 3.44Å; L8-V360 HydrophobicContact CD2-CG2 3.93Å; V271-V360 HydrophobicContact CB-CG2 4.11Å; V271-V360 HydrophobicContact CG1-CG2 3.75Å; L274-V360 HydrophobicContact CD1-CG1 4.5Å; L274-V360 HydrophobicContact CD1-CG2 4.21Å; V360-L362 HydrophobicContact CG1-CD2 4.13Å |
| 361 | K | 89.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | trans | -85.5 | 115.4 | 169.7 | -71.2 | -167.9 | 179.8 | -179.9 | 0 | 110.2 | Y7 E9 P364 | Y7-K361 PolarHBondContact O-N 3.44Å; E9-K361 HydrophobicContact CG-CG 4.3Å; E9-K361 WeakPolarHBondContact OE1-CE 2.97Å; E9-K361 WeakPolarHBondContact OE1-CG 3.37Å; E9-K361 IonicContact OE1-NZ 2.67Å; E9-K361 WeakPolarHBondContact OE2-CE 3.2Å; E9-K361 IonicContact OE2-NZ 3.88Å; E9-K361 PolarHBondContact OE2-NZ 2.91Å; K361-P364 HydrophobicContact CB-CG 4.2Å | ||
| 362 | L | 86.5 | Confident | 86.4 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -75.4 | -38.3 | 177.2 | -60.3 | -176.2 | 0 | 0 | 0 | 114.9 | V360 T365 F378 L379 R382 R383 C385 V388 | V360-L362 HydrophobicContact CG1-CD2 4.13Å; L362-T365 WeakPolarHBondContact O-CB 3.08Å; L362-T365 PolarHBondContact O-N 3.36Å; L362-T365 PolarHBondContact O-OG1 3.4Å; L362-F378 HydrophobicContact CD2-CE1 4.3Å; L362-L379 HydrophobicContact CB-CD2 4.23Å; L362-L379 HydrophobicContact CD1-CD2 4.23Å; L362-L379 HydrophobicContact CD2-CD2 4.06Å; L362-L379 HydrophobicContact CG-CD2 4.41Å; L362-R382 HydrophobicContact CD1-CB 3.91Å; L362-R382 HydrophobicContact CD2-CB 3.89Å; L362-R382 HydrophobicContact CD2-CG 3.77Å; L362-R383 WeakPolarHBondContact CD1-O 3.44Å; L362-C385 HydrophobicContact CD1-CB 3.63Å; L362-V388 HydrophobicContact CB-CB 4.4Å; L362-V388 HydrophobicContact CB-CG1 4.18Å; L362-V388 HydrophobicContact CB-CG2 3.93Å |
| 363 | P | 85.6 | Confident | 86.4 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 55% | 0.545 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -43.1 | -174.9 | -22.7 | 31.2 | 0 | 0 | 0 | 114.9 | T365 V366 V388 | P363-T365 PolarHBondContact O-N 3.19Å; P363-V366 WeakPolarHBondContact O-CB 3.33Å; P363-V366 WeakPolarHBondContact O-CG2 3.5Å; P363-V366 PolarHBondContact O-N 3.41Å; P363-V388 HydrophobicContact CG-CG2 4.3Å |
| 364 | P | 84.1 | Confident | 86.4 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.8 | 175.6 | -28.7 | 40 | 0 | 0 | 0 | 114.4 | E4 Y6 K361 V366 N367 L368 | E4-P364 WeakPolarHBondContact O-CB 3.39Å; Y6-P364 WeakPolarHBondContact O-CG 3.24Å; K361-P364 HydrophobicContact CB-CG 4.2Å; P364-V366 PolarHBondContact O-N 3Å; P364-N367 PolarHBondContact O-N 2.94Å; P364-L368 WeakPolarHBondContact O-CG 3.18Å; P364-L368 PolarHBondContact O-N 3.28Å |
| 365 | T | 82.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -24.5 | -177.5 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | L306 L362 P363 N367 L368 L369 F378 | L306-T365 HydrophobicContact CD1-CG2 3.81Å; L362-T365 WeakPolarHBondContact O-CB 3.08Å; L362-T365 PolarHBondContact O-N 3.36Å; L362-T365 PolarHBondContact O-OG1 3.4Å; P363-T365 PolarHBondContact O-N 3.19Å; T365-N367 VanDerWaalsContact C-N 3.27Å; T365-N367 PolarHBondContact O-N 3.42Å; T365-L368 PolarHBondContact O-N 3.42Å; T365-L369 PolarHBondContact O-N 3.01Å; T365-F378 HydrophobicContact CG2-CE1 4.29Å |
| 366 | V | 83.5 | Confident | 86.2 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -34.1 | 179.5 | 180 | 0 | 0 | 0 | 0 | 112.6 | P363 P364 K372 L375 V388 V392 | P363-V366 WeakPolarHBondContact O-CB 3.33Å; P363-V366 WeakPolarHBondContact O-CG2 3.5Å; P363-V366 PolarHBondContact O-N 3.41Å; P364-V366 PolarHBondContact O-N 3Å; V366-K372 PolarHBondContact O-NZ 3.13Å; V366-L375 HydrophobicContact CG1-CD2 4.34Å; V366-V388 HydrophobicContact CG2-CG1 3.86Å; V366-V392 HydrophobicContact CB-CG2 4.2Å; V366-V392 HydrophobicContact CG1-CG2 3.74Å; V366-V392 HydrophobicContact CG2-CG2 3.42Å; V366-V392 VanDerWaalsContact CG2-CG2 3.42Å |
| 367 | N | 82.5 | Confident | 86 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -89.1 | -27.7 | 180 | -66.2 | -18.6 | 0 | 0 | 0 | 112.1 | P364 T365 | P364-N367 PolarHBondContact O-N 2.94Å; T365-N367 VanDerWaalsContact C-N 3.27Å; T365-N367 PolarHBondContact O-N 3.42Å |
| 368 | L | 82.9 | Confident | 85.9 | Confident | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -82.6 | -30.4 | -177.1 | -66.5 | 171.2 | 0 | 0 | 0 | 112.9 | Y7 L306 P307 P364 T365 | Y7-L368 HydrophobicContact CD1-CD1 3.6Å; Y7-L368 HydrophobicContact CE1-CD1 4.25Å; L306-L368 HydrophobicContact CD2-CB 3.78Å; L306-L368 HydrophobicContact CD2-CD1 4.42Å; P307-L368 HydrophobicContact CG-CD2 4.44Å; P364-L368 WeakPolarHBondContact O-CG 3.18Å; P364-L368 PolarHBondContact O-N 3.28Å; T365-L368 PolarHBondContact O-N 3.42Å |
| 369 | L | 82.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | trans | -97.8 | 105.3 | 174.4 | -74 | 165.8 | 0 | 0 | 0 | 110.4 | V305 L306 T365 L375 F378 | V305-L369 HydrophobicContact CG1-CD1 4.24Å; V305-L369 HydrophobicContact CG1-CD2 4.23Å; V305-L369 VanDerWaalsContact O-CD2 3.31Å; V305-L369 WeakPolarHBondContact O-CD2 3.43Å; L306-L369 HydrophobicContact CD2-CD1 3.93Å; L306-L369 HydrophobicContact CD2-CD2 4.19Å; L306-L369 HydrophobicContact CD2-CG 3.62Å; T365-L369 PolarHBondContact O-N 3.01Å; L369-L375 HydrophobicContact CB-CB 4.15Å; L369-L375 HydrophobicContact CB-CD1 4.07Å; L369-L375 HydrophobicContact CD1-CB 4.45Å; L369-L375 HydrophobicContact CD1-CD1 3.74Å; L369-F378 HydrophobicContact CD1-CD1 4.35Å; L369-F378 HydrophobicContact CD1-CG 4.45Å | ||
| 370 | Q | 79.9 | Confident | 85.4 | Confident | 181 Ų | 181 | 40.1 Ų | 40.1 | 85% | 0.846 | 21% | 0.206 | S | C | * | . | trans | -70.4 | -37 | 178.5 | -64.8 | -177.4 | -9.8 | 0 | 0 | 112.3 | K372 | Q370-K372 PolarHBondContact O-N 2.92Å; Q370-K372 VanDerWaalsContact O-N 3.1Å | ||
| 371 | D | 84 | Confident | 85.1 | Confident | 72 Ų | 72 | 43.3 Ų | 43.3 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | trans | -74.4 | 100.8 | 178.8 | -174.7 | -20.3 | 0 | 0 | 0 | 110.3 | G373 K374 L375 | D371-G373 VanDerWaalsContact C-N 3.26Å; D371-G373 PolarHBondContact O-N 2.84Å; D371-G373 PolarHBondContact OD1-N 3.5Å; D371-K374 HydrophobicContact CB-CB 4.22Å; D371-K374 HydrophobicContact CB-CD 4.25Å; D371-K374 HydrophobicContact CB-CG 4.41Å; D371-K374 PolarHBondContact O-N 2.99Å; D371-K374 PolarHBondContact OD1-N 3.14Å; D371-K374 WeakPolarHBondContact OD2-CD 3.48Å; D371-K374 WeakPolarHBondContact OD2-CE 3.5Å; D371-K374 WeakPolarHBondContact OD2-CG 3.32Å; D371-K374 IonicContact OD2-NZ 3.49Å; D371-K374 PolarHBondContact OD2-NZ 3.23Å; D371-K374 VanDerWaalsContact OD2-NZ 3.11Å; D371-L375 WeakPolarHBondContact O-CB 3.32Å; D371-L375 PolarHBondContact O-N 2.92Å | ||
| 372 | K | 82.7 | Confident | 85.1 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.4 | -30.7 | -178.9 | -60.1 | -59.1 | -179.1 | -172.5 | 0 | 112.7 | V366 Q370 L375 I376 M396 V407 | V366-K372 PolarHBondContact O-NZ 3.13Å; Q370-K372 PolarHBondContact O-N 2.92Å; Q370-K372 VanDerWaalsContact O-N 3.1Å; K372-L375 HydrophobicContact CD-CD2 4.01Å; K372-L375 PolarHBondContact O-N 3.27Å; K372-I376 WeakPolarHBondContact O-CG1 3.44Å; K372-I376 PolarHBondContact O-N 3.45Å; K372-M396 HydrophobicContact CB-CE 4.03Å; K372-M396 HydrophobicContact CB-SD 3.87Å; K372-M396 HydrophobicContact CD-CG 4.26Å; K372-M396 HydrophobicContact CD-SD 4.21Å; K372-M396 HydrophobicContact CG-CE 4.24Å; K372-M396 HydrophobicContact CG-CG 4.24Å; K372-M396 HydrophobicContact CG-SD 3.94Å; K372-V407 HydrophobicContact CB-CG1 4.04Å |
| 373 | G | 83.6 | Confident | 84.8 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D371 D377 K414 | D371-G373 VanDerWaalsContact C-N 3.26Å; D371-G373 PolarHBondContact O-N 2.84Å; D371-G373 PolarHBondContact OD1-N 3.5Å; G373-D377 PolarHBondContact O-N 3Å; G373-K414 PolarHBondContact O-NZ 3.23Å |
| 374 | K | 85.2 | Confident | 84.5 | Confident | 110 Ų | 110 | 49.3 Ų | 49.3 | 48% | 0.478 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -71.3 | -34.7 | 175.2 | -69.9 | 177.3 | -170.2 | 146.3 | 0 | 112.8 | L292 D371 I376 D377 F378 | L292-K374 HydrophobicContact CD1-CB 4.49Å; D371-K374 HydrophobicContact CB-CB 4.22Å; D371-K374 HydrophobicContact CB-CD 4.25Å; D371-K374 HydrophobicContact CB-CG 4.41Å; D371-K374 PolarHBondContact O-N 2.99Å; D371-K374 PolarHBondContact OD1-N 3.14Å; D371-K374 WeakPolarHBondContact OD2-CD 3.48Å; D371-K374 WeakPolarHBondContact OD2-CE 3.5Å; D371-K374 WeakPolarHBondContact OD2-CG 3.32Å; D371-K374 IonicContact OD2-NZ 3.49Å; D371-K374 PolarHBondContact OD2-NZ 3.23Å; D371-K374 VanDerWaalsContact OD2-NZ 3.11Å; K374-I376 VanDerWaalsContact C-N 3.29Å; K374-I376 PolarHBondContact O-N 2.9Å; K374-D377 PolarHBondContact O-N 3.3Å; K374-F378 WeakPolarHBondContact O-CB 3.38Å; K374-F378 PolarHBondContact O-N 3.25Å |
| 375 | L | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 174.2 | 174.2 | 63 | 0 | 0 | 0 | 110.7 | V366 L369 D371 K372 F378 L379 V392 | V366-L375 HydrophobicContact CG1-CD2 4.34Å; L369-L375 HydrophobicContact CB-CB 4.15Å; L369-L375 HydrophobicContact CB-CD1 4.07Å; L369-L375 HydrophobicContact CD1-CB 4.45Å; L369-L375 HydrophobicContact CD1-CD1 3.74Å; D371-L375 WeakPolarHBondContact O-CB 3.32Å; D371-L375 PolarHBondContact O-N 2.92Å; K372-L375 HydrophobicContact CD-CD2 4.01Å; K372-L375 PolarHBondContact O-N 3.27Å; L375-F378 WeakPolarHBondContact O-CB 2.89Å; L375-F378 PolarHBondContact O-N 3.3Å; L375-L379 HydrophobicContact CD1-CD1 3.84Å; L375-L379 HydrophobicContact CD1-CG 3.94Å; L375-L379 HydrophobicContact CG-CD1 3.9Å; L375-L379 HydrophobicContact CG-CG 4.34Å; L375-L379 WeakPolarHBondContact O-CB 3.2Å; L375-L379 VanDerWaalsContact O-CG 3.25Å; L375-L379 WeakPolarHBondContact O-CG 3.33Å; L375-L379 PolarHBondContact O-N 3.4Å; L375-V392 HydrophobicContact CD2-CG1 4Å; L375-V392 HydrophobicContact CD2-CG2 4.12Å |
| 376 | I | 87.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 177 | -66.7 | -62.6 | 0 | 0 | 0 | 111.5 | K372 K374 F378 L379 L380 I389 V392 V411 K414 L415 | K372-I376 WeakPolarHBondContact O-CG1 3.44Å; K372-I376 PolarHBondContact O-N 3.45Å; K374-I376 VanDerWaalsContact C-N 3.29Å; K374-I376 PolarHBondContact O-N 2.9Å; I376-F378 PolarHBondContact O-N 3.38Å; I376-L379 PolarHBondContact O-N 2.79Å; I376-L380 HydrophobicContact CG2-CD1 3.55Å; I376-L380 HydrophobicContact CG2-CG 3.97Å; I376-L380 WeakPolarHBondContact O-CB 3.27Å; I376-L380 WeakPolarHBondContact O-CD1 3.11Å; I376-L380 WeakPolarHBondContact O-CG 3.4Å; I376-L380 PolarHBondContact O-N 3.4Å; I376-I389 HydrophobicContact CD1-CG2 3.95Å; I376-V392 HydrophobicContact CD1-CG1 4.21Å; I376-V411 HydrophobicContact CD1-CG1 4.19Å; I376-V411 HydrophobicContact CG1-CB 4.44Å; I376-V411 HydrophobicContact CG1-CG1 3.85Å; I376-V411 HydrophobicContact CG1-CG2 3.86Å; I376-K414 HydrophobicContact CG2-CB 4.3Å; I376-K414 HydrophobicContact CG2-CD 4.42Å; I376-L415 HydrophobicContact CG2-CD2 4.04Å |
| 377 | D | 87.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 174.4 | -66.1 | -30.1 | 0 | 0 | 0 | 112.5 | L292 G373 K374 K414 | L292-D377 HydrophobicContact CD1-CB 3.98Å; G373-D377 PolarHBondContact O-N 3Å; K374-D377 PolarHBondContact O-N 3.3Å; D377-K414 VanDerWaalsContact OD1-CD 3.3Å; D377-K414 WeakPolarHBondContact OD1-CD 3.5Å; D377-K414 WeakPolarHBondContact OD1-CE 3.19Å; D377-K414 IonicContact OD1-NZ 3.56Å; D377-K414 PolarHBondContact OD1-NZ 3.24Å; D377-K414 IonicContact OD2-NZ 2.73Å; D377-K414 PolarHBondContact OD2-NZ 2.98Å |
| 378 | F | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -52.3 | 175.7 | 174.6 | -96.5 | 0 | 0 | 0 | 110.9 | L274 L292 V305 L362 T365 L369 K374 L375 I376 R381 R382 | L274-F378 HydrophobicContact CD1-CE2 3.82Å; L274-F378 HydrophobicContact CD1-CZ 3.77Å; L274-F378 HydrophobicContact CD2-CD2 4.48Å; L274-F378 HydrophobicContact CD2-CE2 3.7Å; L274-F378 HydrophobicContact CD2-CZ 4.49Å; L274-F378 HydrophobicContact CG-CE2 4.39Å; L292-F378 HydrophobicContact CD1-CB 3.99Å; V305-F378 HydrophobicContact CG1-CD2 3.9Å; V305-F378 HydrophobicContact CG1-CE2 4.03Å; L362-F378 HydrophobicContact CD2-CE1 4.3Å; T365-F378 HydrophobicContact CG2-CE1 4.29Å; L369-F378 HydrophobicContact CD1-CD1 4.35Å; L369-F378 HydrophobicContact CD1-CG 4.45Å; K374-F378 WeakPolarHBondContact O-CB 3.38Å; K374-F378 PolarHBondContact O-N 3.25Å; L375-F378 WeakPolarHBondContact O-CB 2.89Å; L375-F378 PolarHBondContact O-N 3.3Å; I376-F378 PolarHBondContact O-N 3.38Å; F378-R381 PolarHBondContact O-N 3.14Å; F378-R382 HydrophobicContact CD1-CG 4.39Å; F378-R382 HydrophobicContact CE1-CG 4.09Å; F378-R382 HydrophobicContact CZ-CG 4.39Å; F378-R382 WeakPolarHBondContact O-CG 3.42Å; F378-R382 PolarHBondContact O-NE 2.86Å |
| 379 | L | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | -176.1 | -71.8 | 176.2 | 0 | 0 | 0 | 112.6 | L362 L375 I376 R381 R382 C385 V388 I389 V392 | L362-L379 HydrophobicContact CB-CD2 4.23Å; L362-L379 HydrophobicContact CD1-CD2 4.23Å; L362-L379 HydrophobicContact CD2-CD2 4.06Å; L362-L379 HydrophobicContact CG-CD2 4.41Å; L375-L379 HydrophobicContact CD1-CD1 3.84Å; L375-L379 HydrophobicContact CD1-CG 3.94Å; L375-L379 HydrophobicContact CG-CD1 3.9Å; L375-L379 HydrophobicContact CG-CG 4.34Å; L375-L379 WeakPolarHBondContact O-CB 3.2Å; L375-L379 VanDerWaalsContact O-CG 3.25Å; L375-L379 WeakPolarHBondContact O-CG 3.33Å; L375-L379 PolarHBondContact O-N 3.4Å; I376-L379 PolarHBondContact O-N 2.79Å; L379-R381 PolarHBondContact O-N 3.39Å; L379-R382 PolarHBondContact O-N 3.3Å; L379-C385 VanDerWaalsContact O-CB 3.29Å; L379-C385 WeakPolarHBondContact O-CB 3.12Å; L379-C385 PolarHBondContact O-SG 3.38Å; L379-V388 HydrophobicContact CD1-CG1 4.23Å; L379-V388 HydrophobicContact CD2-CG1 4.25Å; L379-I389 HydrophobicContact CB-CD1 4.15Å; L379-I389 HydrophobicContact CB-CG1 3.8Å; L379-I389 HydrophobicContact CD1-CG1 4.01Å; L379-V392 HydrophobicContact CD1-CG2 4.07Å |
| 380 | L | 86.8 | Confident | 85.4 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.3 | 179.2 | -76.3 | 167.4 | 0 | 0 | 0 | 113.3 | I376 I389 K414 L415 V418 A452 | I376-L380 HydrophobicContact CG2-CD1 3.55Å; I376-L380 HydrophobicContact CG2-CG 3.97Å; I376-L380 WeakPolarHBondContact O-CB 3.27Å; I376-L380 WeakPolarHBondContact O-CD1 3.11Å; I376-L380 WeakPolarHBondContact O-CG 3.4Å; I376-L380 PolarHBondContact O-N 3.4Å; L380-I389 HydrophobicContact CD2-CD1 4.16Å; L380-K414 HydrophobicContact CD1-CB 4.2Å; L380-L415 HydrophobicContact CD1-CD2 4.46Å; L380-L415 HydrophobicContact CD2-CD2 3.67Å; L380-L415 HydrophobicContact CG-CD2 4.35Å; L380-V418 HydrophobicContact CD1-CG2 4.08Å; L380-V418 HydrophobicContact CD2-CB 4.38Å; L380-V418 HydrophobicContact CD2-CG1 4.46Å; L380-V418 HydrophobicContact CD2-CG2 4.08Å; L380-A452 HydrophobicContact CD2-CB 4.24Å; L380-A452 WeakPolarHBondContact O-CB 3.3Å |
| 381 | R | 85.9 | Confident | 85.7 | Confident | 92 Ų | 92 | 43.4 Ų | 43.4 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 5.6 | -178.7 | -61.2 | 176.2 | -170.8 | -171.4 | 4.5 | 113.3 | Y219 K291 F378 L379 | Y219-R381 HydrophobicContact CE1-CB 4.25Å; K291-R381 VanDerWaalsContact CG-NH1 3.28Å; K291-R381 PolarHBondContact O-NH1 3.03Å; F378-R381 PolarHBondContact O-N 3.14Å; L379-R381 PolarHBondContact O-N 3.39Å |
| 382 | R | 87.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 40 Ų | 40 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -103.5 | 154.9 | -177.4 | -55.1 | -61.1 | 149.1 | -122.8 | -15.9 | 113 | Y219 D272 L274 D289 L362 F378 L379 C385 | Y219-R382 PolarHBondContact OH-NH1 2.96Å; Y219-R382 PolarHBondContact OH-NH2 3.33Å; D272-R382 PolarHBondContact O-NH1 3.42Å; D272-R382 WeakPolarHBondContact OD2-CA 3.3Å; D272-R382 WeakPolarHBondContact OD2-CB 3.3Å; D272-R382 VanDerWaalsContact OD2-CD 3.32Å; D272-R382 WeakPolarHBondContact OD2-CD 3.41Å; L274-R382 VanDerWaalsContact CD2-CZ 3.43Å; D289-R382 VanDerWaalsContact CG-NH2 3.33Å; D289-R382 IonicContact OD1-NH2 2.74Å; D289-R382 IonicContact OD2-CZ 3.57Å; D289-R382 IonicContact OD2-NH2 3.48Å; D289-R382 PolarHBondContact OD2-NH2 3.33Å; L362-R382 HydrophobicContact CD1-CB 3.91Å; L362-R382 HydrophobicContact CD2-CB 3.89Å; L362-R382 HydrophobicContact CD2-CG 3.77Å; F378-R382 HydrophobicContact CD1-CG 4.39Å; F378-R382 HydrophobicContact CE1-CG 4.09Å; F378-R382 HydrophobicContact CZ-CG 4.39Å; F378-R382 WeakPolarHBondContact O-CG 3.42Å; F378-R382 PolarHBondContact O-NE 2.86Å; L379-R382 PolarHBondContact O-N 3.3Å; R382-C385 HydrophobicContact CB-CB 4.28Å; R382-C385 PolarHBondContact O-SG 2.9Å |
| 383 | R | 81 | Confident | 86.1 | Confident | 144 Ų | 144 | 37.4 Ų | 37.4 | 54% | 0.543 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 144.9 | 169.2 | -66.9 | 169.7 | -170.9 | -163.1 | 1.6 | 110.5 | D272 L362 C385 Q451 | D272-R383 VanDerWaalsContact OD1-CG 3.31Å; D272-R383 WeakPolarHBondContact OD1-CG 3.33Å; D272-R383 IonicContact OD1-NE 3.71Å; D272-R383 PolarHBondContact OD1-NE 3.34Å; D272-R383 PolarHBondContact OD2-N 3.01Å; L362-R383 WeakPolarHBondContact CD1-O 3.44Å; R383-C385 VanDerWaalsContact C-N 3.26Å; R383-C385 PolarHBondContact O-N 2.91Å; R383-C385 VanDerWaalsContact O-N 3.15Å; R383-Q451 VanDerWaalsContact CA-CD 3.46Å; R383-Q451 VanDerWaalsContact CA-OE1 3.27Å; R383-Q451 VanDerWaalsContact CG-OE1 3.24Å |
| 384 | D | 78.8 | Confident | 86.2 | Confident | 119 Ų | 119 | 38.4 Ų | 38.4 | 64% | 0.636 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 35.5 | 175.2 | -51.7 | -42.8 | 0 | 0 | 0 | 115.6 | Q451 | D384-Q451 VanDerWaalsContact N-CD 3.32Å; D384-Q451 PolarHBondContact OD1-NE2 3.4Å |
| 385 | C | 84.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -88 | -16.3 | -173.3 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | L362 L379 R382 R383 M387 V388 I389 Q451 A452 | L362-C385 HydrophobicContact CD1-CB 3.63Å; L379-C385 VanDerWaalsContact O-CB 3.29Å; L379-C385 WeakPolarHBondContact O-CB 3.12Å; L379-C385 PolarHBondContact O-SG 3.38Å; R382-C385 HydrophobicContact CB-CB 4.28Å; R382-C385 PolarHBondContact O-SG 2.9Å; R383-C385 VanDerWaalsContact C-N 3.26Å; R383-C385 PolarHBondContact O-N 2.91Å; R383-C385 VanDerWaalsContact O-N 3.15Å; C385-M387 PolarHBondContact O-N 3.25Å; C385-V388 CarbonylContact O-C 3.57Å; C385-V388 WeakPolarHBondContact O-CA 3.39Å; C385-V388 WeakPolarHBondContact O-CB 3.43Å; C385-V388 PolarHBondContact O-N 3.49Å; C385-I389 HydrophobicContact CB-CD1 4.07Å; C385-I389 HydrophobicContact CB-CG1 4.37Å; C385-I389 WeakPolarHBondContact O-CG1 3.37Å; C385-I389 PolarHBondContact O-N 3.39Å; C385-Q451 PolarHBondContact N-O 2.64Å; C385-Q451 PolarHBondContact SG-O 2.8Å; C385-A452 WeakPolarHBondContact SG-CA 3.45Å; C385-A452 WeakPolarHBondContact SG-CB 2.68Å | ||
| 386 | K | 86 | Confident | 85.9 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -46.5 | -55.6 | -175.7 | 177.2 | 172.2 | 169.2 | 170 | 0 | 114.1 | V388 I389 L390 Q451 D458 | K386-V388 VanDerWaalsContact C-N 3.3Å; K386-V388 PolarHBondContact O-N 3.01Å; K386-I389 PolarHBondContact O-N 2.93Å; K386-L390 HydrophobicContact CG-CD1 4.15Å; K386-L390 VanDerWaalsContact O-CG 3.31Å; K386-L390 WeakPolarHBondContact O-CG 3.45Å; K386-L390 PolarHBondContact O-N 3Å; K386-Q451 WeakPolarHBondContact CB-O 2.92Å; K386-Q451 PolarHBondContact N-O 3.34Å; K386-D458 WeakPolarHBondContact CE-OD1 3.36Å; K386-D458 WeakPolarHBondContact CE-OD2 3.39Å; K386-D458 IonicContact NZ-OD1 2.68Å; K386-D458 PolarHBondContact NZ-OD1 2.84Å; K386-D458 IonicContact NZ-OD2 3.95Å; K386-D458 PolarHBondContact NZ-OD2 2.59Å |
| 387 | M | 85.8 | Confident | 85.6 | Confident | 112 Ų | 112 | 38.2 Ų | 38.2 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -66.8 | -33.1 | -178.7 | -67.9 | -55.1 | -64.9 | 0 | 0 | 112.4 | C385 L390 S391 | C385-M387 PolarHBondContact O-N 3.25Å; M387-L390 HydrophobicContact SD-CD1 4.14Å; M387-S391 WeakPolarHBondContact O-CB 3.46Å; M387-S391 PolarHBondContact O-N 3.44Å |
| 388 | V | 86.3 | Confident | 85.1 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69 | -45.5 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | L362 P363 V366 L379 C385 K386 L390 S391 V392 | L362-V388 HydrophobicContact CB-CB 4.4Å; L362-V388 HydrophobicContact CB-CG1 4.18Å; L362-V388 HydrophobicContact CB-CG2 3.93Å; P363-V388 HydrophobicContact CG-CG2 4.3Å; V366-V388 HydrophobicContact CG2-CG1 3.86Å; L379-V388 HydrophobicContact CD1-CG1 4.23Å; L379-V388 HydrophobicContact CD2-CG1 4.25Å; C385-V388 CarbonylContact O-C 3.57Å; C385-V388 WeakPolarHBondContact O-CA 3.39Å; C385-V388 WeakPolarHBondContact O-CB 3.43Å; C385-V388 PolarHBondContact O-N 3.49Å; K386-V388 VanDerWaalsContact C-N 3.3Å; K386-V388 PolarHBondContact O-N 3.01Å; V388-L390 VanDerWaalsContact C-N 3.34Å; V388-L390 PolarHBondContact O-N 3.17Å; V388-S391 WeakPolarHBondContact O-CB 3.43Å; V388-S391 PolarHBondContact O-N 2.9Å; V388-S391 VanDerWaalsContact O-N 3.13Å; V388-S391 PolarHBondContact O-OG 3.48Å; V388-V392 HydrophobicContact CG1-CG2 4.5Å; V388-V392 VanDerWaalsContact O-CG2 3.29Å; V388-V392 WeakPolarHBondContact O-CG2 3.4Å; V388-V392 PolarHBondContact O-N 3.48Å |
| 389 | I | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 176 | -64.4 | 166.8 | 0 | 0 | 0 | 110.7 | I376 L379 L380 C385 K386 S391 V392 C393 L415 I454 | I376-I389 HydrophobicContact CD1-CG2 3.95Å; L379-I389 HydrophobicContact CB-CD1 4.15Å; L379-I389 HydrophobicContact CB-CG1 3.8Å; L379-I389 HydrophobicContact CD1-CG1 4.01Å; L380-I389 HydrophobicContact CD2-CD1 4.16Å; C385-I389 HydrophobicContact CB-CD1 4.07Å; C385-I389 HydrophobicContact CB-CG1 4.37Å; C385-I389 WeakPolarHBondContact O-CG1 3.37Å; C385-I389 PolarHBondContact O-N 3.39Å; K386-I389 PolarHBondContact O-N 2.93Å; I389-S391 VanDerWaalsContact C-N 3.3Å; I389-S391 PolarHBondContact O-N 3.37Å; I389-V392 WeakPolarHBondContact O-CB 2.95Å; I389-V392 PolarHBondContact O-N 3.14Å; I389-V392 VanDerWaalsContact O-N 3.12Å; I389-C393 PolarHBondContact O-N 2.8Å; I389-C393 PolarHBondContact O-SG 2.96Å; I389-C393 VanDerWaalsContact O-SG 3.4Å; I389-L415 HydrophobicContact CG2-CD1 4.18Å; I389-L415 HydrophobicContact CG2-CD2 3.78Å; I389-I454 HydrophobicContact CB-CD1 3.76Å; I389-I454 HydrophobicContact CD1-CD1 4.41Å; I389-I454 HydrophobicContact CG2-CD1 3.24Å |
| 390 | L | 86.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.9 | -68.3 | 169.1 | 0 | 0 | 0 | 111.8 | K386 M387 V388 C393 S394 I454 D458 H462 V463 | K386-L390 HydrophobicContact CG-CD1 4.15Å; K386-L390 VanDerWaalsContact O-CG 3.31Å; K386-L390 WeakPolarHBondContact O-CG 3.45Å; K386-L390 PolarHBondContact O-N 3Å; M387-L390 HydrophobicContact SD-CD1 4.14Å; V388-L390 VanDerWaalsContact C-N 3.34Å; V388-L390 PolarHBondContact O-N 3.17Å; L390-C393 PolarHBondContact O-N 3.2Å; L390-S394 WeakPolarHBondContact O-CB 3.41Å; L390-S394 PolarHBondContact O-N 3.31Å; L390-I454 HydrophobicContact CD2-CD1 4.22Å; L390-I454 HydrophobicContact CD2-CG2 3.96Å; L390-I454 HydrophobicContact CG-CD1 4.33Å; L390-D458 HydrophobicContact CD1-CB 4.32Å; L390-D458 HydrophobicContact CD2-CB 4.38Å; L390-H462 HydrophobicContact CB-CB 4.33Å; L390-H462 HydrophobicContact CD1-CB 4.14Å; L390-H462 HydrophobicContact CD2-CB 4.37Å; L390-V463 HydrophobicContact CB-CG2 4.4Å; L390-V463 HydrophobicContact CD2-CG2 3.9Å |
| 391 | S | 86.7 | Confident | 81.4 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 174.2 | 79.2 | 0 | 0 | 0 | 0 | 112.3 | M387 V388 I389 S394 Q395 | M387-S391 WeakPolarHBondContact O-CB 3.46Å; M387-S391 PolarHBondContact O-N 3.44Å; V388-S391 WeakPolarHBondContact O-CB 3.43Å; V388-S391 PolarHBondContact O-N 2.9Å; V388-S391 VanDerWaalsContact O-N 3.13Å; V388-S391 PolarHBondContact O-OG 3.48Å; I389-S391 VanDerWaalsContact C-N 3.3Å; I389-S391 PolarHBondContact O-N 3.37Å; S391-S394 PolarHBondContact O-N 3.34Å; S391-Q395 WeakPolarHBondContact O-CB 3.3Å; S391-Q395 VanDerWaalsContact O-CG 3.28Å; S391-Q395 WeakPolarHBondContact O-CG 3.35Å; S391-Q395 PolarHBondContact O-N 2.99Å |
| 392 | V | 86.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | V366 L375 I376 L379 V388 I389 S394 Q395 M396 | V366-V392 HydrophobicContact CB-CG2 4.2Å; V366-V392 HydrophobicContact CG1-CG2 3.74Å; V366-V392 HydrophobicContact CG2-CG2 3.42Å; V366-V392 VanDerWaalsContact CG2-CG2 3.42Å; L375-V392 HydrophobicContact CD2-CG1 4Å; L375-V392 HydrophobicContact CD2-CG2 4.12Å; I376-V392 HydrophobicContact CD1-CG1 4.21Å; L379-V392 HydrophobicContact CD1-CG2 4.07Å; V388-V392 HydrophobicContact CG1-CG2 4.5Å; V388-V392 VanDerWaalsContact O-CG2 3.29Å; V388-V392 WeakPolarHBondContact O-CG2 3.4Å; V388-V392 PolarHBondContact O-N 3.48Å; I389-V392 WeakPolarHBondContact O-CB 2.95Å; I389-V392 PolarHBondContact O-N 3.14Å; I389-V392 VanDerWaalsContact O-N 3.12Å; V392-S394 VanDerWaalsContact C-N 3.32Å; V392-S394 PolarHBondContact O-N 3.49Å; V392-Q395 PolarHBondContact O-N 3.09Å; V392-M396 HydrophobicContact CG1-CG 4.33Å; V392-M396 HydrophobicContact CG1-SD 4.01Å; V392-M396 WeakPolarHBondContact O-CB 3.37Å; V392-M396 VanDerWaalsContact O-CG 3.29Å; V392-M396 WeakPolarHBondContact O-CG 3.17Å; V392-M396 PolarHBondContact O-N 3.2Å |
| 393 | C | 87.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 176.1 | -68.1 | 0 | 0 | 0 | 0 | 111.2 | I389 L390 M396 L397 V463 | I389-C393 PolarHBondContact O-N 2.8Å; I389-C393 PolarHBondContact O-SG 2.96Å; I389-C393 VanDerWaalsContact O-SG 3.4Å; L390-C393 PolarHBondContact O-N 3.2Å; C393-M396 PolarHBondContact O-N 2.96Å; C393-L397 WeakPolarHBondContact O-CG 3.37Å; C393-L397 PolarHBondContact O-N 2.97Å; C393-V463 HydrophobicContact CB-CG1 4.02Å; C393-V463 HydrophobicContact CB-CG2 3.91Å |
| 394 | S | 85.4 | Confident | 79.5 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | L390 S391 V392 L397 N398 | L390-S394 WeakPolarHBondContact O-CB 3.41Å; L390-S394 PolarHBondContact O-N 3.31Å; S391-S394 PolarHBondContact O-N 3.34Å; V392-S394 VanDerWaalsContact C-N 3.32Å; V392-S394 PolarHBondContact O-N 3.49Å; S394-L397 PolarHBondContact O-N 3.07Å; S394-N398 WeakPolarHBondContact O-CB 3.45Å; S394-N398 PolarHBondContact O-N 3.34Å; S394-N398 PolarHBondContact O-ND2 3.05Å; S394-N398 PolarHBondContact OG-ND2 2.76Å; S394-N398 VanDerWaalsContact OG-ND2 3.1Å |
| 395 | Q | 84.3 | Confident | 79.8 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 176 | -74.7 | 176.1 | -0.6 | 0 | 0 | 112.8 | S391 V392 L397 G399 | S391-Q395 WeakPolarHBondContact O-CB 3.3Å; S391-Q395 VanDerWaalsContact O-CG 3.28Å; S391-Q395 WeakPolarHBondContact O-CG 3.35Å; S391-Q395 PolarHBondContact O-N 2.99Å; V392-Q395 PolarHBondContact O-N 3.09Å; Q395-L397 VanDerWaalsContact C-N 3.26Å; Q395-L397 PolarHBondContact O-N 2.8Å; Q395-G399 WeakPolarHBondContact O-CA 3.35Å; Q395-G399 PolarHBondContact O-N 3.02Å |
