| 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 | 48.2 | Very low | 83.9 | Confident | 234 Ų | 234 | 93 Ų | 93 | 100% | 1.153 | 51% | 0.505 | S | S | * | . | 0 | 119.7 | 0 | -77.4 | 67.1 | 178.3 | 0 | 0 | 108.8 | S3 | M1-S3 PolarHBondContact O-N 3.44Š| |||
| 2 | D | 61.1 | Low | 84.7 | Confident | 98 Ų | 98 | 87.4 Ų | 87.4 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | trans | -67 | 129.4 | -171.4 | -65.6 | -50.5 | 0 | 0 | 0 | 113.4 | R4 | D2-R4 HydrophobicContact CB-CG 3.82Å; D2-R4 PolarHBondContact O-N 3.07Å; D2-R4 IonicContact OD2-CZ 2.8Å; D2-R4 IonicContact OD2-NE 3.4Å; D2-R4 PolarHBondContact OD2-NE 3.41Å; D2-R4 IonicContact OD2-NH2 3.91Å; D2-R4 PolarHBondContact OD2-NH2 3.18Å | ||
| 3 | S | 83.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 51% | 0.51 | 47% | 0.47 | S | S | . | . | trans | -66.6 | 89.6 | 170.8 | -45.5 | 0 | 0 | 0 | 0 | 110.6 | M1 F12 | M1-S3 PolarHBondContact O-N 3.44Å; S3-F12 WeakPolarHBondContact O-CD2 3.23Å; S3-F12 PolarHBondContact O-N 2.97Å | ||
| 4 | R | 91.3 | Very high | 84.9 | Confident | 124 Ų | 124 | 92.1 Ų | 92.1 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 152.1 | 178.9 | -55.1 | -175.4 | -167.8 | -175.4 | 4.4 | 111 | D2 Y6 S10 K11 F12 | D2-R4 HydrophobicContact CB-CG 3.82Å; D2-R4 PolarHBondContact O-N 3.07Å; D2-R4 IonicContact OD2-CZ 2.8Å; D2-R4 IonicContact OD2-NE 3.4Å; D2-R4 PolarHBondContact OD2-NE 3.41Å; D2-R4 IonicContact OD2-NH2 3.91Å; D2-R4 PolarHBondContact OD2-NH2 3.18Å; R4-Y6 PolarHBondContact O-N 2.89Å; R4-S10 WeakPolarHBondContact CA-O 3.43Å; R4-K11 HydrophobicContact CG-CB 4.43Å; R4-F12 WeakPolarHBondContact O-CE2 3.38Å |
| 5 | C | 92.7 | Very high | 84.9 | Confident | 2 Ų | 2 | 99.3 Ų | 99.3 | 1% | 0.014 | 53% | 0.527 | C | S | . | . | trans | -63.5 | 126.3 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | G7 C8 A9 S10 F12 C29 C32 | C5-G7 PolarHBondContact O-N 3.4Å; C5-G7 PolarHBondContact SG-N 3.13Å; C5-G7 VanDerWaalsContact SG-N 3.4Å; C5-C8 PolarHBondContact SG-SG 3.37Å; C5-A9 WeakPolarHBondContact O-CA 3.23Å; C5-A9 PolarHBondContact O-N 3.42Å; C5-S10 PolarHBondContact N-O 3.06Å; C5-F12 HydrophobicContact CB-CE1 4.07Å; C5-F12 HydrophobicContact CB-CZ 4.03Å; C5-C29 HydrophobicContact CB-CB 4.28Å; C5-C29 PolarHBondContact SG-N 2.88Å; C5-C29 VanDerWaalsContact SG-SG 3.63Å; C5-C32 VanDerWaalsContact SG-SG 3.65Å | ||
| 6 | Y | 91.9 | Very high | 85 | Confident | 140 Ų | 140 | 99.8 Ų | 99.8 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.2 | 178.9 | -169.2 | -90 | 0 | 0 | 0 | 113.6 | R4 R26 S27 F28 | R4-Y6 PolarHBondContact O-N 2.89Å; Y6-R26 HydrophobicContact CD2-CG 4.35Å; Y6-R26 HydrophobicContact CG-CB 4.2Å; Y6-R26 HydrophobicContact CG-CG 4.39Å; Y6-R26 VanDerWaalsContact CZ-CZ 3.44Å; Y6-R26 PolarHBondContact OH-NH1 3.3Å; Y6-S27 WeakPolarHBondContact CB-O 3.27Å; Y6-S27 PolarHBondContact N-O 3.39Å; Y6-F28 HydrophobicContact CD1-CE1 4.04Å; Y6-F28 AromaticContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CG-CE1 4.36Å; Y6-F28 HydrophobicContact CG-CZ 4.25Å |
| 7 | G | 88.7 | Confident | 85.3 | Confident | 52 Ų | 52 | 102.9 Ų | 102.9 | 54% | 0.536 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -38.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C5 | C5-G7 PolarHBondContact O-N 3.4Å; C5-G7 PolarHBondContact SG-N 3.13Å; C5-G7 VanDerWaalsContact SG-N 3.4Å |
| 8 | C | 92 | Very high | 85.7 | Confident | 68 Ų | 68 | 102.3 Ų | 102.3 | 46% | 0.459 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 6.4 | -174.4 | 65.6 | 0 | 0 | 0 | 0 | 114 | C5 S10 C29 | C5-C8 PolarHBondContact SG-SG 3.37Å; C8-S10 PolarHBondContact O-N 2.88Å; C8-S10 PolarHBondContact SG-OG 2.84Å; C8-C29 VanDerWaalsContact SG-SG 3.64Å |
| 9 | A | 90.9 | Very high | 85.9 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | trans | 55.8 | 11 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C5 K11 | C5-A9 WeakPolarHBondContact O-CA 3.23Å; C5-A9 PolarHBondContact O-N 3.42Å; A9-K11 PolarHBondContact O-N 3.37Å | ||
| 10 | S | 90.4 | Very high | 86.2 | Confident | 25 Ų | 25 | 96.9 Ų | 96.9 | 18% | 0.175 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 132 | 179.2 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | R4 C5 C8 | R4-S10 WeakPolarHBondContact CA-O 3.43Å; C5-S10 PolarHBondContact N-O 3.06Å; C8-S10 PolarHBondContact O-N 2.88Å; C8-S10 PolarHBondContact SG-OG 2.84Å |
| 11 | K | 92.8 | Very high | 86.5 | Confident | 140 Ų | 140 | 92.4 Ų | 92.4 | 61% | 0.609 | 49% | 0.486 | S | S | * | . | B | Isolated β-bridge | trans | -62.1 | 136.5 | 173.3 | -167.9 | 170.6 | -179.5 | 169.6 | 0 | 110.9 | R4 A9 | R4-K11 HydrophobicContact CG-CB 4.43Å; A9-K11 PolarHBondContact O-N 3.37Å |
| 12 | F | 93.1 | Very high | 88.5 | Confident | 26 Ų | 26 | 87.1 Ų | 87.1 | 11% | 0.114 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 143.3 | 172.3 | -61 | -59.2 | 0 | 0 | 0 | 110.1 | S3 R4 C5 E18 C29 | S3-F12 WeakPolarHBondContact O-CD2 3.23Å; S3-F12 PolarHBondContact O-N 2.97Å; R4-F12 WeakPolarHBondContact O-CE2 3.38Å; C5-F12 HydrophobicContact CB-CE1 4.07Å; C5-F12 HydrophobicContact CB-CZ 4.03Å; F12-E18 HydrophobicContact CB-CB 4.48Å; F12-E18 HydrophobicContact CD1-CB 3.9Å; F12-E18 HydrophobicContact CD1-CG 4.47Å; F12-E18 HydrophobicContact CD2-CB 3.83Å; F12-E18 HydrophobicContact CD2-CG 3.84Å; F12-E18 HydrophobicContact CE1-CB 4.03Å; F12-E18 HydrophobicContact CE1-CG 4.21Å; F12-E18 HydrophobicContact CE2-CB 3.98Å; F12-E18 VanDerWaalsContact CE2-CD 3.48Å; F12-E18 HydrophobicContact CE2-CG 3.55Å; F12-E18 HydrophobicContact CG-CB 3.81Å; F12-E18 HydrophobicContact CG-CG 4.32Å; F12-E18 HydrophobicContact CZ-CB 4.08Å; F12-E18 HydrophobicContact CZ-CG 3.75Å; F12-C29 HydrophobicContact CE1-CB 4.25Å |
| 13 | S | 86.7 | Confident | 89.8 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -147.4 | 174.4 | -179.8 | 71 | 0 | 0 | 0 | 0 | 109.5 | F15 K16 | S13-F15 PolarHBondContact O-N 3.31Å; S13-F15 PolarHBondContact OG-N 3.07Å; S13-K16 PolarHBondContact N-O 2.88Å; S13-K16 VanDerWaalsContact N-O 3.17Å; S13-K16 CarbonylContact O-C 3.56Å; S13-K16 PolarHBondContact O-N 3.28Å; S13-K16 PolarHBondContact OG-N 3.3Å |
| 14 | L | 85 | Confident | 90.1 | Very high | 177 Ų | 177 | 83.1 Ų | 83.1 | 93% | 0.927 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.9 | 177 | -62.4 | 175.7 | 0 | 0 | 0 | 112.9 | ||
| 15 | F | 85.9 | Confident | 90 | Very high | 199 Ų | 199 | 80.5 Ų | 80.5 | 87% | 0.873 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -16.1 | 176.5 | -57.3 | -75.3 | 0 | 0 | 0 | 113.9 | S13 | S13-F15 PolarHBondContact O-N 3.31Å; S13-F15 PolarHBondContact OG-N 3.07Å |
| 16 | K | 85.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 86 Ų | 86 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 87.2 | 178.8 | -78.1 | -176.7 | -179.5 | 171.8 | 0 | 109.9 | S13 | S13-K16 PolarHBondContact N-O 2.88Å; S13-K16 VanDerWaalsContact N-O 3.17Å; S13-K16 CarbonylContact O-C 3.56Å; S13-K16 PolarHBondContact O-N 3.28Å; S13-K16 PolarHBondContact OG-N 3.3Å |
| 17 | K | 90 | Very high | 90 | Very high | 153 Ų | 153 | 80.8 Ų | 80.8 | 67% | 0.665 | 45% | 0.448 | S | S | * | . | trans | -61.4 | 139.7 | 176.9 | -174.9 | 172.5 | -179.5 | 175.1 | 0 | 111.8 | L19 | K17-L19 HydrophobicContact CD-CD2 4.26Å; K17-L19 HydrophobicContact CG-CD2 4.32Å | ||
| 18 | E | 92.1 | Very high | 90.2 | Very high | 93 Ų | 93 | 78.7 Ų | 78.7 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | trans | -79.5 | 128.7 | 171.4 | -178.3 | 166 | -172.9 | 0 | 0 | 111 | F12 S27 | F12-E18 HydrophobicContact CB-CB 4.48Å; F12-E18 HydrophobicContact CD1-CB 3.9Å; F12-E18 HydrophobicContact CD1-CG 4.47Å; F12-E18 HydrophobicContact CD2-CB 3.83Å; F12-E18 HydrophobicContact CD2-CG 3.84Å; F12-E18 HydrophobicContact CE1-CB 4.03Å; F12-E18 HydrophobicContact CE1-CG 4.21Å; F12-E18 HydrophobicContact CE2-CB 3.98Å; F12-E18 VanDerWaalsContact CE2-CD 3.48Å; F12-E18 HydrophobicContact CE2-CG 3.55Å; F12-E18 HydrophobicContact CG-CB 3.81Å; F12-E18 HydrophobicContact CG-CG 4.32Å; F12-E18 HydrophobicContact CZ-CB 4.08Å; F12-E18 HydrophobicContact CZ-CG 3.75Å; E18-S27 WeakPolarHBondContact OE1-CB 3.44Å; E18-S27 PolarHBondContact OE1-OG 2.92Å | ||
| 19 | L | 91.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 75.7 Ų | 75.7 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137 | 177 | -58.9 | 174.7 | 0 | 0 | 0 | 110.1 | K17 S27 F28 L33 | K17-L19 HydrophobicContact CD-CD2 4.26Å; K17-L19 HydrophobicContact CG-CD2 4.32Å; L19-S27 CarbonylContact O-C 3.56Å; L19-F28 PolarHBondContact N-O 3.19Å; L19-F28 PolarHBondContact O-N 2.73Å; L19-F28 VanDerWaalsContact O-O 3.1Å; L19-L33 HydrophobicContact CB-CD2 3.57Å; L19-L33 HydrophobicContact CD1-CD2 4.37Å |