| 396 | M | 83.7 | Confident | 79.9 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -32.8 | 176.8 | -77.2 | 178.8 | 63.4 | 0 | 0 | 112.6 | K372 V392 C393 G403 V407 V408 V411 | K372-M396 HydrophobicContact CB-CE 4.03Å; K372-M396 HydrophobicContact CB-SD 3.87Å; K372-M396 HydrophobicContact CD-CG 4.26Å; K372-M396 HydrophobicContact CD-SD 4.21Å; K372-M396 HydrophobicContact CG-CE 4.24Å; K372-M396 HydrophobicContact CG-CG 4.24Å; K372-M396 HydrophobicContact CG-SD 3.94Å; V392-M396 HydrophobicContact CG1-CG 4.33Å; V392-M396 HydrophobicContact CG1-SD 4.01Å; V392-M396 WeakPolarHBondContact O-CB 3.37Å; V392-M396 VanDerWaalsContact O-CG 3.29Å; V392-M396 WeakPolarHBondContact O-CG 3.17Å; V392-M396 PolarHBondContact O-N 3.2Å; C393-M396 PolarHBondContact O-N 2.96Å; M396-G403 PolarHBondContact O-N 2.78Å; M396-V407 HydrophobicContact CE-CG1 3.76Å; M396-V408 HydrophobicContact CE-CG2 4.16Å; M396-V411 HydrophobicContact CE-CG2 4.03Å; M396-V411 HydrophobicContact SD-CG2 4.31Å |
| 397 | L | 81.7 | Confident | 79.9 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.3 | -36.8 | 179.4 | -63.8 | -179.8 | 0 | 0 | 0 | 112.7 | C393 S394 Q395 V408 V463 F467 V481 | C393-L397 WeakPolarHBondContact O-CG 3.37Å; C393-L397 PolarHBondContact O-N 2.97Å; S394-L397 PolarHBondContact O-N 3.07Å; Q395-L397 VanDerWaalsContact C-N 3.26Å; Q395-L397 PolarHBondContact O-N 2.8Å; L397-V408 HydrophobicContact CD2-CG1 4.22Å; L397-V408 HydrophobicContact CD2-CG2 4.18Å; L397-V463 HydrophobicContact CD1-CG1 3.53Å; L397-F467 HydrophobicContact CB-CD2 3.74Å; L397-F467 HydrophobicContact CB-CE2 3.77Å; L397-F467 HydrophobicContact CB-CG 4.25Å; L397-F467 HydrophobicContact CB-CZ 4.29Å; L397-F467 HydrophobicContact CD1-CD1 4.25Å; L397-F467 HydrophobicContact CD1-CG 4.24Å; L397-F467 HydrophobicContact CD2-CZ 4.48Å; L397-F467 WeakPolarHBondContact O-CE2 3.38Å; L397-V481 HydrophobicContact CD1-CG1 4.06Å; L397-V481 HydrophobicContact CD2-CB 4.46Å; L397-V481 HydrophobicContact CD2-CG1 3.71Å; L397-V481 HydrophobicContact CD2-CG2 3.87Å |
| 398 | N | 76.2 | Confident | 80 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -102.3 | -15.7 | -172.6 | -67 | -60.1 | 0 | 0 | 0 | 115 | S394 | S394-N398 WeakPolarHBondContact O-CB 3.45Å; S394-N398 PolarHBondContact O-N 3.34Å; S394-N398 PolarHBondContact O-ND2 3.05Å; S394-N398 PolarHBondContact OG-ND2 2.76Å; S394-N398 VanDerWaalsContact OG-ND2 3.1Å |
| 399 | G | 66.9 | Low | 80.1 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.2 | 165.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q395 D401 | Q395-G399 WeakPolarHBondContact O-CA 3.35Å; Q395-G399 PolarHBondContact O-N 3.02Å; G399-D401 PolarHBondContact O-N 3.49Å |
| 400 | E | 58.7 | Low | 80.1 | Confident | 211 Ų | 211 | 51.1 Ų | 51.1 | 99% | 0.986 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -60.4 | -33.6 | 173.7 | -62.9 | -173.5 | 164.1 | 0 | 0 | 111.5 | K402 | E400-K402 PolarHBondContact O-N 2.89Š|
| 401 | D | 61 | Low | 80.2 | Confident | 151 Ų | 151 | 51.1 Ų | 51.1 | 81% | 0.807 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -93.6 | 73.6 | 175 | -155.7 | 13.6 | 0 | 0 | 0 | 110 | G399 G403 | G399-D401 PolarHBondContact O-N 3.49Å; D401-G403 PolarHBondContact O-N 2.97Å; D401-G403 VanDerWaalsContact O-N 3.08Å |
| 402 | K | 67.4 | Low | 80.4 | Confident | 103 Ų | 103 | 49 Ų | 49 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 116.7 | 179.5 | -70.5 | -179.9 | -179.9 | 172.5 | 0 | 109.2 | E400 S404 | E400-K402 PolarHBondContact O-N 2.89Å; K402-S404 PolarHBondContact O-N 3.32Å |
| 403 | G | 67.1 | Low | 80.6 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 136 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M396 D401 | M396-G403 PolarHBondContact O-N 2.78Å; D401-G403 PolarHBondContact O-N 2.97Å; D401-G403 VanDerWaalsContact O-N 3.08Å |
| 404 | S | 80.9 | Confident | 80.6 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 144.5 | 175.4 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | K402 P406 V407 V408 | K402-S404 PolarHBondContact O-N 3.32Å; S404-P406 VanDerWaalsContact C-N 3.28Å; S404-V407 PolarHBondContact O-N 3.08Å; S404-V407 VanDerWaalsContact OG-CG2 3.22Å; S404-V407 WeakPolarHBondContact OG-CG2 3.25Å; S404-V408 PolarHBondContact O-N 2.86Å; S404-V408 VanDerWaalsContact O-N 3.07Å |
| 405 | L | 83.9 | Confident | 80.8 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -52.1 | -40.2 | -179.1 | -173.6 | 69.4 | 0 | 0 | 0 | 113.1 | V407 V408 A409 A480 V481 E484 | L405-V407 VanDerWaalsContact C-N 3.33Å; L405-V407 PolarHBondContact O-N 3.12Å; L405-V408 PolarHBondContact O-N 2.83Å; L405-A409 WeakPolarHBondContact O-CB 3.4Å; L405-A409 PolarHBondContact O-N 3.42Å; L405-A480 HydrophobicContact CD1-CB 4.14Å; L405-A480 HydrophobicContact CD2-CB 4.08Å; L405-V481 HydrophobicContact CD1-CG2 4.19Å; L405-E484 HydrophobicContact CD1-CB 4.36Å; L405-E484 HydrophobicContact CD1-CG 4.46Å |
| 406 | P | 87.2 | Confident | 81.1 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.1 | -37 | 175 | -23.6 | 35.2 | 0 | 0 | 0 | 113.5 | S404 A409 T410 | S404-P406 VanDerWaalsContact C-N 3.28Å; P406-A409 WeakPolarHBondContact O-CB 3.49Å; P406-A409 PolarHBondContact O-N 3.39Å; P406-T410 WeakPolarHBondContact O-CG2 3.35Å; P406-T410 PolarHBondContact O-N 2.56Å |
| 407 | V | 86.4 | Confident | 81.4 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | K372 M396 S404 L405 A409 T410 V411 | K372-V407 HydrophobicContact CB-CG1 4.04Å; M396-V407 HydrophobicContact CE-CG1 3.76Å; S404-V407 PolarHBondContact O-N 3.08Å; S404-V407 VanDerWaalsContact OG-CG2 3.22Å; S404-V407 WeakPolarHBondContact OG-CG2 3.25Å; L405-V407 VanDerWaalsContact C-N 3.33Å; L405-V407 PolarHBondContact O-N 3.12Å; V407-A409 VanDerWaalsContact C-N 3.3Å; V407-A409 PolarHBondContact O-N 3.33Å; V407-T410 PolarHBondContact O-N 2.84Å; V407-T410 PolarHBondContact O-OG1 3.15Å; V407-V411 WeakPolarHBondContact O-CG2 3.22Å; V407-V411 PolarHBondContact O-N 2.84Å |
| 408 | V | 87.5 | Confident | 81.6 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 174 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | M396 L397 S404 L405 T410 V411 F412 V481 | M396-V408 HydrophobicContact CE-CG2 4.16Å; L397-V408 HydrophobicContact CD2-CG1 4.22Å; L397-V408 HydrophobicContact CD2-CG2 4.18Å; S404-V408 PolarHBondContact O-N 2.86Å; S404-V408 VanDerWaalsContact O-N 3.07Å; L405-V408 PolarHBondContact O-N 2.83Å; V408-T410 PolarHBondContact O-N 3.36Å; V408-V411 PolarHBondContact O-N 3.02Å; V408-F412 HydrophobicContact CG1-CD2 3.87Å; V408-F412 HydrophobicContact CG1-CE1 4.25Å; V408-F412 HydrophobicContact CG1-CE2 3.38Å; V408-F412 HydrophobicContact CG1-CG 4.49Å; V408-F412 HydrophobicContact CG1-CZ 3.6Å; V408-F412 WeakPolarHBondContact O-CG 3.31Å; V408-F412 PolarHBondContact O-N 3.07Å; V408-V481 HydrophobicContact CG1-CG1 4.44Å |
| 409 | A | 87.2 | Confident | 82.1 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.7 | -51.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L405 P406 V407 V411 F412 D413 E484 | L405-A409 WeakPolarHBondContact O-CB 3.4Å; L405-A409 PolarHBondContact O-N 3.42Å; P406-A409 WeakPolarHBondContact O-CB 3.49Å; P406-A409 PolarHBondContact O-N 3.39Å; V407-A409 VanDerWaalsContact C-N 3.3Å; V407-A409 PolarHBondContact O-N 3.33Å; A409-V411 VanDerWaalsContact C-N 3.26Å; A409-V411 PolarHBondContact O-N 3.1Å; A409-F412 PolarHBondContact O-N 2.93Å; A409-D413 VanDerWaalsContact O-CG 3.25Å; A409-D413 PolarHBondContact O-N 3.23Å; A409-E484 HydrophobicContact CB-CG 3.61Å; A409-E484 WeakPolarHBondContact CB-OE1 3.39Å |
| 410 | T | 88.9 | Confident | 83 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -35 | 179.7 | 62 | 0 | 0 | 0 | 0 | 112.6 | P406 V407 V408 K414 | P406-T410 WeakPolarHBondContact O-CG2 3.35Å; P406-T410 PolarHBondContact O-N 2.56Å; V407-T410 PolarHBondContact O-N 2.84Å; V407-T410 PolarHBondContact O-OG1 3.15Å; V408-T410 PolarHBondContact O-N 3.36Å; T410-K414 VanDerWaalsContact O-CG 3.24Å; T410-K414 WeakPolarHBondContact O-CG 3.41Å; T410-K414 PolarHBondContact O-N 3.3Å; T410-K414 VanDerWaalsContact O-N 3.13Å |
| 411 | V | 89.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -49.2 | 176 | 168.1 | 0 | 0 | 0 | 0 | 110 | I376 M396 V407 V408 A409 D413 K414 L415 | I376-V411 HydrophobicContact CD1-CG1 4.19Å; I376-V411 HydrophobicContact CG1-CB 4.44Å; I376-V411 HydrophobicContact CG1-CG1 3.85Å; I376-V411 HydrophobicContact CG1-CG2 3.86Å; M396-V411 HydrophobicContact CE-CG2 4.03Å; M396-V411 HydrophobicContact SD-CG2 4.31Å; V407-V411 WeakPolarHBondContact O-CG2 3.22Å; V407-V411 PolarHBondContact O-N 2.84Å; V408-V411 PolarHBondContact O-N 3.02Å; A409-V411 VanDerWaalsContact C-N 3.26Å; A409-V411 PolarHBondContact O-N 3.1Å; V411-D413 VanDerWaalsContact C-N 3.33Å; V411-D413 PolarHBondContact O-N 3.4Å; V411-K414 PolarHBondContact O-N 2.88Å; V411-L415 HydrophobicContact CG1-CD1 4.05Å; V411-L415 HydrophobicContact CG1-CG 4.31Å; V411-L415 VanDerWaalsContact O-CG 3.31Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 3.31Å |
| 412 | F | 90.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.6 | -67.1 | -21.2 | 0 | 0 | 0 | 112.6 | V408 A409 K414 L415 N416 M459 V481 Y485 S488 | V408-F412 HydrophobicContact CG1-CD2 3.87Å; V408-F412 HydrophobicContact CG1-CE1 4.25Å; V408-F412 HydrophobicContact CG1-CE2 3.38Å; V408-F412 HydrophobicContact CG1-CG 4.49Å; V408-F412 HydrophobicContact CG1-CZ 3.6Å; V408-F412 WeakPolarHBondContact O-CG 3.31Å; V408-F412 PolarHBondContact O-N 3.07Å; A409-F412 PolarHBondContact O-N 2.93Å; F412-K414 VanDerWaalsContact C-N 3.32Å; F412-K414 PolarHBondContact O-N 2.81Å; F412-L415 PolarHBondContact O-N 3.42Å; F412-N416 WeakPolarHBondContact O-CB 3.34Å; F412-N416 PolarHBondContact O-N 2.9Å; F412-N416 PolarHBondContact O-ND2 3.4Å; F412-M459 HydrophobicContact CD1-CE 4.33Å; F412-M459 HydrophobicContact CE1-CE 4.11Å; F412-M459 HydrophobicContact CE1-SD 4.24Å; F412-V481 HydrophobicContact CE2-CG1 3.99Å; F412-V481 HydrophobicContact CZ-CG1 4.11Å; F412-Y485 HydrophobicContact CB-CD2 4.24Å; F412-Y485 HydrophobicContact CD1-CD2 4.07Å; F412-Y485 AromaticContact CD2-CD2 3.98Å; F412-Y485 HydrophobicContact CD2-CD2 3.98Å; F412-Y485 HydrophobicContact CD2-CG 4.43Å; F412-Y485 HydrophobicContact CE1-CD2 4.38Å; F412-Y485 HydrophobicContact CE2-CD2 4.29Å; F412-Y485 HydrophobicContact CE2-CG 4.48Å; F412-Y485 AromaticContact CG-CD2 3.86Å; F412-Y485 HydrophobicContact CG-CD2 3.86Å; F412-Y485 HydrophobicContact CZ-CD2 4.48Å; F412-S488 VanDerWaalsContact C-OG 3.23Å; F412-S488 PolarHBondContact O-OG 3.44Å |
| 413 | D | 89.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 177.3 | -68.5 | -21.1 | 0 | 0 | 0 | 111.4 | A409 V411 Q417 R487 S488 | A409-D413 VanDerWaalsContact O-CG 3.25Å; A409-D413 PolarHBondContact O-N 3.23Å; V411-D413 VanDerWaalsContact C-N 3.33Å; V411-D413 PolarHBondContact O-N 3.4Å; D413-Q417 WeakPolarHBondContact O-CB 3.36Å; D413-Q417 PolarHBondContact O-N 2.93Å; D413-R487 IonicContact OD1-CZ 3.11Å; D413-R487 IonicContact OD1-NH1 3.53Å; D413-R487 IonicContact OD1-NH2 3.84Å; D413-R487 PolarHBondContact OD1-NH2 3.17Å; D413-R487 IonicContact OD2-NH2 3.27Å; D413-R487 PolarHBondContact OD2-NH2 2.93Å; D413-R487 VanDerWaalsContact OD2-NH2 3.08Å; D413-S488 VanDerWaalsContact CA-OG 3.24Å; D413-S488 WeakPolarHBondContact CA-OG 3.49Å; D413-S488 PolarHBondContact N-OG 2.84Å; D413-S488 WeakPolarHBondContact OD1-CA 3.46Å; D413-S488 WeakPolarHBondContact OD1-CB 3.28Å; D413-S488 PolarHBondContact OD1-OG 2.94Å |
| 414 | K | 88.3 | Confident | 87.1 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 175.9 | -70.6 | 172.4 | 178.8 | -158.1 | 0 | 113 | G373 I376 D377 L380 T410 V411 F412 Q417 V418 | G373-K414 PolarHBondContact O-NZ 3.23Å; I376-K414 HydrophobicContact CG2-CB 4.3Å; I376-K414 HydrophobicContact CG2-CD 4.42Å; D377-K414 VanDerWaalsContact OD1-CD 3.3Å; D377-K414 WeakPolarHBondContact OD1-CD 3.5Å; D377-K414 WeakPolarHBondContact OD1-CE 3.19Å; D377-K414 IonicContact OD1-NZ 3.56Å; D377-K414 PolarHBondContact OD1-NZ 3.24Å; D377-K414 IonicContact OD2-NZ 2.73Å; D377-K414 PolarHBondContact OD2-NZ 2.98Å; L380-K414 HydrophobicContact CD1-CB 4.2Å; T410-K414 VanDerWaalsContact O-CG 3.24Å; T410-K414 WeakPolarHBondContact O-CG 3.41Å; T410-K414 PolarHBondContact O-N 3.3Å; T410-K414 VanDerWaalsContact O-N 3.13Å; V411-K414 PolarHBondContact O-N 2.88Å; F412-K414 VanDerWaalsContact C-N 3.32Å; F412-K414 PolarHBondContact O-N 2.81Å; K414-Q417 PolarHBondContact O-N 2.6Å; K414-V418 WeakPolarHBondContact O-CG2 3.13Å; K414-V418 PolarHBondContact O-N 3.11Å |
| 415 | L | 89.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 179.6 | -65.5 | -178.4 | 0 | 0 | 0 | 111.4 | I376 L380 I389 V411 F412 Q417 V418 F419 I454 M459 | I376-L415 HydrophobicContact CG2-CD2 4.04Å; L380-L415 HydrophobicContact CD1-CD2 4.46Å; L380-L415 HydrophobicContact CD2-CD2 3.67Å; L380-L415 HydrophobicContact CG-CD2 4.35Å; I389-L415 HydrophobicContact CG2-CD1 4.18Å; I389-L415 HydrophobicContact CG2-CD2 3.78Å; V411-L415 HydrophobicContact CG1-CD1 4.05Å; V411-L415 HydrophobicContact CG1-CG 4.31Å; V411-L415 VanDerWaalsContact O-CG 3.31Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 3.31Å; F412-L415 PolarHBondContact O-N 3.42Å; L415-Q417 VanDerWaalsContact C-N 3.33Å; L415-Q417 PolarHBondContact O-N 3.21Å; L415-V418 PolarHBondContact O-N 2.96Å; L415-F419 PolarHBondContact O-N 3.31Å; L415-I454 HydrophobicContact CD1-CD1 4.19Å; L415-I454 HydrophobicContact CD2-CD1 4.12Å; L415-M459 HydrophobicContact CD1-CE 3.66Å |
| 416 | N | 90.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -32.7 | -179.3 | -69.7 | -30.8 | 0 | 0 | 0 | 111.6 | F412 F419 K420 S488 L489 V492 I494 | F412-N416 WeakPolarHBondContact O-CB 3.34Å; F412-N416 PolarHBondContact O-N 2.9Å; F412-N416 PolarHBondContact O-ND2 3.4Å; N416-F419 PolarHBondContact O-N 2.89Å; N416-K420 PolarHBondContact O-N 3.39Å; N416-S488 WeakPolarHBondContact ND2-CB 3.3Å; N416-S488 PolarHBondContact ND2-OG 3.39Å; N416-L489 HydrophobicContact CB-CD2 4.42Å; N416-L489 WeakPolarHBondContact OD1-CD2 3.33Å; N416-V492 HydrophobicContact CB-CG2 4.22Å; N416-I494 HydrophobicContact CB-CD1 4.39Å; N416-I494 WeakPolarHBondContact O-CD1 3.4Å |
| 417 | Q | 88.9 | Confident | 86.9 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 172.8 | 179.9 | 59 | 36.1 | 0 | 0 | 111.7 | D413 K414 L415 F419 K420 E421 | D413-Q417 WeakPolarHBondContact O-CB 3.36Å; D413-Q417 PolarHBondContact O-N 2.93Å; K414-Q417 PolarHBondContact O-N 2.6Å; L415-Q417 VanDerWaalsContact C-N 3.33Å; L415-Q417 PolarHBondContact O-N 3.21Å; Q417-F419 VanDerWaalsContact C-N 3.27Å; Q417-F419 PolarHBondContact O-N 3.22Å; Q417-K420 PolarHBondContact O-N 3.2Å; Q417-E421 PolarHBondContact NE2-OE1 3.37Å; Q417-E421 WeakPolarHBondContact O-CG 3.24Å; Q417-E421 PolarHBondContact O-N 2.62Å |
| 418 | V | 85.9 | Confident | 86.7 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L380 K414 L415 E421 Y422 V453 | L380-V418 HydrophobicContact CD1-CG2 4.08Å; L380-V418 HydrophobicContact CD2-CB 4.38Å; L380-V418 HydrophobicContact CD2-CG1 4.46Å; L380-V418 HydrophobicContact CD2-CG2 4.08Å; K414-V418 WeakPolarHBondContact O-CG2 3.13Å; K414-V418 PolarHBondContact O-N 3.11Å; L415-V418 PolarHBondContact O-N 2.96Å; V418-E421 PolarHBondContact O-N 3.02Å; V418-Y422 PolarHBondContact O-N 3.5Å; V418-Y422 VanDerWaalsContact O-N 3.11Å; V418-V453 HydrophobicContact CG1-CG2 4.47Å |
| 419 | F | 86.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 48 Ų | 48 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.3 | -176.8 | -138.3 | 0 | 0 | 0 | 112.4 | L415 N416 Q417 Y422 L423 V453 D455 Q456 I494 | L415-F419 PolarHBondContact O-N 3.31Å; N416-F419 PolarHBondContact O-N 2.89Å; Q417-F419 VanDerWaalsContact C-N 3.27Å; Q417-F419 PolarHBondContact O-N 3.22Å; F419-Y422 WeakPolarHBondContact O-CB 3.4Å; F419-Y422 PolarHBondContact O-N 3.48Å; F419-L423 HydrophobicContact CD1-CD1 4.38Å; F419-L423 HydrophobicContact CD2-CG 4.34Å; F419-L423 HydrophobicContact CE1-CD1 4.04Å; F419-L423 HydrophobicContact CE2-CD1 4.23Å; F419-L423 HydrophobicContact CE2-CD2 4.11Å; F419-L423 HydrophobicContact CE2-CG 4.07Å; F419-L423 HydrophobicContact CZ-CD1 3.97Å; F419-L423 HydrophobicContact CZ-CD2 4.27Å; F419-L423 HydrophobicContact CZ-CG 4.28Å; F419-L423 WeakPolarHBondContact O-CG 3.27Å; F419-L423 PolarHBondContact O-N 3.49Å; F419-V453 HydrophobicContact CD2-CG1 3.54Å; F419-V453 HydrophobicContact CE2-CG1 4.23Å; F419-V453 HydrophobicContact CG-CG1 4.45Å; F419-D455 HydrophobicContact CE2-CB 4.14Å; F419-D455 HydrophobicContact CZ-CB 4.09Å; F419-Q456 HydrophobicContact CE1-CG 4.36Å; F419-I494 HydrophobicContact CD1-CD1 3.75Å; F419-I494 HydrophobicContact CE1-CD1 4.43Å; F419-I494 HydrophobicContact CE1-CG2 4.19Å; F419-I494 HydrophobicContact CG-CD1 4.46Å |
| 420 | K | 87 | Confident | 85.9 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 174.1 | 176.4 | 177.4 | -168.9 | 158.5 | 0 | 112.5 | N416 Q417 Y422 L423 E424 V492 I494 | N416-K420 PolarHBondContact O-N 3.39Å; Q417-K420 PolarHBondContact O-N 3.2Å; K420-Y422 PolarHBondContact O-N 2.88Å; K420-L423 PolarHBondContact O-N 2.95Å; K420-E424 WeakPolarHBondContact CE-OE1 3.4Å; K420-E424 HydrophobicContact CG-CG 4.17Å; K420-E424 WeakPolarHBondContact O-CG 3.22Å; K420-E424 PolarHBondContact O-N 3.3Å; K420-V492 HydrophobicContact CB-CG1 3.46Å; K420-V492 VanDerWaalsContact CB-CG1 3.46Å; K420-V492 HydrophobicContact CD-CG1 3.46Å; K420-V492 VanDerWaalsContact CD-CG1 3.46Å; K420-V492 WeakPolarHBondContact CD-O 3.48Å; K420-V492 WeakPolarHBondContact CE-O 3.5Å; K420-V492 HydrophobicContact CG-CG1 4.06Å; K420-V492 PolarHBondContact NZ-O 3.33Å; K420-I494 HydrophobicContact CB-CD1 4.12Å; K420-I494 HydrophobicContact CB-CG1 4.41Å |
| 421 | E | 86.2 | Confident | 85.5 | Confident | 101 Ų | 101 | 52 Ų | 52 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.7 | -38.1 | 178.5 | -72.5 | 170.3 | -163.6 | 0 | 0 | 111.2 | Q417 V418 A425 | Q417-E421 PolarHBondContact NE2-OE1 3.37Å; Q417-E421 WeakPolarHBondContact O-CG 3.24Å; Q417-E421 PolarHBondContact O-N 2.62Å; V418-E421 PolarHBondContact O-N 3.02Å; E421-A425 VanDerWaalsContact O-CB 3.32Å; E421-A425 WeakPolarHBondContact O-CB 3.4Å; E421-A425 PolarHBondContact O-N 2.61Å |
| 422 | Y | 84.6 | Confident | 84.6 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 172.4 | 172.6 | -91.8 | 0 | 0 | 0 | 112.6 | V418 F419 K420 E424 A425 E426 P447 R449 V453 | V418-Y422 PolarHBondContact O-N 3.5Å; V418-Y422 VanDerWaalsContact O-N 3.11Å; F419-Y422 WeakPolarHBondContact O-CB 3.4Å; F419-Y422 PolarHBondContact O-N 3.48Å; K420-Y422 PolarHBondContact O-N 2.88Å; Y422-E424 VanDerWaalsContact C-N 3.33Å; Y422-E424 PolarHBondContact O-N 3.26Å; Y422-A425 PolarHBondContact O-N 3.47Å; Y422-E426 WeakPolarHBondContact CE1-OE2 3.22Å; Y422-E426 WeakPolarHBondContact O-CB 3.38Å; Y422-E426 PolarHBondContact O-N 3.27Å; Y422-E426 PolarHBondContact OH-OE2 3.19Å; Y422-E426 VanDerWaalsContact OH-OE2 3.14Å; Y422-P447 HydrophobicContact CE2-CB 4.44Å; Y422-R449 HydrophobicContact CE2-CB 4.27Å; Y422-R449 HydrophobicContact CE2-CG 4.28Å; Y422-V453 HydrophobicContact CD1-CG1 4.11Å; Y422-V453 HydrophobicContact CD2-CG2 3.97Å; Y422-V453 HydrophobicContact CG-CG1 4.07Å; Y422-V453 HydrophobicContact CG-CG2 3.91Å |
| 423 | L | 84.3 | Confident | 83.6 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 178.4 | -69.9 | 173.5 | 0 | 0 | 0 | 112 | F419 K420 E426 Q427 I494 | F419-L423 HydrophobicContact CD1-CD1 4.38Å; F419-L423 HydrophobicContact CD2-CG 4.34Å; F419-L423 HydrophobicContact CE1-CD1 4.04Å; F419-L423 HydrophobicContact CE2-CD1 4.23Å; F419-L423 HydrophobicContact CE2-CD2 4.11Å; F419-L423 HydrophobicContact CE2-CG 4.07Å; F419-L423 HydrophobicContact CZ-CD1 3.97Å; F419-L423 HydrophobicContact CZ-CD2 4.27Å; F419-L423 HydrophobicContact CZ-CG 4.28Å; F419-L423 WeakPolarHBondContact O-CG 3.27Å; F419-L423 PolarHBondContact O-N 3.49Å; K420-L423 PolarHBondContact O-N 2.95Å; L423-E426 PolarHBondContact O-N 2.7Å; L423-Q427 WeakPolarHBondContact O-CB 3.15Å; L423-Q427 VanDerWaalsContact O-CG 3.32Å; L423-Q427 WeakPolarHBondContact O-CG 3.48Å; L423-Q427 PolarHBondContact O-N 3.4Å; L423-I494 HydrophobicContact CD1-CG1 4.36Å |
| 424 | E | 85.7 | Confident | 82.8 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.3 | -70.8 | 178.6 | 170.7 | 0 | 0 | 111.7 | K420 Y422 Q427 T428 | K420-E424 WeakPolarHBondContact CE-OE1 3.4Å; K420-E424 HydrophobicContact CG-CG 4.17Å; K420-E424 WeakPolarHBondContact O-CG 3.22Å; K420-E424 PolarHBondContact O-N 3.3Å; Y422-E424 VanDerWaalsContact C-N 3.33Å; Y422-E424 PolarHBondContact O-N 3.26Å; E424-Q427 PolarHBondContact O-N 2.69Å; E424-T428 WeakPolarHBondContact O-CB 3.43Å; E424-T428 PolarHBondContact O-N 3.24Å; E424-T428 PolarHBondContact O-OG1 3.11Å |
| 425 | A | 82.9 | Confident | 81.7 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E421 Y422 T428 Y429 P447 | E421-A425 VanDerWaalsContact O-CB 3.32Å; E421-A425 WeakPolarHBondContact O-CB 3.4Å; E421-A425 PolarHBondContact O-N 2.61Å; Y422-A425 PolarHBondContact O-N 3.47Å; A425-T428 PolarHBondContact O-N 3.2Å; A425-Y429 WeakPolarHBondContact O-CB 3.47Å; A425-Y429 PolarHBondContact O-N 3.46Å; A425-P447 HydrophobicContact CB-CB 4.15Å; A425-P447 HydrophobicContact CB-CG 4.2Å |
| 426 | E | 81.9 | Confident | 80 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 177.4 | -172.1 | 169.3 | -161.4 | 0 | 0 | 112 | Y422 L423 Y429 T430 P447 | Y422-E426 WeakPolarHBondContact CE1-OE2 3.22Å; Y422-E426 WeakPolarHBondContact O-CB 3.38Å; Y422-E426 PolarHBondContact O-N 3.27Å; Y422-E426 PolarHBondContact OH-OE2 3.19Å; Y422-E426 VanDerWaalsContact OH-OE2 3.14Å; L423-E426 PolarHBondContact O-N 2.7Å; E426-Y429 PolarHBondContact O-N 3.08Å; E426-T430 PolarHBondContact O-N 2.88Å; E426-T430 PolarHBondContact O-OG1 3.27Å; E426-P447 HydrophobicContact CB-CG 4.44Å |
| 427 | Q | 82.1 | Confident | 78.2 | Confident | 133 Ų | 133 | 74 Ų | 74 | 62% | 0.621 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | 172.7 | -75.1 | 177.2 | 4.1 | 0 | 0 | 111.4 | L423 E424 Y429 T430 V431 | L423-Q427 WeakPolarHBondContact O-CB 3.15Å; L423-Q427 VanDerWaalsContact O-CG 3.32Å; L423-Q427 WeakPolarHBondContact O-CG 3.48Å; L423-Q427 PolarHBondContact O-N 3.4Å; E424-Q427 PolarHBondContact O-N 2.69Å; Q427-Y429 VanDerWaalsContact C-N 3.27Å; Q427-Y429 PolarHBondContact O-N 3.48Å; Q427-T430 PolarHBondContact O-N 3.39Å; Q427-V431 WeakPolarHBondContact O-CG2 3.21Å; Q427-V431 PolarHBondContact O-N 2.76Å |
| 428 | T | 82.4 | Confident | 76.4 | Confident | 84 Ų | 84 | 74.4 Ų | 74.4 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 178.4 | -57 | 0 | 0 | 0 | 0 | 111.6 | E424 A425 A432 | E424-T428 WeakPolarHBondContact O-CB 3.43Å; E424-T428 PolarHBondContact O-N 3.24Å; E424-T428 PolarHBondContact O-OG1 3.11Å; A425-T428 PolarHBondContact O-N 3.2Å; T428-A432 VanDerWaalsContact O-CB 3.27Å; T428-A432 WeakPolarHBondContact O-CB 3.31Å; T428-A432 PolarHBondContact O-N 3.41Å; T428-A432 VanDerWaalsContact O-N 3.09Å |
| 429 | Y | 79.9 | Confident | 74.2 | Confident | 56 Ų | 56 | 85.2 Ų | 85.2 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 175.4 | 179.6 | -97.9 | 0 | 0 | 0 | 112.1 | A425 E426 Q427 A432 M433 R446 | A425-Y429 WeakPolarHBondContact O-CB 3.47Å; A425-Y429 PolarHBondContact O-N 3.46Å; E426-Y429 PolarHBondContact O-N 3.08Å; Q427-Y429 VanDerWaalsContact C-N 3.27Å; Q427-Y429 PolarHBondContact O-N 3.48Å; Y429-A432 PolarHBondContact O-N 3.02Å; Y429-M433 HydrophobicContact CD1-CG 4.5Å; Y429-M433 HydrophobicContact CD1-SD 4.21Å; Y429-M433 HydrophobicContact CE1-CG 3.97Å; Y429-M433 HydrophobicContact CE1-SD 3.35Å; Y429-M433 WeakPolarHBondContact CE1-SD 3.3Å; Y429-M433 PolarHBondContact O-N 3.18Å; Y429-R446 HydrophobicContact CD1-CG 4.13Å; Y429-R446 HydrophobicContact CE1-CB 4.08Å; Y429-R446 HydrophobicContact CE1-CG 3.81Å; Y429-R446 HydrophobicContact CE2-CB 4.02Å |
| 430 | T | 78.1 | Confident | 72.3 | Confident | 64 Ų | 64 | 88 Ų | 88 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | -179.6 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | E426 Q427 A432 M433 E434 | E426-T430 PolarHBondContact O-N 2.88Å; E426-T430 PolarHBondContact O-OG1 3.27Å; Q427-T430 PolarHBondContact O-N 3.39Å; T430-A432 VanDerWaalsContact C-N 3.27Å; T430-A432 PolarHBondContact O-N 3.16Å; T430-M433 PolarHBondContact O-N 2.86Å; T430-M433 VanDerWaalsContact O-N 3.14Å; T430-E434 WeakPolarHBondContact O-CG 3.41Å; T430-E434 PolarHBondContact O-N 2.93Å |
| 431 | V | 79.6 | Confident | 70.2 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -35.4 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | Q427 E434 S435 | Q427-V431 WeakPolarHBondContact O-CG2 3.21Å; Q427-V431 PolarHBondContact O-N 2.76Å; V431-E434 PolarHBondContact O-N 2.93Å; V431-S435 PolarHBondContact O-N 3.03Å; V431-S435 PolarHBondContact O-OG 3.42Å |
| 432 | A | 71.8 | Confident | 68.1 | Low | 27 Ų | 27 | 90.2 Ų | 90.2 | 22% | 0.223 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -71.7 | -31 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T428 Y429 T430 S435 | T428-A432 VanDerWaalsContact O-CB 3.27Å; T428-A432 WeakPolarHBondContact O-CB 3.31Å; T428-A432 PolarHBondContact O-N 3.41Å; T428-A432 VanDerWaalsContact O-N 3.09Å; Y429-A432 PolarHBondContact O-N 3.02Å; T430-A432 VanDerWaalsContact C-N 3.27Å; T430-A432 PolarHBondContact O-N 3.16Å; A432-S435 WeakPolarHBondContact CA-OG 3.41Å; A432-S435 PolarHBondContact O-OG 2.99Å |
| 433 | M | 69.6 | Low | 66 | Low | 128 Ų | 128 | 93.5 Ų | 93.5 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | 172.2 | -87.5 | -171.2 | 72.5 | 0 | 0 | 111.8 | Y429 T430 S435 | Y429-M433 HydrophobicContact CD1-CG 4.5Å; Y429-M433 HydrophobicContact CD1-SD 4.21Å; Y429-M433 HydrophobicContact CE1-CG 3.97Å; Y429-M433 HydrophobicContact CE1-SD 3.35Å; Y429-M433 WeakPolarHBondContact CE1-SD 3.3Å; Y429-M433 PolarHBondContact O-N 3.18Å; T430-M433 PolarHBondContact O-N 2.86Å; T430-M433 VanDerWaalsContact O-N 3.14Å; M433-S435 VanDerWaalsContact C-N 3.32Å; M433-S435 PolarHBondContact O-N 2.79Å |
| 434 | E | 72.8 | Confident | 64.3 | Low | 159 Ų | 159 | 98.2 Ų | 98.2 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.2 | -26.9 | 179.9 | -70.3 | 177.7 | 172.6 | 0 | 0 | 113 | T430 V431 | T430-E434 WeakPolarHBondContact O-CG 3.41Å; T430-E434 PolarHBondContact O-N 2.93Å; V431-E434 PolarHBondContact O-N 2.93Å |
| 435 | S | 65.6 | Low | 62.6 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -0.8 | -178.5 | 45.4 | 0 | 0 | 0 | 0 | 115.4 | V431 A432 M433 | V431-S435 PolarHBondContact O-N 3.03Å; V431-S435 PolarHBondContact O-OG 3.42Å; A432-S435 WeakPolarHBondContact CA-OG 3.41Å; A432-S435 PolarHBondContact O-OG 2.99Å; M433-S435 VanDerWaalsContact C-N 3.32Å; M433-S435 PolarHBondContact O-N 2.79Å |
| 436 | G | 54.4 | Low | 60.8 | Low | 32 Ų | 32 | 107.6 Ų | 107.6 | 33% | 0.33 | 59% | 0.593 | S | S | . | * | trans | 72.6 | 158.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S438 | G436-S438 PolarHBondContact O-N 3.46Å; G436-S438 VanDerWaalsContact O-N 3.11Å | ||
| 437 | P | 52.8 | Low | 59.2 | Low | 137 Ų | 137 | 106.5 Ų | 106.5 | 89% | 0.89 | 59% | 0.591 | S | S | * | * | trans | -71.6 | 110.3 | -173.4 | 26.9 | -31.4 | 0 | 0 | 0 | 111.6 | ||||
| 438 | S | 49.9 | Very low | 57.7 | Low | 90 Ų | 90 | 105 Ų | 105 | 63% | 0.629 | 59% | 0.591 | S | S | * | * | trans | -71.3 | 134.1 | 169.3 | -20.4 | 0 | 0 | 0 | 0 | 110 | G436 G440 S441 | G436-S438 PolarHBondContact O-N 3.46Å; G436-S438 VanDerWaalsContact O-N 3.11Å; S438-G440 PolarHBondContact O-N 2.74Å; S438-S441 PolarHBondContact O-N 2.91Å | ||
| 439 | R | 39.8 | Very low | 56.3 | Low | 264 Ų | 264 | 107.9 Ų | 107.9 | 100% | 0.996 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 97 | 175.8 | -77.2 | -177.7 | 170 | -179 | -2.4 | 110.1 | ||
| 440 | G | 46.7 | Very low | 54.7 | Low | 80 Ų | 80 | 109 Ų | 109 | 83% | 0.825 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.5 | -7.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S438 | S438-G440 PolarHBondContact O-N 2.74Š|
| 441 | S | 42.2 | Very low | 53.5 | Low | 64 Ų | 64 | 109.6 Ų | 109.6 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | trans | -75.1 | 130.4 | 175.8 | -175 | 0 | 0 | 0 | 0 | 110.7 | S438 | S438-S441 PolarHBondContact O-N 2.91Š| ||
| 442 | T | 42.1 | Very low | 52.8 | Low | 120 Ų | 120 | 105.6 Ų | 105.6 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | trans | -52.2 | 142.3 | 159.1 | 43.1 | 0 | 0 | 0 | 0 | 108.9 | R444 | T442-R444 PolarHBondContact O-N 3.11Š| ||
| 443 | A | 41.4 | Very low | 53.1 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | trans | -52.3 | 110.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | E445 | A443-E445 PolarHBondContact O-N 3.47Å; A443-E445 VanDerWaalsContact O-N 3.16Å | ||
| 444 | R | 49.3 | Very low | 53.8 | Low | 153 Ų | 153 | 98.8 Ų | 98.8 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | trans | -75.5 | 105.6 | 176.9 | -68.7 | -176.8 | 179.8 | -172.8 | -2.2 | 105.9 | T442 R446 | T442-R444 PolarHBondContact O-N 3.11Å; R444-R446 PolarHBondContact O-N 3.34Å | ||
| 445 | E | 48.5 | Very low | 54.4 | Low | 178 Ų | 178 | 92.2 Ų | 92.2 | 83% | 0.832 | 51% | 0.513 | S | S | * | . | trans | -59.3 | 132.7 | 171.5 | -69.7 | -176.9 | 165.2 | 0 | 0 | 108.2 | A443 | A443-E445 PolarHBondContact O-N 3.47Å; A443-E445 VanDerWaalsContact O-N 3.16Å | ||
| 446 | R | 45.4 | Very low | 55.6 | Low | 153 Ų | 153 | 88.5 Ų | 88.5 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | trans | -53.7 | 134.3 | 171.9 | -174.6 | 176.2 | -178 | 177.6 | 2 | 106.8 | Y429 R444 V448 | Y429-R446 HydrophobicContact CD1-CG 4.13Å; Y429-R446 HydrophobicContact CE1-CB 4.08Å; Y429-R446 HydrophobicContact CE1-CG 3.81Å; Y429-R446 HydrophobicContact CE2-CB 4.02Å; R444-R446 PolarHBondContact O-N 3.34Å; R446-V448 VanDerWaalsContact C-N 3.31Å; R446-V448 PolarHBondContact O-N 3.41Å | ||
| 447 | P | 49.4 | Very low | 57.2 | Low | 32 Ų | 32 | 89.4 Ų | 89.4 | 21% | 0.208 | 49% | 0.487 | C | S | . | . | trans | -55.8 | 105.8 | 170 | 22.1 | -30.1 | 0 | 0 | 0 | 106.6 | Y422 A425 E426 R449 | Y422-P447 HydrophobicContact CE2-CB 4.44Å; A425-P447 HydrophobicContact CB-CB 4.15Å; A425-P447 HydrophobicContact CB-CG 4.2Å; E426-P447 HydrophobicContact CB-CG 4.44Å; P447-R449 PolarHBondContact O-N 3.38Å | ||
| 448 | V | 49.7 | Very low | 58.8 | Low | 102 Ų | 102 | 83.7 Ų | 83.7 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | trans | -60 | 138 | 171.3 | 177.9 | 0 | 0 | 0 | 0 | 104.2 | R446 T450 | R446-V448 VanDerWaalsContact C-N 3.31Å; R446-V448 PolarHBondContact O-N 3.41Å; V448-T450 HydrophobicContact CB-CG2 3.97Å; V448-T450 HydrophobicContact CG1-CG2 4.27Å; V448-T450 PolarHBondContact O-N 3.5Å; V448-T450 PolarHBondContact O-OG1 3.08Å | ||
| 449 | R | 52.5 | Low | 60.6 | Low | 144 Ų | 144 | 79.4 Ų | 79.4 | 54% | 0.543 | 42% | 0.419 | S | S | . | . | trans | -63.4 | 74.6 | 168.8 | -157.9 | 176.9 | -172.4 | -164.8 | -1 | 106.5 | Y422 P447 Q451 D455 | Y422-R449 HydrophobicContact CE2-CB 4.27Å; Y422-R449 HydrophobicContact CE2-CG 4.28Å; P447-R449 PolarHBondContact O-N 3.38Å; R449-Q451 PolarHBondContact O-N 2.85Å; R449-Q451 VanDerWaalsContact O-N 3.14Å; R449-D455 IonicContact CZ-OD2 3.88Å; R449-D455 IonicContact NH2-OD2 2.67Å; R449-D455 PolarHBondContact NH2-OD2 3.21Å | ||
| 450 | T | 46.3 | Very low | 62.9 | Low | 80 Ų | 80 | 69.7 Ų | 69.7 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | trans | -72.7 | 110.6 | -168.9 | 36 | 0 | 0 | 0 | 0 | 105.9 | V448 A452 V453 | V448-T450 HydrophobicContact CB-CG2 3.97Å; V448-T450 HydrophobicContact CG1-CG2 4.27Å; V448-T450 PolarHBondContact O-N 3.5Å; V448-T450 PolarHBondContact O-OG1 3.08Å; T450-A452 PolarHBondContact O-N 3.24Å; T450-V453 PolarHBondContact O-N 3.44Å | ||
| 451 | Q | 54.6 | Low | 64.8 | Low | 76 Ų | 76 | 69.6 Ų | 69.6 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 34.4 | -27.9 | 147 | -72 | 166.2 | -35 | 0 | 0 | 121.7 | R383 D384 C385 K386 R449 | R383-Q451 VanDerWaalsContact CA-CD 3.46Å; R383-Q451 VanDerWaalsContact CA-OE1 3.27Å; R383-Q451 VanDerWaalsContact CG-OE1 3.24Å; D384-Q451 VanDerWaalsContact N-CD 3.32Å; D384-Q451 PolarHBondContact OD1-NE2 3.4Å; C385-Q451 PolarHBondContact N-O 2.64Å; C385-Q451 PolarHBondContact SG-O 2.8Å; K386-Q451 WeakPolarHBondContact CB-O 2.92Å; K386-Q451 PolarHBondContact N-O 3.34Å; R449-Q451 PolarHBondContact O-N 2.85Å; R449-Q451 VanDerWaalsContact O-N 3.14Å |
| 452 | A | 63.5 | Low | 66.8 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -9.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L380 C385 T450 I454 | L380-A452 HydrophobicContact CD2-CB 4.24Å; L380-A452 WeakPolarHBondContact O-CB 3.3Å; C385-A452 WeakPolarHBondContact SG-CA 3.45Å; C385-A452 WeakPolarHBondContact SG-CB 2.68Å; T450-A452 PolarHBondContact O-N 3.24Å; A452-I454 PolarHBondContact O-N 3.31Å |
| 453 | V | 79.4 | Confident | 68.8 | Low | 10 Ų | 10 | 64.7 Ų | 64.7 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | trans | -74 | 116.6 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V418 F419 Y422 T450 | V418-V453 HydrophobicContact CG1-CG2 4.47Å; F419-V453 HydrophobicContact CD2-CG1 3.54Å; F419-V453 HydrophobicContact CE2-CG1 4.23Å; F419-V453 HydrophobicContact CG-CG1 4.45Å; Y422-V453 HydrophobicContact CD1-CG1 4.11Å; Y422-V453 HydrophobicContact CD2-CG2 3.97Å; Y422-V453 HydrophobicContact CG-CG1 4.07Å; Y422-V453 HydrophobicContact CG-CG2 3.91Å; T450-V453 PolarHBondContact O-N 3.44Å | ||
| 454 | I | 83.1 | Confident | 71 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | trans | -105.4 | 118.9 | 176.3 | -63.4 | 177.5 | 0 | 0 | 0 | 108.2 | I389 L390 L415 A452 D458 M459 | I389-I454 HydrophobicContact CB-CD1 3.76Å; I389-I454 HydrophobicContact CD1-CD1 4.41Å; I389-I454 HydrophobicContact CG2-CD1 3.24Å; L390-I454 HydrophobicContact CD2-CD1 4.22Å; L390-I454 HydrophobicContact CD2-CG2 3.96Å; L390-I454 HydrophobicContact CG-CD1 4.33Å; L415-I454 HydrophobicContact CD1-CD1 4.19Å; L415-I454 HydrophobicContact CD2-CD1 4.12Å; A452-I454 PolarHBondContact O-N 3.31Å; I454-D458 HydrophobicContact CG2-CB 3.97Å; I454-M459 HydrophobicContact CG2-CB 4.33Å; I454-M459 HydrophobicContact CG2-CE 4.24Å | ||
| 455 | D | 86.1 | Confident | 72.6 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | trans | -85.5 | 169.9 | 176.1 | 70.4 | 35.7 | 0 | 0 | 0 | 111.8 | F419 R449 S457 D458 M459 | F419-D455 HydrophobicContact CE2-CB 4.14Å; F419-D455 HydrophobicContact CZ-CB 4.09Å; R449-D455 IonicContact CZ-OD2 3.88Å; R449-D455 IonicContact NH2-OD2 2.67Å; R449-D455 PolarHBondContact NH2-OD2 3.21Å; D455-S457 VanDerWaalsContact CG-OG 3.28Å; D455-S457 PolarHBondContact O-N 3.29Å; D455-S457 VanDerWaalsContact OD1-CA 3.3Å; D455-S457 WeakPolarHBondContact OD1-CA 3.23Å; D455-S457 WeakPolarHBondContact OD1-CB 3.47Å; D455-S457 PolarHBondContact OD1-N 3.35Å; D455-S457 PolarHBondContact OD1-OG 3.23Å; D455-S457 PolarHBondContact OD2-OG 2.91Å; D455-D458 PolarHBondContact N-OD2 2.98Å; D455-D458 VanDerWaalsContact N-OD2 3.15Å; D455-D458 PolarHBondContact O-N 2.92Å; D455-D458 WeakPolarHBondContact OD1-CB 3.32Å; D455-D458 PolarHBondContact OD1-N 3.27Å; D455-M459 PolarHBondContact O-N 3.27Å | ||
| 456 | Q | 90.3 | Very high | 74.2 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -23.7 | 178.6 | -66.6 | -179.3 | 51.6 | 0 | 0 | 112.5 | F419 Y460 L489 T495 Q497 Y499 L500 | F419-Q456 HydrophobicContact CE1-CG 4.36Å; Q456-Y460 VanDerWaalsContact O-CB 3.29Å; Q456-Y460 WeakPolarHBondContact O-CB 3.16Å; Q456-Y460 PolarHBondContact O-N 3.01Å; Q456-L489 HydrophobicContact CG-CD1 4.12Å; Q456-L489 HydrophobicContact CG-CD2 4.08Å; Q456-T495 PolarHBondContact NE2-O 3.21Å; Q456-Q497 HydrophobicContact CB-CG 4.49Å; Q456-Y499 WeakPolarHBondContact CB-OH 3.25Å; Q456-Y499 PolarHBondContact O-OH 3.42Å; Q456-Y499 VanDerWaalsContact O-OH 3.09Å; Q456-L500 HydrophobicContact CB-CD1 4.32Å; Q456-L500 HydrophobicContact CG-CD1 4.39Å; Q456-L500 VanDerWaalsContact OE1-CD1 3.25Å |
| 457 | S | 87.3 | Confident | 75.9 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -82.8 | -35.3 | -177.6 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | D455 Y460 T461 Y499 | D455-S457 VanDerWaalsContact CG-OG 3.28Å; D455-S457 PolarHBondContact O-N 3.29Å; D455-S457 VanDerWaalsContact OD1-CA 3.3Å; D455-S457 WeakPolarHBondContact OD1-CA 3.23Å; D455-S457 WeakPolarHBondContact OD1-CB 3.47Å; D455-S457 PolarHBondContact OD1-N 3.35Å; D455-S457 PolarHBondContact OD1-OG 3.23Å; D455-S457 PolarHBondContact OD2-OG 2.91Å; S457-Y460 PolarHBondContact O-N 2.68Å; S457-T461 WeakPolarHBondContact O-CB 3.18Å; S457-T461 PolarHBondContact O-N 2.99Å; S457-T461 PolarHBondContact O-OG1 3.41Å; S457-Y499 WeakPolarHBondContact CA-OH 3.19Å; S457-Y499 PolarHBondContact N-OH 2.81Å; S457-Y499 VanDerWaalsContact N-OH 3.12Å |
| 458 | D | 87.1 | Confident | 77.2 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -49.9 | 173.4 | -65.6 | -45.3 | 0 | 0 | 0 | 110.1 | K386 L390 I454 D455 Y460 T461 H462 | K386-D458 WeakPolarHBondContact CE-OD1 3.36Å; K386-D458 WeakPolarHBondContact CE-OD2 3.39Å; K386-D458 IonicContact NZ-OD1 2.68Å; K386-D458 PolarHBondContact NZ-OD1 2.84Å; K386-D458 IonicContact NZ-OD2 3.95Å; K386-D458 PolarHBondContact NZ-OD2 2.59Å; L390-D458 HydrophobicContact CD1-CB 4.32Å; L390-D458 HydrophobicContact CD2-CB 4.38Å; I454-D458 HydrophobicContact CG2-CB 3.97Å; D455-D458 PolarHBondContact N-OD2 2.98Å; D455-D458 VanDerWaalsContact N-OD2 3.15Å; D455-D458 PolarHBondContact O-N 2.92Å; D455-D458 WeakPolarHBondContact OD1-CB 3.32Å; D455-D458 PolarHBondContact OD1-N 3.27Å; D458-Y460 VanDerWaalsContact C-N 3.32Å; D458-Y460 PolarHBondContact O-N 2.86Å; D458-T461 PolarHBondContact O-N 2.79Å; D458-H462 WeakPolarHBondContact O-CB 3.19Å; D458-H462 PolarHBondContact O-CD2 3.26Å; D458-H462 PolarHBondContact O-N 2.9Å |
| 459 | M | 87.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 177.4 | -173.6 | 60.9 | 73.2 | 0 | 0 | 111.1 | F412 L415 I454 D455 V463 L464 Y485 | F412-M459 HydrophobicContact CD1-CE 4.33Å; F412-M459 HydrophobicContact CE1-CE 4.11Å; F412-M459 HydrophobicContact CE1-SD 4.24Å; L415-M459 HydrophobicContact CD1-CE 3.66Å; I454-M459 HydrophobicContact CG2-CB 4.33Å; I454-M459 HydrophobicContact CG2-CE 4.24Å; D455-M459 PolarHBondContact O-N 3.27Å; M459-V463 WeakPolarHBondContact O-CB 3.47Å; M459-V463 PolarHBondContact O-N 2.96Å; M459-V463 HydrophobicContact SD-CB 3.65Å; M459-V463 HydrophobicContact SD-CG1 3.91Å; M459-V463 HydrophobicContact SD-CG2 3.75Å; M459-L464 HydrophobicContact CG-CD1 3.99Å; M459-L464 HydrophobicContact CG-CG 4.07Å; M459-L464 PolarHBondContact O-N 3.24Å; M459-Y485 HydrophobicContact CE-CE2 4.49Å; M459-Y485 HydrophobicContact CG-CD2 4.41Å; M459-Y485 HydrophobicContact CG-CE1 4.21Å; M459-Y485 HydrophobicContact CG-CE2 3.89Å |
| 460 | Y | 87.6 | Confident | 79.5 | Confident | 60 Ų | 60 | 41 Ų | 41 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -62.1 | -51.8 | 176.2 | 178.7 | -95.6 | 0 | 0 | 0 | 112.3 | Q456 S457 D458 S465 Y499 L500 L503 | Q456-Y460 VanDerWaalsContact O-CB 3.29Å; Q456-Y460 WeakPolarHBondContact O-CB 3.16Å; Q456-Y460 PolarHBondContact O-N 3.01Å; S457-Y460 PolarHBondContact O-N 2.68Å; D458-Y460 VanDerWaalsContact C-N 3.32Å; D458-Y460 PolarHBondContact O-N 2.86Å; Y460-S465 VanDerWaalsContact O-CB 3.28Å; Y460-S465 WeakPolarHBondContact O-CB 3.19Å; Y460-S465 PolarHBondContact O-N 2.85Å; Y460-S465 PolarHBondContact O-OG 3.44Å; Y460-Y499 HydrophobicContact CD1-CD2 4.31Å; Y460-Y499 AromaticContact CD2-CD2 3.6Å; Y460-Y499 HydrophobicContact CD2-CD2 3.6Å; Y460-Y499 AromaticContact CD2-CE2 3.98Å; Y460-Y499 HydrophobicContact CD2-CE2 3.98Å; Y460-Y499 AromaticContact CE2-CD2 3.95Å; Y460-Y499 HydrophobicContact CE2-CD2 3.95Å; Y460-Y499 AromaticContact CG-CD2 3.78Å; Y460-Y499 HydrophobicContact CG-CD2 3.78Å; Y460-Y499 AromaticContact CG-CE2 3.83Å; Y460-Y499 HydrophobicContact CG-CE2 3.83Å; Y460-L500 HydrophobicContact CD2-CD2 4.04Å; Y460-L503 HydrophobicContact CD2-CD2 4.04Å; Y460-L503 HydrophobicContact CE2-CB 4.06Å; Y460-L503 HydrophobicContact CE2-CD1 4.38Å; Y460-L503 HydrophobicContact CE2-CD2 3.8Å; Y460-L503 HydrophobicContact CE2-CG 4.31Å |
| 461 | T | 87.1 | Confident | 80.3 | Confident | 78 Ų | 78 | 46.5 Ų | 46.5 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -72.5 | -41.4 | -170.9 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | S457 D458 S465 | S457-T461 WeakPolarHBondContact O-CB 3.18Å; S457-T461 PolarHBondContact O-N 2.99Å; S457-T461 PolarHBondContact O-OG1 3.41Å; D458-T461 PolarHBondContact O-N 2.79Å; T461-S465 PolarHBondContact O-OG 2.93Å |
| 462 | H | 84 | Confident | 80.8 | Confident | 81 Ų | 81 | 50 Ų | 50 | 38% | 0.375 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -97.4 | -20.2 | -171.4 | -67.1 | -69.3 | 0 | 0 | 0 | 114.5 | L390 D458 | L390-H462 HydrophobicContact CB-CB 4.33Å; L390-H462 HydrophobicContact CD1-CB 4.14Å; L390-H462 HydrophobicContact CD2-CB 4.37Å; D458-H462 WeakPolarHBondContact O-CB 3.19Å; D458-H462 PolarHBondContact O-CD2 3.26Å; D458-H462 PolarHBondContact O-N 2.9Å |
| 463 | V | 85.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -121.4 | -61.6 | -173.4 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | L390 C393 L397 M459 F467 | L390-V463 HydrophobicContact CB-CG2 4.4Å; L390-V463 HydrophobicContact CD2-CG2 3.9Å; C393-V463 HydrophobicContact CB-CG1 4.02Å; C393-V463 HydrophobicContact CB-CG2 3.91Å; L397-V463 HydrophobicContact CD1-CG1 3.53Å; M459-V463 WeakPolarHBondContact O-CB 3.47Å; M459-V463 PolarHBondContact O-N 2.96Å; M459-V463 HydrophobicContact SD-CB 3.65Å; M459-V463 HydrophobicContact SD-CG1 3.91Å; M459-V463 HydrophobicContact SD-CG2 3.75Å; V463-F467 WeakPolarHBondContact O-CB 3.18Å; V463-F467 PolarHBondContact O-N 3.06Å; V463-F467 VanDerWaalsContact O-N 3.14Å |
| 464 | L | 86.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -73.7 | -44.3 | -167.4 | -60.5 | 176.6 | 0 | 0 | 0 | 113.2 | M459 F467 T468 L482 Y485 L500 L503 | M459-L464 HydrophobicContact CG-CD1 3.99Å; M459-L464 HydrophobicContact CG-CG 4.07Å; M459-L464 PolarHBondContact O-N 3.24Å; L464-F467 PolarHBondContact O-N 3.35Å; L464-T468 WeakPolarHBondContact O-CG2 3.28Å; L464-T468 PolarHBondContact O-N 3.35Å; L464-T468 PolarHBondContact O-OG1 3.41Å; L464-L482 HydrophobicContact CB-CD2 4.26Å; L464-L482 HydrophobicContact CD1-CD2 4.13Å; L464-L482 HydrophobicContact CD2-CD2 3.99Å; L464-L482 HydrophobicContact CG-CD2 4.35Å; L464-Y485 HydrophobicContact CD1-CD1 3.9Å; L464-Y485 HydrophobicContact CD1-CE1 4.21Å; L464-Y485 HydrophobicContact CD1-CG 4.46Å; L464-L500 HydrophobicContact CD1-CD2 3.9Å; L464-L503 HydrophobicContact CB-CD2 3.92Å |
| 465 | S | 84.6 | Confident | 81.2 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -52 | 179.3 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | Y460 T461 F467 T468 E469 | Y460-S465 VanDerWaalsContact O-CB 3.28Å; Y460-S465 WeakPolarHBondContact O-CB 3.19Å; Y460-S465 PolarHBondContact O-N 2.85Å; Y460-S465 PolarHBondContact O-OG 3.44Å; T461-S465 PolarHBondContact O-OG 2.93Å; S465-F467 PolarHBondContact O-N 3.03Å; S465-T468 PolarHBondContact O-N 3.47Å; S465-T468 PolarHBondContact O-OG1 3.16Å; S465-E469 WeakPolarHBondContact O-CG 3.39Å; S465-E469 PolarHBondContact O-N 3.02Å |
| 466 | S | 80.9 | Confident | 81.1 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -30.6 | 178.7 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 467 | F | 81.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.7 | -39.6 | 177.2 | 175.3 | -117.2 | 0 | 0 | 0 | 112.3 | L397 V463 L464 S465 E469 K470 V473 F477 I478 V481 | L397-F467 HydrophobicContact CB-CD2 3.74Å; L397-F467 HydrophobicContact CB-CE2 3.77Å; L397-F467 HydrophobicContact CB-CG 4.25Å; L397-F467 HydrophobicContact CB-CZ 4.29Å; L397-F467 HydrophobicContact CD1-CD1 4.25Å; L397-F467 HydrophobicContact CD1-CG 4.24Å; L397-F467 HydrophobicContact CD2-CZ 4.48Å; L397-F467 WeakPolarHBondContact O-CE2 3.38Å; V463-F467 WeakPolarHBondContact O-CB 3.18Å; V463-F467 PolarHBondContact O-N 3.06Å; V463-F467 VanDerWaalsContact O-N 3.14Å; L464-F467 PolarHBondContact O-N 3.35Å; S465-F467 PolarHBondContact O-N 3.03Å; F467-E469 VanDerWaalsContact C-N 3.3Å; F467-E469 PolarHBondContact O-N 3.44Å; F467-K470 PolarHBondContact O-N 2.82Å; F467-V473 HydrophobicContact CE2-CB 4.37Å; F467-V473 HydrophobicContact CE2-CG1 3.91Å; F467-V473 HydrophobicContact CE2-CG2 3.99Å; F467-V473 HydrophobicContact CZ-CG1 3.93Å; F467-F477 HydrophobicContact CE2-CE1 4.49Å; F467-F477 AromaticContact CZ-CD1 3.85Å; F467-F477 HydrophobicContact CZ-CD1 3.85Å; F467-F477 AromaticContact CZ-CE1 3.92Å; F467-F477 HydrophobicContact CZ-CE1 3.92Å; F467-I478 HydrophobicContact CD1-CG2 4.41Å; F467-I478 HydrophobicContact CE1-CB 4.18Å; F467-I478 HydrophobicContact CE1-CG1 3.97Å; F467-I478 HydrophobicContact CE1-CG2 4.15Å; F467-I478 HydrophobicContact CZ-CG1 4.03Å; F467-V481 HydrophobicContact CE1-CB 4.17Å; F467-V481 HydrophobicContact CE1-CG1 4.22Å; F467-V481 HydrophobicContact CE1-CG2 4.38Å |
| 468 | T | 78 | Confident | 80.7 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.5 | -22.7 | -179.7 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | L464 S465 I478 L482 L503 | L464-T468 WeakPolarHBondContact O-CG2 3.28Å; L464-T468 PolarHBondContact O-N 3.35Å; L464-T468 PolarHBondContact O-OG1 3.41Å; S465-T468 PolarHBondContact O-N 3.47Å; S465-T468 PolarHBondContact O-OG1 3.16Å; T468-I478 HydrophobicContact CG2-CG2 3.8Å; T468-L482 HydrophobicContact CG2-CD1 4.12Å; T468-L503 HydrophobicContact CG2-CD1 4.06Å; T468-L503 HydrophobicContact CG2-CD2 4.02Å; T468-L503 HydrophobicContact CG2-CG 4.03Å |
| 469 | E | 77.9 | Confident | 80.6 | Confident | 156 Ų | 156 | 61 Ų | 61 | 73% | 0.729 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -16.7 | -178.8 | -70.2 | 177.4 | -179.3 | 0 | 0 | 113.4 | S465 F467 | S465-E469 WeakPolarHBondContact O-CG 3.39Å; S465-E469 PolarHBondContact O-N 3.02Å; F467-E469 VanDerWaalsContact C-N 3.3Å; F467-E469 PolarHBondContact O-N 3.44Å |
| 470 | K | 70.8 | Confident | 80.6 | Confident | 104 Ų | 104 | 62.3 Ų | 62.3 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | trans | -82.8 | 131.1 | -176.1 | -74.8 | -174.9 | -178.5 | 176.7 | 0 | 112.6 | F467 D472 | F467-K470 PolarHBondContact O-N 2.82Å; K470-D472 PolarHBondContact O-N 2.96Å | ||
| 471 | K | 62.8 | Low | 80.6 | Confident | 196 Ų | 196 | 59.5 Ų | 59.5 | 85% | 0.852 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.1 | -177 | -64.5 | -176 | 179.6 | 179.6 | 0 | 114.9 | V473 | K471-V473 VanDerWaalsContact C-N 3.33Å; K471-V473 PolarHBondContact O-N 2.96Å |
| 472 | D | 66.4 | Low | 80.7 | Confident | 149 Ų | 149 | 56 Ų | 56 | 80% | 0.797 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0 | -172.6 | -64.3 | -32.1 | 0 | 0 | 0 | 114.5 | K470 | K470-D472 PolarHBondContact O-N 2.96Š|
| 473 | V | 72.8 | Confident | 81 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -110.2 | 139.1 | -176.9 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | F467 K471 H475 F477 I478 | F467-V473 HydrophobicContact CE2-CB 4.37Å; F467-V473 HydrophobicContact CE2-CG1 3.91Å; F467-V473 HydrophobicContact CE2-CG2 3.99Å; F467-V473 HydrophobicContact CZ-CG1 3.93Å; K471-V473 VanDerWaalsContact C-N 3.33Å; K471-V473 PolarHBondContact O-N 2.96Å; V473-H475 PolarHBondContact O-N 3.3Å; V473-F477 HydrophobicContact CG1-CB 4.37Å; V473-F477 HydrophobicContact CG1-CD1 3.69Å; V473-I478 HydrophobicContact CB-CD1 4.24Å; V473-I478 HydrophobicContact CB-CG1 4.19Å; V473-I478 HydrophobicContact CG1-CD1 4.48Å; V473-I478 HydrophobicContact CG1-CG1 3.9Å |
| 474 | S | 80.8 | Confident | 81.1 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | trans | -59.3 | 125.5 | 175 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | K476 F477 I478 | S474-K476 PolarHBondContact O-N 2.87Å; S474-K476 VanDerWaalsContact O-N 3.11Å; S474-F477 WeakPolarHBondContact O-CA 3.39Å; S474-F477 WeakPolarHBondContact O-CB 3.43Å; S474-F477 PolarHBondContact O-N 3.23Å; S474-I478 PolarHBondContact O-N 3.3Å; S474-I478 VanDerWaalsContact O-N 3.12Å | ||
| 475 | H | 80.3 | Confident | 81.3 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.5 | -32.9 | 177.3 | 57.7 | -93.2 | 0 | 0 | 0 | 112.7 | V473 F477 I478 I479 H511 | V473-H475 PolarHBondContact O-N 3.3Å; H475-F477 VanDerWaalsContact C-N 3.32Å; H475-F477 PolarHBondContact O-N 2.73Å; H475-I478 PolarHBondContact O-N 3.03Å; H475-I479 WeakPolarHBondContact O-CD1 2.93Å; H475-I479 VanDerWaalsContact O-CG1 3.32Å; H475-I479 WeakPolarHBondContact O-CG1 3.5Å; H475-I479 PolarHBondContact O-N 2.87Å; H475-I479 VanDerWaalsContact O-N 3.08Å; H475-H511 HydrophobicContact CB-CB 4.36Å |
| 476 | K | 83.6 | Confident | 81.6 | Confident | 152 Ų | 152 | 54.7 Ų | 54.7 | 66% | 0.661 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 175.3 | -66.1 | -173.8 | 179.9 | 178.6 | 0 | 112.1 | S474 A480 | S474-K476 PolarHBondContact O-N 2.87Å; S474-K476 VanDerWaalsContact O-N 3.11Å; K476-A480 WeakPolarHBondContact O-CB 3.32Å; K476-A480 PolarHBondContact O-N 3.03Å |
| 477 | F | 84.6 | Confident | 82.1 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.3 | -39.7 | 178 | -175.6 | -107.7 | 0 | 0 | 0 | 111.2 | F467 V473 S474 H475 I479 A480 V481 | F467-F477 HydrophobicContact CE2-CE1 4.49Å; F467-F477 AromaticContact CZ-CD1 3.85Å; F467-F477 HydrophobicContact CZ-CD1 3.85Å; F467-F477 AromaticContact CZ-CE1 3.92Å; F467-F477 HydrophobicContact CZ-CE1 3.92Å; V473-F477 HydrophobicContact CG1-CB 4.37Å; V473-F477 HydrophobicContact CG1-CD1 3.69Å; S474-F477 WeakPolarHBondContact O-CA 3.39Å; S474-F477 WeakPolarHBondContact O-CB 3.43Å; S474-F477 PolarHBondContact O-N 3.23Å; H475-F477 VanDerWaalsContact C-N 3.32Å; H475-F477 PolarHBondContact O-N 2.73Å; F477-I479 VanDerWaalsContact C-N 3.35Å; F477-I479 PolarHBondContact O-N 3.11Å; F477-A480 PolarHBondContact O-N 3.13Å; F477-V481 HydrophobicContact CD1-CG2 4.2Å; F477-V481 HydrophobicContact CD2-CG2 4.44Å; F477-V481 HydrophobicContact CE1-CG2 3.84Å; F477-V481 HydrophobicContact CE2-CG2 4.09Å; F477-V481 HydrophobicContact CG-CG2 4.49Å; F477-V481 HydrophobicContact CZ-CG2 3.78Å; F477-V481 WeakPolarHBondContact O-CG2 3.45Å; F477-V481 PolarHBondContact O-N 3.24Å |
| 478 | I | 85.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 175.3 | -60.3 | 174.6 | 0 | 0 | 0 | 110.6 | F467 T468 V473 S474 H475 A480 V481 L482 T507 | F467-I478 HydrophobicContact CD1-CG2 4.41Å; F467-I478 HydrophobicContact CE1-CB 4.18Å; F467-I478 HydrophobicContact CE1-CG1 3.97Å; F467-I478 HydrophobicContact CE1-CG2 4.15Å; F467-I478 HydrophobicContact CZ-CG1 4.03Å; T468-I478 HydrophobicContact CG2-CG2 3.8Å; V473-I478 HydrophobicContact CB-CD1 4.24Å; V473-I478 HydrophobicContact CB-CG1 4.19Å; V473-I478 HydrophobicContact CG1-CD1 4.48Å; V473-I478 HydrophobicContact CG1-CG1 3.9Å; S474-I478 PolarHBondContact O-N 3.3Å; S474-I478 VanDerWaalsContact O-N 3.12Å; H475-I478 PolarHBondContact O-N 3.03Å; I478-A480 PolarHBondContact O-N 2.79Å; I478-V481 PolarHBondContact O-N 2.81Å; I478-L482 HydrophobicContact CG2-CD1 4.19Å; I478-L482 WeakPolarHBondContact O-CG 3.29Å; I478-L482 PolarHBondContact O-N 3.22Å; I478-T507 HydrophobicContact CG2-CG2 3.93Å |
| 479 | I | 85.9 | Confident | 83.2 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 178.1 | -64 | 159.7 | 0 | 0 | 0 | 110.6 | H475 F477 V481 L482 M483 T507 L508 L513 M516 F520 | H475-I479 WeakPolarHBondContact O-CD1 2.93Å; H475-I479 VanDerWaalsContact O-CG1 3.32Å; H475-I479 WeakPolarHBondContact O-CG1 3.5Å; H475-I479 PolarHBondContact O-N 2.87Å; H475-I479 VanDerWaalsContact O-N 3.08Å; F477-I479 VanDerWaalsContact C-N 3.35Å; F477-I479 PolarHBondContact O-N 3.11Å; I479-V481 VanDerWaalsContact C-N 3.34Å; I479-V481 PolarHBondContact O-N 3.27Å; I479-L482 PolarHBondContact O-N 2.95Å; I479-M483 HydrophobicContact CG2-CG 4.1Å; I479-M483 WeakPolarHBondContact O-CB 3.26Å; I479-M483 VanDerWaalsContact O-CG 3.25Å; I479-M483 WeakPolarHBondContact O-CG 3.48Å; I479-M483 PolarHBondContact O-N 2.87Å; I479-T507 HydrophobicContact CG1-CG2 4.37Å; I479-L508 HydrophobicContact CD1-CD2 3.56Å; I479-L508 HydrophobicContact CG1-CD2 4.16Å; I479-L513 HydrophobicContact CD1-CD1 3.48Å; I479-L513 VanDerWaalsContact CD1-CD1 3.48Å; I479-M516 HydrophobicContact CD1-SD 4.18Å; I479-M516 HydrophobicContact CG2-SD 3.9Å; I479-F520 HydrophobicContact CG2-CE2 4.35Å |
| 480 | A | 86.8 | Confident | 83.8 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 24% | 0.24 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L405 K476 F477 I478 M483 E484 | L405-A480 HydrophobicContact CD1-CB 4.14Å; L405-A480 HydrophobicContact CD2-CB 4.08Å; K476-A480 WeakPolarHBondContact O-CB 3.32Å; K476-A480 PolarHBondContact O-N 3.03Å; F477-A480 PolarHBondContact O-N 3.13Å; I478-A480 PolarHBondContact O-N 2.79Å; A480-M483 PolarHBondContact O-N 2.9Å; A480-E484 VanDerWaalsContact O-CB 3.27Å; A480-E484 WeakPolarHBondContact O-CB 3.46Å; A480-E484 PolarHBondContact O-N 3.15Å |