| 20 | G | 91.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 76.2 Ų | 76.2 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L33 | G20-L33 WeakPolarHBondContact O-CD2 3.5Å |
| 21 | C | 92.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.02 | 42% | 0.422 | C | S | . | . | trans | -74.5 | 124.8 | 168.1 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | N23 G25 R26 F28 L33 V49 C50 | C21-N23 PolarHBondContact O-N 3.27Å; C21-N23 PolarHBondContact SG-N 3.17Å; C21-G25 VanDerWaalsContact O-CA 3.27Å; C21-G25 WeakPolarHBondContact O-CA 3.07Å; C21-G25 PolarHBondContact O-N 3.05Å; C21-R26 PolarHBondContact N-O 3.23Å; C21-F28 HydrophobicContact CB-CD2 3.95Å; C21-F28 HydrophobicContact CB-CE2 3.74Å; C21-L33 HydrophobicContact CB-CD1 3.82Å; C21-V49 VanDerWaalsContact SG-CA 3.56Å; C21-C50 HydrophobicContact CB-CB 4.29Å; C21-C50 PolarHBondContact SG-N 3.31Å | ||
| 22 | K | 89 | Confident | 90.1 | Very high | 122 Ų | 122 | 73.1 Ų | 73.1 | 53% | 0.53 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.1 | -179.1 | -61.9 | -60.4 | -174.9 | 177.1 | 0 | 115 | Q47 K48 | K22-Q47 HydrophobicContact CB-CB 3.81Å; K22-Q47 HydrophobicContact CB-CG 4.28Å; K22-Q47 HydrophobicContact CG-CB 3.99Å; K22-Q47 HydrophobicContact CG-CG 4.38Å; K22-K48 PolarHBondContact N-O 3.44Å |
| 23 | N | 88.6 | Confident | 90.1 | Very high | 40 Ų | 40 | 72.3 Ų | 72.3 | 21% | 0.214 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -47.6 | 177.1 | -169.2 | 57.8 | 0 | 0 | 0 | 113.1 | C21 V39 V49 C53 L57 | C21-N23 PolarHBondContact O-N 3.27Å; C21-N23 PolarHBondContact SG-N 3.17Å; N23-V39 HydrophobicContact CB-CG1 4.21Å; N23-V39 HydrophobicContact CB-CG2 4.19Å; N23-V49 HydrophobicContact CB-CG1 3.91Å; N23-C53 HydrophobicContact CB-CB 3.85Å; N23-C53 WeakPolarHBondContact ND2-CB 3.48Å; N23-C53 PolarHBondContact ND2-SG 2.95Å; N23-L57 HydrophobicContact CB-CD1 4.24Å |
| 24 | C | 89.8 | Confident | 90.2 | Very high | 48 Ų | 48 | 72.1 Ų | 72.1 | 32% | 0.324 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -3.6 | -177.3 | 68 | 0 | 0 | 0 | 0 | 115.2 | R26 | C24-R26 PolarHBondContact O-N 2.91Å; C24-R26 VanDerWaalsContact O-N 3.11Å |
| 25 | G | 89 | Confident | 90.4 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | trans | 72.1 | -1.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C21 | C21-G25 VanDerWaalsContact O-CA 3.27Å; C21-G25 WeakPolarHBondContact O-CA 3.07Å; C21-G25 PolarHBondContact O-N 3.05Å | ||
| 26 | R | 91.9 | Very high | 90.7 | Very high | 117 Ų | 117 | 58.9 Ų | 58.9 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | trans | -80.3 | 153.8 | -178 | -64.7 | 169.5 | -178.6 | 176.3 | -3.5 | 112.2 | Y6 C21 C24 F28 | Y6-R26 HydrophobicContact CD2-CG 4.35Å; Y6-R26 HydrophobicContact CG-CB 4.2Å; Y6-R26 HydrophobicContact CG-CG 4.39Å; Y6-R26 VanDerWaalsContact CZ-CZ 3.44Å; Y6-R26 PolarHBondContact OH-NH1 3.3Å; C21-R26 PolarHBondContact N-O 3.23Å; C24-R26 PolarHBondContact O-N 2.91Å; C24-R26 VanDerWaalsContact O-N 3.11Å; R26-F28 HydrophobicContact CB-CD2 4.48Å; R26-F28 HydrophobicContact CB-CE2 3.65Å; R26-F28 HydrophobicContact CB-CZ 4.06Å; R26-F28 WeakPolarHBondContact O-CD2 3.18Å; R26-F28 WeakPolarHBondContact O-CE2 3.32Å | ||
| 27 | S | 92.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137.2 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | Y6 E18 L19 | Y6-S27 WeakPolarHBondContact CB-O 3.27Å; Y6-S27 PolarHBondContact N-O 3.39Å; E18-S27 WeakPolarHBondContact OE1-CB 3.44Å; E18-S27 PolarHBondContact OE1-OG 2.92Å; L19-S27 CarbonylContact O-C 3.56Å |
| 28 | F | 94 | Very high | 90.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.6 | -177.2 | -65.8 | -84.9 | 0 | 0 | 0 | 110.5 | Y6 L19 C21 R26 C32 L33 C50 | Y6-F28 HydrophobicContact CD1-CE1 4.04Å; Y6-F28 AromaticContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CG-CE1 4.36Å; Y6-F28 HydrophobicContact CG-CZ 4.25Å; L19-F28 PolarHBondContact N-O 3.19Å; L19-F28 PolarHBondContact O-N 2.73Å; L19-F28 VanDerWaalsContact O-O 3.1Å; C21-F28 HydrophobicContact CB-CD2 3.95Å; C21-F28 HydrophobicContact CB-CE2 3.74Å; R26-F28 HydrophobicContact CB-CD2 4.48Å; R26-F28 HydrophobicContact CB-CE2 3.65Å; R26-F28 HydrophobicContact CB-CZ 4.06Å; R26-F28 WeakPolarHBondContact O-CD2 3.18Å; R26-F28 WeakPolarHBondContact O-CE2 3.32Å; F28-C32 HydrophobicContact CB-CB 4.06Å; F28-C32 HydrophobicContact CD1-CB 3.92Å; F28-C32 HydrophobicContact CG-CB 4.43Å; F28-L33 HydrophobicContact CB-CB 4Å; F28-L33 HydrophobicContact CB-CD1 4.43Å; F28-L33 HydrophobicContact CD2-CD1 4.13Å; F28-L33 HydrophobicContact CG-CD1 4.5Å; F28-C50 HydrophobicContact CD1-CB 4.23Å; F28-C50 HydrophobicContact CD2-CB 3.95Å; F28-C50 HydrophobicContact CE1-CB 3.75Å; F28-C50 HydrophobicContact CE2-CB 3.45Å; F28-C50 VanDerWaalsContact CE2-CB 3.45Å; F28-C50 HydrophobicContact CG-CB 4.32Å; F28-C50 HydrophobicContact CZ-CB 3.34Å |
| 29 | C | 93.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | trans | -78.3 | 164.1 | 167.7 | 63 | 0 | 0 | 0 | 0 | 110.7 | C5 C8 F12 S31 C32 L33 | C5-C29 HydrophobicContact CB-CB 4.28Å; C5-C29 PolarHBondContact SG-N 2.88Å; C5-C29 VanDerWaalsContact SG-SG 3.63Å; C8-C29 VanDerWaalsContact SG-SG 3.64Å; F12-C29 HydrophobicContact CE1-CB 4.25Å; C29-S31 PolarHBondContact O-N 2.87Å; C29-S31 VanDerWaalsContact O-N 3.17Å; C29-S31 PolarHBondContact SG-OG 3.48Å; C29-C32 PolarHBondContact O-N 2.96Å; C29-L33 PolarHBondContact O-N 2.7Å | ||
| 30 | S | 90.4 | Very high | 90.2 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.3 | 179.9 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | L33 | S30-L33 CarbonylContact O-C 3.59Š|
| 31 | S | 88.9 | Confident | 89.6 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -35.2 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | C29 S34 | C29-S31 PolarHBondContact O-N 2.87Å; C29-S31 VanDerWaalsContact O-N 3.17Å; C29-S31 PolarHBondContact SG-OG 3.48Å; S31-S34 PolarHBondContact O-OG 2.92Å; S31-S34 VanDerWaalsContact O-OG 3.12Å |
| 32 | C | 90.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.4 | 177.5 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | C5 F28 C29 | C5-C32 VanDerWaalsContact SG-SG 3.65Å; F28-C32 HydrophobicContact CB-CB 4.06Å; F28-C32 HydrophobicContact CD1-CB 3.92Å; F28-C32 HydrophobicContact CG-CB 4.43Å; C29-C32 PolarHBondContact O-N 2.96Å |
| 33 | L | 92.5 | Very high | 88.5 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 46.8 | 176.7 | -159.6 | 79.4 | 0 | 0 | 0 | 112.3 | L19 G20 C21 F28 C29 S30 K48 C50 | L19-L33 HydrophobicContact CB-CD2 3.57Å; L19-L33 HydrophobicContact CD1-CD2 4.37Å; G20-L33 WeakPolarHBondContact O-CD2 3.5Å; C21-L33 HydrophobicContact CB-CD1 3.82Å; F28-L33 HydrophobicContact CB-CB 4Å; F28-L33 HydrophobicContact CB-CD1 4.43Å; F28-L33 HydrophobicContact CD2-CD1 4.13Å; F28-L33 HydrophobicContact CG-CD1 4.5Å; C29-L33 PolarHBondContact O-N 2.7Å; S30-L33 CarbonylContact O-C 3.59Å; L33-K48 HydrophobicContact CD2-CB 3.89Å; L33-K48 HydrophobicContact CG-CB 4.12Å; L33-C50 HydrophobicContact CD1-CB 4.35Å |
| 34 | S | 88.4 | Confident | 88.2 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | trans | -81.9 | -24.4 | -178.8 | 39.2 | 0 | 0 | 0 | 0 | 113.4 | S31 K48 | S31-S34 PolarHBondContact O-OG 2.92Å; S31-S34 VanDerWaalsContact O-OG 3.12Å; S34-K48 PolarHBondContact O-NZ 3.29Å | ||
| 35 | L | 90.8 | Very high | 88.1 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 152.8 | -169.4 | -57.4 | 175.5 | 0 | 0 | 0 | 112.8 | K48 V49 K51 H54 | L35-K48 WeakPolarHBondContact O-CA 3.48Å; L35-V49 PolarHBondContact O-N 2.82Å; L35-V49 VanDerWaalsContact O-O 3.12Å; L35-K51 HydrophobicContact CD1-CB 4.32Å; L35-K51 HydrophobicContact CD1-CG 3.9Å; L35-H54 HydrophobicContact CB-CB 4.01Å; L35-H54 HydrophobicContact CD1-CB 3.85Å |
| 36 | S | 91.1 | Very high | 88.2 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.1 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | Q47 K48 H54 | S36-Q47 CarbonylContact C-O 3.45Å; S36-Q47 VanDerWaalsContact CA-O 3.23Å; S36-Q47 WeakPolarHBondContact CA-O 3.49Å; S36-K48 WeakPolarHBondContact OG-CD 3.49Å; S36-K48 PolarHBondContact OG-NZ 3.31Å; S36-H54 PolarHBondContact O-CD2 3.01Å; S36-H54 PolarHBondContact O-NE2 3.17Å |
| 37 | A | 90.4 | Very high | 88.2 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 159.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V39 Q47 V49 L57 | A37-V39 PolarHBondContact O-N 3.1Å; A37-Q47 PolarHBondContact N-O 3.32Å; A37-Q47 PolarHBondContact O-N 2.93Å; A37-V49 HydrophobicContact CB-CG2 3.64Å; A37-L57 HydrophobicContact CB-CB 3.94Å; A37-L57 HydrophobicContact CB-CD1 3.88Å |