| 481 | V | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | L397 L405 V408 F412 F467 F477 I478 I479 M483 E484 Y485 | L397-V481 HydrophobicContact CD1-CG1 4.06Å; L397-V481 HydrophobicContact CD2-CB 4.46Å; L397-V481 HydrophobicContact CD2-CG1 3.71Å; L397-V481 HydrophobicContact CD2-CG2 3.87Å; L405-V481 HydrophobicContact CD1-CG2 4.19Å; V408-V481 HydrophobicContact CG1-CG1 4.44Å; F412-V481 HydrophobicContact CE2-CG1 3.99Å; F412-V481 HydrophobicContact CZ-CG1 4.11Å; F467-V481 HydrophobicContact CE1-CB 4.17Å; F467-V481 HydrophobicContact CE1-CG1 4.22Å; F467-V481 HydrophobicContact CE1-CG2 4.38Å; F477-V481 HydrophobicContact CD1-CG2 4.2Å; F477-V481 HydrophobicContact CD2-CG2 4.44Å; F477-V481 HydrophobicContact CE1-CG2 3.84Å; F477-V481 HydrophobicContact CE2-CG2 4.09Å; F477-V481 HydrophobicContact CG-CG2 4.49Å; F477-V481 HydrophobicContact CZ-CG2 3.78Å; F477-V481 WeakPolarHBondContact O-CG2 3.45Å; F477-V481 PolarHBondContact O-N 3.24Å; I478-V481 PolarHBondContact O-N 2.81Å; I479-V481 VanDerWaalsContact C-N 3.34Å; I479-V481 PolarHBondContact O-N 3.27Å; V481-M483 VanDerWaalsContact C-N 3.33Å; V481-M483 PolarHBondContact O-N 3.04Å; V481-E484 PolarHBondContact O-N 2.75Å; V481-Y485 PolarHBondContact O-N 3.43Å |
| 482 | L | 89.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.1 | -69.5 | 173.2 | 0 | 0 | 0 | 111.4 | L464 T468 I478 I479 E484 Y485 I486 L503 V504 | L464-L482 HydrophobicContact CB-CD2 4.26Å; L464-L482 HydrophobicContact CD1-CD2 4.13Å; L464-L482 HydrophobicContact CD2-CD2 3.99Å; L464-L482 HydrophobicContact CG-CD2 4.35Å; T468-L482 HydrophobicContact CG2-CD1 4.12Å; I478-L482 HydrophobicContact CG2-CD1 4.19Å; I478-L482 WeakPolarHBondContact O-CG 3.29Å; I478-L482 PolarHBondContact O-N 3.22Å; I479-L482 PolarHBondContact O-N 2.95Å; L482-E484 VanDerWaalsContact C-N 3.32Å; L482-E484 PolarHBondContact O-N 2.64Å; L482-Y485 PolarHBondContact O-N 2.5Å; L482-I486 WeakPolarHBondContact O-CG1 3.35Å; L482-I486 PolarHBondContact O-N 3.37Å; L482-L503 HydrophobicContact CD1-CG 4.45Å; L482-L503 HydrophobicContact CD2-CD2 3.81Å; L482-L503 HydrophobicContact CD2-CG 4.45Å; L482-V504 HydrophobicContact CB-CG2 3.88Å; L482-V504 HydrophobicContact CD1-CG2 4.02Å; L482-V504 HydrophobicContact CG-CG2 4.49Å |
| 483 | M | 89.1 | Confident | 87 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 176.7 | -71.7 | -49.7 | -52.9 | 0 | 0 | 112 | I479 A480 V481 I486 R487 V504 F520 V525 | I479-M483 HydrophobicContact CG2-CG 4.1Å; I479-M483 WeakPolarHBondContact O-CB 3.26Å; I479-M483 VanDerWaalsContact O-CG 3.25Å; I479-M483 WeakPolarHBondContact O-CG 3.48Å; I479-M483 PolarHBondContact O-N 2.87Å; A480-M483 PolarHBondContact O-N 2.9Å; V481-M483 VanDerWaalsContact C-N 3.33Å; V481-M483 PolarHBondContact O-N 3.04Å; M483-I486 PolarHBondContact O-N 2.93Å; M483-I486 HydrophobicContact SD-CD1 4.34Å; M483-R487 VanDerWaalsContact O-CB 3.23Å; M483-R487 WeakPolarHBondContact O-CB 3.49Å; M483-R487 PolarHBondContact O-N 2.86Å; M483-V504 HydrophobicContact SD-CG1 4.46Å; M483-F520 HydrophobicContact CG-CE2 4.24Å; M483-F520 HydrophobicContact CG-CZ 4.22Å; M483-F520 HydrophobicContact SD-CD2 4.4Å; M483-F520 HydrophobicContact SD-CE2 3.84Å; M483-F520 HydrophobicContact SD-CZ 4.19Å; M483-V525 HydrophobicContact CE-CG1 3.33Å |
| 484 | E | 88.6 | Confident | 87.7 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 176.6 | -161.6 | 62.4 | -155.9 | 0 | 0 | 111.6 | L405 A409 A480 V481 L482 R487 S488 | L405-E484 HydrophobicContact CD1-CB 4.36Å; L405-E484 HydrophobicContact CD1-CG 4.46Å; A409-E484 HydrophobicContact CB-CG 3.61Å; A409-E484 WeakPolarHBondContact CB-OE1 3.39Å; A480-E484 VanDerWaalsContact O-CB 3.27Å; A480-E484 WeakPolarHBondContact O-CB 3.46Å; A480-E484 PolarHBondContact O-N 3.15Å; V481-E484 PolarHBondContact O-N 2.75Å; L482-E484 VanDerWaalsContact C-N 3.32Å; L482-E484 PolarHBondContact O-N 2.64Å; E484-R487 VanDerWaalsContact CD-NE 3.27Å; E484-R487 WeakPolarHBondContact O-CB 3.44Å; E484-R487 PolarHBondContact O-N 3.21Å; E484-R487 IonicContact OE1-CZ 2.8Å; E484-R487 IonicContact OE1-NE 3.97Å; E484-R487 PolarHBondContact OE1-NE 2.8Å; E484-R487 IonicContact OE1-NH2 2.67Å; E484-R487 PolarHBondContact OE1-NH2 3.29Å; E484-R487 IonicContact OE2-NE 2.79Å; E484-R487 PolarHBondContact OE2-NE 3.41Å; E484-S488 WeakPolarHBondContact O-CB 3.37Å; E484-S488 PolarHBondContact O-N 2.91Å |
| 485 | Y | 90.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 174.5 | -174.9 | -114.3 | 0 | 0 | 0 | 111.9 | F412 M459 L464 V481 L482 S488 L489 L500 | F412-Y485 HydrophobicContact CB-CD2 4.24Å; F412-Y485 HydrophobicContact CD1-CD2 4.07Å; F412-Y485 AromaticContact CD2-CD2 3.98Å; F412-Y485 HydrophobicContact CD2-CD2 3.98Å; F412-Y485 HydrophobicContact CD2-CG 4.43Å; F412-Y485 HydrophobicContact CE1-CD2 4.38Å; F412-Y485 HydrophobicContact CE2-CD2 4.29Å; F412-Y485 HydrophobicContact CE2-CG 4.48Å; F412-Y485 AromaticContact CG-CD2 3.86Å; F412-Y485 HydrophobicContact CG-CD2 3.86Å; F412-Y485 HydrophobicContact CZ-CD2 4.48Å; M459-Y485 HydrophobicContact CE-CE2 4.49Å; M459-Y485 HydrophobicContact CG-CD2 4.41Å; M459-Y485 HydrophobicContact CG-CE1 4.21Å; M459-Y485 HydrophobicContact CG-CE2 3.89Å; L464-Y485 HydrophobicContact CD1-CD1 3.9Å; L464-Y485 HydrophobicContact CD1-CE1 4.21Å; L464-Y485 HydrophobicContact CD1-CG 4.46Å; V481-Y485 PolarHBondContact O-N 3.43Å; L482-Y485 PolarHBondContact O-N 2.5Å; Y485-S488 WeakPolarHBondContact O-CB 3.46Å; Y485-S488 PolarHBondContact O-N 2.97Å; Y485-L489 HydrophobicContact CD1-CD1 4.02Å; Y485-L489 HydrophobicContact CE1-CD1 3.6Å; Y485-L489 HydrophobicContact CE1-CG 4.33Å; Y485-L489 WeakPolarHBondContact O-CG 3.39Å; Y485-L489 PolarHBondContact O-N 2.95Å; Y485-L500 HydrophobicContact CD1-CD1 4.26Å; Y485-L500 HydrophobicContact CD1-CD2 4.36Å; Y485-L500 HydrophobicContact CE1-CD1 3.78Å; Y485-L500 HydrophobicContact CE1-CD2 4.12Å |
| 486 | I | 90 | Very high | 88.3 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.1 | -68.5 | 166.5 | 0 | 0 | 0 | 110.8 | L482 M483 S488 L489 N490 V496 Y501 V504 | L482-I486 WeakPolarHBondContact O-CG1 3.35Å; L482-I486 PolarHBondContact O-N 3.37Å; M483-I486 PolarHBondContact O-N 2.93Å; M483-I486 HydrophobicContact SD-CD1 4.34Å; I486-S488 VanDerWaalsContact C-N 3.31Å; I486-S488 PolarHBondContact O-N 2.92Å; I486-L489 PolarHBondContact O-N 2.84Å; I486-N490 WeakPolarHBondContact O-CB 3.4Å; I486-N490 PolarHBondContact O-N 2.86Å; I486-N490 PolarHBondContact O-ND2 2.84Å; I486-V496 HydrophobicContact CG1-CG1 4.4Å; I486-V496 HydrophobicContact CG2-CG2 4.38Å; I486-Y501 HydrophobicContact CD1-CD1 3.91Å; I486-Y501 HydrophobicContact CD1-CE1 3.94Å; I486-Y501 HydrophobicContact CG1-CE1 4.37Å; I486-Y501 HydrophobicContact CG2-CE1 3.97Å; I486-V504 HydrophobicContact CD1-CG2 3.79Å |
| 487 | R | 92.3 | Very high | 88.5 | Confident | 83 Ų | 83 | 40.1 Ų | 40.1 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 175.7 | -175 | -159.2 | 65.2 | 63.7 | 0.3 | 110.5 | D413 M483 E484 N490 Q491 | D413-R487 IonicContact OD1-CZ 3.11Å; D413-R487 IonicContact OD1-NH1 3.53Å; D413-R487 IonicContact OD1-NH2 3.84Å; D413-R487 PolarHBondContact OD1-NH2 3.17Å; D413-R487 IonicContact OD2-NH2 3.27Å; D413-R487 PolarHBondContact OD2-NH2 2.93Å; D413-R487 VanDerWaalsContact OD2-NH2 3.08Å; M483-R487 VanDerWaalsContact O-CB 3.23Å; M483-R487 WeakPolarHBondContact O-CB 3.49Å; M483-R487 PolarHBondContact O-N 2.86Å; E484-R487 VanDerWaalsContact CD-NE 3.27Å; E484-R487 WeakPolarHBondContact O-CB 3.44Å; E484-R487 PolarHBondContact O-N 3.21Å; E484-R487 IonicContact OE1-CZ 2.8Å; E484-R487 IonicContact OE1-NE 3.97Å; E484-R487 PolarHBondContact OE1-NE 2.8Å; E484-R487 IonicContact OE1-NH2 2.67Å; E484-R487 PolarHBondContact OE1-NH2 3.29Å; E484-R487 IonicContact OE2-NE 2.79Å; E484-R487 PolarHBondContact OE2-NE 3.41Å; R487-N490 PolarHBondContact O-N 2.89Å; R487-Q491 WeakPolarHBondContact O-CB 3.22Å; R487-Q491 PolarHBondContact O-N 2.84Å |
| 488 | S | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | F412 D413 N416 E484 Y485 I486 N490 Q491 V492 | F412-S488 VanDerWaalsContact C-OG 3.23Å; F412-S488 PolarHBondContact O-OG 3.44Å; D413-S488 VanDerWaalsContact CA-OG 3.24Å; D413-S488 WeakPolarHBondContact CA-OG 3.49Å; D413-S488 PolarHBondContact N-OG 2.84Å; D413-S488 WeakPolarHBondContact OD1-CA 3.46Å; D413-S488 WeakPolarHBondContact OD1-CB 3.28Å; D413-S488 PolarHBondContact OD1-OG 2.94Å; N416-S488 WeakPolarHBondContact ND2-CB 3.3Å; N416-S488 PolarHBondContact ND2-OG 3.39Å; E484-S488 WeakPolarHBondContact O-CB 3.37Å; E484-S488 PolarHBondContact O-N 2.91Å; Y485-S488 WeakPolarHBondContact O-CB 3.46Å; Y485-S488 PolarHBondContact O-N 2.97Å; I486-S488 VanDerWaalsContact C-N 3.31Å; I486-S488 PolarHBondContact O-N 2.92Å; S488-N490 VanDerWaalsContact C-N 3.35Å; S488-N490 PolarHBondContact O-N 2.81Å; S488-Q491 PolarHBondContact O-N 3.48Å; S488-V492 WeakPolarHBondContact O-CB 3.42Å; S488-V492 VanDerWaalsContact O-CG2 3.32Å; S488-V492 WeakPolarHBondContact O-CG2 3.49Å; S488-V492 PolarHBondContact O-N 3.24Å |
| 489 | L | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 175.4 | -72.3 | 170.8 | 0 | 0 | 0 | 112.1 | N416 Q456 Y485 I486 V492 Q493 I494 V496 L500 | N416-L489 HydrophobicContact CB-CD2 4.42Å; N416-L489 WeakPolarHBondContact OD1-CD2 3.33Å; Q456-L489 HydrophobicContact CG-CD1 4.12Å; Q456-L489 HydrophobicContact CG-CD2 4.08Å; Y485-L489 HydrophobicContact CD1-CD1 4.02Å; Y485-L489 HydrophobicContact CE1-CD1 3.6Å; Y485-L489 HydrophobicContact CE1-CG 4.33Å; Y485-L489 WeakPolarHBondContact O-CG 3.39Å; Y485-L489 PolarHBondContact O-N 2.95Å; I486-L489 PolarHBondContact O-N 2.84Å; L489-V492 CarbonylContact O-C 3.35Å; L489-V492 PolarHBondContact O-N 2.81Å; L489-Q493 PolarHBondContact O-N 2.8Å; L489-I494 HydrophobicContact CD2-CB 4.05Å; L489-I494 HydrophobicContact CD2-CD1 4.17Å; L489-I494 HydrophobicContact CD2-CG2 3.99Å; L489-I494 PolarHBondContact O-N 3.1Å; L489-V496 HydrophobicContact CB-CG2 3.93Å; L489-V496 HydrophobicContact CD1-CG1 4.37Å; L489-V496 HydrophobicContact CD1-CG2 4.1Å; L489-L500 HydrophobicContact CD1-CD1 3.88Å |
| 490 | N | 89.6 | Confident | 88.8 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 178.5 | -76 | -26.4 | 0 | 0 | 0 | 112.5 | I486 R487 S488 V492 Q493 | I486-N490 WeakPolarHBondContact O-CB 3.4Å; I486-N490 PolarHBondContact O-N 2.86Å; I486-N490 PolarHBondContact O-ND2 2.84Å; R487-N490 PolarHBondContact O-N 2.89Å; S488-N490 VanDerWaalsContact C-N 3.35Å; S488-N490 PolarHBondContact O-N 2.81Å; N490-V492 VanDerWaalsContact C-N 3.27Å; N490-V492 PolarHBondContact O-N 2.86Å; N490-Q493 PolarHBondContact O-N 2.89Å |
| 491 | Q | 90.3 | Very high | 88.9 | Confident | 122 Ų | 122 | 42.5 Ų | 42.5 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.4 | -41.3 | 175.8 | 177.4 | 178.2 | -8.6 | 0 | 0 | 111.2 | R487 S488 Q493 | R487-Q491 WeakPolarHBondContact O-CB 3.22Å; R487-Q491 PolarHBondContact O-N 2.84Å; S488-Q491 PolarHBondContact O-N 3.48Å; Q491-Q493 PolarHBondContact O-N 2.88Å |
| 492 | V | 88.9 | Confident | 88.9 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -2.5 | 178.1 | -178 | 0 | 0 | 0 | 0 | 111.2 | N416 K420 S488 L489 N490 I494 | N416-V492 HydrophobicContact CB-CG2 4.22Å; K420-V492 HydrophobicContact CB-CG1 3.46Å; K420-V492 VanDerWaalsContact CB-CG1 3.46Å; K420-V492 HydrophobicContact CD-CG1 3.46Å; K420-V492 VanDerWaalsContact CD-CG1 3.46Å; K420-V492 WeakPolarHBondContact CD-O 3.48Å; K420-V492 WeakPolarHBondContact CE-O 3.5Å; K420-V492 HydrophobicContact CG-CG1 4.06Å; K420-V492 PolarHBondContact NZ-O 3.33Å; S488-V492 WeakPolarHBondContact O-CB 3.42Å; S488-V492 VanDerWaalsContact O-CG2 3.32Å; S488-V492 WeakPolarHBondContact O-CG2 3.49Å; S488-V492 PolarHBondContact O-N 3.24Å; L489-V492 CarbonylContact O-C 3.35Å; L489-V492 PolarHBondContact O-N 2.81Å; N490-V492 VanDerWaalsContact C-N 3.27Å; N490-V492 PolarHBondContact O-N 2.86Å; V492-I494 VanDerWaalsContact C-N 3.32Å; V492-I494 HydrophobicContact CB-CD1 4.33Å; V492-I494 HydrophobicContact CG1-CD1 3.77Å; V492-I494 HydrophobicContact CG1-CG1 4.15Å; V492-I494 PolarHBondContact O-N 3.29Å |
| 493 | Q | 87.8 | Confident | 88.8 | Confident | 159 Ų | 159 | 45.5 Ų | 45.5 | 74% | 0.743 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 31.9 | -179.8 | -51.4 | 174.1 | -41.7 | 0 | 0 | 114 | L489 N490 Q491 | L489-Q493 PolarHBondContact O-N 2.8Å; N490-Q493 PolarHBondContact O-N 2.89Å; Q491-Q493 PolarHBondContact O-N 2.88Å |
| 494 | I | 88 | Confident | 88.7 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -89.7 | 134.3 | 171.4 | -65.1 | 162.6 | 0 | 0 | 0 | 108.6 | N416 F419 K420 L423 L489 V492 V496 | N416-I494 HydrophobicContact CB-CD1 4.39Å; N416-I494 WeakPolarHBondContact O-CD1 3.4Å; F419-I494 HydrophobicContact CD1-CD1 3.75Å; F419-I494 HydrophobicContact CE1-CD1 4.43Å; F419-I494 HydrophobicContact CE1-CG2 4.19Å; F419-I494 HydrophobicContact CG-CD1 4.46Å; K420-I494 HydrophobicContact CB-CD1 4.12Å; K420-I494 HydrophobicContact CB-CG1 4.41Å; L423-I494 HydrophobicContact CD1-CG1 4.36Å; L489-I494 HydrophobicContact CD2-CB 4.05Å; L489-I494 HydrophobicContact CD2-CD1 4.17Å; L489-I494 HydrophobicContact CD2-CG2 3.99Å; L489-I494 PolarHBondContact O-N 3.1Å; V492-I494 VanDerWaalsContact C-N 3.32Å; V492-I494 HydrophobicContact CB-CD1 4.33Å; V492-I494 HydrophobicContact CG1-CD1 3.77Å; V492-I494 HydrophobicContact CG1-CG1 4.15Å; V492-I494 PolarHBondContact O-N 3.29Å; I494-V496 PolarHBondContact O-N 3.33Å |
| 495 | T | 85.9 | Confident | 88.6 | Confident | 113 Ų | 113 | 42.1 Ų | 42.1 | 69% | 0.693 | 20% | 0.204 | S | C | * | . | P | Polyproline II helix | trans | -66.7 | 121.5 | 176 | 50 | 0 | 0 | 0 | 0 | 110.5 | Q456 | Q456-T495 PolarHBondContact NE2-O 3.21Š|
| 496 | V | 87.9 | Confident | 88.4 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 128.3 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | I486 L489 I494 L500 Y501 | I486-V496 HydrophobicContact CG1-CG1 4.4Å; I486-V496 HydrophobicContact CG2-CG2 4.38Å; L489-V496 HydrophobicContact CB-CG2 3.93Å; L489-V496 HydrophobicContact CD1-CG1 4.37Å; L489-V496 HydrophobicContact CD1-CG2 4.1Å; I494-V496 PolarHBondContact O-N 3.33Å; V496-L500 HydrophobicContact CG1-CB 4.12Å; V496-L500 HydrophobicContact CG1-CD1 3.85Å; V496-Y501 HydrophobicContact CB-CE1 4.37Å; V496-Y501 HydrophobicContact CB-CE2 3.94Å; V496-Y501 WeakPolarHBondContact CB-OH 3.34Å; V496-Y501 HydrophobicContact CG1-CD1 4.35Å; V496-Y501 HydrophobicContact CG1-CD2 4.42Å; V496-Y501 HydrophobicContact CG1-CE1 3.81Å; V496-Y501 HydrophobicContact CG1-CE2 3.83Å |
| 497 | Q | 88.3 | Confident | 88.2 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -73.6 | 141.6 | 177.9 | -64.6 | -65.2 | -26 | 0 | 0 | 111.6 | Q456 Y499 L500 | Q456-Q497 HydrophobicContact CB-CG 4.49Å; Q497-Y499 VanDerWaalsContact C-N 3.25Å; Q497-Y499 HydrophobicContact CB-CD1 3.69Å; Q497-Y499 HydrophobicContact CB-CE1 3.19Å; Q497-Y499 HydrophobicContact CB-CE2 4.3Å; Q497-Y499 HydrophobicContact CB-CG 4.42Å; Q497-Y499 HydrophobicContact CG-CE1 3.74Å; Q497-Y499 PolarHBondContact O-N 3.19Å; Q497-Y499 VanDerWaalsContact O-N 3.15Å; Q497-L500 WeakPolarHBondContact O-CB 3.38Å; Q497-L500 PolarHBondContact O-N 3.26Å |
| 498 | H | 87.1 | Confident | 87.9 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 38% | 0.375 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.9 | -30.7 | -172.4 | 58.6 | -86.5 | 0 | 0 | 0 | 114.2 | L500 Y501 E502 | H498-L500 PolarHBondContact O-N 3.11Å; H498-Y501 PolarHBondContact O-N 3.42Å; H498-Y501 VanDerWaalsContact O-N 3.16Å; H498-E502 PolarHBondContact O-N 2.8Å |
| 499 | Y | 87.1 | Confident | 87.7 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -24 | 178.9 | 60.8 | -104.2 | 0 | 0 | 0 | 113.3 | Q456 S457 Y460 Q497 L503 | Q456-Y499 WeakPolarHBondContact CB-OH 3.25Å; Q456-Y499 PolarHBondContact O-OH 3.42Å; Q456-Y499 VanDerWaalsContact O-OH 3.09Å; S457-Y499 WeakPolarHBondContact CA-OH 3.19Å; S457-Y499 PolarHBondContact N-OH 2.81Å; S457-Y499 VanDerWaalsContact N-OH 3.12Å; Y460-Y499 HydrophobicContact CD1-CD2 4.31Å; Y460-Y499 AromaticContact CD2-CD2 3.6Å; Y460-Y499 HydrophobicContact CD2-CD2 3.6Å; Y460-Y499 AromaticContact CD2-CE2 3.98Å; Y460-Y499 HydrophobicContact CD2-CE2 3.98Å; Y460-Y499 AromaticContact CE2-CD2 3.95Å; Y460-Y499 HydrophobicContact CE2-CD2 3.95Å; Y460-Y499 AromaticContact CG-CD2 3.78Å; Y460-Y499 HydrophobicContact CG-CD2 3.78Å; Y460-Y499 AromaticContact CG-CE2 3.83Å; Y460-Y499 HydrophobicContact CG-CE2 3.83Å; Q497-Y499 VanDerWaalsContact C-N 3.25Å; Q497-Y499 HydrophobicContact CB-CD1 3.69Å; Q497-Y499 HydrophobicContact CB-CE1 3.19Å; Q497-Y499 HydrophobicContact CB-CE2 4.3Å; Q497-Y499 HydrophobicContact CB-CG 4.42Å; Q497-Y499 HydrophobicContact CG-CE1 3.74Å; Q497-Y499 PolarHBondContact O-N 3.19Å; Q497-Y499 VanDerWaalsContact O-N 3.15Å; Y499-L503 PolarHBondContact O-N 3.26Å; Y499-L503 VanDerWaalsContact O-N 3.1Å |
| 500 | L | 88.2 | Confident | 87.4 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 173.7 | -67.4 | 170.7 | 0 | 0 | 0 | 110.7 | Q456 Y460 L464 Y485 L489 V496 Q497 H498 L503 V504 | Q456-L500 HydrophobicContact CB-CD1 4.32Å; Q456-L500 HydrophobicContact CG-CD1 4.39Å; Q456-L500 VanDerWaalsContact OE1-CD1 3.25Å; Y460-L500 HydrophobicContact CD2-CD2 4.04Å; L464-L500 HydrophobicContact CD1-CD2 3.9Å; Y485-L500 HydrophobicContact CD1-CD1 4.26Å; Y485-L500 HydrophobicContact CD1-CD2 4.36Å; Y485-L500 HydrophobicContact CE1-CD1 3.78Å; Y485-L500 HydrophobicContact CE1-CD2 4.12Å; L489-L500 HydrophobicContact CD1-CD1 3.88Å; V496-L500 HydrophobicContact CG1-CB 4.12Å; V496-L500 HydrophobicContact CG1-CD1 3.85Å; Q497-L500 WeakPolarHBondContact O-CB 3.38Å; Q497-L500 PolarHBondContact O-N 3.26Å; H498-L500 PolarHBondContact O-N 3.11Å; L500-L503 WeakPolarHBondContact O-CB 3.49Å; L500-L503 PolarHBondContact O-N 3.19Å; L500-V504 PolarHBondContact O-N 3.01Å |
| 501 | Y | 88.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 174.1 | -61.8 | -44.6 | 0 | 0 | 0 | 111.8 | I486 V496 H498 L503 V504 I505 L526 S527 | I486-Y501 HydrophobicContact CD1-CD1 3.91Å; I486-Y501 HydrophobicContact CD1-CE1 3.94Å; I486-Y501 HydrophobicContact CG1-CE1 4.37Å; I486-Y501 HydrophobicContact CG2-CE1 3.97Å; V496-Y501 HydrophobicContact CB-CE1 4.37Å; V496-Y501 HydrophobicContact CB-CE2 3.94Å; V496-Y501 WeakPolarHBondContact CB-OH 3.34Å; V496-Y501 HydrophobicContact CG1-CD1 4.35Å; V496-Y501 HydrophobicContact CG1-CD2 4.42Å; V496-Y501 HydrophobicContact CG1-CE1 3.81Å; V496-Y501 HydrophobicContact CG1-CE2 3.83Å; H498-Y501 PolarHBondContact O-N 3.42Å; H498-Y501 VanDerWaalsContact O-N 3.16Å; Y501-L503 VanDerWaalsContact C-N 3.27Å; Y501-L503 PolarHBondContact O-N 2.68Å; Y501-V504 PolarHBondContact O-N 3.25Å; Y501-I505 WeakPolarHBondContact O-CG1 3.3Å; Y501-I505 PolarHBondContact O-N 2.61Å; Y501-L526 HydrophobicContact CD1-CB 4.14Å; Y501-L526 HydrophobicContact CD1-CD2 3.3Å; Y501-L526 HydrophobicContact CD1-CG 4.29Å; Y501-L526 HydrophobicContact CE1-CB 4.37Å; Y501-L526 HydrophobicContact CE1-CD2 3.81Å; Y501-L526 HydrophobicContact CG-CB 4.34Å; Y501-L526 HydrophobicContact CG-CD2 4.07Å; Y501-S527 PolarHBondContact OH-OG 2.8Å; Y501-S527 VanDerWaalsContact OH-OG 3.13Å |
| 502 | E | 87.6 | Confident | 86.7 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56 | -42.2 | 172.3 | 170.4 | 171.6 | -173.9 | 0 | 0 | 111.8 | H498 I505 K506 L535 | H498-E502 PolarHBondContact O-N 2.8Å; E502-I505 PolarHBondContact O-N 2.67Å; E502-K506 HydrophobicContact CG-CD 4.06Å; E502-K506 HydrophobicContact CG-CG 4.42Å; E502-K506 WeakPolarHBondContact O-CB 3.41Å; E502-K506 WeakPolarHBondContact O-CG 3.32Å; E502-K506 PolarHBondContact O-N 2.79Å; E502-K506 WeakPolarHBondContact OE1-CE 3.27Å; E502-K506 IonicContact OE1-NZ 3.14Å; E502-K506 PolarHBondContact OE1-NZ 2.76Å; E502-L535 HydrophobicContact CB-CD2 3.98Å; E502-L535 HydrophobicContact CG-CD2 3.71Å |
| 503 | L | 87 | Confident | 86.5 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.8 | -170.3 | 61.6 | 0 | 0 | 0 | 112.5 | Y460 L464 T468 L482 Y499 L500 Y501 T507 | Y460-L503 HydrophobicContact CD2-CD2 4.04Å; Y460-L503 HydrophobicContact CE2-CB 4.06Å; Y460-L503 HydrophobicContact CE2-CD1 4.38Å; Y460-L503 HydrophobicContact CE2-CD2 3.8Å; Y460-L503 HydrophobicContact CE2-CG 4.31Å; L464-L503 HydrophobicContact CB-CD2 3.92Å; T468-L503 HydrophobicContact CG2-CD1 4.06Å; T468-L503 HydrophobicContact CG2-CD2 4.02Å; T468-L503 HydrophobicContact CG2-CG 4.03Å; L482-L503 HydrophobicContact CD1-CG 4.45Å; L482-L503 HydrophobicContact CD2-CD2 3.81Å; L482-L503 HydrophobicContact CD2-CG 4.45Å; Y499-L503 PolarHBondContact O-N 3.26Å; Y499-L503 VanDerWaalsContact O-N 3.1Å; L500-L503 WeakPolarHBondContact O-CB 3.49Å; L500-L503 PolarHBondContact O-N 3.19Å; Y501-L503 VanDerWaalsContact C-N 3.27Å; Y501-L503 PolarHBondContact O-N 2.68Å; L503-T507 WeakPolarHBondContact O-CB 3.37Å; L503-T507 PolarHBondContact O-N 2.96Å; L503-T507 PolarHBondContact O-OG1 3.46Å |
| 504 | V | 87.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L482 M483 I486 L500 Y501 T507 L508 F520 L526 | L482-V504 HydrophobicContact CB-CG2 3.88Å; L482-V504 HydrophobicContact CD1-CG2 4.02Å; L482-V504 HydrophobicContact CG-CG2 4.49Å; M483-V504 HydrophobicContact SD-CG1 4.46Å; I486-V504 HydrophobicContact CD1-CG2 3.79Å; L500-V504 PolarHBondContact O-N 3.01Å; Y501-V504 PolarHBondContact O-N 3.25Å; V504-T507 PolarHBondContact O-N 2.86Å; V504-L508 HydrophobicContact CG1-CD1 3.87Å; V504-L508 HydrophobicContact CG1-CG 4.45Å; V504-L508 WeakPolarHBondContact O-CG 3.5Å; V504-L508 PolarHBondContact O-N 3Å; V504-F520 HydrophobicContact CG1-CD2 4.44Å; V504-F520 HydrophobicContact CG1-CE2 4.49Å; V504-L526 HydrophobicContact CG1-CD2 4.43Å |
| 505 | I | 86.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 179.4 | -65.4 | -172.7 | 0 | 0 | 0 | 110.9 | Y501 E502 T507 L508 V509 L517 L526 L532 L535 L536 L539 | Y501-I505 WeakPolarHBondContact O-CG1 3.3Å; Y501-I505 PolarHBondContact O-N 2.61Å; E502-I505 PolarHBondContact O-N 2.67Å; I505-T507 VanDerWaalsContact C-N 3.28Å; I505-T507 PolarHBondContact O-N 2.66Å; I505-L508 PolarHBondContact O-N 3.04Å; I505-V509 HydrophobicContact CG2-CG2 4.2Å; I505-V509 VanDerWaalsContact O-CG2 3.3Å; I505-V509 WeakPolarHBondContact O-CG2 3.35Å; I505-V509 PolarHBondContact O-N 3.39Å; I505-L517 HydrophobicContact CB-CD1 4.35Å; I505-L517 HydrophobicContact CD1-CD1 4.31Å; I505-L517 HydrophobicContact CG1-CD1 3.83Å; I505-L517 HydrophobicContact CG2-CD1 4.12Å; I505-L526 HydrophobicContact CD1-CD1 4.05Å; I505-L526 HydrophobicContact CG1-CD1 3.92Å; I505-L532 HydrophobicContact CD1-CD1 3.34Å; I505-L532 HydrophobicContact CD1-CD2 4.2Å; I505-L532 HydrophobicContact CD1-CG 3.77Å; I505-L532 HydrophobicContact CG1-CD1 4.29Å; I505-L535 HydrophobicContact CB-CD2 4.25Å; I505-L535 HydrophobicContact CG2-CD2 4.15Å; I505-L536 HydrophobicContact CD1-CD2 4.07Å; I505-L536 HydrophobicContact CD1-CG 4.37Å; I505-L536 HydrophobicContact CG2-CD2 4.45Å; I505-L539 HydrophobicContact CG2-CD1 3.58Å |
| 506 | K | 86.6 | Confident | 86.3 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 177.8 | -76 | -179.4 | -179.2 | 173.2 | 0 | 111.7 | E502 V509 H510 | E502-K506 HydrophobicContact CG-CD 4.06Å; E502-K506 HydrophobicContact CG-CG 4.42Å; E502-K506 WeakPolarHBondContact O-CB 3.41Å; E502-K506 WeakPolarHBondContact O-CG 3.32Å; E502-K506 PolarHBondContact O-N 2.79Å; E502-K506 WeakPolarHBondContact OE1-CE 3.27Å; E502-K506 IonicContact OE1-NZ 3.14Å; E502-K506 PolarHBondContact OE1-NZ 2.76Å; K506-V509 PolarHBondContact O-N 3.01Å; K506-H510 VanDerWaalsContact O-CB 3.27Å; K506-H510 WeakPolarHBondContact O-CB 3.3Å; K506-H510 PolarHBondContact O-N 2.85Å |
| 507 | T | 85.4 | Confident | 86.2 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | I478 I479 L503 V504 I505 H510 H511 | I478-T507 HydrophobicContact CG2-CG2 3.93Å; I479-T507 HydrophobicContact CG1-CG2 4.37Å; L503-T507 WeakPolarHBondContact O-CB 3.37Å; L503-T507 PolarHBondContact O-N 2.96Å; L503-T507 PolarHBondContact O-OG1 3.46Å; V504-T507 PolarHBondContact O-N 2.86Å; I505-T507 VanDerWaalsContact C-N 3.28Å; I505-T507 PolarHBondContact O-N 2.66Å; T507-H510 PolarHBondContact O-N 3.06Å; T507-H511 PolarHBondContact O-CD2 2.76Å; T507-H511 VanDerWaalsContact O-CD2 3.23Å; T507-H511 PolarHBondContact O-N 3.37Å |
| 508 | L | 85.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 178.4 | -73.1 | 169.4 | 0 | 0 | 0 | 112.6 | I479 V504 I505 H511 S512 L513 M516 L517 F520 | I479-L508 HydrophobicContact CD1-CD2 3.56Å; I479-L508 HydrophobicContact CG1-CD2 4.16Å; V504-L508 HydrophobicContact CG1-CD1 3.87Å; V504-L508 HydrophobicContact CG1-CG 4.45Å; V504-L508 WeakPolarHBondContact O-CG 3.5Å; V504-L508 PolarHBondContact O-N 3Å; I505-L508 PolarHBondContact O-N 3.04Å; L508-H511 PolarHBondContact O-N 3.44Å; L508-S512 PolarHBondContact O-N 3.27Å; L508-S512 VanDerWaalsContact O-N 3.14Å; L508-L513 HydrophobicContact CD2-CB 3.89Å; L508-L513 HydrophobicContact CD2-CD1 4.21Å; L508-L513 PolarHBondContact O-N 3.26Å; L508-M516 HydrophobicContact CD2-CB 4.2Å; L508-M516 HydrophobicContact CD2-CG 4.17Å; L508-M516 HydrophobicContact CD2-SD 3.67Å; L508-L517 HydrophobicContact CB-CB 4.42Å; L508-L517 HydrophobicContact CD1-CB 4.12Å; L508-L517 HydrophobicContact CD1-CD1 4.04Å; L508-F520 HydrophobicContact CD1-CD2 3.89Å; L508-F520 HydrophobicContact CD1-CE2 4.14Å |
| 509 | V | 86.2 | Confident | 86.1 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | I505 K506 H511 S512 L517 L539 | I505-V509 HydrophobicContact CG2-CG2 4.2Å; I505-V509 VanDerWaalsContact O-CG2 3.3Å; I505-V509 WeakPolarHBondContact O-CG2 3.35Å; I505-V509 PolarHBondContact O-N 3.39Å; K506-V509 PolarHBondContact O-N 3.01Å; V509-H511 PolarHBondContact O-N 3.44Å; V509-S512 PolarHBondContact O-N 3.47Å; V509-L517 HydrophobicContact CG2-CD2 4.13Å; V509-L539 HydrophobicContact CG1-CD2 3.98Å; V509-L539 HydrophobicContact CG2-CD1 3.86Å; V509-L539 HydrophobicContact CG2-CD2 4.14Å |
| 510 | H | 84.6 | Confident | 86.1 | Confident | 141 Ų | 141 | 47.2 Ų | 47.2 | 65% | 0.653 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -57.5 | -36.8 | 178.7 | 179.8 | -97.5 | 0 | 0 | 0 | 112.1 | K506 T507 | K506-H510 VanDerWaalsContact O-CB 3.27Å; K506-H510 WeakPolarHBondContact O-CB 3.3Å; K506-H510 PolarHBondContact O-N 2.85Å; T507-H510 PolarHBondContact O-N 3.06Å |
| 511 | H | 82.7 | Confident | 85.9 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8.3 | 176.7 | -67.6 | -64.5 | 0 | 0 | 0 | 114.6 | H475 T507 L508 V509 L513 | H475-H511 HydrophobicContact CB-CB 4.36Å; T507-H511 PolarHBondContact O-CD2 2.76Å; T507-H511 VanDerWaalsContact O-CD2 3.23Å; T507-H511 PolarHBondContact O-N 3.37Å; L508-H511 PolarHBondContact O-N 3.44Å; V509-H511 PolarHBondContact O-N 3.44Å; H511-L513 HydrophobicContact CB-CD1 4.15Å; H511-L513 HydrophobicContact CB-CG 4.21Å; H511-L513 PolarHBondContact O-N 2.76Å |
| 512 | S | 83.3 | Confident | 85.7 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 57% | 0.566 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 29.7 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 114.9 | L508 V509 F514 | L508-S512 PolarHBondContact O-N 3.27Å; L508-S512 VanDerWaalsContact O-N 3.14Å; V509-S512 PolarHBondContact O-N 3.47Å; S512-F514 VanDerWaalsContact C-N 3.27Å; S512-F514 WeakPolarHBondContact O-CD2 3.38Å; S512-F514 PolarHBondContact O-N 3.32Å; S512-F514 VanDerWaalsContact O-N 3.12Å |
| 513 | L | 85.2 | Confident | 85.6 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | trans | -88.7 | 54.2 | -179.3 | -66 | 172.1 | 0 | 0 | 0 | 112.1 | I479 L508 H511 Y515 M516 L517 | I479-L513 HydrophobicContact CD1-CD1 3.48Å; I479-L513 VanDerWaalsContact CD1-CD1 3.48Å; L508-L513 HydrophobicContact CD2-CB 3.89Å; L508-L513 HydrophobicContact CD2-CD1 4.21Å; L508-L513 PolarHBondContact O-N 3.26Å; H511-L513 HydrophobicContact CB-CD1 4.15Å; H511-L513 HydrophobicContact CB-CG 4.21Å; H511-L513 PolarHBondContact O-N 2.76Å; L513-Y515 VanDerWaalsContact C-N 3.3Å; L513-Y515 PolarHBondContact O-N 3.17Å; L513-M516 PolarHBondContact O-N 3.25Å; L513-L517 PolarHBondContact O-N 3.34Å | ||
| 514 | F | 85.5 | Confident | 85.4 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -30.8 | -172.5 | -58.6 | -67.5 | 0 | 0 | 0 | 114.3 | S512 L517 H518 Y543 | S512-F514 VanDerWaalsContact C-N 3.27Å; S512-F514 WeakPolarHBondContact O-CD2 3.38Å; S512-F514 PolarHBondContact O-N 3.32Å; S512-F514 VanDerWaalsContact O-N 3.12Å; F514-L517 PolarHBondContact O-N 2.8Å; F514-H518 WeakPolarHBondContact O-CB 3.33Å; F514-H518 PolarHBondContact O-N 2.83Å; F514-Y543 HydrophobicContact CB-CD2 3.82Å; F514-Y543 HydrophobicContact CB-CE2 3.69Å; F514-Y543 HydrophobicContact CD1-CD1 4.37Å; F514-Y543 AromaticContact CD1-CD2 3.64Å; F514-Y543 HydrophobicContact CD1-CD2 3.64Å; F514-Y543 HydrophobicContact CD1-CE2 4.34Å; F514-Y543 AromaticContact CD1-CG 3.67Å; F514-Y543 HydrophobicContact CD1-CG 3.67Å; F514-Y543 HydrophobicContact CE1-CD2 4.4Å; F514-Y543 HydrophobicContact CE1-CG 4.25Å; F514-Y543 AromaticContact CG-CD2 3.8Å; F514-Y543 HydrophobicContact CG-CD2 3.8Å; F514-Y543 HydrophobicContact CG-CE2 4.2Å; F514-Y543 HydrophobicContact CG-CG 4.31Å |
| 515 | Y | 85.8 | Confident | 85.1 | Confident | 175 Ų | 175 | 63.9 Ų | 63.9 | 69% | 0.686 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 176.5 | 178.4 | -99 | 0 | 0 | 0 | 111.9 | L513 H518 Q519 | L513-Y515 VanDerWaalsContact C-N 3.3Å; L513-Y515 PolarHBondContact O-N 3.17Å; Y515-H518 WeakPolarHBondContact O-CB 3.42Å; Y515-H518 PolarHBondContact O-N 3.43Å; Y515-Q519 HydrophobicContact CD1-CG 4.49Å; Y515-Q519 HydrophobicContact CE1-CG 4.13Å; Y515-Q519 WeakPolarHBondContact O-CG 3.5Å; Y515-Q519 PolarHBondContact O-N 2.94Å; Y515-Q519 PolarHBondContact OH-NE2 3.41Å |
| 516 | M | 85.1 | Confident | 84.9 | Confident | 57 Ų | 57 | 64 Ų | 64 | 28% | 0.281 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 178.8 | -171.6 | -176.6 | -58.7 | 0 | 0 | 111.2 | I479 L508 L513 H518 Q519 F520 | I479-M516 HydrophobicContact CD1-SD 4.18Å; I479-M516 HydrophobicContact CG2-SD 3.9Å; L508-M516 HydrophobicContact CD2-CB 4.2Å; L508-M516 HydrophobicContact CD2-CG 4.17Å; L508-M516 HydrophobicContact CD2-SD 3.67Å; L513-M516 PolarHBondContact O-N 3.25Å; M516-H518 VanDerWaalsContact C-N 3.33Å; M516-H518 PolarHBondContact O-N 2.86Å; M516-Q519 PolarHBondContact O-N 2.68Å; M516-F520 HydrophobicContact CG-CD1 4.34Å; M516-F520 HydrophobicContact CG-CD2 4.32Å; M516-F520 HydrophobicContact CG-CE1 3.85Å; M516-F520 HydrophobicContact CG-CE2 3.83Å; M516-F520 HydrophobicContact CG-CZ 3.57Å; M516-F520 WeakPolarHBondContact O-CG 3.46Å; M516-F520 PolarHBondContact O-N 2.79Å; M516-F520 HydrophobicContact SD-CE2 3.98Å; M516-F520 HydrophobicContact SD-CZ 3.75Å |
| 517 | L | 85.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 173.1 | 178.7 | 63.2 | 0 | 0 | 0 | 111.4 | I505 L508 V509 L513 F514 Q519 F520 L521 Y543 | I505-L517 HydrophobicContact CB-CD1 4.35Å; I505-L517 HydrophobicContact CD1-CD1 4.31Å; I505-L517 HydrophobicContact CG1-CD1 3.83Å; I505-L517 HydrophobicContact CG2-CD1 4.12Å; L508-L517 HydrophobicContact CB-CB 4.42Å; L508-L517 HydrophobicContact CD1-CB 4.12Å; L508-L517 HydrophobicContact CD1-CD1 4.04Å; V509-L517 HydrophobicContact CG2-CD2 4.13Å; L513-L517 PolarHBondContact O-N 3.34Å; F514-L517 PolarHBondContact O-N 2.8Å; L517-Q519 PolarHBondContact O-N 2.82Å; L517-F520 PolarHBondContact O-N 2.98Å; L517-L521 HydrophobicContact CD1-CD1 3.93Å; L517-L521 HydrophobicContact CD1-CG 4.38Å; L517-L521 HydrophobicContact CG-CD1 4.01Å; L517-L521 WeakPolarHBondContact O-CG 3.22Å; L517-L521 PolarHBondContact O-N 3.4Å; L517-L521 VanDerWaalsContact O-N 3.13Å; L517-Y543 HydrophobicContact CD2-CD1 4.31Å |
| 518 | H | 86.3 | Confident | 84.7 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 177.1 | -161.7 | 105.9 | 0 | 0 | 0 | 111.3 | F514 Y515 M516 F520 L521 Q522 Y543 | F514-H518 WeakPolarHBondContact O-CB 3.33Å; F514-H518 PolarHBondContact O-N 2.83Å; Y515-H518 WeakPolarHBondContact O-CB 3.42Å; Y515-H518 PolarHBondContact O-N 3.43Å; M516-H518 VanDerWaalsContact C-N 3.33Å; M516-H518 PolarHBondContact O-N 2.86Å; H518-F520 PolarHBondContact O-N 2.76Å; H518-L521 PolarHBondContact O-N 3.26Å; H518-Q522 VanDerWaalsContact O-CB 3.24Å; H518-Q522 WeakPolarHBondContact O-CB 3.23Å; H518-Q522 PolarHBondContact O-N 2.89Å; H518-Y543 WeakPolarHBondContact CB-OH 3.45Å; H518-Y543 PolarHBondContact ND1-OH 2.97Å |
| 519 | Q | 86.9 | Confident | 84.8 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 178.1 | -72.5 | -170.6 | -31.3 | 0 | 0 | 112.4 | Y515 M516 L517 L521 Q522 Y523 | Y515-Q519 HydrophobicContact CD1-CG 4.49Å; Y515-Q519 HydrophobicContact CE1-CG 4.13Å; Y515-Q519 WeakPolarHBondContact O-CG 3.5Å; Y515-Q519 PolarHBondContact O-N 2.94Å; Y515-Q519 PolarHBondContact OH-NE2 3.41Å; M516-Q519 PolarHBondContact O-N 2.68Å; L517-Q519 PolarHBondContact O-N 2.82Å; Q519-L521 VanDerWaalsContact C-N 3.29Å; Q519-L521 PolarHBondContact O-N 3.01Å; Q519-Q522 PolarHBondContact O-N 3.23Å; Q519-Y523 HydrophobicContact CB-CD2 4.17Å; Q519-Y523 HydrophobicContact CB-CE2 4.36Å; Q519-Y523 HydrophobicContact CG-CE2 4.38Å; Q519-Y523 WeakPolarHBondContact O-CB 3.26Å; Q519-Y523 WeakPolarHBondContact O-CD2 3.45Å; Q519-Y523 PolarHBondContact O-N 3.27Å |
| 520 | F | 86.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 67 Ų | 67 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | -179.8 | -72.5 | -5 | 0 | 0 | 0 | 112.7 | I479 M483 V504 L508 M516 L517 H518 H524 V525 L526 | I479-F520 HydrophobicContact CG2-CE2 4.35Å; M483-F520 HydrophobicContact CG-CE2 4.24Å; M483-F520 HydrophobicContact CG-CZ 4.22Å; M483-F520 HydrophobicContact SD-CD2 4.4Å; M483-F520 HydrophobicContact SD-CE2 3.84Å; M483-F520 HydrophobicContact SD-CZ 4.19Å; V504-F520 HydrophobicContact CG1-CD2 4.44Å; V504-F520 HydrophobicContact CG1-CE2 4.49Å; L508-F520 HydrophobicContact CD1-CD2 3.89Å; L508-F520 HydrophobicContact CD1-CE2 4.14Å; M516-F520 HydrophobicContact CG-CD1 4.34Å; M516-F520 HydrophobicContact CG-CD2 4.32Å; M516-F520 HydrophobicContact CG-CE1 3.85Å; M516-F520 HydrophobicContact CG-CE2 3.83Å; M516-F520 HydrophobicContact CG-CZ 3.57Å; M516-F520 WeakPolarHBondContact O-CG 3.46Å; M516-F520 PolarHBondContact O-N 2.79Å; M516-F520 HydrophobicContact SD-CE2 3.98Å; M516-F520 HydrophobicContact SD-CZ 3.75Å; L517-F520 PolarHBondContact O-N 2.98Å; H518-F520 PolarHBondContact O-N 2.76Å; F520-H524 PolarHBondContact O-N 3.15Å; F520-V525 HydrophobicContact CB-CB 4.22Å; F520-V525 HydrophobicContact CD1-CB 4.4Å; F520-V525 HydrophobicContact CD1-CG1 4.44Å; F520-V525 HydrophobicContact CD1-CG2 4.27Å; F520-V525 HydrophobicContact CG-CB 4.45Å; F520-V525 WeakPolarHBondContact O-CB 3.38Å; F520-V525 PolarHBondContact O-N 3.19Å; F520-L526 HydrophobicContact CB-CD1 4.38Å; F520-L526 HydrophobicContact CB-CG 4.32Å |
| 521 | L | 84.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.7 | -40.6 | 176.5 | -68.1 | 168 | 0 | 0 | 0 | 112.1 | L517 H518 Q519 H524 L526 L536 L549 M553 | L517-L521 HydrophobicContact CD1-CD1 3.93Å; L517-L521 HydrophobicContact CD1-CG 4.38Å; L517-L521 HydrophobicContact CG-CD1 4.01Å; L517-L521 WeakPolarHBondContact O-CG 3.22Å; L517-L521 PolarHBondContact O-N 3.4Å; L517-L521 VanDerWaalsContact O-N 3.13Å; H518-L521 PolarHBondContact O-N 3.26Å; Q519-L521 VanDerWaalsContact C-N 3.29Å; Q519-L521 PolarHBondContact O-N 3.01Å; L521-H524 PolarHBondContact O-N 2.75Å; L521-L526 HydrophobicContact CD2-CD1 3.95Å; L521-L526 HydrophobicContact CG-CD1 4.44Å; L521-L536 HydrophobicContact CD1-CD1 3.95Å; L521-L536 HydrophobicContact CD1-CD2 3.85Å; L521-L536 HydrophobicContact CD2-CD1 3.96Å; L521-L549 HydrophobicContact CB-CD2 4.45Å; L521-L549 HydrophobicContact CD1-CB 4.36Å; L521-L549 HydrophobicContact CD1-CD1 3.82Å; L521-M553 HydrophobicContact CD2-CE 3.47Å; L521-M553 VanDerWaalsContact CD2-CE 3.47Å |
| 522 | Q | 84.8 | Confident | 84.9 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | -179.4 | -175.2 | 178 | 4.6 | 0 | 0 | 112.4 | H518 Q519 H524 | H518-Q522 VanDerWaalsContact O-CB 3.24Å; H518-Q522 WeakPolarHBondContact O-CB 3.23Å; H518-Q522 PolarHBondContact O-N 2.89Å; Q519-Q522 PolarHBondContact O-N 3.23Å; Q522-H524 VanDerWaalsContact C-N 3.29Å; Q522-H524 PolarHBondContact O-N 2.82Å |
| 523 | Y | 84.1 | Confident | 85 | Confident | 160 Ų | 160 | 56.6 Ų | 56.6 | 63% | 0.627 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.6 | 178.8 | -67.2 | -65.3 | 0 | 0 | 0 | 113.6 | Q519 V525 | Q519-Y523 HydrophobicContact CB-CD2 4.17Å; Q519-Y523 HydrophobicContact CB-CE2 4.36Å; Q519-Y523 HydrophobicContact CG-CE2 4.38Å; Q519-Y523 WeakPolarHBondContact O-CB 3.26Å; Q519-Y523 WeakPolarHBondContact O-CD2 3.45Å; Q519-Y523 PolarHBondContact O-N 3.27Å; Y523-V525 PolarHBondContact O-N 2.87Å |
| 524 | H | 82.6 | Confident | 85 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 35.1 | 178.9 | -53 | -61.2 | 0 | 0 | 0 | 114.1 | F520 L521 Q522 L526 R556 | F520-H524 PolarHBondContact O-N 3.15Å; L521-H524 PolarHBondContact O-N 2.75Å; Q522-H524 VanDerWaalsContact C-N 3.29Å; Q522-H524 PolarHBondContact O-N 2.82Å; H524-L526 VanDerWaalsContact C-N 3.26Å; H524-R556 PolarHBondContact CE1-NE 2.99Å; H524-R556 VanDerWaalsContact CE1-NE 3.28Å |
| 525 | V | 81.6 | Confident | 85 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | trans | -67.3 | -35.1 | 173.7 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | M483 F520 Y523 | M483-V525 HydrophobicContact CE-CG1 3.33Å; F520-V525 HydrophobicContact CB-CB 4.22Å; F520-V525 HydrophobicContact CD1-CB 4.4Å; F520-V525 HydrophobicContact CD1-CG1 4.44Å; F520-V525 HydrophobicContact CD1-CG2 4.27Å; F520-V525 HydrophobicContact CG-CB 4.45Å; F520-V525 WeakPolarHBondContact O-CB 3.38Å; F520-V525 PolarHBondContact O-N 3.19Å; Y523-V525 PolarHBondContact O-N 2.87Å | ||
| 526 | L | 83.9 | Confident | 85 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -94.7 | 129.5 | 171.4 | -51.3 | 174.5 | 0 | 0 | 0 | 108.4 | Y501 V504 I505 F520 L521 H524 L532 | Y501-L526 HydrophobicContact CD1-CB 4.14Å; Y501-L526 HydrophobicContact CD1-CD2 3.3Å; Y501-L526 HydrophobicContact CD1-CG 4.29Å; Y501-L526 HydrophobicContact CE1-CB 4.37Å; Y501-L526 HydrophobicContact CE1-CD2 3.81Å; Y501-L526 HydrophobicContact CG-CB 4.34Å; Y501-L526 HydrophobicContact CG-CD2 4.07Å; V504-L526 HydrophobicContact CG1-CD2 4.43Å; I505-L526 HydrophobicContact CD1-CD1 4.05Å; I505-L526 HydrophobicContact CG1-CD1 3.92Å; F520-L526 HydrophobicContact CB-CD1 4.38Å; F520-L526 HydrophobicContact CB-CG 4.32Å; L521-L526 HydrophobicContact CD2-CD1 3.95Å; L521-L526 HydrophobicContact CG-CD1 4.44Å; H524-L526 VanDerWaalsContact C-N 3.26Å; L526-L532 HydrophobicContact CB-CD2 4.26Å |
| 527 | S | 82.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 47 Ų | 47 | 44% | 0.441 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 139.4 | 175.8 | -56 | 0 | 0 | 0 | 0 | 111.2 | Y501 S529 | Y501-S527 PolarHBondContact OH-OG 2.8Å; Y501-S527 VanDerWaalsContact OH-OG 3.13Å; S527-S529 PolarHBondContact O-N 2.85Å |
| 528 | D | 84.6 | Confident | 85.1 | Confident | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.3 | 178.7 | -62.7 | -29 | 0 | 0 | 0 | 110.2 | M553 R556 L557 | D528-M553 HydrophobicContact CB-CG 3.74Å; D528-M553 WeakPolarHBondContact OD1-CG 3.45Å; D528-R556 IonicContact OD1-CZ 3.89Å; D528-R556 IonicContact OD1-NE 2.78Å; D528-R556 IonicContact OD1-NH2 3.97Å; D528-R556 PolarHBondContact OD1-NH2 3.21Å; D528-R556 WeakPolarHBondContact OD2-CB 3.31Å; D528-R556 IonicContact OD2-CZ 2.95Å; D528-R556 IonicContact OD2-NE 3.74Å; D528-R556 PolarHBondContact OD2-NE 3.34Å; D528-R556 IonicContact OD2-NH2 3.83Å; D528-R556 PolarHBondContact OD2-NH2 3.29Å; D528-L557 HydrophobicContact CB-CD1 4.32Å; D528-L557 HydrophobicContact CB-CD2 3.75Å; D528-L557 HydrophobicContact CB-CG 3.87Å |
| 529 | S | 86.6 | Confident | 85 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | trans | -152.5 | 151 | 172.6 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | S527 L532 A533 | S527-S529 PolarHBondContact O-N 2.85Å; S529-L532 PolarHBondContact O-N 3.19Å; S529-L532 VanDerWaalsContact OG-CB 3.24Å; S529-L532 WeakPolarHBondContact OG-CB 3.46Å; S529-A533 PolarHBondContact O-N 3Å; S529-A533 VanDerWaalsContact O-N 3.13Å | ||
| 530 | K | 85.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 32% | 0.317 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 178.7 | -59.9 | -174.8 | 174.4 | -161.4 | 0 | 112.5 | L532 A533 C534 L557 T559 A560 E563 | K530-L532 VanDerWaalsContact C-N 3.29Å; K530-L532 PolarHBondContact O-N 3.24Å; K530-A533 PolarHBondContact O-N 2.89Å; K530-C534 PolarHBondContact O-N 2.92Å; K530-C534 VanDerWaalsContact O-N 3.12Å; K530-C534 PolarHBondContact O-SG 3.45Å; K530-C534 VanDerWaalsContact O-SG 3.39Å; K530-L557 HydrophobicContact CG-CD1 4.22Å; K530-T559 WeakPolarHBondContact CE-O 3.47Å; K530-T559 PolarHBondContact NZ-O 2.73Å; K530-A560 HydrophobicContact CD-CB 4.46Å; K530-A560 HydrophobicContact CG-CB 4.29Å; K530-E563 WeakPolarHBondContact CD-OE1 3.49Å; K530-E563 WeakPolarHBondContact CE-OE1 3.48Å; K530-E563 IonicContact NZ-OE1 3.11Å; K530-E563 PolarHBondContact NZ-OE1 2.82Å; K530-E563 IonicContact NZ-OE2 2.64Å |
| 531 | P | 86.2 | Confident | 84.4 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 178.3 | -23.5 | 35.3 | 0 | 0 | 0 | 113.1 | C534 L535 | P531-C534 PolarHBondContact O-N 3.4Å; P531-L535 PolarHBondContact O-N 3.15Å |
| 532 | L | 85.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.1 | -38.4 | -179.6 | -161.9 | 68.6 | 0 | 0 | 0 | 112.1 | I505 L526 S529 K530 L535 L536 M553 | I505-L532 HydrophobicContact CD1-CD1 3.34Å; I505-L532 HydrophobicContact CD1-CD2 4.2Å; I505-L532 HydrophobicContact CD1-CG 3.77Å; I505-L532 HydrophobicContact CG1-CD1 4.29Å; L526-L532 HydrophobicContact CB-CD2 4.26Å; S529-L532 PolarHBondContact O-N 3.19Å; S529-L532 VanDerWaalsContact OG-CB 3.24Å; S529-L532 WeakPolarHBondContact OG-CB 3.46Å; K530-L532 VanDerWaalsContact C-N 3.29Å; K530-L532 PolarHBondContact O-N 3.24Å; L532-L535 HydrophobicContact CD1-CD2 4.32Å; L532-L535 WeakPolarHBondContact O-CB 3.5Å; L532-L535 PolarHBondContact O-N 2.76Å; L532-L536 WeakPolarHBondContact O-CG 3.27Å; L532-L536 PolarHBondContact O-N 2.87Å; L532-M553 HydrophobicContact CB-SD 4.02Å; L532-M553 HydrophobicContact CD2-CE 3.88Å; L532-M553 HydrophobicContact CD2-SD 4.08Å; L532-M553 HydrophobicContact CG-CE 4.39Å; L532-M553 HydrophobicContact CG-SD 4.24Å |
| 533 | A | 85.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | S529 K530 L535 L536 L537 M553 L554 | S529-A533 PolarHBondContact O-N 3Å; S529-A533 VanDerWaalsContact O-N 3.13Å; K530-A533 PolarHBondContact O-N 2.89Å; A533-L535 VanDerWaalsContact C-N 3.32Å; A533-L535 PolarHBondContact O-N 2.94Å; A533-L536 PolarHBondContact O-N 3.11Å; A533-L537 WeakPolarHBondContact O-CG 3.17Å; A533-L537 PolarHBondContact O-N 3.05Å; A533-M553 HydrophobicContact CB-CG 4.36Å; A533-M553 HydrophobicContact CB-SD 4.09Å; A533-L554 HydrophobicContact CB-CD1 4.2Å; A533-L554 HydrophobicContact CB-CD2 3.56Å; A533-L554 HydrophobicContact CB-CG 3.58Å |
| 534 | C | 84.8 | Confident | 84.2 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 49% | 0.493 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 173.6 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | K530 P531 L537 S538 | K530-C534 PolarHBondContact O-N 2.92Å; K530-C534 VanDerWaalsContact O-N 3.12Å; K530-C534 PolarHBondContact O-SG 3.45Å; K530-C534 VanDerWaalsContact O-SG 3.39Å; P531-C534 PolarHBondContact O-N 3.4Å; C534-L537 PolarHBondContact O-N 2.73Å; C534-S538 PolarHBondContact O-N 3.06Å; C534-S538 VanDerWaalsContact O-N 3.14Å |
| 535 | L | 86 | Confident | 84.3 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 173.8 | -179.9 | 69.5 | 0 | 0 | 0 | 111.4 | E502 I505 P531 L532 A533 L537 S538 L539 | E502-L535 HydrophobicContact CB-CD2 3.98Å; E502-L535 HydrophobicContact CG-CD2 3.71Å; I505-L535 HydrophobicContact CB-CD2 4.25Å; I505-L535 HydrophobicContact CG2-CD2 4.15Å; P531-L535 PolarHBondContact O-N 3.15Å; L532-L535 HydrophobicContact CD1-CD2 4.32Å; L532-L535 WeakPolarHBondContact O-CB 3.5Å; L532-L535 PolarHBondContact O-N 2.76Å; A533-L535 VanDerWaalsContact C-N 3.32Å; A533-L535 PolarHBondContact O-N 2.94Å; L535-L537 VanDerWaalsContact C-N 3.29Å; L535-L537 PolarHBondContact O-N 2.95Å; L535-S538 WeakPolarHBondContact O-CB 3.32Å; L535-S538 PolarHBondContact O-N 3.3Å; L535-S538 VanDerWaalsContact O-N 3.11Å; L535-S538 PolarHBondContact O-OG 3Å; L535-L539 HydrophobicContact CG-CD1 4.27Å; L535-L539 WeakPolarHBondContact O-CG 2.82Å; L535-L539 PolarHBondContact O-N 3.03Å |
| 536 | L | 85.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 177.6 | -72.7 | 171.7 | 0 | 0 | 0 | 112.5 | I505 L521 L532 A533 S538 L539 E540 A546 M553 | I505-L536 HydrophobicContact CD1-CD2 4.07Å; I505-L536 HydrophobicContact CD1-CG 4.37Å; I505-L536 HydrophobicContact CG2-CD2 4.45Å; L521-L536 HydrophobicContact CD1-CD1 3.95Å; L521-L536 HydrophobicContact CD1-CD2 3.85Å; L521-L536 HydrophobicContact CD2-CD1 3.96Å; L532-L536 WeakPolarHBondContact O-CG 3.27Å; L532-L536 PolarHBondContact O-N 2.87Å; A533-L536 PolarHBondContact O-N 3.11Å; L536-S538 VanDerWaalsContact C-N 3.33Å; L536-S538 PolarHBondContact O-N 3.37Å; L536-L539 HydrophobicContact CD2-CD1 4.44Å; L536-L539 WeakPolarHBondContact O-CB 3.47Å; L536-L539 PolarHBondContact O-N 3.48Å; L536-L539 VanDerWaalsContact O-N 3.1Å; L536-E540 PolarHBondContact O-N 2.97Å; L536-A546 VanDerWaalsContact O-CB 3.25Å; L536-A546 WeakPolarHBondContact O-CB 3.36Å; L536-M553 HydrophobicContact CD1-CE 3.87Å; L536-M553 HydrophobicContact CD1-SD 4.4Å |
| 537 | L | 85.6 | Confident | 84.5 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 174.4 | -73.2 | 162.8 | 0 | 0 | 0 | 112.2 | A533 C534 L535 L539 E540 S550 V567 | A533-L537 WeakPolarHBondContact O-CG 3.17Å; A533-L537 PolarHBondContact O-N 3.05Å; C534-L537 PolarHBondContact O-N 2.73Å; L535-L537 VanDerWaalsContact C-N 3.29Å; L535-L537 PolarHBondContact O-N 2.95Å; L537-L539 PolarHBondContact O-N 2.9Å; L537-E540 WeakPolarHBondContact O-CB 3.44Å; L537-E540 PolarHBondContact O-N 3.34Å; L537-S550 WeakPolarHBondContact CD2-OG 3.43Å; L537-S550 VanDerWaalsContact CG-OG 3.27Å; L537-S550 WeakPolarHBondContact CG-OG 3.34Å; L537-V567 HydrophobicContact CD1-CB 4.4Å; L537-V567 HydrophobicContact CD1-CG1 4.09Å; L537-V567 HydrophobicContact CD1-CG2 3.39Å; L537-V567 HydrophobicContact CD2-CG1 3.58Å; L537-V567 HydrophobicContact CD2-CG2 4.45Å |
| 538 | S | 86 | Confident | 84.6 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.4 | -23.3 | 175.3 | 77.7 | 0 | 0 | 0 | 0 | 113.1 | C534 L535 L536 | C534-S538 PolarHBondContact O-N 3.06Å; C534-S538 VanDerWaalsContact O-N 3.14Å; L535-S538 WeakPolarHBondContact O-CB 3.32Å; L535-S538 PolarHBondContact O-N 3.3Å; L535-S538 VanDerWaalsContact O-N 3.11Å; L535-S538 PolarHBondContact O-OG 3Å; L536-S538 VanDerWaalsContact C-N 3.33Å; L536-S538 PolarHBondContact O-N 3.37Å |
| 539 | L | 83.5 | Confident | 84.7 | Confident | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.2 | -178.5 | -65.9 | 169.4 | 0 | 0 | 0 | 113.7 | I505 V509 L535 L536 L537 G541 T542 Y543 A546 | I505-L539 HydrophobicContact CG2-CD1 3.58Å; V509-L539 HydrophobicContact CG1-CD2 3.98Å; V509-L539 HydrophobicContact CG2-CD1 3.86Å; V509-L539 HydrophobicContact CG2-CD2 4.14Å; L535-L539 HydrophobicContact CG-CD1 4.27Å; L535-L539 WeakPolarHBondContact O-CG 2.82Å; L535-L539 PolarHBondContact O-N 3.03Å; L536-L539 HydrophobicContact CD2-CD1 4.44Å; L536-L539 WeakPolarHBondContact O-CB 3.47Å; L536-L539 PolarHBondContact O-N 3.48Å; L536-L539 VanDerWaalsContact O-N 3.1Å; L537-L539 PolarHBondContact O-N 2.9Å; L539-G541 PolarHBondContact O-N 2.87Å; L539-T542 PolarHBondContact O-N 3.05Å; L539-T542 PolarHBondContact O-OG1 3.08Å; L539-Y543 PolarHBondContact O-N 2.75Å; L539-A546 HydrophobicContact CB-CB 4.44Å |
| 540 | E | 82.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 44 Ų | 44 | 23% | 0.229 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -38.6 | -178.2 | -177.7 | -176.6 | 157.5 | 0 | 0 | 112.8 | L536 L537 T542 Y543 H547 K571 | L536-E540 PolarHBondContact O-N 2.97Å; L537-E540 WeakPolarHBondContact O-CB 3.44Å; L537-E540 PolarHBondContact O-N 3.34Å; E540-T542 PolarHBondContact O-N 3.14Å; E540-Y543 CarbonylContact O-C 3.54Å; E540-Y543 PolarHBondContact O-N 3.23Å; E540-H547 HydrophobicContact CG-CB 4.01Å; E540-H547 IonicContact OE2-CG 2.75Å; E540-H547 IonicContact OE2-ND1 3.02Å; E540-H547 PolarHBondContact OE2-ND1 3.44Å; E540-K571 WeakPolarHBondContact OE1-CE 3.41Å; E540-K571 IonicContact OE1-NZ 3.84Å; E540-K571 PolarHBondContact OE1-NZ 3.09Å; E540-K571 WeakPolarHBondContact OE2-CE 3.2Å; E540-K571 IonicContact OE2-NZ 3.71Å; E540-K571 PolarHBondContact OE2-NZ 2.91Å |
| 541 | G | 79.1 | Confident | 84.5 | Confident | 83 Ų | 83 | 41.4 Ų | 41.4 | 86% | 0.856 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -30.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L539 | L539-G541 PolarHBondContact O-N 2.87Š|
| 542 | T | 82.3 | Confident | 84.5 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -32.3 | 177.2 | 45 | 0 | 0 | 0 | 0 | 113.3 | L539 E540 | L539-T542 PolarHBondContact O-N 3.05Å; L539-T542 PolarHBondContact O-OG1 3.08Å; E540-T542 PolarHBondContact O-N 3.14Å |
| 543 | Y | 84.8 | Confident | 84.4 | Confident | 31 Ų | 31 | 41 Ų | 41 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | trans | -136.6 | 94.4 | -178.3 | -176.3 | -126.9 | 0 | 0 | 0 | 109.8 | F514 L517 H518 L539 E540 A545 A546 L549 | F514-Y543 HydrophobicContact CB-CD2 3.82Å; F514-Y543 HydrophobicContact CB-CE2 3.69Å; F514-Y543 HydrophobicContact CD1-CD1 4.37Å; F514-Y543 AromaticContact CD1-CD2 3.64Å; F514-Y543 HydrophobicContact CD1-CD2 3.64Å; F514-Y543 HydrophobicContact CD1-CE2 4.34Å; F514-Y543 AromaticContact CD1-CG 3.67Å; F514-Y543 HydrophobicContact CD1-CG 3.67Å; F514-Y543 HydrophobicContact CE1-CD2 4.4Å; F514-Y543 HydrophobicContact CE1-CG 4.25Å; F514-Y543 AromaticContact CG-CD2 3.8Å; F514-Y543 HydrophobicContact CG-CD2 3.8Å; F514-Y543 HydrophobicContact CG-CE2 4.2Å; F514-Y543 HydrophobicContact CG-CG 4.31Å; L517-Y543 HydrophobicContact CD2-CD1 4.31Å; H518-Y543 WeakPolarHBondContact CB-OH 3.45Å; H518-Y543 PolarHBondContact ND1-OH 2.97Å; L539-Y543 PolarHBondContact O-N 2.75Å; E540-Y543 CarbonylContact O-C 3.54Å; E540-Y543 PolarHBondContact O-N 3.23Å; Y543-A545 HydrophobicContact CE1-CB 3.85Å; Y543-A545 HydrophobicContact CE2-CB 3.99Å; Y543-A545 PolarHBondContact O-N 3.21Å; Y543-A545 VanDerWaalsContact O-N 3.13Å; Y543-A546 HydrophobicContact CD1-CB 3.81Å; Y543-A546 WeakPolarHBondContact O-CB 3.35Å; Y543-A546 PolarHBondContact O-N 3.4Å; Y543-L549 HydrophobicContact CE1-CD1 4Å | ||
| 544 | P | 82.6 | Confident | 84.4 | Confident | 101 Ų | 101 | 41.1 Ų | 41.1 | 66% | 0.656 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -32.4 | -173.4 | -28.9 | 35.8 | 0 | 0 | 0 | 114.4 | A546 H547 | P544-A546 PolarHBondContact O-N 3.46Å; P544-H547 PolarHBondContact O-N 3.49Å |
| 545 | A | 85.3 | Confident | 84.4 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -12.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y543 H547 Q548 L549 | Y543-A545 HydrophobicContact CE1-CB 3.85Å; Y543-A545 HydrophobicContact CE2-CB 3.99Å; Y543-A545 PolarHBondContact O-N 3.21Å; Y543-A545 VanDerWaalsContact O-N 3.13Å; A545-H547 PolarHBondContact O-N 3.15Å; A545-Q548 PolarHBondContact O-N 3.49Å; A545-L549 WeakPolarHBondContact O-CG 3.25Å; A545-L549 PolarHBondContact O-N 3.15Å |
| 546 | A | 84.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -33.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L536 L539 Y543 P544 L549 S550 | L536-A546 VanDerWaalsContact O-CB 3.25Å; L536-A546 WeakPolarHBondContact O-CB 3.36Å; L539-A546 HydrophobicContact CB-CB 4.44Å; Y543-A546 HydrophobicContact CD1-CB 3.81Å; Y543-A546 WeakPolarHBondContact O-CB 3.35Å; Y543-A546 PolarHBondContact O-N 3.4Å; P544-A546 PolarHBondContact O-N 3.46Å; A546-L549 PolarHBondContact O-N 3Å; A546-S550 VanDerWaalsContact O-CB 3.31Å; A546-S550 WeakPolarHBondContact O-CB 3.38Å; A546-S550 PolarHBondContact O-N 3.01Å; A546-S550 PolarHBondContact O-OG 3.12Å |
| 547 | H | 83.9 | Confident | 84.1 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 12% | 0.12 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -54.7 | 178.6 | -176.6 | 81.9 | 0 | 0 | 0 | 111.2 | E540 P544 A545 L549 S550 L551 | E540-H547 HydrophobicContact CG-CB 4.01Å; E540-H547 IonicContact OE2-CG 2.75Å; E540-H547 IonicContact OE2-ND1 3.02Å; E540-H547 PolarHBondContact OE2-ND1 3.44Å; P544-H547 PolarHBondContact O-N 3.49Å; A545-H547 PolarHBondContact O-N 3.15Å; H547-L549 PolarHBondContact O-N 3.05Å; H547-S550 PolarHBondContact O-N 3.12Å; H547-S550 PolarHBondContact O-OG 3.49Å; H547-L551 PolarHBondContact O-N 3.19Å; H547-L551 VanDerWaalsContact O-N 3.13Å |