| 38 | V | 90.5 | Very high | 88.2 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 118.8 | 171.2 | 177.6 | 0 | 0 | 0 | 0 | 108 | N44 | V38-N44 HydrophobicContact CG1-CB 3.97Å; V38-N44 WeakPolarHBondContact CG1-O 3.47Å |
| 39 | V | 87 | Confident | 88.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.8 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | N23 A37 R41 C42 N44 T45 Q47 V49 L57 | N23-V39 HydrophobicContact CB-CG1 4.21Å; N23-V39 HydrophobicContact CB-CG2 4.19Å; A37-V39 PolarHBondContact O-N 3.1Å; V39-R41 HydrophobicContact CG1-CB 4.07Å; V39-R41 PolarHBondContact O-N 2.84Å; V39-C42 HydrophobicContact CB-CB 4.48Å; V39-C42 HydrophobicContact CG1-CB 4.5Å; V39-C42 PolarHBondContact O-N 3.48Å; V39-N44 PolarHBondContact O-N 3.12Å; V39-T45 PolarHBondContact N-O 3.23Å; V39-T45 VanDerWaalsContact N-O 3.07Å; V39-Q47 HydrophobicContact CB-CB 4.36Å; V39-Q47 HydrophobicContact CB-CG 4.49Å; V39-Q47 HydrophobicContact CG2-CB 3.9Å; V39-V49 HydrophobicContact CG2-CG1 3.45Å; V39-V49 VanDerWaalsContact CG2-CG1 3.45Å; V39-L57 HydrophobicContact CG2-CD1 3.95Å |
| 40 | P | 82 | Confident | 88.2 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -57.8 | -35.5 | 179.5 | -27.2 | 35.3 | 0 | 0 | 0 | 113.9 | C42 G43 N44 | P40-C42 PolarHBondContact O-N 3.02Å; P40-C42 VanDerWaalsContact O-N 3.17Å; P40-G43 PolarHBondContact O-N 3.17Å; P40-N44 VanDerWaalsContact CA-OD1 3.23Å; P40-N44 WeakPolarHBondContact CA-OD1 3.49Å |
| 41 | R | 78 | Confident | 88.2 | Confident | 214 Ų | 214 | 65.4 Ų | 65.4 | 81% | 0.808 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -66 | -15.1 | 178.5 | -63.8 | -170.2 | 174.6 | -160.4 | -3.1 | 114.5 | V39 | V39-R41 HydrophobicContact CG1-CB 4.07Å; V39-R41 PolarHBondContact O-N 2.84Å |
| 42 | C | 77.9 | Confident | 88.2 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 32% | 0.324 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -114.4 | 38.9 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | V39 P40 T45 Q47 | V39-C42 HydrophobicContact CB-CB 4.48Å; V39-C42 HydrophobicContact CG1-CB 4.5Å; V39-C42 PolarHBondContact O-N 3.48Å; P40-C42 PolarHBondContact O-N 3.02Å; P40-C42 VanDerWaalsContact O-N 3.17Å; C42-T45 PolarHBondContact O-N 3.33Å; C42-T45 PolarHBondContact O-OG1 3.24Å; C42-Q47 HydrophobicContact CB-CG 4Å |
| 43 | G | 79.4 | Confident | 88.2 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P40 T45 | P40-G43 PolarHBondContact O-N 3.17Å; G43-T45 PolarHBondContact O-N 2.89Å |
| 44 | N | 83.4 | Confident | 88.2 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 60% | 0.599 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34 | -176.8 | -79.1 | -17 | 0 | 0 | 0 | 113.9 | V38 V39 P40 | V38-N44 HydrophobicContact CG1-CB 3.97Å; V38-N44 WeakPolarHBondContact CG1-O 3.47Å; V39-N44 PolarHBondContact O-N 3.12Å; P40-N44 VanDerWaalsContact CA-OD1 3.23Å; P40-N44 WeakPolarHBondContact CA-OD1 3.49Å |
| 45 | T | 87.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 68 Ų | 68 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 153.1 | 174.2 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | V39 C42 G43 Q47 | V39-T45 PolarHBondContact N-O 3.23Å; V39-T45 VanDerWaalsContact N-O 3.07Å; C42-T45 PolarHBondContact O-N 3.33Å; C42-T45 PolarHBondContact O-OG1 3.24Å; G43-T45 PolarHBondContact O-N 2.89Å; T45-Q47 PolarHBondContact O-N 3.45Å; T45-Q47 PolarHBondContact OG1-NE2 3.23Å |
| 46 | Q | 91 | Very high | 88 | Confident | 145 Ų | 145 | 70 Ų | 70 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 113.8 | 176.5 | -169.9 | 177.6 | 20 | 0 | 0 | 109.6 | ||
| 47 | Q | 91.7 | Very high | 87.8 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 153.9 | -175.2 | -64.1 | -60.4 | -32.6 | 0 | 0 | 111.9 | K22 S36 A37 V39 C42 T45 V49 | K22-Q47 HydrophobicContact CB-CB 3.81Å; K22-Q47 HydrophobicContact CB-CG 4.28Å; K22-Q47 HydrophobicContact CG-CB 3.99Å; K22-Q47 HydrophobicContact CG-CG 4.38Å; S36-Q47 CarbonylContact C-O 3.45Å; S36-Q47 VanDerWaalsContact CA-O 3.23Å; S36-Q47 WeakPolarHBondContact CA-O 3.49Å; A37-Q47 PolarHBondContact N-O 3.32Å; A37-Q47 PolarHBondContact O-N 2.93Å; V39-Q47 HydrophobicContact CB-CB 4.36Å; V39-Q47 HydrophobicContact CB-CG 4.49Å; V39-Q47 HydrophobicContact CG2-CB 3.9Å; C42-Q47 HydrophobicContact CB-CG 4Å; T45-Q47 PolarHBondContact O-N 3.45Å; T45-Q47 PolarHBondContact OG1-NE2 3.23Å; Q47-V49 PolarHBondContact O-N 3.27Å |
| 48 | K | 93.3 | Very high | 87.5 | Confident | 98 Ų | 98 | 74.7 Ų | 74.7 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 124.2 | 174.6 | -74.3 | -70.6 | -177.2 | -166.8 | 0 | 110.6 | K22 L33 S34 L35 S36 | K22-K48 PolarHBondContact N-O 3.44Å; L33-K48 HydrophobicContact CD2-CB 3.89Å; L33-K48 HydrophobicContact CG-CB 4.12Å; S34-K48 PolarHBondContact O-NZ 3.29Å; L35-K48 WeakPolarHBondContact O-CA 3.48Å; S36-K48 WeakPolarHBondContact OG-CD 3.49Å; S36-K48 PolarHBondContact OG-NZ 3.31Å |
| 49 | V | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.5 | -176.1 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | C21 N23 L35 A37 V39 Q47 C53 H54 L57 | C21-V49 VanDerWaalsContact SG-CA 3.56Å; N23-V49 HydrophobicContact CB-CG1 3.91Å; L35-V49 PolarHBondContact O-N 2.82Å; L35-V49 VanDerWaalsContact O-O 3.12Å; A37-V49 HydrophobicContact CB-CG2 3.64Å; V39-V49 HydrophobicContact CG2-CG1 3.45Å; V39-V49 VanDerWaalsContact CG2-CG1 3.45Å; Q47-V49 PolarHBondContact O-N 3.27Å; V49-C53 HydrophobicContact CB-CB 3.97Å; V49-C53 HydrophobicContact CG1-CB 4.47Å; V49-H54 HydrophobicContact CG2-CB 3.81Å; V49-L57 HydrophobicContact CG1-CD1 4.3Å |
| 50 | C | 93.3 | Very high | 85.3 | Confident | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.041 | 43% | 0.429 | C | S | . | . | trans | -71.4 | 162.4 | 175.9 | 73.5 | 0 | 0 | 0 | 0 | 110.7 | C21 F28 L33 Q52 C53 H54 | C21-C50 HydrophobicContact CB-CB 4.29Å; C21-C50 PolarHBondContact SG-N 3.31Å; F28-C50 HydrophobicContact CD1-CB 4.23Å; F28-C50 HydrophobicContact CD2-CB 3.95Å; F28-C50 HydrophobicContact CE1-CB 3.75Å; F28-C50 HydrophobicContact CE2-CB 3.45Å; F28-C50 VanDerWaalsContact CE2-CB 3.45Å; F28-C50 HydrophobicContact CG-CB 4.32Å; F28-C50 HydrophobicContact CZ-CB 3.34Å; L33-C50 HydrophobicContact CD1-CB 4.35Å; C50-Q52 PolarHBondContact O-N 3.47Å; C50-Q52 VanDerWaalsContact O-N 3.17Å; C50-C53 PolarHBondContact O-N 3.49Å; C50-C53 PolarHBondContact SG-N 2.86Å; C50-C53 PolarHBondContact SG-SG 3.22Å; C50-H54 WeakPolarHBondContact O-CB 3.36Å; C50-H54 PolarHBondContact O-N 3.18Å | ||
| 51 | K | 90.1 | Very high | 84 | Confident | 132 Ų | 132 | 88.3 Ų | 88.3 | 57% | 0.574 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -52.2 | -40.8 | -178.5 | -62.3 | -175.9 | -180 | -178.6 | 0 | 113.7 | L35 H54 S55 | L35-K51 HydrophobicContact CD1-CB 4.32Å; L35-K51 HydrophobicContact CD1-CG 3.9Å; K51-H54 PolarHBondContact O-N 2.97Å; K51-S55 PolarHBondContact O-N 3.3Å; K51-S55 PolarHBondContact O-OG 2.87Å |
| 52 | Q | 89.4 | Confident | 82.4 | Confident | 122 Ų | 122 | 81.2 Ų | 81.2 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | 178.1 | -170 | 63.8 | 46.8 | 0 | 0 | 112.9 | C50 S55 N56 | C50-Q52 PolarHBondContact O-N 3.47Å; C50-Q52 VanDerWaalsContact O-N 3.17Å; Q52-S55 WeakPolarHBondContact CA-OG 3.23Å; Q52-S55 PolarHBondContact O-OG 2.76Å; Q52-N56 PolarHBondContact NE2-OD1 3.48Å; Q52-N56 WeakPolarHBondContact O-CB 3.39Å; Q52-N56 PolarHBondContact O-N 3.41Å; Q52-N56 VanDerWaalsContact O-N 3.1Å; Q52-N56 PolarHBondContact O-ND2 3.42Å; Q52-N56 PolarHBondContact O-OD1 2.88Å |
| 53 | C | 90.4 | Very high | 81.2 | Confident | 9 Ų | 9 | 84.2 Ų | 84.2 | 6% | 0.061 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 177.8 | -70.8 | 0 | 0 | 0 | 0 | 111 | N23 V49 C50 N56 L57 | N23-C53 HydrophobicContact CB-CB 3.85Å; N23-C53 WeakPolarHBondContact ND2-CB 3.48Å; N23-C53 PolarHBondContact ND2-SG 2.95Å; V49-C53 HydrophobicContact CB-CB 3.97Å; V49-C53 HydrophobicContact CG1-CB 4.47Å; C50-C53 PolarHBondContact O-N 3.49Å; C50-C53 PolarHBondContact SG-N 2.86Å; C50-C53 PolarHBondContact SG-SG 3.22Å; C53-N56 PolarHBondContact O-N 3.46Å; C53-L57 VanDerWaalsContact O-CB 3.32Å; C53-L57 WeakPolarHBondContact O-CB 3.39Å; C53-L57 WeakPolarHBondContact O-CD1 3.27Å; C53-L57 WeakPolarHBondContact O-CG 3.2Å; C53-L57 PolarHBondContact O-N 3.05Å |