| 548 | Q | 86.3 | Confident | 83.5 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 179.7 | -172.8 | 60.6 | 35.8 | 0 | 0 | 111.5 | A545 S550 L551 D552 | A545-Q548 PolarHBondContact O-N 3.49Å; Q548-S550 VanDerWaalsContact C-N 3.29Å; Q548-S550 PolarHBondContact O-N 3.41Å; Q548-L551 PolarHBondContact O-N 2.96Å; Q548-D552 PolarHBondContact NE2-OD1 2.83Å; Q548-D552 WeakPolarHBondContact O-CB 3.49Å; Q548-D552 PolarHBondContact O-N 3.17Å |
| 549 | L | 85.4 | Confident | 83 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 178.9 | -68.2 | 170.3 | 0 | 0 | 0 | 112.6 | L521 Y543 A545 A546 H547 M553 | L521-L549 HydrophobicContact CB-CD2 4.45Å; L521-L549 HydrophobicContact CD1-CB 4.36Å; L521-L549 HydrophobicContact CD1-CD1 3.82Å; Y543-L549 HydrophobicContact CE1-CD1 4Å; A545-L549 WeakPolarHBondContact O-CG 3.25Å; A545-L549 PolarHBondContact O-N 3.15Å; A546-L549 PolarHBondContact O-N 3Å; H547-L549 PolarHBondContact O-N 3.05Å; L549-M553 WeakPolarHBondContact O-CB 3.45Å; L549-M553 PolarHBondContact O-N 2.79Å |
| 550 | S | 85.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 176.3 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | L537 A546 H547 Q548 M553 L554 | L537-S550 WeakPolarHBondContact CD2-OG 3.43Å; L537-S550 VanDerWaalsContact CG-OG 3.27Å; L537-S550 WeakPolarHBondContact CG-OG 3.34Å; A546-S550 VanDerWaalsContact O-CB 3.31Å; A546-S550 WeakPolarHBondContact O-CB 3.38Å; A546-S550 PolarHBondContact O-N 3.01Å; A546-S550 PolarHBondContact O-OG 3.12Å; H547-S550 PolarHBondContact O-N 3.12Å; H547-S550 PolarHBondContact O-OG 3.49Å; Q548-S550 VanDerWaalsContact C-N 3.29Å; Q548-S550 PolarHBondContact O-N 3.41Å; S550-M553 WeakPolarHBondContact O-CB 3.19Å; S550-M553 PolarHBondContact O-N 3.46Å; S550-L554 WeakPolarHBondContact O-CG 3.37Å; S550-L554 PolarHBondContact O-N 3.36Å |
| 551 | L | 84.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 175.3 | -69.6 | -179.8 | 0 | 0 | 0 | 111.2 | H547 Q548 M553 L554 K555 I564 V567 L568 | H547-L551 PolarHBondContact O-N 3.19Å; H547-L551 VanDerWaalsContact O-N 3.13Å; Q548-L551 PolarHBondContact O-N 2.96Å; L551-M553 VanDerWaalsContact C-N 3.3Å; L551-M553 PolarHBondContact O-N 3.08Å; L551-L554 PolarHBondContact O-N 2.67Å; L551-K555 VanDerWaalsContact O-CB 3.27Å; L551-K555 WeakPolarHBondContact O-CB 3.48Å; L551-K555 PolarHBondContact O-N 3Å; L551-I564 HydrophobicContact CD2-CG2 4.24Å; L551-V567 HydrophobicContact CD2-CB 4.44Å; L551-V567 HydrophobicContact CD2-CG1 3.98Å; L551-L568 HydrophobicContact CD1-CD2 4.32Å |
| 552 | D | 84.9 | Confident | 82.3 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.5 | -67.6 | -20.1 | 0 | 0 | 0 | 110.9 | Q548 R556 | Q548-D552 PolarHBondContact NE2-OD1 2.83Å; Q548-D552 WeakPolarHBondContact O-CB 3.49Å; Q548-D552 PolarHBondContact O-N 3.17Å; D552-R556 WeakPolarHBondContact O-CG 3.26Å; D552-R556 PolarHBondContact O-N 2.96Å; D552-R556 PolarHBondContact O-NH1 3.22Å |
| 553 | M | 84.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 174.7 | -178 | 175.9 | -63.7 | 0 | 0 | 112.6 | L521 D528 L532 A533 L536 L549 S550 L551 K555 R556 L557 | L521-M553 HydrophobicContact CD2-CE 3.47Å; L521-M553 VanDerWaalsContact CD2-CE 3.47Å; D528-M553 HydrophobicContact CB-CG 3.74Å; D528-M553 WeakPolarHBondContact OD1-CG 3.45Å; L532-M553 HydrophobicContact CB-SD 4.02Å; L532-M553 HydrophobicContact CD2-CE 3.88Å; L532-M553 HydrophobicContact CD2-SD 4.08Å; L532-M553 HydrophobicContact CG-CE 4.39Å; L532-M553 HydrophobicContact CG-SD 4.24Å; A533-M553 HydrophobicContact CB-CG 4.36Å; A533-M553 HydrophobicContact CB-SD 4.09Å; L536-M553 HydrophobicContact CD1-CE 3.87Å; L536-M553 HydrophobicContact CD1-SD 4.4Å; L549-M553 WeakPolarHBondContact O-CB 3.45Å; L549-M553 PolarHBondContact O-N 2.79Å; S550-M553 WeakPolarHBondContact O-CB 3.19Å; S550-M553 PolarHBondContact O-N 3.46Å; L551-M553 VanDerWaalsContact C-N 3.3Å; L551-M553 PolarHBondContact O-N 3.08Å; M553-K555 VanDerWaalsContact C-N 3.29Å; M553-K555 PolarHBondContact O-N 2.96Å; M553-R556 PolarHBondContact O-N 2.91Å; M553-L557 PolarHBondContact O-N 3.28Å |
| 554 | L | 84.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.6 | -68.5 | 167.6 | 0 | 0 | 0 | 111.6 | A533 S550 L551 R556 L557 A560 E563 I564 | A533-L554 HydrophobicContact CB-CD1 4.2Å; A533-L554 HydrophobicContact CB-CD2 3.56Å; A533-L554 HydrophobicContact CB-CG 3.58Å; S550-L554 WeakPolarHBondContact O-CG 3.37Å; S550-L554 PolarHBondContact O-N 3.36Å; L551-L554 PolarHBondContact O-N 2.67Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.85Å; L554-L557 PolarHBondContact O-N 3.06Å; L554-A560 HydrophobicContact CB-CB 4.23Å; L554-A560 HydrophobicContact CD2-CB 3.67Å; L554-E563 HydrophobicContact CD2-CB 4.45Å; L554-I564 HydrophobicContact CB-CD1 3.69Å; L554-I564 HydrophobicContact CB-CG1 3.4Å; L554-I564 HydrophobicContact CD1-CG1 3.88Å; L554-I564 HydrophobicContact CG-CG1 4.24Å |
| 555 | K | 83.7 | Confident | 81.7 | Confident | 137 Ų | 137 | 46.1 Ų | 46.1 | 60% | 0.596 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.1 | -37.4 | 178.7 | -173.4 | 178.5 | 179.2 | -177 | 0 | 111.9 | L551 M553 I564 | L551-K555 VanDerWaalsContact O-CB 3.27Å; L551-K555 WeakPolarHBondContact O-CB 3.48Å; L551-K555 PolarHBondContact O-N 3Å; M553-K555 VanDerWaalsContact C-N 3.29Å; M553-K555 PolarHBondContact O-N 2.96Å; K555-I564 HydrophobicContact CB-CD1 4.36Å |
| 556 | R | 83.8 | Confident | 81.5 | Confident | 93 Ų | 93 | 49.1 Ų | 49.1 | 35% | 0.351 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.2 | -35.2 | 176.2 | -72.4 | -174.6 | -55.1 | -97.3 | 8.3 | 112.8 | H524 D528 D552 M553 L554 S558 | H524-R556 PolarHBondContact CE1-NE 2.99Å; H524-R556 VanDerWaalsContact CE1-NE 3.28Å; D528-R556 IonicContact OD1-CZ 3.89Å; D528-R556 IonicContact OD1-NE 2.78Å; D528-R556 IonicContact OD1-NH2 3.97Å; D528-R556 PolarHBondContact OD1-NH2 3.21Å; D528-R556 WeakPolarHBondContact OD2-CB 3.31Å; D528-R556 IonicContact OD2-CZ 2.95Å; D528-R556 IonicContact OD2-NE 3.74Å; D528-R556 PolarHBondContact OD2-NE 3.34Å; D528-R556 IonicContact OD2-NH2 3.83Å; D528-R556 PolarHBondContact OD2-NH2 3.29Å; D552-R556 WeakPolarHBondContact O-CG 3.26Å; D552-R556 PolarHBondContact O-N 2.96Å; D552-R556 PolarHBondContact O-NH1 3.22Å; M553-R556 PolarHBondContact O-N 2.91Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.85Å; R556-S558 PolarHBondContact O-N 3.4Å; R556-S558 VanDerWaalsContact O-N 3.15Å; R556-S558 PolarHBondContact O-OG 3.22Å |
| 557 | L | 82 | Confident | 81.2 | Confident | 44 Ų | 44 | 50 Ų | 50 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -17.3 | -178.9 | -74.6 | 169.4 | 0 | 0 | 0 | 114.4 | D528 K530 M553 L554 T559 A560 | D528-L557 HydrophobicContact CB-CD1 4.32Å; D528-L557 HydrophobicContact CB-CD2 3.75Å; D528-L557 HydrophobicContact CB-CG 3.87Å; K530-L557 HydrophobicContact CG-CD1 4.22Å; M553-L557 PolarHBondContact O-N 3.28Å; L554-L557 PolarHBondContact O-N 3.06Å; L557-T559 PolarHBondContact O-N 3.05Å; L557-T559 PolarHBondContact O-OG1 2.77Å; L557-T559 VanDerWaalsContact O-OG1 3.1Å; L557-A560 HydrophobicContact CB-CB 4.35Å |
| 558 | S | 74.3 | Confident | 81.1 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 59 | -21.1 | 177.5 | -51.6 | 0 | 0 | 0 | 0 | 116.6 | R556 N561 | R556-S558 PolarHBondContact O-N 3.4Å; R556-S558 VanDerWaalsContact O-N 3.15Å; R556-S558 PolarHBondContact O-OG 3.22Å; S558-N561 PolarHBondContact O-ND2 2.99Å |
| 559 | T | 74.7 | Confident | 80.8 | Confident | 101 Ų | 101 | 45.1 Ų | 45.1 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -99.5 | 3.8 | -178.5 | 55 | 0 | 0 | 0 | 0 | 112.5 | K530 L557 | K530-T559 WeakPolarHBondContact CE-O 3.47Å; K530-T559 PolarHBondContact NZ-O 2.73Å; L557-T559 PolarHBondContact O-N 3.05Å; L557-T559 PolarHBondContact O-OG1 2.77Å; L557-T559 VanDerWaalsContact O-OG1 3.1Å |
| 560 | A | 75.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -116 | 28 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K530 L554 L557 D562 E563 I564 | K530-A560 HydrophobicContact CD-CB 4.46Å; K530-A560 HydrophobicContact CG-CB 4.29Å; L554-A560 HydrophobicContact CB-CB 4.23Å; L554-A560 HydrophobicContact CD2-CB 3.67Å; L557-A560 HydrophobicContact CB-CB 4.35Å; A560-D562 VanDerWaalsContact C-N 3.35Å; A560-D562 PolarHBondContact O-N 3.14Å; A560-E563 WeakPolarHBondContact CA-OE2 3.38Å; A560-E563 PolarHBondContact O-N 3.48Å; A560-I564 WeakPolarHBondContact O-CG1 3.35Å; A560-I564 PolarHBondContact O-N 2.87Å; A560-I564 VanDerWaalsContact O-N 3.16Å | ||
| 561 | N | 77.6 | Confident | 80.1 | Confident | 46 Ų | 46 | 53 Ų | 53 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.9 | -34.7 | -174 | -62.3 | -47.3 | 0 | 0 | 0 | 112.6 | S558 I564 V565 F580 V584 | S558-N561 PolarHBondContact O-ND2 2.99Å; N561-I564 PolarHBondContact O-N 2.82Å; N561-V565 WeakPolarHBondContact O-CG2 3.46Å; N561-V565 PolarHBondContact O-N 2.88Å; N561-F580 HydrophobicContact CB-CE1 4.27Å; N561-V584 HydrophobicContact CB-CG1 4.48Å |
| 562 | D | 77.2 | Confident | 79.8 | Confident | 126 Ų | 126 | 56.8 Ų | 56.8 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 178.7 | -67.1 | -23.8 | 0 | 0 | 0 | 110.7 | A560 V565 E566 | A560-D562 VanDerWaalsContact C-N 3.35Å; A560-D562 PolarHBondContact O-N 3.14Å; D562-V565 WeakPolarHBondContact O-CB 3.46Å; D562-V565 PolarHBondContact O-N 3.34Å; D562-E566 WeakPolarHBondContact O-CG 3.27Å; D562-E566 PolarHBondContact O-N 2.72Å |
| 563 | E | 79.1 | Confident | 79.6 | Confident | 52 Ų | 52 | 58.9 Ų | 58.9 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 176.7 | -63.2 | 88.4 | 154.2 | 0 | 0 | 111.6 | K530 L554 A560 V565 E566 V567 | K530-E563 WeakPolarHBondContact CD-OE1 3.49Å; K530-E563 WeakPolarHBondContact CE-OE1 3.48Å; K530-E563 IonicContact NZ-OE1 3.11Å; K530-E563 PolarHBondContact NZ-OE1 2.82Å; K530-E563 IonicContact NZ-OE2 2.64Å; L554-E563 HydrophobicContact CD2-CB 4.45Å; A560-E563 WeakPolarHBondContact CA-OE2 3.38Å; A560-E563 PolarHBondContact O-N 3.48Å; E563-V565 VanDerWaalsContact C-N 3.29Å; E563-V565 PolarHBondContact O-N 2.81Å; E563-E566 PolarHBondContact O-N 2.98Å; E563-V567 WeakPolarHBondContact O-CG2 3.45Å; E563-V567 PolarHBondContact O-N 2.67Å |
| 564 | I | 79.5 | Confident | 79.3 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 173.7 | -67.6 | 165.2 | 0 | 0 | 0 | 110.9 | L551 L554 K555 A560 N561 V567 L568 F580 | L551-I564 HydrophobicContact CD2-CG2 4.24Å; L554-I564 HydrophobicContact CB-CD1 3.69Å; L554-I564 HydrophobicContact CB-CG1 3.4Å; L554-I564 HydrophobicContact CD1-CG1 3.88Å; L554-I564 HydrophobicContact CG-CG1 4.24Å; K555-I564 HydrophobicContact CB-CD1 4.36Å; A560-I564 WeakPolarHBondContact O-CG1 3.35Å; A560-I564 PolarHBondContact O-N 2.87Å; A560-I564 VanDerWaalsContact O-N 3.16Å; N561-I564 PolarHBondContact O-N 2.82Å; I564-V567 PolarHBondContact O-N 2.73Å; I564-L568 HydrophobicContact CG2-CD1 3.92Å; I564-L568 HydrophobicContact CG2-CG 4.48Å; I564-L568 WeakPolarHBondContact O-CG 3.23Å; I564-L568 PolarHBondContact O-N 3.39Å; I564-F580 HydrophobicContact CB-CD1 4.35Å; I564-F580 HydrophobicContact CB-CE1 3.85Å; I564-F580 HydrophobicContact CB-CZ 4.24Å; I564-F580 HydrophobicContact CD1-CE1 3.83Å; I564-F580 HydrophobicContact CD1-CE2 4.15Å; I564-F580 HydrophobicContact CD1-CZ 3.38Å; I564-F580 HydrophobicContact CG1-CE1 4.46Å; I564-F580 HydrophobicContact CG1-CZ 4.4Å; I564-F580 HydrophobicContact CG2-CD1 3.71Å; I564-F580 HydrophobicContact CG2-CD2 4.36Å; I564-F580 HydrophobicContact CG2-CE1 3.6Å; I564-F580 HydrophobicContact CG2-CE2 4.26Å; I564-F580 HydrophobicContact CG2-CG 4.11Å; I564-F580 HydrophobicContact CG2-CZ 3.9Å |
| 565 | V | 78.2 | Confident | 79 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 178.6 | 166.6 | 0 | 0 | 0 | 0 | 110.7 | N561 D562 E563 V567 L568 L569 F580 I581 F595 | N561-V565 WeakPolarHBondContact O-CG2 3.46Å; N561-V565 PolarHBondContact O-N 2.88Å; D562-V565 WeakPolarHBondContact O-CB 3.46Å; D562-V565 PolarHBondContact O-N 3.34Å; E563-V565 VanDerWaalsContact C-N 3.29Å; E563-V565 PolarHBondContact O-N 2.81Å; V565-V567 VanDerWaalsContact C-N 3.31Å; V565-V567 PolarHBondContact O-N 3.49Å; V565-L568 PolarHBondContact O-N 2.79Å; V565-L569 HydrophobicContact CG1-CD1 3.75Å; V565-L569 HydrophobicContact CG1-CG 4.24Å; V565-L569 WeakPolarHBondContact O-CB 3.45Å; V565-L569 WeakPolarHBondContact O-CG 3.28Å; V565-L569 PolarHBondContact O-N 2.86Å; V565-F580 HydrophobicContact CG2-CD1 4.23Å; V565-I581 HydrophobicContact CG1-CD1 4.12Å; V565-I581 HydrophobicContact CG2-CD1 3.6Å; V565-I581 HydrophobicContact CG2-CG1 3.47Å; V565-I581 VanDerWaalsContact CG2-CG1 3.47Å; V565-F595 HydrophobicContact CG1-CE2 3.65Å; V565-F595 HydrophobicContact CG1-CZ 3.43Å; V565-F595 VanDerWaalsContact CG1-CZ 3.43Å |
| 566 | E | 80.8 | Confident | 78.7 | Confident | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.5 | -72.9 | -172.5 | 165.1 | 0 | 0 | 112.3 | D562 E563 L569 S570 K594 | D562-E566 WeakPolarHBondContact O-CG 3.27Å; D562-E566 PolarHBondContact O-N 2.72Å; E563-E566 PolarHBondContact O-N 2.98Å; E566-L569 PolarHBondContact O-N 3.14Å; E566-S570 WeakPolarHBondContact O-CB 3.46Å; E566-S570 PolarHBondContact O-N 3.18Å; E566-K594 IonicContact OE1-NZ 2.85Å; E566-K594 PolarHBondContact OE1-NZ 2.78Å |
| 567 | V | 79.7 | Confident | 78.5 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | L537 L551 E563 I564 V565 L569 S570 K571 | L537-V567 HydrophobicContact CD1-CB 4.4Å; L537-V567 HydrophobicContact CD1-CG1 4.09Å; L537-V567 HydrophobicContact CD1-CG2 3.39Å; L537-V567 HydrophobicContact CD2-CG1 3.58Å; L537-V567 HydrophobicContact CD2-CG2 4.45Å; L551-V567 HydrophobicContact CD2-CB 4.44Å; L551-V567 HydrophobicContact CD2-CG1 3.98Å; E563-V567 WeakPolarHBondContact O-CG2 3.45Å; E563-V567 PolarHBondContact O-N 2.67Å; I564-V567 PolarHBondContact O-N 2.73Å; V565-V567 VanDerWaalsContact C-N 3.31Å; V565-V567 PolarHBondContact O-N 3.49Å; V567-L569 VanDerWaalsContact C-N 3.33Å; V567-L569 PolarHBondContact O-N 3.39Å; V567-S570 PolarHBondContact O-N 2.55Å; V567-S570 PolarHBondContact O-OG 2.8Å; V567-K571 PolarHBondContact O-N 2.81Å |
| 568 | L | 80.4 | Confident | 78.3 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 178.5 | -70.8 | 171 | 0 | 0 | 0 | 112.2 | L551 I564 V565 K571 Q572 Q573 A577 F580 | L551-L568 HydrophobicContact CD1-CD2 4.32Å; I564-L568 HydrophobicContact CG2-CD1 3.92Å; I564-L568 HydrophobicContact CG2-CG 4.48Å; I564-L568 WeakPolarHBondContact O-CG 3.23Å; I564-L568 PolarHBondContact O-N 3.39Å; V565-L568 PolarHBondContact O-N 2.79Å; L568-K571 PolarHBondContact O-N 3Å; L568-Q572 PolarHBondContact O-N 3.07Å; L568-Q573 HydrophobicContact CD2-CB 4.39Å; L568-Q573 PolarHBondContact O-N 3.12Å; L568-A577 HydrophobicContact CB-CB 3.84Å; L568-A577 HydrophobicContact CD1-CB 4.29Å; L568-F580 HydrophobicContact CD1-CB 4.33Å |
| 569 | L | 81.8 | Confident | 78.6 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.5 | -70.3 | 175.2 | 0 | 0 | 0 | 112 | V565 E566 V567 K571 Q572 V574 A577 K594 F595 A598 | V565-L569 HydrophobicContact CG1-CD1 3.75Å; V565-L569 HydrophobicContact CG1-CG 4.24Å; V565-L569 WeakPolarHBondContact O-CB 3.45Å; V565-L569 WeakPolarHBondContact O-CG 3.28Å; V565-L569 PolarHBondContact O-N 2.86Å; E566-L569 PolarHBondContact O-N 3.14Å; V567-L569 VanDerWaalsContact C-N 3.33Å; V567-L569 PolarHBondContact O-N 3.39Å; L569-K571 PolarHBondContact O-N 3.38Å; L569-Q572 PolarHBondContact O-N 2.93Å; L569-V574 HydrophobicContact CD2-CB 4.39Å; L569-V574 HydrophobicContact CD2-CG1 3.84Å; L569-V574 HydrophobicContact CD2-CG2 4.31Å; L569-A577 HydrophobicContact CD2-CB 4.11Å; L569-A577 HydrophobicContact CG-CB 4.23Å; L569-K594 HydrophobicContact CD1-CB 4.12Å; L569-F595 HydrophobicContact CD1-CD2 4Å; L569-F595 HydrophobicContact CD1-CE1 4.47Å; L569-F595 HydrophobicContact CD1-CE2 3.77Å; L569-F595 HydrophobicContact CD1-CG 4.41Å; L569-F595 HydrophobicContact CD1-CZ 4.01Å; L569-F595 HydrophobicContact CD2-CD1 3.76Å; L569-F595 HydrophobicContact CD2-CD2 4.47Å; L569-F595 HydrophobicContact CD2-CE1 3.83Å; L569-F595 HydrophobicContact CD2-CG 4.08Å; L569-F595 HydrophobicContact CD2-CZ 4.18Å; L569-F595 HydrophobicContact CG-CE1 4.46Å; L569-F595 HydrophobicContact CG-CZ 4.35Å; L569-A598 HydrophobicContact CB-CB 4.27Å; L569-A598 HydrophobicContact CD2-CB 3.83Å |
| 570 | S | 80.3 | Confident | 78.8 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.2 | -31 | 177.3 | 77 | 0 | 0 | 0 | 0 | 113.1 | E566 V567 Q572 | E566-S570 WeakPolarHBondContact O-CB 3.46Å; E566-S570 PolarHBondContact O-N 3.18Å; V567-S570 PolarHBondContact O-N 2.55Å; V567-S570 PolarHBondContact O-OG 2.8Å; S570-Q572 VanDerWaalsContact C-N 3.28Å |
| 571 | K | 75.7 | Confident | 78.9 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 12.4 | 176.1 | -69.1 | -75.1 | 176.9 | 166.5 | 0 | 113.3 | E540 V567 L568 L569 Q573 | E540-K571 WeakPolarHBondContact OE1-CE 3.41Å; E540-K571 IonicContact OE1-NZ 3.84Å; E540-K571 PolarHBondContact OE1-NZ 3.09Å; E540-K571 WeakPolarHBondContact OE2-CE 3.2Å; E540-K571 IonicContact OE2-NZ 3.71Å; E540-K571 PolarHBondContact OE2-NZ 2.91Å; V567-K571 PolarHBondContact O-N 2.81Å; L568-K571 PolarHBondContact O-N 3Å; L569-K571 PolarHBondContact O-N 3.38Å; K571-Q573 HydrophobicContact CB-CG 4.46Å; K571-Q573 PolarHBondContact O-N 2.84Å; K571-Q573 VanDerWaalsContact O-N 3.13Å |
| 572 | Q | 77.4 | Confident | 78.9 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 15.1 | 178.7 | -66.5 | 177 | 12.4 | 0 | 0 | 114.5 | L568 L569 S570 V574 T602 | L568-Q572 PolarHBondContact O-N 3.07Å; L569-Q572 PolarHBondContact O-N 2.93Å; S570-Q572 VanDerWaalsContact C-N 3.28Å; Q572-V574 PolarHBondContact O-N 3.42Å; Q572-T602 HydrophobicContact CB-CG2 3.54Å; Q572-T602 HydrophobicContact CG-CG2 3.86Å |
| 573 | Q | 80.1 | Confident | 78.9 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | trans | -86.6 | 59.1 | 178 | -64.3 | -170.9 | -5.3 | 0 | 0 | 111.4 | L568 K571 L575 G576 A577 | L568-Q573 HydrophobicContact CD2-CB 4.39Å; L568-Q573 PolarHBondContact O-N 3.12Å; K571-Q573 HydrophobicContact CB-CG 4.46Å; K571-Q573 PolarHBondContact O-N 2.84Å; K571-Q573 VanDerWaalsContact O-N 3.13Å; Q573-L575 PolarHBondContact O-N 2.91Å; Q573-G576 WeakPolarHBondContact O-CA 3.42Å; Q573-G576 PolarHBondContact O-N 2.83Å; Q573-A577 PolarHBondContact O-N 2.91Å | ||
| 574 | V | 79.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -36.9 | -169.8 | -164.8 | 0 | 0 | 0 | 0 | 112.9 | L569 Q572 G576 A577 L578 F595 A598 I611 | L569-V574 HydrophobicContact CD2-CB 4.39Å; L569-V574 HydrophobicContact CD2-CG1 3.84Å; L569-V574 HydrophobicContact CD2-CG2 4.31Å; Q572-V574 PolarHBondContact O-N 3.42Å; V574-G576 VanDerWaalsContact C-N 3.34Å; V574-A577 PolarHBondContact O-N 2.88Å; V574-L578 PolarHBondContact O-N 2.85Å; V574-F595 HydrophobicContact CG1-CB 4.5Å; V574-F595 HydrophobicContact CG1-CD1 3.74Å; V574-F595 HydrophobicContact CG1-CE1 4.46Å; V574-A598 HydrophobicContact CG2-CB 3.89Å; V574-I611 HydrophobicContact CB-CD1 3.75Å; V574-I611 HydrophobicContact CG1-CD1 3.3Å; V574-I611 HydrophobicContact CG1-CG1 4.19Å; V574-I611 HydrophobicContact CG2-CD1 4.49Å |
| 575 | L | 77.6 | Confident | 78 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 173.4 | -68.2 | 173.4 | 0 | 0 | 0 | 112.6 | Q573 R579 L607 | Q573-L575 PolarHBondContact O-N 2.91Å; L575-R579 WeakPolarHBondContact O-CB 3.41Å; L575-R579 VanDerWaalsContact O-CG 3.25Å; L575-R579 WeakPolarHBondContact O-CG 3.21Å; L575-R579 PolarHBondContact O-N 2.87Å; L575-L607 HydrophobicContact CD1-CD1 3.8Å; L575-L607 HydrophobicContact CD2-CD1 4.05Å; L575-L607 HydrophobicContact CG-CD1 3.57Å |
| 576 | G | 78.1 | Confident | 77.4 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q573 V574 R579 F580 | Q573-G576 WeakPolarHBondContact O-CA 3.42Å; Q573-G576 PolarHBondContact O-N 2.83Å; V574-G576 VanDerWaalsContact C-N 3.34Å; G576-R579 PolarHBondContact O-N 2.96Å; G576-F580 WeakPolarHBondContact O-CB 3.43Å; G576-F580 PolarHBondContact O-N 2.84Å |
| 577 | A | 79.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L568 L569 Q573 V574 R579 F580 I581 F595 | L568-A577 HydrophobicContact CB-CB 3.84Å; L568-A577 HydrophobicContact CD1-CB 4.29Å; L569-A577 HydrophobicContact CD2-CB 4.11Å; L569-A577 HydrophobicContact CG-CB 4.23Å; Q573-A577 PolarHBondContact O-N 2.91Å; V574-A577 PolarHBondContact O-N 2.88Å; A577-R579 PolarHBondContact O-N 3.28Å; A577-F580 PolarHBondContact O-N 3.25Å; A577-I581 WeakPolarHBondContact O-CG1 3.46Å; A577-I581 PolarHBondContact O-N 2.82Å; A577-F595 HydrophobicContact CB-CE1 3.65Å; A577-F595 HydrophobicContact CB-CZ 3.98Å |
| 578 | L | 77.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 176.8 | -79.5 | 172 | 0 | 0 | 0 | 112.8 | V574 R582 F595 I611 F614 F615 | V574-L578 PolarHBondContact O-N 2.85Å; L578-R582 WeakPolarHBondContact O-CB 3.27Å; L578-R582 PolarHBondContact O-N 3.33Å; L578-F595 HydrophobicContact CD2-CD1 3.91Å; L578-F595 HydrophobicContact CD2-CE1 3.86Å; L578-F595 HydrophobicContact CG-CD1 3.83Å; L578-F595 HydrophobicContact CG-CE1 3.75Å; L578-I611 HydrophobicContact CD1-CG1 3.87Å; L578-I611 HydrophobicContact CD1-CG2 4.46Å; L578-F614 HydrophobicContact CD2-CD1 3.64Å; L578-F614 HydrophobicContact CD2-CE1 3.44Å; L578-F614 VanDerWaalsContact CD2-CE1 3.44Å; L578-F614 HydrophobicContact CD2-CG 4.38Å; L578-F614 HydrophobicContact CD2-CZ 4.02Å; L578-F615 HydrophobicContact CD2-CZ 4.46Å |
| 579 | R | 80.3 | Confident | 75.2 | Confident | 194 Ų | 194 | 70.1 Ų | 70.1 | 73% | 0.732 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.3 | -76 | 175.1 | -179.2 | -171.7 | 1.6 | 111.8 | L575 G576 A577 R582 S583 | L575-R579 WeakPolarHBondContact O-CB 3.41Å; L575-R579 VanDerWaalsContact O-CG 3.25Å; L575-R579 WeakPolarHBondContact O-CG 3.21Å; L575-R579 PolarHBondContact O-N 2.87Å; G576-R579 PolarHBondContact O-N 2.96Å; A577-R579 PolarHBondContact O-N 3.28Å; R579-R582 PolarHBondContact O-N 3.49Å; R579-S583 PolarHBondContact O-N 3.04Å; R579-S583 VanDerWaalsContact O-N 3.07Å |
| 580 | F | 80 | Confident | 74.7 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 13% | 0.132 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 178.1 | 178.6 | -102.5 | 0 | 0 | 0 | 111.4 | N561 I564 V565 L568 G576 A577 R582 S583 V584 | N561-F580 HydrophobicContact CB-CE1 4.27Å; I564-F580 HydrophobicContact CB-CD1 4.35Å; I564-F580 HydrophobicContact CB-CE1 3.85Å; I564-F580 HydrophobicContact CB-CZ 4.24Å; I564-F580 HydrophobicContact CD1-CE1 3.83Å; I564-F580 HydrophobicContact CD1-CE2 4.15Å; I564-F580 HydrophobicContact CD1-CZ 3.38Å; I564-F580 HydrophobicContact CG1-CE1 4.46Å; I564-F580 HydrophobicContact CG1-CZ 4.4Å; I564-F580 HydrophobicContact CG2-CD1 3.71Å; I564-F580 HydrophobicContact CG2-CD2 4.36Å; I564-F580 HydrophobicContact CG2-CE1 3.6Å; I564-F580 HydrophobicContact CG2-CE2 4.26Å; I564-F580 HydrophobicContact CG2-CG 4.11Å; I564-F580 HydrophobicContact CG2-CZ 3.9Å; V565-F580 HydrophobicContact CG2-CD1 4.23Å; L568-F580 HydrophobicContact CD1-CB 4.33Å; G576-F580 WeakPolarHBondContact O-CB 3.43Å; G576-F580 PolarHBondContact O-N 2.84Å; A577-F580 PolarHBondContact O-N 3.25Å; F580-R582 VanDerWaalsContact C-N 3.28Å; F580-R582 PolarHBondContact O-N 3.16Å; F580-S583 WeakPolarHBondContact O-CA 3.46Å; F580-S583 WeakPolarHBondContact O-CB 3.33Å; F580-S583 PolarHBondContact O-N 2.95Å; F580-S583 PolarHBondContact O-OG 2.92Å; F580-V584 HydrophobicContact CD1-CG2 4.39Å; F580-V584 HydrophobicContact CE1-CG2 3.91Å; F580-V584 HydrophobicContact CE2-CG2 4.04Å; F580-V584 HydrophobicContact CZ-CG2 3.7Å; F580-V584 WeakPolarHBondContact O-CG2 3.24Å; F580-V584 PolarHBondContact O-N 3.11Å; F580-V584 VanDerWaalsContact O-N 3.08Å |
| 581 | I | 77.9 | Confident | 74.5 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 175.6 | -73 | 166.9 | 0 | 0 | 0 | 111.7 | V565 A577 S583 V584 G585 G586 I590 F595 | V565-I581 HydrophobicContact CG1-CD1 4.12Å; V565-I581 HydrophobicContact CG2-CD1 3.6Å; V565-I581 HydrophobicContact CG2-CG1 3.47Å; V565-I581 VanDerWaalsContact CG2-CG1 3.47Å; A577-I581 WeakPolarHBondContact O-CG1 3.46Å; A577-I581 PolarHBondContact O-N 2.82Å; I581-S583 PolarHBondContact O-N 3.27Å; I581-V584 PolarHBondContact O-N 3.28Å; I581-V584 VanDerWaalsContact O-N 3.08Å; I581-G585 PolarHBondContact O-N 2.93Å; I581-G586 PolarHBondContact O-N 2.79Å; I581-I590 HydrophobicContact CB-CD1 4.38Å; I581-I590 HydrophobicContact CD1-CD1 3.91Å; I581-I590 HydrophobicContact CD1-CG1 3.9Å; I581-I590 HydrophobicContact CD1-CG2 4.08Å; I581-I590 HydrophobicContact CG2-CD1 3.21Å; I581-I590 HydrophobicContact CG2-CG1 3.87Å; I581-F595 HydrophobicContact CD1-CE1 4.08Å; I581-F595 HydrophobicContact CD1-CE2 3.96Å; I581-F595 HydrophobicContact CD1-CZ 3.28Å |
| 582 | R | 76.3 | Confident | 74.6 | Confident | 184 Ų | 184 | 64.4 Ų | 64.4 | 69% | 0.694 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.9 | -33.8 | 178.6 | -171.7 | 176.9 | 178.3 | 178.3 | -0.4 | 112.2 | L578 R579 F580 N587 | L578-R582 WeakPolarHBondContact O-CB 3.27Å; L578-R582 PolarHBondContact O-N 3.33Å; R579-R582 PolarHBondContact O-N 3.49Å; F580-R582 VanDerWaalsContact C-N 3.28Å; F580-R582 PolarHBondContact O-N 3.16Å; R582-N587 VanDerWaalsContact CA-OD1 3.25Å; R582-N587 WeakPolarHBondContact CA-OD1 3.26Å |
| 583 | S | 78.2 | Confident | 74.7 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.4 | -28 | 175.8 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | R579 F580 I581 | R579-S583 PolarHBondContact O-N 3.04Å; R579-S583 VanDerWaalsContact O-N 3.07Å; F580-S583 WeakPolarHBondContact O-CA 3.46Å; F580-S583 WeakPolarHBondContact O-CB 3.33Å; F580-S583 PolarHBondContact O-N 2.95Å; F580-S583 PolarHBondContact O-OG 2.92Å; I581-S583 PolarHBondContact O-N 3.27Å |
| 584 | V | 72.3 | Confident | 74.7 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -88.8 | -13 | -180 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | N561 F580 I581 G586 | N561-V584 HydrophobicContact CB-CG1 4.48Å; F580-V584 HydrophobicContact CD1-CG2 4.39Å; F580-V584 HydrophobicContact CE1-CG2 3.91Å; F580-V584 HydrophobicContact CE2-CG2 4.04Å; F580-V584 HydrophobicContact CZ-CG2 3.7Å; F580-V584 WeakPolarHBondContact O-CG2 3.24Å; F580-V584 PolarHBondContact O-N 3.11Å; F580-V584 VanDerWaalsContact O-N 3.08Å; I581-V584 PolarHBondContact O-N 3.28Å; I581-V584 VanDerWaalsContact O-N 3.08Å; V584-G586 VanDerWaalsContact C-N 3.35Å |
| 585 | G | 68.1 | Low | 74.7 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 6.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I581 N587 | I581-G585 PolarHBondContact O-N 2.93Å; G585-N587 VanDerWaalsContact C-N 3.26Å; G585-N587 PolarHBondContact O-N 3.26Å |
| 586 | G | 65.3 | Low | 74.7 | Confident | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | trans | -83.7 | 26.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | I581 V584 D588 I590 | I581-G586 PolarHBondContact O-N 2.79Å; V584-G586 VanDerWaalsContact C-N 3.35Å; G586-D588 PolarHBondContact O-N 2.84Å; G586-I590 WeakPolarHBondContact O-CD1 3.46Å; G586-I590 VanDerWaalsContact O-CG1 3.31Å; G586-I590 WeakPolarHBondContact O-CG1 3.39Å | ||
| 587 | N | 63.9 | Low | 74.9 | Confident | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.1 | -170.5 | -71 | -32.3 | 0 | 0 | 0 | 114.4 | R582 G585 I590 R618 | R582-N587 VanDerWaalsContact CA-OD1 3.25Å; R582-N587 WeakPolarHBondContact CA-OD1 3.26Å; G585-N587 VanDerWaalsContact C-N 3.26Å; G585-N587 PolarHBondContact O-N 3.26Å; N587-I590 VanDerWaalsContact O-CD1 3.29Å; N587-I590 WeakPolarHBondContact O-CD1 3.44Å; N587-R618 WeakPolarHBondContact O-CD 3.35Å |
| 588 | D | 62.3 | Low | 74.8 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -21.6 | -165.5 | -60.1 | -27.9 | 0 | 0 | 0 | 113.6 | G586 L622 | G586-D588 PolarHBondContact O-N 2.84Å; D588-L622 HydrophobicContact CB-CD1 3.86Å; D588-L622 HydrophobicContact CB-CD2 3.94Å; D588-L622 HydrophobicContact CB-CG 4.47Å |
| 589 | N | 67.1 | Low | 74.9 | Confident | 167 Ų | 167 | 61.6 Ų | 61.6 | 89% | 0.893 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -101.7 | 10.4 | -171.7 | -115.5 | 13.1 | 0 | 0 | 0 | 115.1 | ||
| 590 | I | 72.6 | Confident | 74.8 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | trans | -88.4 | 142.7 | -172 | -48.3 | 135.5 | 0 | 0 | 0 | 111.5 | I581 G586 N587 A592 F595 R618 | I581-I590 HydrophobicContact CB-CD1 4.38Å; I581-I590 HydrophobicContact CD1-CD1 3.91Å; I581-I590 HydrophobicContact CD1-CG1 3.9Å; I581-I590 HydrophobicContact CD1-CG2 4.08Å; I581-I590 HydrophobicContact CG2-CD1 3.21Å; I581-I590 HydrophobicContact CG2-CG1 3.87Å; G586-I590 WeakPolarHBondContact O-CD1 3.46Å; G586-I590 VanDerWaalsContact O-CG1 3.31Å; G586-I590 WeakPolarHBondContact O-CG1 3.39Å; N587-I590 VanDerWaalsContact O-CD1 3.29Å; N587-I590 WeakPolarHBondContact O-CD1 3.44Å; I590-A592 PolarHBondContact O-N 3.36Å; I590-F595 HydrophobicContact CG2-CD2 3.72Å; I590-F595 HydrophobicContact CG2-CE2 3.23Å; I590-F595 HydrophobicContact CG2-CZ 4.07Å; I590-R618 PolarHBondContact O-NH1 3.24Å; I590-R618 PolarHBondContact O-NH2 2.78Å | ||
| 591 | S | 76.3 | Confident | 74.7 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | trans | -70.9 | 113.6 | 169.9 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | R593 K594 | S591-R593 VanDerWaalsContact C-N 3.28Å; S591-R593 PolarHBondContact O-N 2.98Å; S591-K594 WeakPolarHBondContact OG-CD 3.46Å; S591-K594 VanDerWaalsContact OG-CG 3.31Å; S591-K594 WeakPolarHBondContact OG-CG 3.31Å | ||
| 592 | A | 75.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I590 K594 F595 L596 F615 F628 | I590-A592 PolarHBondContact O-N 3.36Å; A592-K594 PolarHBondContact O-N 2.92Å; A592-F595 PolarHBondContact O-N 2.83Å; A592-L596 WeakPolarHBondContact O-CG 3.18Å; A592-L596 PolarHBondContact O-N 2.82Å; A592-F615 HydrophobicContact CB-CB 4.35Å; A592-F615 HydrophobicContact CB-CD1 3.65Å; A592-F615 HydrophobicContact CB-CD2 4.14Å; A592-F615 HydrophobicContact CB-CE1 3.91Å; A592-F615 HydrophobicContact CB-CE2 4.38Å; A592-F615 HydrophobicContact CB-CG 3.78Å; A592-F615 HydrophobicContact CB-CZ 4.27Å; A592-F628 HydrophobicContact CB-CD1 4.07Å; A592-F628 HydrophobicContact CB-CE1 3.67Å |
| 593 | R | 79.9 | Confident | 74.3 | Confident | 110 Ų | 110 | 57 Ų | 57 | 42% | 0.415 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -52.4 | -54.3 | 178.9 | -177.3 | 173 | 177.3 | -179.5 | 5.7 | 113.2 | S591 F595 L596 D597 | S591-R593 VanDerWaalsContact C-N 3.28Å; S591-R593 PolarHBondContact O-N 2.98Å; R593-F595 PolarHBondContact O-N 2.83Å; R593-F595 VanDerWaalsContact O-N 3.15Å; R593-L596 PolarHBondContact O-N 2.77Å; R593-L596 VanDerWaalsContact O-N 3.09Å; R593-D597 VanDerWaalsContact CG-OD2 3.31Å; R593-D597 WeakPolarHBondContact CG-OD2 3.45Å; R593-D597 IonicContact NE-OD2 2.69Å; R593-D597 WeakPolarHBondContact O-CB 3.37Å; R593-D597 PolarHBondContact O-N 3.18Å |
| 594 | K | 79.8 | Confident | 74.4 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.8 | -35.7 | -178.1 | -66.6 | -173.2 | -177.3 | -179.5 | 0 | 113.1 | E566 L569 S591 A592 A598 | E566-K594 IonicContact OE1-NZ 2.85Å; E566-K594 PolarHBondContact OE1-NZ 2.78Å; L569-K594 HydrophobicContact CD1-CB 4.12Å; S591-K594 WeakPolarHBondContact OG-CD 3.46Å; S591-K594 VanDerWaalsContact OG-CG 3.31Å; S591-K594 WeakPolarHBondContact OG-CG 3.31Å; A592-K594 PolarHBondContact O-N 2.92Å; K594-A598 WeakPolarHBondContact O-CB 3.42Å; K594-A598 PolarHBondContact O-N 2.85Å |
| 595 | F | 80.3 | Confident | 74.6 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.9 | -38.8 | 179.2 | -80.1 | -101.7 | 0 | 0 | 0 | 112.4 | V565 L569 V574 A577 L578 I581 I590 A592 R593 A599 I611 F615 | V565-F595 HydrophobicContact CG1-CE2 3.65Å; V565-F595 HydrophobicContact CG1-CZ 3.43Å; V565-F595 VanDerWaalsContact CG1-CZ 3.43Å; L569-F595 HydrophobicContact CD1-CD2 4Å; L569-F595 HydrophobicContact CD1-CE1 4.47Å; L569-F595 HydrophobicContact CD1-CE2 3.77Å; L569-F595 HydrophobicContact CD1-CG 4.41Å; L569-F595 HydrophobicContact CD1-CZ 4.01Å; L569-F595 HydrophobicContact CD2-CD1 3.76Å; L569-F595 HydrophobicContact CD2-CD2 4.47Å; L569-F595 HydrophobicContact CD2-CE1 3.83Å; L569-F595 HydrophobicContact CD2-CG 4.08Å; L569-F595 HydrophobicContact CD2-CZ 4.18Å; L569-F595 HydrophobicContact CG-CE1 4.46Å; L569-F595 HydrophobicContact CG-CZ 4.35Å; V574-F595 HydrophobicContact CG1-CB 4.5Å; V574-F595 HydrophobicContact CG1-CD1 3.74Å; V574-F595 HydrophobicContact CG1-CE1 4.46Å; A577-F595 HydrophobicContact CB-CE1 3.65Å; A577-F595 HydrophobicContact CB-CZ 3.98Å; L578-F595 HydrophobicContact CD2-CD1 3.91Å; L578-F595 HydrophobicContact CD2-CE1 3.86Å; L578-F595 HydrophobicContact CG-CD1 3.83Å; L578-F595 HydrophobicContact CG-CE1 3.75Å; I581-F595 HydrophobicContact CD1-CE1 4.08Å; I581-F595 HydrophobicContact CD1-CE2 3.96Å; I581-F595 HydrophobicContact CD1-CZ 3.28Å; I590-F595 HydrophobicContact CG2-CD2 3.72Å; I590-F595 HydrophobicContact CG2-CE2 3.23Å; I590-F595 HydrophobicContact CG2-CZ 4.07Å; A592-F595 PolarHBondContact O-N 2.83Å; R593-F595 PolarHBondContact O-N 2.83Å; R593-F595 VanDerWaalsContact O-N 3.15Å; F595-A599 VanDerWaalsContact O-CB 3.28Å; F595-A599 WeakPolarHBondContact O-CB 3.49Å; F595-A599 PolarHBondContact O-N 2.88Å; F595-I611 HydrophobicContact CB-CG2 4.12Å; F595-F615 HydrophobicContact CB-CE2 3.46Å; F595-F615 VanDerWaalsContact CB-CE2 3.46Å; F595-F615 HydrophobicContact CB-CZ 3.75Å; F595-F615 HydrophobicContact CD1-CE2 4.5Å; F595-F615 HydrophobicContact CD1-CZ 4.38Å; F595-F615 AromaticContact CD2-CZ 3.99Å; F595-F615 HydrophobicContact CD2-CZ 3.99Å; F595-F615 AromaticContact CG-CE2 3.95Å; F595-F615 HydrophobicContact CG-CE2 3.95Å; F595-F615 AromaticContact CG-CZ 3.77Å; F595-F615 HydrophobicContact CG-CZ 3.77Å |
| 596 | L | 77.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 177 | -68.7 | 172.6 | 0 | 0 | 0 | 111.6 | A592 R593 A599 L600 F608 I611 F612 F628 H637 | A592-L596 WeakPolarHBondContact O-CG 3.18Å; A592-L596 PolarHBondContact O-N 2.82Å; R593-L596 PolarHBondContact O-N 2.77Å; R593-L596 VanDerWaalsContact O-N 3.09Å; L596-A599 PolarHBondContact O-N 2.78Å; L596-L600 WeakPolarHBondContact O-CB 2.99Å; L596-L600 PolarHBondContact O-N 2.87Å; L596-F608 HydrophobicContact CB-CE2 4.35Å; L596-F608 HydrophobicContact CD2-CE2 4.09Å; L596-F608 HydrophobicContact CD2-CZ 4.34Å; L596-I611 HydrophobicContact CD2-CG2 4.09Å; L596-F612 HydrophobicContact CD1-CD2 4.31Å; L596-F612 HydrophobicContact CD2-CB 4.07Å; L596-F612 HydrophobicContact CD2-CD2 3.93Å; L596-F612 HydrophobicContact CD2-CG 4.48Å; L596-F628 HydrophobicContact CD1-CE1 4.35Å; L596-F628 HydrophobicContact CD1-CZ 4.26Å; L596-H637 HydrophobicContact CB-CB 4.28Å; L596-H637 HydrophobicContact CD1-CB 3.99Å |
| 597 | D | 81.1 | Confident | 75.7 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.6 | -49.7 | 171.5 | -80.2 | -43 | 0 | 0 | 0 | 111.3 | R593 A599 L600 Q601 H637 | R593-D597 VanDerWaalsContact CG-OD2 3.31Å; R593-D597 WeakPolarHBondContact CG-OD2 3.45Å; R593-D597 IonicContact NE-OD2 2.69Å; R593-D597 WeakPolarHBondContact O-CB 3.37Å; R593-D597 PolarHBondContact O-N 3.18Å; D597-A599 VanDerWaalsContact C-N 3.32Å; D597-A599 PolarHBondContact O-N 2.97Å; D597-L600 WeakPolarHBondContact O-CB 3.48Å; D597-L600 PolarHBondContact O-N 3Å; D597-Q601 WeakPolarHBondContact O-CG 3.39Å; D597-Q601 PolarHBondContact O-N 2.89Å; D597-H637 IonicContact OD1-CE1 3.08Å; D597-H637 PolarHBondContact OD1-CE1 3.31Å; D597-H637 IonicContact OD1-NE2 2.7Å; D597-H637 PolarHBondContact OD1-NE2 2.96Å; D597-H637 VanDerWaalsContact OD1-NE2 3.14Å; D597-H637 IonicContact OD2-NE2 2.78Å |
| 598 | A | 77.8 | Confident | 76.4 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 5% | 0.05 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L569 V574 K594 T602 | L569-A598 HydrophobicContact CB-CB 4.27Å; L569-A598 HydrophobicContact CD2-CB 3.83Å; V574-A598 HydrophobicContact CG2-CB 3.89Å; K594-A598 WeakPolarHBondContact O-CB 3.42Å; K594-A598 PolarHBondContact O-N 2.85Å; A598-T602 PolarHBondContact O-N 3.03Å; A598-T602 PolarHBondContact O-OG1 2.88Å |
| 599 | A | 79.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -32.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F595 L596 D597 T602 F608 I611 | F595-A599 VanDerWaalsContact O-CB 3.28Å; F595-A599 WeakPolarHBondContact O-CB 3.49Å; F595-A599 PolarHBondContact O-N 2.88Å; L596-A599 PolarHBondContact O-N 2.78Å; D597-A599 VanDerWaalsContact C-N 3.32Å; D597-A599 PolarHBondContact O-N 2.97Å; A599-T602 VanDerWaalsContact CA-OG1 3.31Å; A599-T602 WeakPolarHBondContact CA-OG1 3.24Å; A599-T602 PolarHBondContact O-OG1 3.49Å; A599-F608 HydrophobicContact CB-CB 4.43Å; A599-F608 HydrophobicContact CB-CD2 3.9Å; A599-I611 HydrophobicContact CB-CD1 3.49Å; A599-I611 VanDerWaalsContact CB-CD1 3.49Å |
| 600 | L | 78.4 | Confident | 77.9 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 175.4 | -171 | 68.1 | 0 | 0 | 0 | 110.8 | L596 D597 T602 A603 F608 Y640 | L596-L600 WeakPolarHBondContact O-CB 2.99Å; L596-L600 PolarHBondContact O-N 2.87Å; D597-L600 WeakPolarHBondContact O-CB 3.48Å; D597-L600 PolarHBondContact O-N 3Å; L600-T602 PolarHBondContact O-N 3.38Å; L600-A603 PolarHBondContact O-N 3.21Å; L600-F608 HydrophobicContact CB-CD2 4.41Å; L600-F608 HydrophobicContact CB-CE2 4.34Å; L600-F608 HydrophobicContact CD1-CE2 4.37Å; L600-Y640 HydrophobicContact CD1-CD1 3.54Å; L600-Y640 HydrophobicContact CD1-CD2 4.19Å; L600-Y640 HydrophobicContact CD1-CE1 3.2Å; L600-Y640 HydrophobicContact CD1-CE2 3.91Å; L600-Y640 HydrophobicContact CD1-CG 4.01Å |
| 601 | Q | 78.6 | Confident | 78.2 | Confident | 138 Ų | 138 | 54 Ų | 54 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.8 | -21.3 | 178.3 | -71.4 | 175.1 | 10.8 | 0 | 0 | 113.9 | D597 A603 | D597-Q601 WeakPolarHBondContact O-CG 3.39Å; D597-Q601 PolarHBondContact O-N 2.89Å; Q601-A603 VanDerWaalsContact C-N 3.3Å |
| 602 | T | 74 | Confident | 78.3 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11 | 176.8 | 11.6 | 0 | 0 | 0 | 0 | 113.7 | Q572 A598 A599 L600 D604 L607 | Q572-T602 HydrophobicContact CB-CG2 3.54Å; Q572-T602 HydrophobicContact CG-CG2 3.86Å; A598-T602 PolarHBondContact O-N 3.03Å; A598-T602 PolarHBondContact O-OG1 2.88Å; A599-T602 VanDerWaalsContact CA-OG1 3.31Å; A599-T602 WeakPolarHBondContact CA-OG1 3.24Å; A599-T602 PolarHBondContact O-OG1 3.49Å; L600-T602 PolarHBondContact O-N 3.38Å; T602-D604 PolarHBondContact O-N 3.5Å; T602-L607 HydrophobicContact CG2-CD2 4.25Å |
| 603 | A | 71.8 | Confident | 78.5 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 70% | 0.702 | 27% | 0.274 | S | S | * | . | trans | 55.5 | 10.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L600 Q601 | L600-A603 PolarHBondContact O-N 3.21Å; Q601-A603 VanDerWaalsContact C-N 3.3Å | ||
| 604 | D | 79.6 | Confident | 78.5 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | trans | -90.1 | 107.1 | 175.8 | -177.9 | -8.4 | 0 | 0 | 0 | 110.1 | T602 M606 L607 F608 | T602-D604 PolarHBondContact O-N 3.5Å; D604-M606 VanDerWaalsContact C-N 3.29Å; D604-M606 PolarHBondContact O-N 3.21Å; D604-M606 PolarHBondContact OD1-N 3.1Å; D604-L607 HydrophobicContact CB-CB 3.77Å; D604-L607 HydrophobicContact CB-CD2 4.46Å; D604-L607 PolarHBondContact O-N 2.81Å; D604-L607 PolarHBondContact OD1-N 2.94Å; D604-F608 PolarHBondContact O-N 2.87Å | ||
| 605 | Q | 76.3 | Confident | 78.5 | Confident | 109 Ų | 109 | 47 Ų | 47 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -37.5 | -179.8 | -70 | -178.8 | -6.2 | 0 | 0 | 112.3 | Y609 V644 F645 | Q605-Y609 WeakPolarHBondContact O-CB 3.22Å; Q605-Y609 PolarHBondContact O-N 2.93Å; Q605-V644 HydrophobicContact CG-CG1 4.27Å; Q605-F645 HydrophobicContact CB-CE1 4.36Å; Q605-F645 HydrophobicContact CB-CZ 3.88Å; Q605-F645 WeakPolarHBondContact O-CZ 3.23Å |
| 606 | M | 78.6 | Confident | 78.3 | Confident | 132 Ų | 132 | 47.1 Ų | 47.1 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73.2 | -36.9 | -178.5 | -70.1 | -66.5 | -74 | 0 | 0 | 111.7 | D604 T610 | D604-M606 VanDerWaalsContact C-N 3.29Å; D604-M606 PolarHBondContact O-N 3.21Å; D604-M606 PolarHBondContact OD1-N 3.1Å; M606-T610 WeakPolarHBondContact O-CB 3.43Å; M606-T610 PolarHBondContact O-N 2.79Å; M606-T610 PolarHBondContact O-OG1 2.93Å |
| 607 | L | 78.2 | Confident | 78.4 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 174 | -177.2 | 67.6 | 0 | 0 | 0 | 110.8 | L575 T602 D604 Y609 T610 I611 | L575-L607 HydrophobicContact CD1-CD1 3.8Å; L575-L607 HydrophobicContact CD2-CD1 4.05Å; L575-L607 HydrophobicContact CG-CD1 3.57Å; T602-L607 HydrophobicContact CG2-CD2 4.25Å; D604-L607 HydrophobicContact CB-CB 3.77Å; D604-L607 HydrophobicContact CB-CD2 4.46Å; D604-L607 PolarHBondContact O-N 2.81Å; D604-L607 PolarHBondContact OD1-N 2.94Å; L607-Y609 PolarHBondContact O-N 2.58Å; L607-T610 PolarHBondContact O-N 3.05Å; L607-I611 HydrophobicContact CD1-CD1 3.87Å; L607-I611 HydrophobicContact CG-CD1 3.75Å; L607-I611 WeakPolarHBondContact O-CD1 3.45Å; L607-I611 VanDerWaalsContact O-CG1 3.28Å; L607-I611 WeakPolarHBondContact O-CG1 3.28Å; L607-I611 PolarHBondContact O-N 3.28Å |
| 608 | F | 78.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177 | -174.4 | -93.1 | 0 | 0 | 0 | 112 | L596 A599 L600 D604 T610 I611 F612 H637 Y640 F641 F645 | L596-F608 HydrophobicContact CB-CE2 4.35Å; L596-F608 HydrophobicContact CD2-CE2 4.09Å; L596-F608 HydrophobicContact CD2-CZ 4.34Å; A599-F608 HydrophobicContact CB-CB 4.43Å; A599-F608 HydrophobicContact CB-CD2 3.9Å; L600-F608 HydrophobicContact CB-CD2 4.41Å; L600-F608 HydrophobicContact CB-CE2 4.34Å; L600-F608 HydrophobicContact CD1-CE2 4.37Å; D604-F608 PolarHBondContact O-N 2.87Å; F608-T610 VanDerWaalsContact C-N 3.33Å; F608-T610 PolarHBondContact O-N 2.82Å; F608-I611 PolarHBondContact O-N 3.29Å; F608-F612 HydrophobicContact CE1-CD2 4.4Å; F608-F612 HydrophobicContact CZ-CD2 4.47Å; F608-F612 VanDerWaalsContact O-CB 3.3Å; F608-F612 WeakPolarHBondContact O-CB 3.38Å; F608-F612 PolarHBondContact O-N 2.76Å; F608-H637 HydrophobicContact CZ-CB 4.26Å; F608-Y640 HydrophobicContact CD1-CD1 4.24Å; F608-Y640 HydrophobicContact CD1-CE1 4.23Å; F608-Y640 AromaticContact CE1-CD1 3.69Å; F608-Y640 HydrophobicContact CE1-CD1 3.69Å; F608-Y640 HydrophobicContact CE1-CE1 4.14Å; F608-Y640 HydrophobicContact CE2-CD1 4.28Å; F608-Y640 HydrophobicContact CG-CE1 4.49Å; F608-Y640 AromaticContact CZ-CD1 3.72Å; F608-Y640 HydrophobicContact CZ-CD1 3.72Å; F608-Y640 HydrophobicContact CZ-CE1 4.34Å; F608-F641 HydrophobicContact CD1-CD2 4.26Å; F608-F641 HydrophobicContact CE1-CB 4.04Å; F608-F641 AromaticContact CE1-CD2 3.92Å; F608-F641 HydrophobicContact CE1-CD2 3.92Å; F608-F641 HydrophobicContact CE1-CG 4.49Å; F608-F645 HydrophobicContact CD1-CE2 4.13Å |
| 609 | Y | 79.1 | Confident | 78.2 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.6 | 178.7 | -94.8 | 0 | 0 | 0 | 112.1 | Q605 L607 I611 F612 R613 F641 F645 A649 | Q605-Y609 WeakPolarHBondContact O-CB 3.22Å; Q605-Y609 PolarHBondContact O-N 2.93Å; L607-Y609 PolarHBondContact O-N 2.58Å; Y609-I611 PolarHBondContact O-N 2.91Å; Y609-F612 PolarHBondContact O-N 3.46Å; Y609-R613 HydrophobicContact CD1-CG 4.19Å; Y609-R613 HydrophobicContact CE1-CG 3.81Å; Y609-R613 HydrophobicContact CE2-CG 4.29Å; Y609-R613 WeakPolarHBondContact O-CB 3.33Å; Y609-R613 VanDerWaalsContact O-CG 3.29Å; Y609-R613 WeakPolarHBondContact O-CG 3.45Å; Y609-R613 PolarHBondContact O-N 2.78Å; Y609-R613 PolarHBondContact OH-NE 2.99Å; Y609-R613 PolarHBondContact OH-NH2 3.29Å; Y609-R613 VanDerWaalsContact OH-NH2 3.09Å; Y609-F641 AromaticContact CD2-CE2 3.5Å; Y609-F641 HydrophobicContact CD2-CE2 3.5Å; Y609-F641 AromaticContact CD2-CZ 3.64Å; Y609-F641 HydrophobicContact CD2-CZ 3.64Å; Y609-F641 HydrophobicContact CE2-CE2 4.07Å; Y609-F641 AromaticContact CE2-CZ 3.71Å; Y609-F641 HydrophobicContact CE2-CZ 3.71Å; Y609-F641 HydrophobicContact CG-CE2 4.36Å; Y609-F645 HydrophobicContact CD2-CD1 4.15Å; Y609-F645 HydrophobicContact CD2-CD2 4.42Å; Y609-F645 HydrophobicContact CD2-CE1 4.44Å; Y609-F645 HydrophobicContact CD2-CG 4.15Å; Y609-A649 HydrophobicContact CE2-CB 4.43Å |
| 610 | T | 81 | Confident | 78.1 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | -178.1 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | M606 L607 F608 F614 | M606-T610 WeakPolarHBondContact O-CB 3.43Å; M606-T610 PolarHBondContact O-N 2.79Å; M606-T610 PolarHBondContact O-OG1 2.93Å; L607-T610 PolarHBondContact O-N 3.05Å; F608-T610 VanDerWaalsContact C-N 3.33Å; F608-T610 PolarHBondContact O-N 2.82Å; T610-F614 PolarHBondContact O-N 2.82Å |
| 611 | I | 80 | Confident | 78 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.3 | -41.7 | -179.8 | -65.4 | 161.3 | 0 | 0 | 0 | 110.4 | V574 L578 F595 L596 A599 L607 F608 Y609 R613 F614 F615 | V574-I611 HydrophobicContact CB-CD1 3.75Å; V574-I611 HydrophobicContact CG1-CD1 3.3Å; V574-I611 HydrophobicContact CG1-CG1 4.19Å; V574-I611 HydrophobicContact CG2-CD1 4.49Å; L578-I611 HydrophobicContact CD1-CG1 3.87Å; L578-I611 HydrophobicContact CD1-CG2 4.46Å; F595-I611 HydrophobicContact CB-CG2 4.12Å; L596-I611 HydrophobicContact CD2-CG2 4.09Å; A599-I611 HydrophobicContact CB-CD1 3.49Å; A599-I611 VanDerWaalsContact CB-CD1 3.49Å; L607-I611 HydrophobicContact CD1-CD1 3.87Å; L607-I611 HydrophobicContact CG-CD1 3.75Å; L607-I611 WeakPolarHBondContact O-CD1 3.45Å; L607-I611 VanDerWaalsContact O-CG1 3.28Å; L607-I611 WeakPolarHBondContact O-CG1 3.28Å; L607-I611 PolarHBondContact O-N 3.28Å; F608-I611 PolarHBondContact O-N 3.29Å; Y609-I611 PolarHBondContact O-N 2.91Å; I611-R613 VanDerWaalsContact C-N 3.35Å; I611-R613 PolarHBondContact O-N 3.37Å; I611-F614 WeakPolarHBondContact O-CB 3.48Å; I611-F614 PolarHBondContact O-N 2.91Å; I611-F615 HydrophobicContact CG2-CD2 3.94Å; I611-F615 HydrophobicContact CG2-CE2 3.72Å; I611-F615 VanDerWaalsContact O-CD2 3.26Å; I611-F615 WeakPolarHBondContact O-CD2 3.33Å; I611-F615 PolarHBondContact O-N 3.13Å; I611-F615 VanDerWaalsContact O-N 3.13Å |
| 612 | F | 78.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.9 | -168.1 | -86.2 | 0 | 0 | 0 | 111.3 | L596 F608 Y609 F614 F615 E616 F628 V638 F641 L650 | L596-F612 HydrophobicContact CD1-CD2 4.31Å; L596-F612 HydrophobicContact CD2-CB 4.07Å; L596-F612 HydrophobicContact CD2-CD2 3.93Å; L596-F612 HydrophobicContact CD2-CG 4.48Å; F608-F612 HydrophobicContact CE1-CD2 4.4Å; F608-F612 HydrophobicContact CZ-CD2 4.47Å; F608-F612 VanDerWaalsContact O-CB 3.3Å; F608-F612 WeakPolarHBondContact O-CB 3.38Å; F608-F612 PolarHBondContact O-N 2.76Å; Y609-F612 PolarHBondContact O-N 3.46Å; F612-F614 VanDerWaalsContact C-N 3.34Å; F612-F614 PolarHBondContact O-N 3.36Å; F612-F615 PolarHBondContact O-N 3.23Å; F612-E616 HydrophobicContact CD1-CG 4Å; F612-E616 HydrophobicContact CE1-CG 3.81Å; F612-E616 PolarHBondContact O-N 2.99Å; F612-F628 HydrophobicContact CD2-CE2 4.37Å; F612-F628 HydrophobicContact CD2-CZ 4.5Å; F612-F628 HydrophobicContact CE1-CE2 4.34Å; F612-F628 AromaticContact CE2-CE2 3.76Å; F612-F628 HydrophobicContact CE2-CE2 3.76Å; F612-F628 HydrophobicContact CE2-CZ 4.31Å; F612-F628 AromaticContact CZ-CE2 3.75Å; F612-F628 HydrophobicContact CZ-CE2 3.75Å; F612-V638 HydrophobicContact CE2-CG2 4.02Å; F612-V638 HydrophobicContact CZ-CG2 4.04Å; F612-F641 HydrophobicContact CB-CD2 3.88Å; F612-F641 HydrophobicContact CB-CE2 3.9Å; F612-F641 HydrophobicContact CD1-CD1 4.16Å; F612-F641 AromaticContact CD1-CD2 3.5Å; F612-F641 HydrophobicContact CD1-CD2 3.5Å; F612-F641 HydrophobicContact CD1-CE1 4.13Å; F612-F641 AromaticContact CD1-CE2 3.44Å; F612-F641 HydrophobicContact CD1-CE2 3.44Å; F612-F641 VanDerWaalsContact CD1-CE2 3.44Å; F612-F641 AromaticContact CD1-CG 3.87Å; F612-F641 HydrophobicContact CD1-CG 3.87Å; F612-F641 AromaticContact CD1-CZ 3.77Å; F612-F641 HydrophobicContact CD1-CZ 3.77Å; F612-F641 HydrophobicContact CD2-CB 4.21Å; F612-F641 AromaticContact CD2-CD2 3.93Å; F612-F641 HydrophobicContact CD2-CD2 3.93Å; F612-F641 HydrophobicContact CD2-CG 4.19Å; F612-F641 HydrophobicContact CE1-CB 4.41Å; F612-F641 AromaticContact CE1-CD1 3.82Å; F612-F641 HydrophobicContact CE1-CD1 3.82Å; F612-F641 AromaticContact CE1-CD2 3.95Å; F612-F641 HydrophobicContact CE1-CD2 3.95Å; F612-F641 AromaticContact CE1-CE1 3.99Å; F612-F641 HydrophobicContact CE1-CE1 3.99Å; F612-F641 HydrophobicContact CE1-CE2 4.1Å; F612-F641 AromaticContact CE1-CG 3.8Å; F612-F641 HydrophobicContact CE1-CG 3.8Å; F612-F641 HydrophobicContact CE1-CZ 4.12Å; F612-F641 HydrophobicContact CE2-CB 3.93Å; F612-F641 HydrophobicContact CE2-CD2 4.33Å; F612-F641 HydrophobicContact CE2-CG 4.12Å; F612-F641 AromaticContact CG-CD2 3.48Å; F612-F641 HydrophobicContact CG-CD2 3.48Å; F612-F641 VanDerWaalsContact CG-CD2 3.48Å; F612-F641 AromaticContact CG-CE2 3.75Å; F612-F641 HydrophobicContact CG-CE2 3.75Å; F612-F641 HydrophobicContact CG-CG 4.06Å; F612-F641 HydrophobicContact CZ-CB 4.03Å; F612-F641 HydrophobicContact CZ-CD1 4.15Å; F612-F641 HydrophobicContact CZ-CD2 4.33Å; F612-F641 AromaticContact CZ-CG 3.92Å; F612-F641 HydrophobicContact CZ-CG 3.92Å; F612-L650 HydrophobicContact CE1-CD2 3.86Å; F612-L650 HydrophobicContact CZ-CD2 4.06Å |
| 613 | R | 79.8 | Confident | 77.4 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -40 | 173.7 | -76.5 | -57.8 | -158.8 | -173.7 | 1.2 | 113.4 | Y609 I611 F615 E616 Q617 A649 M651 | Y609-R613 HydrophobicContact CD1-CG 4.19Å; Y609-R613 HydrophobicContact CE1-CG 3.81Å; Y609-R613 HydrophobicContact CE2-CG 4.29Å; Y609-R613 WeakPolarHBondContact O-CB 3.33Å; Y609-R613 VanDerWaalsContact O-CG 3.29Å; Y609-R613 WeakPolarHBondContact O-CG 3.45Å; Y609-R613 PolarHBondContact O-N 2.78Å; Y609-R613 PolarHBondContact OH-NE 2.99Å; Y609-R613 PolarHBondContact OH-NH2 3.29Å; Y609-R613 VanDerWaalsContact OH-NH2 3.09Å; I611-R613 VanDerWaalsContact C-N 3.35Å; I611-R613 PolarHBondContact O-N 3.37Å; R613-F615 VanDerWaalsContact C-N 3.33Å; R613-F615 PolarHBondContact O-N 2.67Å; R613-E616 WeakPolarHBondContact CD-OE2 3.31Å; R613-E616 IonicContact CZ-OE2 3.91Å; R613-E616 IonicContact NE-OE2 3.08Å; R613-E616 IonicContact NH1-OE2 3.27Å; R613-E616 PolarHBondContact NH1-OE2 2.99Å; R613-E616 PolarHBondContact O-N 3.28Å; R613-Q617 WeakPolarHBondContact O-CB 3.13Å; R613-Q617 WeakPolarHBondContact O-CG 3.16Å; R613-Q617 PolarHBondContact O-N 3.15Å; R613-A649 PolarHBondContact NH1-O 3.28Å; R613-A649 PolarHBondContact NH2-O 3.15Å; R613-M651 VanDerWaalsContact NH1-N 3.2Å |
| 614 | F | 80.3 | Confident | 77.2 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 25% | 0.25 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.3 | 175.2 | -93 | 0 | 0 | 0 | 111.5 | L578 T610 I611 F612 Q617 R618 | L578-F614 HydrophobicContact CD2-CD1 3.64Å; L578-F614 HydrophobicContact CD2-CE1 3.44Å; L578-F614 VanDerWaalsContact CD2-CE1 3.44Å; L578-F614 HydrophobicContact CD2-CG 4.38Å; L578-F614 HydrophobicContact CD2-CZ 4.02Å; T610-F614 PolarHBondContact O-N 2.82Å; I611-F614 WeakPolarHBondContact O-CB 3.48Å; I611-F614 PolarHBondContact O-N 2.91Å; F612-F614 VanDerWaalsContact C-N 3.34Å; F612-F614 PolarHBondContact O-N 3.36Å; F614-Q617 PolarHBondContact O-N 2.8Å; F614-R618 PolarHBondContact O-N 2.82Å |
| 615 | F | 79.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.4 | -34.3 | 177.5 | -72.9 | -68.4 | 0 | 0 | 0 | 113.4 | L578 A592 F595 I611 F612 R613 Q617 R618 N619 F628 | L578-F615 HydrophobicContact CD2-CZ 4.46Å; A592-F615 HydrophobicContact CB-CB 4.35Å; A592-F615 HydrophobicContact CB-CD1 3.65Å; A592-F615 HydrophobicContact CB-CD2 4.14Å; A592-F615 HydrophobicContact CB-CE1 3.91Å; A592-F615 HydrophobicContact CB-CE2 4.38Å; A592-F615 HydrophobicContact CB-CG 3.78Å; A592-F615 HydrophobicContact CB-CZ 4.27Å; F595-F615 HydrophobicContact CB-CE2 3.46Å; F595-F615 VanDerWaalsContact CB-CE2 3.46Å; F595-F615 HydrophobicContact CB-CZ 3.75Å; F595-F615 HydrophobicContact CD1-CE2 4.5Å; F595-F615 HydrophobicContact CD1-CZ 4.38Å; F595-F615 AromaticContact CD2-CZ 3.99Å; F595-F615 HydrophobicContact CD2-CZ 3.99Å; F595-F615 AromaticContact CG-CE2 3.95Å; F595-F615 HydrophobicContact CG-CE2 3.95Å; F595-F615 AromaticContact CG-CZ 3.77Å; F595-F615 HydrophobicContact CG-CZ 3.77Å; I611-F615 HydrophobicContact CG2-CD2 3.94Å; I611-F615 HydrophobicContact CG2-CE2 3.72Å; I611-F615 VanDerWaalsContact O-CD2 3.26Å; I611-F615 WeakPolarHBondContact O-CD2 3.33Å; I611-F615 PolarHBondContact O-N 3.13Å; I611-F615 VanDerWaalsContact O-N 3.13Å; F612-F615 PolarHBondContact O-N 3.23Å; R613-F615 VanDerWaalsContact C-N 3.33Å; R613-F615 PolarHBondContact O-N 2.67Å; F615-Q617 VanDerWaalsContact C-N 3.33Å; F615-Q617 PolarHBondContact O-N 2.97Å; F615-R618 VanDerWaalsContact CD1-CZ 3.48Å; F615-R618 PolarHBondContact O-N 2.77Å; F615-N619 WeakPolarHBondContact O-CB 3.36Å; F615-N619 PolarHBondContact O-N 3.36Å; F615-N619 PolarHBondContact O-ND2 3.45Å; F615-N619 PolarHBondContact O-OD1 2.83Å; F615-F628 HydrophobicContact CB-CE1 3.63Å; F615-F628 HydrophobicContact CB-CZ 3.71Å; F615-F628 HydrophobicContact CG-CE1 4.41Å |