| 54 | H | 92.1 | Very high | 79.6 | Confident | 47 Ų | 47 | 87.2 Ų | 87.2 | 22% | 0.218 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 172.4 | -172 | -90.4 | 0 | 0 | 0 | 111.1 | L35 S36 V49 C50 K51 N56 L57 T58 | L35-H54 HydrophobicContact CB-CB 4.01Å; L35-H54 HydrophobicContact CD1-CB 3.85Å; S36-H54 PolarHBondContact O-CD2 3.01Å; S36-H54 PolarHBondContact O-NE2 3.17Å; V49-H54 HydrophobicContact CG2-CB 3.81Å; C50-H54 WeakPolarHBondContact O-CB 3.36Å; C50-H54 PolarHBondContact O-N 3.18Å; K51-H54 PolarHBondContact O-N 2.97Å; H54-N56 VanDerWaalsContact C-N 3.28Å; H54-N56 PolarHBondContact O-N 3.25Å; H54-L57 PolarHBondContact O-N 3.48Å; H54-T58 PolarHBondContact CE1-OG1 2.96Å; H54-T58 VanDerWaalsContact O-CB 3.27Å; H54-T58 WeakPolarHBondContact O-CB 3.14Å; H54-T58 PolarHBondContact O-N 3.03Å; H54-T58 PolarHBondContact O-OG1 2.62Å |
| 55 | S | 88.4 | Confident | 77.9 | Confident | 46 Ų | 46 | 87.3 Ų | 87.3 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 177.5 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | K51 Q52 R59 | K51-S55 PolarHBondContact O-N 3.3Å; K51-S55 PolarHBondContact O-OG 2.87Å; Q52-S55 WeakPolarHBondContact CA-OG 3.23Å; Q52-S55 PolarHBondContact O-OG 2.76Å; S55-R59 WeakPolarHBondContact O-CB 3.32Å; S55-R59 PolarHBondContact O-N 3.12Å; S55-R59 VanDerWaalsContact O-N 3.13Å |
| 56 | N | 87.9 | Confident | 76.1 | Confident | 100 Ų | 100 | 88.2 Ų | 88.2 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.3 | -36.5 | -179.2 | -66.3 | -2 | 0 | 0 | 0 | 112.3 | Q52 C53 H54 | Q52-N56 PolarHBondContact NE2-OD1 3.48Å; Q52-N56 WeakPolarHBondContact O-CB 3.39Å; Q52-N56 PolarHBondContact O-N 3.41Å; Q52-N56 VanDerWaalsContact O-N 3.1Å; Q52-N56 PolarHBondContact O-ND2 3.42Å; Q52-N56 PolarHBondContact O-OD1 2.88Å; C53-N56 PolarHBondContact O-N 3.46Å; H54-N56 VanDerWaalsContact C-N 3.28Å; H54-N56 PolarHBondContact O-N 3.25Å |
| 57 | L | 86.2 | Confident | 74.3 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 28% | 0.283 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.3 | -33.8 | -179.7 | -67.5 | 167.8 | 0 | 0 | 0 | 112.4 | N23 A37 V39 V49 C53 H54 | N23-L57 HydrophobicContact CB-CD1 4.24Å; A37-L57 HydrophobicContact CB-CB 3.94Å; A37-L57 HydrophobicContact CB-CD1 3.88Å; V39-L57 HydrophobicContact CG2-CD1 3.95Å; V49-L57 HydrophobicContact CG1-CD1 4.3Å; C53-L57 VanDerWaalsContact O-CB 3.32Å; C53-L57 WeakPolarHBondContact O-CB 3.39Å; C53-L57 WeakPolarHBondContact O-CD1 3.27Å; C53-L57 WeakPolarHBondContact O-CG 3.2Å; C53-L57 PolarHBondContact O-N 3.05Å; H54-L57 PolarHBondContact O-N 3.48Å |
| 58 | T | 82.8 | Confident | 72.4 | Confident | 91 Ų | 91 | 91 Ų | 91 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -83.2 | -25.9 | -179.2 | -51 | 0 | 0 | 0 | 0 | 112.9 | H54 G60 | H54-T58 PolarHBondContact CE1-OG1 2.96Å; H54-T58 VanDerWaalsContact O-CB 3.27Å; H54-T58 WeakPolarHBondContact O-CB 3.14Å; H54-T58 PolarHBondContact O-N 3.03Å; H54-T58 PolarHBondContact O-OG1 2.62Å; T58-G60 VanDerWaalsContact C-N 3.27Å; T58-G60 PolarHBondContact O-N 3.43Å |
| 59 | R | 74.6 | Confident | 70.3 | Confident | 190 Ų | 190 | 97.2 Ų | 97.2 | 72% | 0.717 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -80.1 | -7.1 | -176.5 | -158.8 | 170.2 | -169.9 | -129.7 | 2.4 | 113.8 | S55 | S55-R59 WeakPolarHBondContact O-CB 3.32Å; S55-R59 PolarHBondContact O-N 3.12Å; S55-R59 VanDerWaalsContact O-N 3.13Å |
| 60 | G | 58.3 | Low | 68.7 | Low | 44 Ų | 44 | 101.1 Ų | 101.1 | 45% | 0.454 | 54% | 0.541 | S | S | . | . | trans | 61.3 | 157.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T58 S62 | T58-G60 VanDerWaalsContact C-N 3.27Å; T58-G60 PolarHBondContact O-N 3.43Å; G60-S62 PolarHBondContact O-N 2.9Å; G60-S62 PolarHBondContact O-OG 2.72Å | ||
| 61 | E | 53.6 | Low | 67.7 | Low | 211 Ų | 211 | 103.6 Ų | 103.6 | 99% | 0.986 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -64 | 83.9 | 174.8 | -73.7 | 174.9 | 138.5 | 0 | 0 | 110.9 | ||
| 62 | S | 44.9 | Very low | 67.1 | Low | 65 Ų | 65 | 101.9 Ų | 101.9 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | trans | -104.8 | 88.3 | 161.6 | 38.2 | 0 | 0 | 0 | 0 | 107.2 | G60 N64 | G60-S62 PolarHBondContact O-N 2.9Å; G60-S62 PolarHBondContact O-OG 2.72Å; S62-N64 PolarHBondContact O-N 2.95Å | ||
| 63 | S | 53.7 | Low | 66.3 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 78% | 0.783 | 56% | 0.561 | S | S | * | * | trans | -50.6 | 105.2 | 163.2 | 175.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 64 | N | 45.1 | Very low | 65.3 | Low | 127 Ų | 127 | 107.3 Ų | 107.3 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | trans | -137.4 | 69 | 170.9 | -113.9 | -47.3 | 0 | 0 | 0 | 109.2 | S62 A66 | S62-N64 PolarHBondContact O-N 2.95Å; N64-A66 PolarHBondContact O-N 3.34Å; N64-A66 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 65 | N | 48.4 | Very low | 64.7 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | trans | -78.9 | 31.5 | 159.8 | -95.8 | -82.5 | 0 | 0 | 0 | 111.1 | R68 | N65-R68 PolarHBondContact OD1-NH1 3.49Š| ||
| 66 | A | 50.1 | Low | 64.6 | Low | 81 Ų | 81 | 114 Ų | 114 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -83.2 | -11.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | N64 | N64-A66 PolarHBondContact O-N 3.34Å; N64-A66 WeakPolarHBondContact OD1-CB 3.35Å |
| 67 | G | 52.5 | Low | 64.4 | Low | 66 Ų | 66 | 115.6 Ų | 115.6 | 68% | 0.68 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -100.3 | -6.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | W69 | G67-W69 VanDerWaalsContact C-N 3.32Å; G67-W69 PolarHBondContact O-N 3.21Å |
| 68 | R | 50.8 | Low | 64 | Low | 195 Ų | 195 | 120.9 Ų | 120.9 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -9.7 | -168.4 | -131.1 | 174.3 | 92.6 | -158.3 | 12.2 | 114.7 | N65 | N65-R68 PolarHBondContact OD1-NH1 3.49Š|
| 69 | W | 49.7 | Very low | 63.8 | Low | 229 Ų | 229 | 118.7 Ų | 118.7 | 87% | 0.867 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.7 | 45.9 | -173.8 | -136.9 | -67.5 | 0 | 0 | 0 | 113.1 | G67 | G67-W69 VanDerWaalsContact C-N 3.32Å; G67-W69 PolarHBondContact O-N 3.21Å |
| 70 | S | 61 | Low | 64.2 | Low | 81 Ų | 81 | 112.2 Ų | 112.2 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 121.9 | 160 | -87.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 71 | P | 71.1 | Confident | 65.1 | Low | 58 Ų | 58 | 112.9 Ų | 112.9 | 38% | 0.377 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 142.2 | 172.5 | -26 | 34.2 | 0 | 0 | 0 | 110.9 | E73 Y75 K76 | P71-E73 PolarHBondContact O-N 3.1Å; P71-Y75 HydrophobicContact CB-CD1 3.78Å; P71-Y75 HydrophobicContact CB-CE1 4.46Å; P71-K76 HydrophobicContact CB-CG 4.4Å; P71-K76 WeakPolarHBondContact O-CE 3.28Å |
| 72 | P | 77.8 | Confident | 66.2 | Low | 97 Ų | 97 | 107.6 Ų | 107.6 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 141.6 | 179.7 | -27.7 | 34.5 | 0 | 0 | 0 | 112 | N74 Y75 K76 | P72-N74 PolarHBondContact O-N 3.42Å; P72-Y75 WeakPolarHBondContact O-CA 3.33Å; P72-Y75 WeakPolarHBondContact O-CB 3.2Å; P72-Y75 PolarHBondContact O-N 2.79Å; P72-K76 PolarHBondContact O-N 3.28Å |
| 73 | E | 74.1 | Confident | 67.8 | Low | 127 Ų | 127 | 110.9 Ų | 110.9 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -49 | -37.2 | -176 | -155 | 80.6 | -179.1 | 0 | 0 | 113 | P71 Y75 K76 K77 | P71-E73 PolarHBondContact O-N 3.1Å; E73-Y75 VanDerWaalsContact C-N 3.34Å; E73-Y75 PolarHBondContact O-N 2.71Å; E73-K76 PolarHBondContact O-N 2.95Å; E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.36Å; E73-K77 VanDerWaalsContact O-N 3.11Å |
| 74 | N | 67.8 | Low | 68.8 | Low | 118 Ų | 118 | 109.5 Ų | 109.5 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.8 | -29.7 | 178.8 | -91.2 | -56.1 | 0 | 0 | 0 | 114 | P72 R78 | P72-N74 PolarHBondContact O-N 3.42Å; N74-R78 WeakPolarHBondContact O-CB 3.49Å; N74-R78 PolarHBondContact O-N 3.47Å |
| 75 | Y | 79.8 | Confident | 70 | Confident | 138 Ų | 138 | 111.2 Ų | 111.2 | 54% | 0.541 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.1 | -46.6 | 175.5 | 179.9 | -97.6 | 0 | 0 | 0 | 110.2 | P71 P72 E73 K77 R78 V79 | P71-Y75 HydrophobicContact CB-CD1 3.78Å; P71-Y75 HydrophobicContact CB-CE1 4.46Å; P72-Y75 WeakPolarHBondContact O-CA 3.33Å; P72-Y75 WeakPolarHBondContact O-CB 3.2Å; P72-Y75 PolarHBondContact O-N 2.79Å; E73-Y75 VanDerWaalsContact C-N 3.34Å; E73-Y75 PolarHBondContact O-N 2.71Å; Y75-K77 VanDerWaalsContact C-N 3.33Å; Y75-K77 PolarHBondContact O-N 3.16Å; Y75-R78 WeakPolarHBondContact O-CB 3.43Å; Y75-R78 PolarHBondContact O-N 2.83Å; Y75-V79 HydrophobicContact CD1-CG2 4.1Å; Y75-V79 HydrophobicContact CE1-CG2 3.73Å; Y75-V79 HydrophobicContact CE2-CG2 4.26Å; Y75-V79 WeakPolarHBondContact O-CG2 2.92Å; Y75-V79 PolarHBondContact O-N 2.78Å |
| 76 | K | 86.6 | Confident | 70.7 | Confident | 94 Ų | 94 | 113.5 Ų | 113.5 | 41% | 0.409 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57 | -44.2 | 176.4 | -64.1 | 176.2 | 178 | 171.4 | 0 | 112.1 | P71 P72 E73 R78 V79 A80 | P71-K76 HydrophobicContact CB-CG 4.4Å; P71-K76 WeakPolarHBondContact O-CE 3.28Å; P72-K76 PolarHBondContact O-N 3.28Å; E73-K76 PolarHBondContact O-N 2.95Å; K76-R78 VanDerWaalsContact C-N 3.3Å; K76-R78 PolarHBondContact O-N 3.5Å; K76-V79 PolarHBondContact O-N 2.84Å; K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.26Å |
| 77 | K | 84.3 | Confident | 71 | Confident | 135 Ų | 135 | 118.7 Ų | 118.7 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.2 | -35.1 | 175.6 | -72.1 | 177.1 | -178.6 | -179.1 | 0 | 113 | E73 Y75 A81 | E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.36Å; E73-K77 VanDerWaalsContact O-N 3.11Å; Y75-K77 VanDerWaalsContact C-N 3.33Å; Y75-K77 PolarHBondContact O-N 3.16Å; K77-A81 WeakPolarHBondContact O-CB 3.48Å; K77-A81 PolarHBondContact O-N 3.33Å |
| 78 | R | 78.1 | Confident | 70.8 | Confident | 164 Ų | 164 | 121.5 Ų | 121.5 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.8 | -40.1 | -179.6 | -149.4 | -175.7 | -53.3 | 169.9 | 3.5 | 111.6 | N74 Y75 K76 A81 L82 | N74-R78 WeakPolarHBondContact O-CB 3.49Å; N74-R78 PolarHBondContact O-N 3.47Å; Y75-R78 WeakPolarHBondContact O-CB 3.43Å; Y75-R78 PolarHBondContact O-N 2.83Å; K76-R78 VanDerWaalsContact C-N 3.3Å; K76-R78 PolarHBondContact O-N 3.5Å; R78-A81 PolarHBondContact O-N 2.86Å; R78-L82 VanDerWaalsContact O-CG 3.27Å; R78-L82 WeakPolarHBondContact O-CG 3.19Å; R78-L82 PolarHBondContact O-N 3.4Å; R78-L82 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 78.9 | Confident | 70.4 | Confident | 45 Ų | 45 | 121.4 Ų | 121.4 | 27% | 0.273 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.7 | -46.9 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | Y75 K76 A81 L82 E83 | Y75-V79 HydrophobicContact CD1-CG2 4.1Å; Y75-V79 HydrophobicContact CE1-CG2 3.73Å; Y75-V79 HydrophobicContact CE2-CG2 4.26Å; Y75-V79 WeakPolarHBondContact O-CG2 2.92Å; Y75-V79 PolarHBondContact O-N 2.78Å; K76-V79 PolarHBondContact O-N 2.84Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.2Å; V79-L82 PolarHBondContact O-N 3.11Å; V79-E83 HydrophobicContact CG1-CG 4.38Å; V79-E83 PolarHBondContact O-N 3.44Å |
| 80 | A | 82.1 | Confident | 70 | Confident | 55 Ų | 55 | 115.8 Ų | 115.8 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.1 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K76 A84 | K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.26Å; A80-A84 WeakPolarHBondContact O-CB 3.37Å; A80-A84 PolarHBondContact O-N 3.42Å |
| 81 | A | 77.6 | Confident | 68.7 | Low | 58 Ų | 58 | 118.3 Ų | 118.3 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.5 | -26.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K77 R78 V79 | K77-A81 WeakPolarHBondContact O-CB 3.48Å; K77-A81 PolarHBondContact O-N 3.33Å; R78-A81 PolarHBondContact O-N 2.86Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.2Å |
| 82 | L | 76.8 | Confident | 67.1 | Low | 99 Ų | 99 | 124.2 Ų | 124.2 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -79.6 | -39.3 | 175.2 | -71.5 | 171.4 | 0 | 0 | 0 | 111.4 | R78 V79 K85 Q86 | R78-L82 VanDerWaalsContact O-CG 3.27Å; R78-L82 WeakPolarHBondContact O-CG 3.19Å; R78-L82 PolarHBondContact O-N 3.4Å; R78-L82 VanDerWaalsContact O-N 3.11Å; V79-L82 PolarHBondContact O-N 3.11Å; L82-K85 WeakPolarHBondContact O-CB 3.46Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-K85 VanDerWaalsContact O-N 3.14Å; L82-Q86 PolarHBondContact O-N 3.38Å |
| 83 | E | 78 | Confident | 65.4 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.9 | -38.8 | 174.7 | -73.1 | 178.5 | 154.4 | 0 | 0 | 111.9 | V79 K85 Q86 | V79-E83 HydrophobicContact CG1-CG 4.38Å; V79-E83 PolarHBondContact O-N 3.44Å; E83-K85 PolarHBondContact O-N 3.46Å; E83-Q86 PolarHBondContact O-N 3.24Å |
| 84 | A | 74.2 | Confident | 63.4 | Low | 83 Ų | 83 | 122.3 Ų | 122.3 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -21.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A80 | A80-A84 WeakPolarHBondContact O-CB 3.37Å; A80-A84 PolarHBondContact O-N 3.42Å |
| 85 | K | 70.4 | Confident | 61.7 | Low | 163 Ų | 163 | 122.3 Ų | 122.3 | 71% | 0.709 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -13.2 | 179.8 | -102.8 | 166.6 | 165.9 | 177.7 | 0 | 114.4 | L82 E83 | L82-K85 WeakPolarHBondContact O-CB 3.46Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-K85 VanDerWaalsContact O-N 3.14Å; E83-K85 PolarHBondContact O-N 3.46Å |
| 86 | Q | 63.8 | Low | 59.5 | Low | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -97.4 | -2 | -174.2 | -79.6 | -171.4 | 26.9 | 0 | 0 | 115.1 | L82 E83 | L82-Q86 PolarHBondContact O-N 3.38Å; E83-Q86 PolarHBondContact O-N 3.24Å |
| 87 | K | 55.9 | Low | 56.9 | Low | 189 Ų | 189 | 124 Ų | 124 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -77.1 | 127.1 | 170.2 | -85.8 | -178.1 | 176.6 | 177.9 | 0 | 110.7 | Q89 | K87-Q89 PolarHBondContact O-N 2.87Š|
| 88 | P | 47.7 | Very low | 54.5 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -84.5 | 112 | 177.8 | 31.7 | -29.2 | 0 | 0 | 0 | 110.3 | ||||
| 89 | Q | 42.8 | Very low | 52.6 | Low | 193 Ų | 193 | 118.7 Ų | 118.7 | 90% | 0.902 | 71% | 0.713 | S | S | * | * | trans | -133.7 | 115.3 | 154.1 | -87.3 | -171.3 | -28.7 | 0 | 0 | 109.9 | K87 | K87-Q89 PolarHBondContact O-N 2.87Š| ||
| 90 | S | 40.8 | Very low | 51.2 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -69.6 | 120.7 | 160 | 170.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 91 | T | 34.7 | Very low | 49 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | 168.6 | 135.4 | 125.4 | 35.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 92 | Q | 37.7 | Very low | 47.5 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -71.9 | 179 | -179.5 | -66.2 | -78 | -36.3 | 0 | 0 | 111.9 | ||||
| 93 | P | 41.5 | Very low | 45.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | cis | -135.8 | 166.5 | 4.8 | 37.8 | -18.9 | 0 | 0 | 0 | 115.8 | ||||
| 94 | G | 31.6 | Very low | 43.8 | Very low | 62 Ų | 62 | 136.7 Ų | 136.7 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | 118.5 | 101.1 | 146 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 95 | V | 32.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | 65 | 132.6 | 136.9 | -142.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 96 | H | 34.3 | Very low | 41.1 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | 108.1 | 116.1 | 158.3 | -50.9 | -63.5 | 0 | 0 | 0 | 116 | ||||
| 97 | G | 32.3 | Very low | 40.7 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -78.7 | -175.1 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 98 | G | 33.3 | Very low | 40.6 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | cis | -171.3 | 140 | 6.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 99 | S | 39 | Very low | 41 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -93 | 143.2 | 178.5 | -175 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 100 | R | 48.8 | Very low | 41.8 | Very low | 226 Ų | 226 | 130.5 Ų | 130.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -39.4 | 133.6 | 171.3 | -63.2 | 166.1 | 162.3 | 167.4 | -6.4 | 114.3 | ||||
| 101 | N | 36 | Very low | 42.7 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | 177.1 | 144.5 | 121.6 | -97.7 | 4.5 | 0 | 0 | 0 | 110 | K103 | N101-K103 PolarHBondContact O-N 3.39Š| |||
| 102 | G | 45.2 | Very low | 44 | Very low | 88 Ų | 88 | 127 Ų | 127 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | -52.3 | 101 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 103 | K | 37.4 | Very low | 45.8 | Very low | 193 Ų | 193 | 120.7 Ų | 120.7 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -98.7 | 118.1 | 160.5 | -70.5 | -179.7 | 178.1 | -179.3 | 0 | 105.6 | N101 V105 | N101-K103 PolarHBondContact O-N 3.39Å; K103-V105 PolarHBondContact O-N 3.27Å | ||
| 104 | S | 40.2 | Very low | 47.8 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -46.9 | 116.2 | 162.5 | 46.9 | 0 | 0 | 0 | 0 | 108 | H106 | S104-H106 PolarHBondContact O-N 2.96Š| ||
| 105 | V | 37.8 | Very low | 50.1 | Low | 117 Ų | 117 | 125.9 Ų | 125.9 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -54.6 | 109.9 | 171.7 | 178.2 | 0 | 0 | 0 | 0 | 106.6 | K103 L107 | K103-V105 PolarHBondContact O-N 3.27Å; V105-L107 HydrophobicContact CG1-CD2 4.27Å; V105-L107 HydrophobicContact CG1-CG 4.04Å; V105-L107 PolarHBondContact O-N 2.93Å | ||
| 106 | H | 48.8 | Very low | 52.2 | Low | 165 Ų | 165 | 123.7 Ų | 123.7 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -69.9 | 90.4 | 161.3 | -169.8 | -75.3 | 0 | 0 | 0 | 105.4 | S104 | S104-H106 PolarHBondContact O-N 2.96Š| ||