| 616 | E | 76.9 | Confident | 76.4 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 169.9 | -76.5 | -171.2 | 134.3 | 0 | 0 | 111.3 | F612 R613 R618 N619 L620 P626 L650 M651 | F612-E616 HydrophobicContact CD1-CG 4Å; F612-E616 HydrophobicContact CE1-CG 3.81Å; F612-E616 PolarHBondContact O-N 2.99Å; R613-E616 WeakPolarHBondContact CD-OE2 3.31Å; R613-E616 IonicContact CZ-OE2 3.91Å; R613-E616 IonicContact NE-OE2 3.08Å; R613-E616 IonicContact NH1-OE2 3.27Å; R613-E616 PolarHBondContact NH1-OE2 2.99Å; R613-E616 PolarHBondContact O-N 3.28Å; E616-R618 VanDerWaalsContact C-N 3.34Å; E616-R618 PolarHBondContact O-N 3.11Å; E616-N619 PolarHBondContact O-N 3.06Å; E616-L620 WeakPolarHBondContact O-CB 3.29Å; E616-L620 PolarHBondContact O-N 3.14Å; E616-P626 HydrophobicContact CB-CB 4.41Å; E616-L650 WeakPolarHBondContact OE1-CD2 3.41Å; E616-M651 HydrophobicContact CB-CB 4.32Å; E616-M651 HydrophobicContact CB-SD 4.29Å; E616-M651 PolarHBondContact OE1-N 2.85Å; E616-M651 WeakPolarHBondContact OE2-CB 3.24Å |
| 617 | Q | 79 | Confident | 76 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.9 | -35.8 | 177.6 | -73 | 178.3 | 3.4 | 0 | 0 | 112.6 | R613 F614 F615 R621 M651 | R613-Q617 WeakPolarHBondContact O-CB 3.13Å; R613-Q617 WeakPolarHBondContact O-CG 3.16Å; R613-Q617 PolarHBondContact O-N 3.15Å; F614-Q617 PolarHBondContact O-N 2.8Å; F615-Q617 VanDerWaalsContact C-N 3.33Å; F615-Q617 PolarHBondContact O-N 2.97Å; Q617-R621 WeakPolarHBondContact O-CB 3.19Å; Q617-R621 PolarHBondContact O-N 3.34Å; Q617-M651 HydrophobicContact CG-CE 4.08Å; Q617-M651 HydrophobicContact CG-SD 3.99Å |
| 618 | R | 78 | Confident | 75.7 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 173.2 | -176.2 | -170.2 | 71.1 | 166.8 | 3.4 | 111.3 | N587 I590 F614 F615 E616 L620 R621 L622 E632 | N587-R618 WeakPolarHBondContact O-CD 3.35Å; I590-R618 PolarHBondContact O-NH1 3.24Å; I590-R618 PolarHBondContact O-NH2 2.78Å; F614-R618 PolarHBondContact O-N 2.82Å; F615-R618 VanDerWaalsContact CD1-CZ 3.48Å; F615-R618 PolarHBondContact O-N 2.77Å; E616-R618 VanDerWaalsContact C-N 3.34Å; E616-R618 PolarHBondContact O-N 3.11Å; R618-L620 VanDerWaalsContact C-N 3.29Å; R618-L620 PolarHBondContact O-N 3.25Å; R618-R621 PolarHBondContact O-N 2.99Å; R618-R621 VanDerWaalsContact O-N 3.13Å; R618-L622 HydrophobicContact CG-CD1 3.79Å; R618-L622 HydrophobicContact CG-CG 4.37Å; R618-L622 WeakPolarHBondContact O-CB 3.28Å; R618-L622 PolarHBondContact O-N 3.45Å; R618-E632 IonicContact NH2-OE2 3.29Å |
| 619 | N | 77.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 179.5 | -66 | -13 | 0 | 0 | 0 | 110.4 | F615 E616 R621 L622 R623 S625 F628 | F615-N619 WeakPolarHBondContact O-CB 3.36Å; F615-N619 PolarHBondContact O-N 3.36Å; F615-N619 PolarHBondContact O-ND2 3.45Å; F615-N619 PolarHBondContact O-OD1 2.83Å; E616-N619 PolarHBondContact O-N 3.06Å; N619-R621 PolarHBondContact O-N 2.9Å; N619-L622 PolarHBondContact O-N 2.85Å; N619-R623 WeakPolarHBondContact O-CB 3.38Å; N619-R623 PolarHBondContact O-N 3.07Å; N619-S625 CarbonylContact C-O 2.98Å; N619-S625 WeakPolarHBondContact CB-O 3.18Å; N619-S625 VanDerWaalsContact O-O 3.09Å; N619-F628 WeakPolarHBondContact ND2-CD1 3.33Å |
| 620 | L | 77.4 | Confident | 74.3 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.1 | -172.7 | 69.3 | 0 | 0 | 0 | 112 | E616 R618 G624 S625 M651 | E616-L620 WeakPolarHBondContact O-CB 3.29Å; E616-L620 PolarHBondContact O-N 3.14Å; R618-L620 VanDerWaalsContact C-N 3.29Å; R618-L620 PolarHBondContact O-N 3.25Å; L620-G624 WeakPolarHBondContact O-CA 3.33Å; L620-G624 PolarHBondContact O-N 2.92Å; L620-S625 PolarHBondContact N-O 3.3Å; L620-M651 HydrophobicContact CD2-CE 4.12Å; L620-M651 HydrophobicContact CD2-SD 4.38Å |
| 621 | R | 76.3 | Confident | 73.3 | Confident | 176 Ų | 176 | 49.2 Ų | 49.2 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 178 | -172.2 | -174.3 | -57.3 | 165.4 | 4.6 | 112.9 | Q617 R618 N619 | Q617-R621 WeakPolarHBondContact O-CB 3.19Å; Q617-R621 PolarHBondContact O-N 3.34Å; R618-R621 PolarHBondContact O-N 2.99Å; R618-R621 VanDerWaalsContact O-N 3.13Å; N619-R621 PolarHBondContact O-N 2.9Å |
| 622 | L | 70.9 | Confident | 72.5 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -81.8 | -32.8 | -174.7 | -72.3 | 175.5 | 0 | 0 | 0 | 113.5 | D588 R618 N619 | D588-L622 HydrophobicContact CB-CD1 3.86Å; D588-L622 HydrophobicContact CB-CD2 3.94Å; D588-L622 HydrophobicContact CB-CG 4.47Å; R618-L622 HydrophobicContact CG-CD1 3.79Å; R618-L622 HydrophobicContact CG-CG 4.37Å; R618-L622 WeakPolarHBondContact O-CB 3.28Å; R618-L622 PolarHBondContact O-N 3.45Å; N619-L622 PolarHBondContact O-N 2.85Å |
| 623 | R | 69.6 | Low | 72.1 | Confident | 100 Ų | 100 | 57 Ų | 57 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -131.4 | -0.2 | -167.2 | -52.8 | -179.4 | -147.2 | -162.3 | 6.6 | 113.9 | N619 S625 N629 E632 | N619-R623 WeakPolarHBondContact O-CB 3.38Å; N619-R623 PolarHBondContact O-N 3.07Å; R623-S625 PolarHBondContact O-N 2.74Å; R623-S625 VanDerWaalsContact O-N 3.09Å; R623-N629 PolarHBondContact NH1-ND2 3.45Å; R623-N629 PolarHBondContact NH1-OD1 3.09Å; R623-E632 IonicContact CZ-OE1 2.64Å; R623-E632 IonicContact NH1-OE1 3.44Å; R623-E632 IonicContact NH2-OE1 3.69Å; R623-E632 PolarHBondContact NH2-OE1 2.92Å |
| 624 | G | 66.6 | Low | 71.8 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 55% | 0.546 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 67.7 | 4.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L620 | L620-G624 WeakPolarHBondContact O-CA 3.33Å; L620-G624 PolarHBondContact O-N 2.92Å |
| 625 | S | 71.4 | Confident | 71.4 | Confident | 29 Ų | 29 | 58 Ų | 58 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | trans | -131.2 | 136.7 | 179 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | N619 L620 R623 S627 | N619-S625 CarbonylContact C-O 2.98Å; N619-S625 WeakPolarHBondContact CB-O 3.18Å; N619-S625 VanDerWaalsContact O-O 3.09Å; L620-S625 PolarHBondContact N-O 3.3Å; R623-S625 PolarHBondContact O-N 2.74Å; R623-S625 VanDerWaalsContact O-N 3.09Å; S625-S627 VanDerWaalsContact C-N 3.25Å; S625-S627 PolarHBondContact O-N 2.77Å | ||
| 626 | P | 67.3 | Low | 71.1 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.071 | 35% | 0.349 | C | S | . | . | trans | -77.8 | -9.1 | -179.6 | 29.7 | -30.8 | 0 | 0 | 0 | 113.3 | E616 M651 Q653 | E616-P626 HydrophobicContact CB-CB 4.41Å; P626-M651 HydrophobicContact CB-CB 4.04Å; P626-M651 HydrophobicContact CG-CB 4.49Å; P626-M651 WeakPolarHBondContact CG-O 3.45Å; P626-Q653 HydrophobicContact CG-CG 4.17Å | ||
| 627 | S | 70.6 | Confident | 70.9 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -69 | 138.6 | -177.6 | 44.8 | 0 | 0 | 0 | 0 | 113 | S625 | S625-S627 VanDerWaalsContact C-N 3.25Å; S625-S627 PolarHBondContact O-N 2.77Å |
| 628 | F | 72.7 | Confident | 70.6 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -73 | 143.4 | 170.2 | -65.9 | -87.4 | 0 | 0 | 0 | 110.6 | A592 L596 F612 F615 N619 C634 V638 | A592-F628 HydrophobicContact CB-CD1 4.07Å; A592-F628 HydrophobicContact CB-CE1 3.67Å; L596-F628 HydrophobicContact CD1-CE1 4.35Å; L596-F628 HydrophobicContact CD1-CZ 4.26Å; F612-F628 HydrophobicContact CD2-CE2 4.37Å; F612-F628 HydrophobicContact CD2-CZ 4.5Å; F612-F628 HydrophobicContact CE1-CE2 4.34Å; F612-F628 AromaticContact CE2-CE2 3.76Å; F612-F628 HydrophobicContact CE2-CE2 3.76Å; F612-F628 HydrophobicContact CE2-CZ 4.31Å; F612-F628 AromaticContact CZ-CE2 3.75Å; F612-F628 HydrophobicContact CZ-CE2 3.75Å; F615-F628 HydrophobicContact CB-CE1 3.63Å; F615-F628 HydrophobicContact CB-CZ 3.71Å; F615-F628 HydrophobicContact CG-CE1 4.41Å; N619-F628 WeakPolarHBondContact ND2-CD1 3.33Å; F628-C634 HydrophobicContact CB-CB 4.12Å; F628-C634 HydrophobicContact CD1-CB 4.11Å; F628-C634 HydrophobicContact CG-CB 4.04Å; F628-V638 HydrophobicContact CD2-CG2 3.85Å; F628-V638 HydrophobicContact CE2-CG2 4.32Å |
| 629 | N | 67.9 | Low | 70.5 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 143.9 | 175.8 | -101.3 | 25.5 | 0 | 0 | 0 | 111 | R623 G631 E632 | R623-N629 PolarHBondContact NH1-ND2 3.45Å; R623-N629 PolarHBondContact NH1-OD1 3.09Å; N629-G631 PolarHBondContact O-N 3.41Å; N629-G631 VanDerWaalsContact O-N 3.16Å; N629-E632 HydrophobicContact CB-CG 4.31Å; N629-E632 PolarHBondContact O-N 2.93Å |
| 630 | P | 60.5 | Low | 70.3 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -55.3 | -34 | 174.2 | -24.8 | 33.2 | 0 | 0 | 0 | 113 | E632 H633 | P630-E632 VanDerWaalsContact C-N 3.25Å; P630-E632 PolarHBondContact O-N 2.93Å; P630-H633 PolarHBondContact O-N 3.31Å |
| 631 | G | 59.5 | Low | 70.2 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67 | -16.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N629 H633 | N629-G631 PolarHBondContact O-N 3.41Å; N629-G631 VanDerWaalsContact O-N 3.16Å; G631-H633 VanDerWaalsContact C-N 3.34Å; G631-H633 PolarHBondContact O-ND1 3.08Å |
| 632 | E | 62.1 | Low | 70.2 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -87.4 | -3.5 | 177.6 | -67.3 | 176.1 | -157.2 | 0 | 0 | 112.6 | R618 R623 N629 P630 C634 | R618-E632 IonicContact NH2-OE2 3.29Å; R623-E632 IonicContact CZ-OE1 2.64Å; R623-E632 IonicContact NH1-OE1 3.44Å; R623-E632 IonicContact NH2-OE1 3.69Å; R623-E632 PolarHBondContact NH2-OE1 2.92Å; N629-E632 HydrophobicContact CB-CG 4.31Å; N629-E632 PolarHBondContact O-N 2.93Å; P630-E632 VanDerWaalsContact C-N 3.25Å; P630-E632 PolarHBondContact O-N 2.93Å; E632-C634 VanDerWaalsContact C-N 3.26Å; E632-C634 PolarHBondContact O-N 2.73Å; E632-C634 PolarHBondContact O-SG 2.92Å |
| 633 | H | 69.5 | Low | 70.3 | Confident | 121 Ų | 121 | 66.1 Ų | 66.1 | 56% | 0.56 | 36% | 0.36 | S | S | * | . | trans | 51.3 | 38 | 175.6 | -58.8 | 80.9 | 0 | 0 | 0 | 114.2 | P630 G631 | P630-H633 PolarHBondContact O-N 3.31Å; G631-H633 VanDerWaalsContact C-N 3.34Å; G631-H633 PolarHBondContact O-ND1 3.08Å | ||
| 634 | C | 73.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | trans | -94.8 | 10 | -178.5 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | F628 E632 E636 H637 V638 | F628-C634 HydrophobicContact CB-CB 4.12Å; F628-C634 HydrophobicContact CD1-CB 4.11Å; F628-C634 HydrophobicContact CG-CB 4.04Å; E632-C634 VanDerWaalsContact C-N 3.26Å; E632-C634 PolarHBondContact O-N 2.73Å; E632-C634 PolarHBondContact O-SG 2.92Å; C634-E636 PolarHBondContact O-N 2.9Å; C634-H637 PolarHBondContact O-N 3.41Å; C634-H637 VanDerWaalsContact O-N 3.17Å; C634-V638 WeakPolarHBondContact O-CG2 3.02Å; C634-V638 PolarHBondContact O-N 3.31Å; C634-V638 VanDerWaalsContact O-N 3.13Å | ||
| 635 | E | 71.7 | Confident | 70.8 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | -172.6 | -62.9 | 178.4 | -178.1 | 0 | 0 | 112.6 | H637 V638 V639 | E635-H637 VanDerWaalsContact C-N 3.32Å; E635-H637 PolarHBondContact O-N 3.44Å; E635-V638 PolarHBondContact O-N 2.97Å; E635-V639 WeakPolarHBondContact O-CG2 3.42Å; E635-V639 PolarHBondContact O-N 3.06Å |
| 636 | E | 73.9 | Confident | 70.7 | Confident | 156 Ų | 156 | 63.9 Ų | 63.9 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 177.1 | -64.1 | -176.5 | 168.5 | 0 | 0 | 112 | C634 V639 Y640 | C634-E636 PolarHBondContact O-N 2.9Å; E636-V639 PolarHBondContact O-N 2.68Å; E636-Y640 PolarHBondContact O-N 3.18Å |
| 637 | H | 73.4 | Confident | 70.6 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | 176.9 | -58.7 | -52.7 | 0 | 0 | 0 | 112.7 | L596 D597 F608 C634 E635 F641 | L596-H637 HydrophobicContact CB-CB 4.28Å; L596-H637 HydrophobicContact CD1-CB 3.99Å; D597-H637 IonicContact OD1-CE1 3.08Å; D597-H637 PolarHBondContact OD1-CE1 3.31Å; D597-H637 IonicContact OD1-NE2 2.7Å; D597-H637 PolarHBondContact OD1-NE2 2.96Å; D597-H637 VanDerWaalsContact OD1-NE2 3.14Å; D597-H637 IonicContact OD2-NE2 2.78Å; F608-H637 HydrophobicContact CZ-CB 4.26Å; C634-H637 PolarHBondContact O-N 3.41Å; C634-H637 VanDerWaalsContact O-N 3.17Å; E635-H637 VanDerWaalsContact C-N 3.32Å; E635-H637 PolarHBondContact O-N 3.44Å; H637-F641 WeakPolarHBondContact O-CB 3.38Å; H637-F641 PolarHBondContact O-N 3.01Å |
| 638 | V | 72.6 | Confident | 70.2 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | F612 F628 C634 E635 F641 K642 | F612-V638 HydrophobicContact CE2-CG2 4.02Å; F612-V638 HydrophobicContact CZ-CG2 4.04Å; F628-V638 HydrophobicContact CD2-CG2 3.85Å; F628-V638 HydrophobicContact CE2-CG2 4.32Å; C634-V638 WeakPolarHBondContact O-CG2 3.02Å; C634-V638 PolarHBondContact O-N 3.31Å; C634-V638 VanDerWaalsContact O-N 3.13Å; E635-V638 PolarHBondContact O-N 2.97Å; V638-F641 PolarHBondContact O-N 3.05Å; V638-K642 WeakPolarHBondContact O-CG 3.24Å; V638-K642 PolarHBondContact O-N 3.16Å |
| 639 | V | 74.6 | Confident | 69.7 | Low | 79 Ų | 79 | 75.1 Ų | 75.1 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | E635 E636 F641 K642 Q643 | E635-V639 WeakPolarHBondContact O-CG2 3.42Å; E635-V639 PolarHBondContact O-N 3.06Å; E636-V639 PolarHBondContact O-N 2.68Å; V639-F641 PolarHBondContact O-N 2.98Å; V639-K642 PolarHBondContact O-N 2.87Å; V639-Q643 WeakPolarHBondContact O-CG 3.38Å; V639-Q643 PolarHBondContact O-N 2.89Å |
| 640 | Y | 74.9 | Confident | 69.7 | Low | 75 Ų | 75 | 73.4 Ų | 73.4 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.9 | -178.5 | -99.9 | 0 | 0 | 0 | 112.3 | L600 F608 E636 K642 Q643 V644 | L600-Y640 HydrophobicContact CD1-CD1 3.54Å; L600-Y640 HydrophobicContact CD1-CD2 4.19Å; L600-Y640 HydrophobicContact CD1-CE1 3.2Å; L600-Y640 HydrophobicContact CD1-CE2 3.91Å; L600-Y640 HydrophobicContact CD1-CG 4.01Å; F608-Y640 HydrophobicContact CD1-CD1 4.24Å; F608-Y640 HydrophobicContact CD1-CE1 4.23Å; F608-Y640 AromaticContact CE1-CD1 3.69Å; F608-Y640 HydrophobicContact CE1-CD1 3.69Å; F608-Y640 HydrophobicContact CE1-CE1 4.14Å; F608-Y640 HydrophobicContact CE2-CD1 4.28Å; F608-Y640 HydrophobicContact CG-CE1 4.49Å; F608-Y640 AromaticContact CZ-CD1 3.72Å; F608-Y640 HydrophobicContact CZ-CD1 3.72Å; F608-Y640 HydrophobicContact CZ-CE1 4.34Å; E636-Y640 PolarHBondContact O-N 3.18Å; Y640-K642 VanDerWaalsContact C-N 3.33Å; Y640-K642 PolarHBondContact O-N 2.89Å; Y640-Q643 PolarHBondContact O-N 3.26Å; Y640-V644 HydrophobicContact CD1-CG2 4.32Å; Y640-V644 HydrophobicContact CD2-CG2 4.2Å; Y640-V644 HydrophobicContact CE1-CG2 3.93Å; Y640-V644 HydrophobicContact CE2-CG2 3.79Å; Y640-V644 HydrophobicContact CG-CG2 4.46Å; Y640-V644 WeakPolarHBondContact O-CG2 3.25Å; Y640-V644 PolarHBondContact O-N 2.89Å |
| 641 | F | 75.8 | Confident | 69.8 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 175.6 | -173.3 | -89.6 | 0 | 0 | 0 | 112.1 | F608 Y609 F612 H637 V638 V639 Q643 V644 F645 A649 L650 | F608-F641 HydrophobicContact CD1-CD2 4.26Å; F608-F641 HydrophobicContact CE1-CB 4.04Å; F608-F641 AromaticContact CE1-CD2 3.92Å; F608-F641 HydrophobicContact CE1-CD2 3.92Å; F608-F641 HydrophobicContact CE1-CG 4.49Å; Y609-F641 AromaticContact CD2-CE2 3.5Å; Y609-F641 HydrophobicContact CD2-CE2 3.5Å; Y609-F641 AromaticContact CD2-CZ 3.64Å; Y609-F641 HydrophobicContact CD2-CZ 3.64Å; Y609-F641 HydrophobicContact CE2-CE2 4.07Å; Y609-F641 AromaticContact CE2-CZ 3.71Å; Y609-F641 HydrophobicContact CE2-CZ 3.71Å; Y609-F641 HydrophobicContact CG-CE2 4.36Å; F612-F641 HydrophobicContact CB-CD2 3.88Å; F612-F641 HydrophobicContact CB-CE2 3.9Å; F612-F641 HydrophobicContact CD1-CD1 4.16Å; F612-F641 AromaticContact CD1-CD2 3.5Å; F612-F641 HydrophobicContact CD1-CD2 3.5Å; F612-F641 HydrophobicContact CD1-CE1 4.13Å; F612-F641 AromaticContact CD1-CE2 3.44Å; F612-F641 HydrophobicContact CD1-CE2 3.44Å; F612-F641 VanDerWaalsContact CD1-CE2 3.44Å; F612-F641 AromaticContact CD1-CG 3.87Å; F612-F641 HydrophobicContact CD1-CG 3.87Å; F612-F641 AromaticContact CD1-CZ 3.77Å; F612-F641 HydrophobicContact CD1-CZ 3.77Å; F612-F641 HydrophobicContact CD2-CB 4.21Å; F612-F641 AromaticContact CD2-CD2 3.93Å; F612-F641 HydrophobicContact CD2-CD2 3.93Å; F612-F641 HydrophobicContact CD2-CG 4.19Å; F612-F641 HydrophobicContact CE1-CB 4.41Å; F612-F641 AromaticContact CE1-CD1 3.82Å; F612-F641 HydrophobicContact CE1-CD1 3.82Å; F612-F641 AromaticContact CE1-CD2 3.95Å; F612-F641 HydrophobicContact CE1-CD2 3.95Å; F612-F641 AromaticContact CE1-CE1 3.99Å; F612-F641 HydrophobicContact CE1-CE1 3.99Å; F612-F641 HydrophobicContact CE1-CE2 4.1Å; F612-F641 AromaticContact CE1-CG 3.8Å; F612-F641 HydrophobicContact CE1-CG 3.8Å; F612-F641 HydrophobicContact CE1-CZ 4.12Å; F612-F641 HydrophobicContact CE2-CB 3.93Å; F612-F641 HydrophobicContact CE2-CD2 4.33Å; F612-F641 HydrophobicContact CE2-CG 4.12Å; F612-F641 AromaticContact CG-CD2 3.48Å; F612-F641 HydrophobicContact CG-CD2 3.48Å; F612-F641 VanDerWaalsContact CG-CD2 3.48Å; F612-F641 AromaticContact CG-CE2 3.75Å; F612-F641 HydrophobicContact CG-CE2 3.75Å; F612-F641 HydrophobicContact CG-CG 4.06Å; F612-F641 HydrophobicContact CZ-CB 4.03Å; F612-F641 HydrophobicContact CZ-CD1 4.15Å; F612-F641 HydrophobicContact CZ-CD2 4.33Å; F612-F641 AromaticContact CZ-CG 3.92Å; F612-F641 HydrophobicContact CZ-CG 3.92Å; H637-F641 WeakPolarHBondContact O-CB 3.38Å; H637-F641 PolarHBondContact O-N 3.01Å; V638-F641 PolarHBondContact O-N 3.05Å; V639-F641 PolarHBondContact O-N 2.98Å; F641-Q643 PolarHBondContact O-N 3.16Å; F641-V644 PolarHBondContact O-N 3.18Å; F641-F645 AromaticContact CD2-CD2 3.77Å; F641-F645 HydrophobicContact CD2-CD2 3.77Å; F641-F645 HydrophobicContact CD2-CE2 4.29Å; F641-F645 HydrophobicContact CE1-CB 4.45Å; F641-F645 AromaticContact CE2-CD2 3.91Å; F641-F645 HydrophobicContact CE2-CD2 3.91Å; F641-F645 HydrophobicContact CE2-CE2 4.49Å; F641-F645 HydrophobicContact CE2-CG 4.46Å; F641-F645 HydrophobicContact CG-CD2 4.23Å; F641-F645 HydrophobicContact CZ-CB 4.43Å; F641-F645 HydrophobicContact CZ-CD2 4.47Å; F641-F645 PolarHBondContact O-N 3.42Å; F641-A649 HydrophobicContact CE1-CB 3.92Å; F641-A649 HydrophobicContact CZ-CB 4.17Å; F641-L650 HydrophobicContact CD1-CD2 4.21Å; F641-L650 HydrophobicContact CD1-CG 4.27Å; F641-L650 HydrophobicContact CE1-CD2 4.34Å; F641-L650 HydrophobicContact CE1-CG 4.22Å |
| 642 | K | 74.6 | Confident | 69.9 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 176.1 | -74.2 | -179.3 | 172.1 | -155.2 | 0 | 112.7 | V638 V639 Y640 G646 E647 L650 | V638-K642 WeakPolarHBondContact O-CG 3.24Å; V638-K642 PolarHBondContact O-N 3.16Å; V639-K642 PolarHBondContact O-N 2.87Å; Y640-K642 VanDerWaalsContact C-N 3.33Å; Y640-K642 PolarHBondContact O-N 2.89Å; K642-G646 VanDerWaalsContact O-CA 3.23Å; K642-G646 WeakPolarHBondContact O-CA 3.47Å; K642-G646 PolarHBondContact O-N 3.01Å; K642-G646 VanDerWaalsContact O-N 3.07Å; K642-E647 HydrophobicContact CB-CG 4.43Å; K642-E647 HydrophobicContact CD-CG 4.08Å; K642-E647 WeakPolarHBondContact CE-OE1 3.45Å; K642-E647 HydrophobicContact CG-CG 4.12Å; K642-E647 IonicContact NZ-OE1 3.98Å; K642-E647 PolarHBondContact NZ-OE1 3.25Å; K642-L650 HydrophobicContact CD-CD1 4.29Å; K642-L650 HydrophobicContact CG-CD1 3.83Å |
| 643 | Q | 74.4 | Confident | 69.5 | Low | 146 Ų | 146 | 81.4 Ų | 81.4 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.9 | -39.6 | 178.3 | -74.9 | 177.2 | -4.8 | 0 | 0 | 112.4 | V639 Y640 F641 | V639-Q643 WeakPolarHBondContact O-CG 3.38Å; V639-Q643 PolarHBondContact O-N 2.89Å; Y640-Q643 PolarHBondContact O-N 3.26Å; F641-Q643 PolarHBondContact O-N 3.16Å |
| 644 | V | 73.1 | Confident | 68.6 | Low | 49 Ų | 49 | 79.2 Ų | 79.2 | 30% | 0.297 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -87.5 | -37.8 | -173.8 | 180 | 0 | 0 | 0 | 0 | 112.9 | Q605 Y640 F641 | Q605-V644 HydrophobicContact CG-CG1 4.27Å; Y640-V644 HydrophobicContact CD1-CG2 4.32Å; Y640-V644 HydrophobicContact CD2-CG2 4.2Å; Y640-V644 HydrophobicContact CE1-CG2 3.93Å; Y640-V644 HydrophobicContact CE2-CG2 3.79Å; Y640-V644 HydrophobicContact CG-CG2 4.46Å; Y640-V644 WeakPolarHBondContact O-CG2 3.25Å; Y640-V644 PolarHBondContact O-N 2.89Å; F641-V644 PolarHBondContact O-N 3.18Å |
| 645 | F | 72.4 | Confident | 67 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 25% | 0.25 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -115.3 | -5.5 | -173.1 | -56.8 | -77.4 | 0 | 0 | 0 | 114.5 | Q605 F608 Y609 F641 A649 | Q605-F645 HydrophobicContact CB-CE1 4.36Å; Q605-F645 HydrophobicContact CB-CZ 3.88Å; Q605-F645 WeakPolarHBondContact O-CZ 3.23Å; F608-F645 HydrophobicContact CD1-CE2 4.13Å; Y609-F645 HydrophobicContact CD2-CD1 4.15Å; Y609-F645 HydrophobicContact CD2-CD2 4.42Å; Y609-F645 HydrophobicContact CD2-CE1 4.44Å; Y609-F645 HydrophobicContact CD2-CG 4.15Å; F641-F645 AromaticContact CD2-CD2 3.77Å; F641-F645 HydrophobicContact CD2-CD2 3.77Å; F641-F645 HydrophobicContact CD2-CE2 4.29Å; F641-F645 HydrophobicContact CE1-CB 4.45Å; F641-F645 AromaticContact CE2-CD2 3.91Å; F641-F645 HydrophobicContact CE2-CD2 3.91Å; F641-F645 HydrophobicContact CE2-CE2 4.49Å; F641-F645 HydrophobicContact CE2-CG 4.46Å; F641-F645 HydrophobicContact CG-CD2 4.23Å; F641-F645 HydrophobicContact CZ-CB 4.43Å; F641-F645 HydrophobicContact CZ-CD2 4.47Å; F641-F645 PolarHBondContact O-N 3.42Å; F645-A649 HydrophobicContact CB-CB 3.99Å |
| 646 | G | 70.5 | Confident | 65.4 | Low | 30 Ų | 30 | 89.3 Ų | 89.3 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | trans | 80.2 | 152.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K642 Q648 A649 | K642-G646 VanDerWaalsContact O-CA 3.23Å; K642-G646 WeakPolarHBondContact O-CA 3.47Å; K642-G646 PolarHBondContact O-N 3.01Å; K642-G646 VanDerWaalsContact O-N 3.07Å; G646-Q648 PolarHBondContact O-N 3.46Å; G646-Q648 VanDerWaalsContact O-N 3.13Å; G646-A649 WeakPolarHBondContact O-CB 3.39Å; G646-A649 PolarHBondContact O-N 3.22Å; G646-A649 VanDerWaalsContact O-N 3.1Å | ||
| 647 | E | 64.9 | Low | 65 | Low | 129 Ų | 129 | 86 Ų | 86 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -62.6 | -22.9 | -177.6 | -65 | -160.3 | 130.7 | 0 | 0 | 113.8 | K642 A649 L650 | K642-E647 HydrophobicContact CB-CG 4.43Å; K642-E647 HydrophobicContact CD-CG 4.08Å; K642-E647 WeakPolarHBondContact CE-OE1 3.45Å; K642-E647 HydrophobicContact CG-CG 4.12Å; K642-E647 IonicContact NZ-OE1 3.98Å; K642-E647 PolarHBondContact NZ-OE1 3.25Å; E647-A649 PolarHBondContact O-N 2.79Å; E647-L650 PolarHBondContact O-N 3.19Å |
| 648 | Q | 61.5 | Low | 64.5 | Low | 192 Ų | 192 | 90.2 Ų | 90.2 | 90% | 0.897 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -68.6 | -19.2 | 178.1 | -62.7 | -176.9 | -2.4 | 0 | 0 | 113.1 | G646 | G646-Q648 PolarHBondContact O-N 3.46Å; G646-Q648 VanDerWaalsContact O-N 3.13Å |
| 649 | A | 61.8 | Low | 64.1 | Low | 17 Ų | 17 | 93.3 Ų | 93.3 | 14% | 0.14 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -82.5 | -8.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y609 R613 F641 F645 G646 E647 | Y609-A649 HydrophobicContact CE2-CB 4.43Å; R613-A649 PolarHBondContact NH1-O 3.28Å; R613-A649 PolarHBondContact NH2-O 3.15Å; F641-A649 HydrophobicContact CE1-CB 3.92Å; F641-A649 HydrophobicContact CZ-CB 4.17Å; F645-A649 HydrophobicContact CB-CB 3.99Å; G646-A649 WeakPolarHBondContact O-CB 3.39Å; G646-A649 PolarHBondContact O-N 3.22Å; G646-A649 VanDerWaalsContact O-N 3.1Å; E647-A649 PolarHBondContact O-N 2.79Å |
| 650 | L | 68.6 | Low | 63.5 | Low | 41 Ų | 41 | 94.2 Ų | 94.2 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -71.2 | 143 | 176.4 | -77.1 | 153.6 | 0 | 0 | 0 | 111.6 | F612 E616 F641 K642 E647 K652 | F612-L650 HydrophobicContact CE1-CD2 3.86Å; F612-L650 HydrophobicContact CZ-CD2 4.06Å; E616-L650 WeakPolarHBondContact OE1-CD2 3.41Å; F641-L650 HydrophobicContact CD1-CD2 4.21Å; F641-L650 HydrophobicContact CD1-CG 4.27Å; F641-L650 HydrophobicContact CE1-CD2 4.34Å; F641-L650 HydrophobicContact CE1-CG 4.22Å; K642-L650 HydrophobicContact CD-CD1 4.29Å; K642-L650 HydrophobicContact CG-CD1 3.83Å; E647-L650 PolarHBondContact O-N 3.19Å; L650-K652 PolarHBondContact O-N 2.71Å |
| 651 | M | 63.1 | Low | 62.7 | Low | 62 Ų | 62 | 95.4 Ų | 95.4 | 31% | 0.305 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -69 | 123.4 | 176.7 | -145.7 | 168.7 | -175.8 | 0 | 0 | 109.3 | R613 E616 Q617 L620 P626 | R613-M651 VanDerWaalsContact NH1-N 3.2Å; E616-M651 HydrophobicContact CB-CB 4.32Å; E616-M651 HydrophobicContact CB-SD 4.29Å; E616-M651 PolarHBondContact OE1-N 2.85Å; E616-M651 WeakPolarHBondContact OE2-CB 3.24Å; Q617-M651 HydrophobicContact CG-CE 4.08Å; Q617-M651 HydrophobicContact CG-SD 3.99Å; L620-M651 HydrophobicContact CD2-CE 4.12Å; L620-M651 HydrophobicContact CD2-SD 4.38Å; P626-M651 HydrophobicContact CB-CB 4.04Å; P626-M651 HydrophobicContact CG-CB 4.49Å; P626-M651 WeakPolarHBondContact CG-O 3.45Å |
| 652 | K | 61.3 | Low | 61.9 | Low | 180 Ų | 180 | 101.7 Ų | 101.7 | 78% | 0.783 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 142.2 | 178.7 | -65.5 | -178.2 | -179.5 | 179.7 | 0 | 109.8 | L650 A654 | L650-K652 PolarHBondContact O-N 2.71Å; K652-A654 PolarHBondContact O-N 2.72Å |
| 653 | Q | 54.2 | Low | 61 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.4 | 169.2 | -79.4 | 175.8 | -9.1 | 0 | 0 | 108.9 | P626 T655 | P626-Q653 HydrophobicContact CG-CG 4.17Å; Q653-T655 VanDerWaalsContact C-N 3.32Å; Q653-T655 PolarHBondContact O-N 3.08Å |
| 654 | A | 49.4 | Very low | 59.9 | Low | 76 Ų | 76 | 100.1 Ų | 100.1 | 63% | 0.628 | 55% | 0.546 | S | S | * | . | trans | -67.2 | 98.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107 | K652 V656 | K652-A654 PolarHBondContact O-N 2.72Å; A654-V656 PolarHBondContact O-N 3.39Å; A654-V656 VanDerWaalsContact O-N 3.13Å | ||
| 655 | T | 40.4 | Very low | 58.8 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 83% | 0.828 | 57% | 0.567 | S | S | * | * | trans | -61.1 | 110.3 | 164.9 | 41.1 | 0 | 0 | 0 | 0 | 107.1 | Q653 | Q653-T655 VanDerWaalsContact C-N 3.32Å; Q653-T655 PolarHBondContact O-N 3.08Å | ||
| 656 | V | 38.1 | Very low | 57.6 | Low | 210 Ų | 210 | 108.6 Ų | 108.6 | 100% | 1.273 | 60% | 0.596 | S | S | * | * | trans | -63.2 | 0 | 168.5 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | A654 | A654-V656 PolarHBondContact O-N 3.39Å; A654-V656 VanDerWaalsContact O-N 3.13Å |
Retrieved 656 of 656 residues in 4795.2 ms
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