| 107 | L | 56.3 | Low | 54.6 | Low | 130 Ų | 130 | 120 Ų | 120 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | trans | -57.7 | 128.7 | 168.4 | -78.4 | 158.7 | 0 | 0 | 0 | 106.8 | V105 T109 | V105-L107 HydrophobicContact CG1-CD2 4.27Å; V105-L107 HydrophobicContact CG1-CG 4.04Å; V105-L107 PolarHBondContact O-N 2.93Å; L107-T109 PolarHBondContact O-N 3.42Å; L107-T109 VanDerWaalsContact O-N 3.09Å | ||
| 108 | P | 53.6 | Low | 57.2 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | -63.6 | 117.1 | 173 | 24.2 | -28.7 | 0 | 0 | 0 | 107.5 | K110 | P108-K110 PolarHBondContact O-N 3.13Š| ||
| 109 | T | 56.2 | Low | 59.5 | Low | 67 Ų | 67 | 119 Ų | 119 | 41% | 0.411 | 65% | 0.654 | S | S | . | * | trans | -68.3 | 14.7 | -180 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | L107 G111 Y117 | L107-T109 PolarHBondContact O-N 3.42Å; L107-T109 VanDerWaalsContact O-N 3.09Å; T109-G111 PolarHBondContact O-N 3.08Å; T109-Y117 VanDerWaalsContact CB-OH 3.3Å; T109-Y117 WeakPolarHBondContact CB-OH 3.43Å; T109-Y117 HydrophobicContact CG2-CE1 4.21Å; T109-Y117 PolarHBondContact O-OH 2.92Å; T109-Y117 PolarHBondContact OG1-OH 2.77Å | ||
| 110 | K | 59.5 | Low | 61.5 | Low | 202 Ų | 202 | 116 Ų | 116 | 88% | 0.878 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 84.3 | -177.4 | -154.2 | 82.1 | -179.6 | -175.6 | 0 | 110.1 | P108 | P108-K110 PolarHBondContact O-N 3.13Š|
| 111 | G | 60.1 | Low | 63.4 | Low | 77 Ų | 77 | 112 Ų | 112 | 79% | 0.794 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.8 | 4.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | T109 | T109-G111 PolarHBondContact O-N 3.08Š|
| 112 | L | 62 | Low | 65.8 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 49% | 0.487 | 62% | 0.622 | S | S | . | * | trans | -87.4 | 148.6 | -177.7 | -67.3 | 176.3 | 0 | 0 | 0 | 112.4 | D116 Y117 | L112-D116 HydrophobicContact CB-CB 3.89Å; L112-D116 HydrophobicContact CD1-CB 4.46Å; L112-D116 HydrophobicContact CD2-CB 4.34Å; L112-D116 HydrophobicContact CG-CB 4.46Å; L112-Y117 HydrophobicContact CB-CD2 3.94Å; L112-Y117 HydrophobicContact CB-CE2 4.01Å | ||
| 113 | S | 75.4 | Confident | 67.6 | Low | 50 Ų | 50 | 114.8 Ų | 114.8 | 35% | 0.35 | 61% | 0.606 | S | S | . | * | trans | -63.5 | 162.3 | 174.4 | 71.4 | 0 | 0 | 0 | 0 | 111 | E115 D116 Y117 | S113-E115 WeakPolarHBondContact CB-OE2 3.5Å; S113-E115 PolarHBondContact O-N 3.04Å; S113-E115 PolarHBondContact OG-OE2 3.02Å; S113-D116 PolarHBondContact O-N 2.97Å; S113-D116 PolarHBondContact OG-N 3.25Å; S113-D116 PolarHBondContact OG-OD2 3.06Å; S113-Y117 PolarHBondContact O-N 3.35Å; S113-Y117 VanDerWaalsContact O-N 3.16Å | ||
| 114 | K | 83.6 | Confident | 69.8 | Low | 174 Ų | 174 | 111.3 Ų | 111.3 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -30.4 | -176.1 | -168.8 | 177.6 | -179.1 | -174.6 | 0 | 111.4 | A118 | K114-A118 PolarHBondContact O-N 3.46Å |
| 115 | E | 80.4 | Confident | 71.9 | Confident | 120 Ų | 120 | 112.8 Ų | 112.8 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.7 | -44 | 178.4 | -61.9 | 66.6 | -144.5 | 0 | 0 | 110.7 | S113 Y117 A118 I119 | S113-E115 WeakPolarHBondContact CB-OE2 3.5Å; S113-E115 PolarHBondContact O-N 3.04Å; S113-E115 PolarHBondContact OG-OE2 3.02Å; E115-Y117 VanDerWaalsContact C-N 3.3Å; E115-Y117 PolarHBondContact O-N 3.12Å; E115-A118 PolarHBondContact O-N 3.07Å; E115-I119 VanDerWaalsContact O-CG1 3.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.36Å; E115-I119 PolarHBondContact O-N 2.85Å |
| 116 | D | 76.8 | Confident | 73.9 | Confident | 71 Ų | 71 | 111.6 Ų | 111.6 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -33.9 | 178.4 | -67.2 | -39 | 0 | 0 | 0 | 112.3 | L112 S113 I119 A120 | L112-D116 HydrophobicContact CB-CB 3.89Å; L112-D116 HydrophobicContact CD1-CB 4.46Å; L112-D116 HydrophobicContact CD2-CB 4.34Å; L112-D116 HydrophobicContact CG-CB 4.46Å; S113-D116 PolarHBondContact O-N 2.97Å; S113-D116 PolarHBondContact OG-N 3.25Å; S113-D116 PolarHBondContact OG-OD2 3.06Å; D116-I119 PolarHBondContact O-N 2.73Å; D116-A120 WeakPolarHBondContact O-CB 3.35Å; D116-A120 PolarHBondContact O-N 3.32Å |
| 117 | Y | 83.8 | Confident | 75.2 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 40% | 0.396 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.7 | -43.7 | 172 | -96.1 | -80.7 | 0 | 0 | 0 | 112.5 | T109 L112 S113 E115 I119 A120 E121 | T109-Y117 VanDerWaalsContact CB-OH 3.3Å; T109-Y117 WeakPolarHBondContact CB-OH 3.43Å; T109-Y117 HydrophobicContact CG2-CE1 4.21Å; T109-Y117 PolarHBondContact O-OH 2.92Å; T109-Y117 PolarHBondContact OG1-OH 2.77Å; L112-Y117 HydrophobicContact CB-CD2 3.94Å; L112-Y117 HydrophobicContact CB-CE2 4.01Å; S113-Y117 PolarHBondContact O-N 3.35Å; S113-Y117 VanDerWaalsContact O-N 3.16Å; E115-Y117 VanDerWaalsContact C-N 3.3Å; E115-Y117 PolarHBondContact O-N 3.12Å; Y117-I119 VanDerWaalsContact C-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.17Å; Y117-A120 PolarHBondContact O-N 3.12Å; Y117-E121 PolarHBondContact O-N 3.14Å |
| 118 | A | 86.3 | Confident | 76.1 | Confident | 53 Ų | 53 | 111 Ų | 111 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -36.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K114 E115 R122 | K114-A118 PolarHBondContact O-N 3.46Å; E115-A118 PolarHBondContact O-N 3.07Å; A118-R122 WeakPolarHBondContact O-CB 3.45Å; A118-R122 PolarHBondContact O-N 3.5Å |
| 119 | I | 81.9 | Confident | 76.8 | Confident | 94 Ų | 94 | 111.1 Ų | 111.1 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67 | -44.3 | 174.8 | -64.4 | 162.7 | 0 | 0 | 0 | 110.3 | E115 D116 Y117 E121 R122 L123 | E115-I119 VanDerWaalsContact O-CG1 3.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.36Å; E115-I119 PolarHBondContact O-N 2.85Å; D116-I119 PolarHBondContact O-N 2.73Å; Y117-I119 VanDerWaalsContact C-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.17Å; I119-E121 PolarHBondContact O-N 3.09Å; I119-R122 PolarHBondContact O-N 2.8Å; I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 VanDerWaalsContact O-CG 3.26Å; I119-L123 WeakPolarHBondContact O-CG 3.08Å; I119-L123 PolarHBondContact O-N 2.69Å |
| 120 | A | 82.4 | Confident | 77.2 | Confident | 46 Ų | 46 | 113 Ų | 113 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.4 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D116 Y117 L123 Q124 | D116-A120 WeakPolarHBondContact O-CB 3.35Å; D116-A120 PolarHBondContact O-N 3.32Å; Y117-A120 PolarHBondContact O-N 3.12Å; A120-L123 PolarHBondContact O-N 2.94Å; A120-Q124 PolarHBondContact O-N 2.87Å |
| 121 | E | 88.1 | Confident | 77.6 | Confident | 142 Ų | 142 | 111 Ų | 111 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -44.3 | 176 | -173.7 | 179.4 | -159.4 | 0 | 0 | 111.6 | Y117 I119 L123 Q124 K125 | Y117-E121 PolarHBondContact O-N 3.14Å; I119-E121 PolarHBondContact O-N 3.09Å; E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 3Å; E121-Q124 PolarHBondContact O-N 3.21Å; E121-K125 PolarHBondContact O-N 3.38Å |
| 122 | R | 87 | Confident | 77.5 | Confident | 190 Ų | 190 | 112.8 Ų | 112.8 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -40 | 177 | -169.8 | 177.3 | -171.4 | 176.3 | 2.9 | 112.2 | A118 I119 K125 L126 | A118-R122 WeakPolarHBondContact O-CB 3.45Å; A118-R122 PolarHBondContact O-N 3.5Å; I119-R122 PolarHBondContact O-N 2.8Å; R122-K125 PolarHBondContact O-N 3.02Å; R122-L126 HydrophobicContact CG-CD1 4.39Å; R122-L126 WeakPolarHBondContact O-CG 3.4Å; R122-L126 PolarHBondContact O-N 3.02Å |
| 123 | L | 82.7 | Confident | 77.4 | Confident | 108 Ų | 108 | 117.1 Ų | 117.1 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67 | -36.4 | 175.9 | -72.8 | 172.6 | 0 | 0 | 0 | 112 | I119 A120 E121 K127 | I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 VanDerWaalsContact O-CG 3.26Å; I119-L123 WeakPolarHBondContact O-CG 3.08Å; I119-L123 PolarHBondContact O-N 2.69Å; A120-L123 PolarHBondContact O-N 2.94Å; E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 3Å; L123-K127 WeakPolarHBondContact O-CB 3.2Å; L123-K127 PolarHBondContact O-N 3.23Å; L123-K127 VanDerWaalsContact O-N 3.16Å |
| 124 | Q | 82.4 | Confident | 77.1 | Confident | 120 Ų | 120 | 120 Ų | 120 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.1 | -45.2 | 175 | -175.8 | 175.3 | -22.5 | 0 | 0 | 111.3 | A120 E121 K127 E128 | A120-Q124 PolarHBondContact O-N 2.87Å; E121-Q124 PolarHBondContact O-N 3.21Å; Q124-K127 WeakPolarHBondContact O-CB 3.41Å; Q124-K127 PolarHBondContact O-N 2.92Å; Q124-K127 VanDerWaalsContact O-N 3.11Å; Q124-E128 PolarHBondContact NE2-OE1 2.75Å; Q124-E128 PolarHBondContact O-N 3.48Å; Q124-E128 VanDerWaalsContact O-N 3.13Å |
| 125 | K | 85.8 | Confident | 76 | Confident | 141 Ų | 141 | 118.9 Ų | 118.9 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 178.9 | -163.5 | 167.9 | -176.6 | 173.5 | 0 | 112.6 | E121 R122 K127 E128 D129 | E121-K125 PolarHBondContact O-N 3.38Å; R122-K125 PolarHBondContact O-N 3.02Å; K125-K127 PolarHBondContact O-N 3.06Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-E128 VanDerWaalsContact O-N 3.14Å; K125-D129 PolarHBondContact O-N 2.84Å |
| 126 | L | 79.5 | Confident | 75.5 | Confident | 93 Ų | 93 | 116.3 Ų | 116.3 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.5 | -31.9 | 173.8 | -77.5 | 166.4 | 0 | 0 | 0 | 112.9 | R122 T130 | R122-L126 HydrophobicContact CG-CD1 4.39Å; R122-L126 WeakPolarHBondContact O-CG 3.4Å; R122-L126 PolarHBondContact O-N 3.02Å; L126-T130 WeakPolarHBondContact O-CB 3.07Å; L126-T130 WeakPolarHBondContact O-CG2 3.44Å; L126-T130 PolarHBondContact O-N 3.34Å; L126-T130 VanDerWaalsContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 3.08Å |
| 127 | K | 75.7 | Confident | 75.6 | Confident | 160 Ų | 160 | 116.6 Ų | 116.6 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -75.3 | -27.1 | 178.5 | -161.6 | 176.5 | -177.3 | -178.5 | 0 | 112.9 | L123 Q124 K125 T130 | L123-K127 WeakPolarHBondContact O-CB 3.2Å; L123-K127 PolarHBondContact O-N 3.23Å; L123-K127 VanDerWaalsContact O-N 3.16Å; Q124-K127 WeakPolarHBondContact O-CB 3.41Å; Q124-K127 PolarHBondContact O-N 2.92Å; Q124-K127 VanDerWaalsContact O-N 3.11Å; K125-K127 PolarHBondContact O-N 3.06Å; K127-T130 WeakPolarHBondContact CA-OG1 3.34Å |
| 128 | E | 74.9 | Confident | 75.5 | Confident | 122 Ų | 122 | 118.9 Ų | 118.9 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.1 | -40.7 | 173 | -69.2 | 172 | -169.1 | 0 | 0 | 110.8 | Q124 K125 K131 | Q124-E128 PolarHBondContact NE2-OE1 2.75Å; Q124-E128 PolarHBondContact O-N 3.48Å; Q124-E128 VanDerWaalsContact O-N 3.13Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-E128 VanDerWaalsContact O-N 3.14Å; E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3.49Å |
| 129 | D | 69.4 | Low | 75.4 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.6 | -27.4 | 179.7 | -69.5 | -27.6 | 0 | 0 | 0 | 114.1 | K125 | K125-D129 PolarHBondContact O-N 2.84Å |
| 130 | T | 64.5 | Low | 75.6 | Confident | 107 Ų | 107 | 124.5 Ų | 124.5 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -2.2 | 177.1 | 48.4 | 0 | 0 | 0 | 0 | 114 | L126 K127 P132 | L126-T130 WeakPolarHBondContact O-CB 3.07Å; L126-T130 WeakPolarHBondContact O-CG2 3.44Å; L126-T130 PolarHBondContact O-N 3.34Å; L126-T130 VanDerWaalsContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 3.08Å; K127-T130 WeakPolarHBondContact CA-OG1 3.34Å; T130-P132 WeakPolarHBondContact O-CD 3.43Å |
| 131 | K | 66.5 | Low | 75.6 | Confident | 158 Ų | 158 | 126 Ų | 126 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -69.6 | 122.2 | 172.4 | -162.1 | 173.6 | -175.9 | -174.9 | 0 | 108.1 | E128 K133 | E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3.49Å; K131-K133 PolarHBondContact O-N 3.31Å |
| 132 | P | 57.7 | Low | 75.4 | Confident | 115 Ų | 115 | 124.6 Ų | 124.6 | 75% | 0.747 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129 | 178.3 | 21.4 | -30.8 | 0 | 0 | 0 | 108.5 | T130 S134 | T130-P132 WeakPolarHBondContact O-CD 3.43Å; P132-S134 PolarHBondContact O-N 2.95Å; P132-S134 VanDerWaalsContact O-N 3.17Å |
| 133 | K | 61.8 | Low | 75.3 | Confident | 185 Ų | 185 | 119.4 Ų | 119.4 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -50 | 126.8 | 175.7 | -78.1 | 80.6 | 177.9 | 175.6 | 0 | 106.9 | K131 I135 | K131-K133 PolarHBondContact O-N 3.31Å; K133-I135 PolarHBondContact O-N 3.03Å |
| 134 | S | 67.3 | Low | 75.3 | Confident | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 134.8 | -179.2 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | P132 | P132-S134 PolarHBondContact O-N 2.95Å; P132-S134 VanDerWaalsContact O-N 3.17Å |
| 135 | I | 61.6 | Low | 75.1 | Confident | 152 Ų | 152 | 120.9 Ų | 120.9 | 78% | 0.779 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 126.4 | 172.6 | -58.2 | 168.3 | 0 | 0 | 0 | 107.3 | K133 S137 | K133-I135 PolarHBondContact O-N 3.03Å; I135-S137 PolarHBondContact O-N 2.87Å |
| 136 | P | 70.4 | Confident | 74.9 | Confident | 66 Ų | 66 | 116.8 Ų | 116.8 | 43% | 0.429 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -50 | 141.1 | 177.4 | -28.5 | 35.7 | 0 | 0 | 0 | 111 | I141 | P136-I141 HydrophobicContact CB-CG1 4.21Š|
| 137 | S | 77.8 | Confident | 74.9 | Confident | 77 Ų | 77 | 115.9 Ų | 115.9 | 54% | 0.538 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 146 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | I135 K139 E140 I141 | I135-S137 PolarHBondContact O-N 2.87Å; S137-K139 PolarHBondContact O-N 2.98Å; S137-K139 VanDerWaalsContact O-N 3.07Å; S137-E140 WeakPolarHBondContact O-CA 3.44Å; S137-E140 WeakPolarHBondContact O-CB 3.3Å; S137-E140 PolarHBondContact O-N 2.82Å; S137-I141 PolarHBondContact O-N 2.93Å; S137-I141 VanDerWaalsContact O-N 3.09Å |
| 138 | E | 81.8 | Confident | 74.6 | Confident | 148 Ų | 148 | 115.2 Ų | 115.2 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -49.7 | -37.8 | 177.1 | -169.1 | 166.7 | -161.6 | 0 | 0 | 111.6 | E140 I141 E142 | E138-E140 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 3.3Å; E138-I141 PolarHBondContact O-N 3.47Å; E138-E142 WeakPolarHBondContact O-CB 3.48Å; E138-E142 VanDerWaalsContact O-CG 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.26Å; E138-E142 PolarHBondContact O-N 2.8Å |
| 139 | K | 84.7 | Confident | 74.3 | Confident | 166 Ų | 166 | 117.6 Ų | 117.6 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -33 | 175.7 | -167.4 | 175.8 | -177.2 | 178 | 0 | 114.3 | S137 S143 | S137-K139 PolarHBondContact O-N 2.98Å; S137-K139 VanDerWaalsContact O-N 3.07Å; K139-S143 WeakPolarHBondContact O-CB 3.16Å; K139-S143 PolarHBondContact O-N 3.32Å; K139-S143 VanDerWaalsContact O-N 3.08Å |
| 140 | E | 86.3 | Confident | 73.9 | Confident | 100 Ų | 100 | 117.1 Ų | 117.1 | 47% | 0.467 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.4 | -38.1 | 177 | -168 | -178 | 165 | 0 | 0 | 110.7 | S137 E138 S143 R144 | S137-E140 WeakPolarHBondContact O-CA 3.44Å; S137-E140 WeakPolarHBondContact O-CB 3.3Å; S137-E140 PolarHBondContact O-N 2.82Å; E138-E140 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 3.3Å; E140-S143 PolarHBondContact O-N 3.37Å; E140-R144 WeakPolarHBondContact O-CG 3.46Å; E140-R144 PolarHBondContact O-N 3.07Å |
| 141 | I | 81.4 | Confident | 73.5 | Confident | 77 Ų | 77 | 116.6 Ų | 116.6 | 40% | 0.395 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.6 | -46.6 | 173.9 | -60.4 | 170.9 | 0 | 0 | 0 | 109.7 | P136 S137 E138 S143 R144 L145 | P136-I141 HydrophobicContact CB-CG1 4.21Å; S137-I141 PolarHBondContact O-N 2.93Å; S137-I141 VanDerWaalsContact O-N 3.09Å; E138-I141 PolarHBondContact O-N 3.47Å; I141-S143 PolarHBondContact O-N 3.2Å; I141-R144 PolarHBondContact O-N 3.44Å; I141-L145 HydrophobicContact CG2-CD1 3.91Å; I141-L145 HydrophobicContact CG2-CG 4.4Å; I141-L145 WeakPolarHBondContact O-CB 3.18Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.12Å; I141-L145 PolarHBondContact O-N 2.93Å |
| 142 | E | 83.5 | Confident | 73.3 | Confident | 113 Ų | 113 | 115 Ų | 115 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.1 | -43.4 | 175.2 | -75.1 | 174.3 | 174.7 | 0 | 0 | 112.3 | E138 R144 L145 A146 | E138-E142 WeakPolarHBondContact O-CB 3.48Å; E138-E142 VanDerWaalsContact O-CG 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.26Å; E138-E142 PolarHBondContact O-N 2.8Å; E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 3.11Å; E142-L145 PolarHBondContact O-N 3.49Å; E142-A146 WeakPolarHBondContact O-CB 3.41Å; E142-A146 PolarHBondContact O-N 2.95Å |
| 143 | S | 85.3 | Confident | 73.4 | Confident | 80 Ų | 80 | 117 Ų | 117 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.3 | -38.2 | 177.5 | -171 | 0 | 0 | 0 | 0 | 112.3 | K139 E140 I141 A147 | K139-S143 WeakPolarHBondContact O-CB 3.16Å; K139-S143 PolarHBondContact O-N 3.32Å; K139-S143 VanDerWaalsContact O-N 3.08Å; E140-S143 PolarHBondContact O-N 3.37Å; I141-S143 PolarHBondContact O-N 3.2Å; S143-A147 PolarHBondContact O-N 3.15Å; S143-A147 VanDerWaalsContact O-N 3.13Å |
| 144 | R | 82.5 | Confident | 73.6 | Confident | 169 Ų | 169 | 113.9 Ų | 113.9 | 64% | 0.638 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.1 | -39.5 | 177.1 | -70.5 | 174.5 | 71.8 | 141 | 2.8 | 111.7 | E140 I141 E142 A147 L148 | E140-R144 WeakPolarHBondContact O-CG 3.46Å; E140-R144 PolarHBondContact O-N 3.07Å; I141-R144 PolarHBondContact O-N 3.44Å; E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 3.11Å; R144-A147 PolarHBondContact O-N 2.9Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.89Å; R144-L148 VanDerWaalsContact O-N 3.16Å |
| 145 | L | 79.4 | Confident | 73.5 | Confident | 91 Ų | 91 | 114.7 Ų | 114.7 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67 | -36.7 | 175.4 | -70.4 | 171.9 | 0 | 0 | 0 | 112 | I141 E142 L148 K149 | I141-L145 HydrophobicContact CG2-CD1 3.91Å; I141-L145 HydrophobicContact CG2-CG 4.4Å; I141-L145 WeakPolarHBondContact O-CB 3.18Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.12Å; I141-L145 PolarHBondContact O-N 2.93Å; E142-L145 PolarHBondContact O-N 3.49Å; L145-L148 PolarHBondContact O-N 2.94Å; L145-K149 WeakPolarHBondContact O-CG 3.4Å; L145-K149 PolarHBondContact O-N 3.3Å |
| 146 | A | 80.6 | Confident | 73.8 | Confident | 55 Ų | 55 | 110.9 Ų | 110.9 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.4 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E142 L148 K149 T150 | E142-A146 WeakPolarHBondContact O-CB 3.41Å; E142-A146 PolarHBondContact O-N 2.95Å; A146-L148 VanDerWaalsContact C-N 3.29Å; A146-L148 PolarHBondContact O-N 3.14Å; A146-K149 PolarHBondContact O-N 3.04Å; A146-T150 PolarHBondContact O-OG1 2.99Å; A146-T150 VanDerWaalsContact O-OG1 3.12Å |
| 147 | A | 79.7 | Confident | 74.1 | Confident | 73 Ų | 73 | 110.5 Ų | 110.5 | 60% | 0.603 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.3 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S143 R144 | S143-A147 PolarHBondContact O-N 3.15Å; S143-A147 VanDerWaalsContact O-N 3.13Å; R144-A147 PolarHBondContact O-N 2.9Å |
| 148 | L | 70.2 | Confident | 74 | Confident | 146 Ų | 146 | 110.3 Ų | 110.3 | 76% | 0.764 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.1 | -26.2 | 177.6 | -71.1 | 167.3 | 0 | 0 | 0 | 113.8 | R144 L145 A146 T150 | R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.89Å; R144-L148 VanDerWaalsContact O-N 3.16Å; L145-L148 PolarHBondContact O-N 2.94Å; A146-L148 VanDerWaalsContact C-N 3.29Å; A146-L148 PolarHBondContact O-N 3.14Å; L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 2.8Å |
| 149 | K | 67.9 | Low | 73.9 | Confident | 173 Ų | 173 | 108.5 Ų | 108.5 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -6.9 | 177.4 | -80 | 179.1 | 178.9 | -177.1 | 0 | 114 | L145 A146 P151 | L145-K149 WeakPolarHBondContact O-CG 3.4Å; L145-K149 PolarHBondContact O-N 3.3Å; A146-K149 PolarHBondContact O-N 3.04Å; K149-P151 VanDerWaalsContact O-CD 3.3Å; K149-P151 WeakPolarHBondContact O-CD 3.41Å |
| 150 | T | 61.4 | Low | 73.8 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -91.4 | 107.3 | 176.5 | -43.7 | 0 | 0 | 0 | 0 | 107.6 | A146 L148 S152 | A146-T150 PolarHBondContact O-OG1 2.99Å; A146-T150 VanDerWaalsContact O-OG1 3.12Å; L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 2.8Å; T150-S152 PolarHBondContact O-N 3.03Å; T150-S152 VanDerWaalsContact O-N 3.12Å |
| 151 | P | 56.4 | Low | 73.5 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 62% | 0.623 | 59% | 0.593 | S | S | * | * | trans | -62.9 | 119.5 | 178.2 | -15 | 29.9 | 0 | 0 | 0 | 108 | K149 Q153 | K149-P151 VanDerWaalsContact O-CD 3.3Å; K149-P151 WeakPolarHBondContact O-CD 3.41Å; P151-Q153 WeakPolarHBondContact CB-O 3.44Å; P151-Q153 PolarHBondContact O-N 3.42Å; P151-Q153 VanDerWaalsContact O-N 3.09Å | ||
| 152 | S | 61.3 | Low | 73.6 | Confident | 125 Ų | 125 | 106.5 Ų | 106.5 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -66.6 | -6.7 | -180 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | T150 | T150-S152 PolarHBondContact O-N 3.03Å; T150-S152 VanDerWaalsContact O-N 3.12Å |
| 153 | Q | 61.2 | Low | 73.6 | Confident | 156 Ų | 156 | 102.8 Ų | 102.8 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -142.2 | 141.6 | 167.2 | -69.9 | -171.9 | -31.3 | 0 | 0 | 110 | P151 V155 | P151-Q153 WeakPolarHBondContact CB-O 3.44Å; P151-Q153 PolarHBondContact O-N 3.42Å; P151-Q153 VanDerWaalsContact O-N 3.09Å; Q153-V155 PolarHBondContact O-N 3.39Å |
| 154 | P | 66 | Low | 73.4 | Confident | 119 Ų | 119 | 108 Ų | 108 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.8 | 168.3 | 25.5 | -31 | 0 | 0 | 0 | 108.5 | P156 | P154-P156 WeakPolarHBondContact O-CD 3.16Š|
| 155 | V | 63.5 | Low | 73.4 | Confident | 127 Ų | 127 | 104.6 Ų | 104.6 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 122.3 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 106.8 | Q153 S157 | Q153-V155 PolarHBondContact O-N 3.39Å; V155-S157 PolarHBondContact O-N 3.29Å |
| 156 | P | 68.6 | Low | 73.5 | Confident | 71 Ų | 71 | 100.8 Ų | 100.8 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 139.8 | 179.3 | -26.2 | 35 | 0 | 0 | 0 | 110.8 | P154 D160 M161 | P154-P156 WeakPolarHBondContact O-CD 3.16Å; P156-D160 HydrophobicContact CB-CB 4.14Å; P156-M161 HydrophobicContact CB-CG 4.42Å |
| 157 | S | 76.6 | Confident | 73.7 | Confident | 59 Ų | 59 | 101.5 Ų | 101.5 | 41% | 0.413 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 156.8 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | V155 E159 D160 M161 | V155-S157 PolarHBondContact O-N 3.29Å; S157-E159 PolarHBondContact O-N 2.9Å; S157-D160 PolarHBondContact N-OD2 3.35Å; S157-D160 VanDerWaalsContact N-OD2 3.17Å; S157-D160 WeakPolarHBondContact O-CB 3.27Å; S157-D160 PolarHBondContact O-N 3.03Å; S157-M161 PolarHBondContact O-N 2.89Å; S157-M161 VanDerWaalsContact O-N 3.12Å |
| 158 | S | 76.4 | Confident | 73.7 | Confident | 73 Ų | 73 | 104.7 Ų | 104.7 | 51% | 0.51 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -54.6 | -36.3 | 173.1 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | M161 E162 | S158-M161 WeakPolarHBondContact O-CB 3.47Å; S158-M161 PolarHBondContact O-N 3.44Å; S158-E162 WeakPolarHBondContact O-CG 3.38Å; S158-E162 PolarHBondContact O-N 2.92Å |
| 159 | E | 79.6 | Confident | 74 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 177.1 | -166.1 | 164.3 | -159.9 | 0 | 0 | 112.4 | S157 M161 E162 D163 | S157-E159 PolarHBondContact O-N 2.9Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.88Å; E159-E162 PolarHBondContact O-N 3.45Å; E159-D163 WeakPolarHBondContact O-CB 3.26Å; E159-D163 PolarHBondContact O-N 2.75Å |
| 160 | D | 82.4 | Confident | 74.4 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -34.6 | 174.9 | -65.8 | -40 | 0 | 0 | 0 | 111.6 | P156 S157 R164 | P156-D160 HydrophobicContact CB-CB 4.14Å; S157-D160 PolarHBondContact N-OD2 3.35Å; S157-D160 VanDerWaalsContact N-OD2 3.17Å; S157-D160 WeakPolarHBondContact O-CB 3.27Å; S157-D160 PolarHBondContact O-N 3.03Å; D160-R164 VanDerWaalsContact O-CB 3.27Å; D160-R164 WeakPolarHBondContact O-CB 3.23Å; D160-R164 PolarHBondContact O-N 3.11Å; D160-R164 VanDerWaalsContact O-N 3.1Å |
| 161 | M | 80.1 | Confident | 75.1 | Confident | 100 Ų | 100 | 103.6 Ų | 103.6 | 49% | 0.493 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.5 | -41.5 | 177.2 | -65.9 | -168.9 | -74.3 | 0 | 0 | 111.4 | P156 S157 S158 E159 R164 L165 | P156-M161 HydrophobicContact CB-CG 4.42Å; S157-M161 PolarHBondContact O-N 2.89Å; S157-M161 VanDerWaalsContact O-N 3.12Å; S158-M161 WeakPolarHBondContact O-CB 3.47Å; S158-M161 PolarHBondContact O-N 3.44Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.88Å; M161-R164 PolarHBondContact O-N 3.43Å; M161-L165 WeakPolarHBondContact O-CB 3.5Å; M161-L165 WeakPolarHBondContact O-CG 3.35Å; M161-L165 PolarHBondContact O-N 3.38Å |
| 162 | E | 83.3 | Confident | 76 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.1 | -46.9 | 175.4 | -74.6 | 171.7 | -158.4 | 0 | 0 | 112 | S158 E159 R164 L165 A166 P174 | S158-E162 WeakPolarHBondContact O-CG 3.38Å; S158-E162 PolarHBondContact O-N 2.92Å; E159-E162 PolarHBondContact O-N 3.45Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.46Å; E162-L165 PolarHBondContact O-N 3.33Å; E162-A166 WeakPolarHBondContact O-CB 3.09Å; E162-A166 PolarHBondContact O-N 3.35Å; E162-P174 HydrophobicContact CB-CG 4.47Å |
| 163 | D | 82.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 99 Ų | 99 | 19% | 0.187 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 177.2 | -83.5 | -0 | 0 | 0 | 0 | 111.4 | E159 A166 A167 P173 P174 S175 | E159-D163 WeakPolarHBondContact O-CB 3.26Å; E159-D163 PolarHBondContact O-N 2.75Å; D163-A166 PolarHBondContact O-N 3.18Å; D163-A167 WeakPolarHBondContact O-CB 3.26Å; D163-A167 PolarHBondContact O-N 2.95Å; D163-P173 HydrophobicContact CB-CB 4.01Å; D163-P173 VanDerWaalsContact CG-CB 3.46Å; D163-P173 WeakPolarHBondContact OD1-CB 3.4Å; D163-P174 WeakPolarHBondContact OD1-CD 3.38Å; D163-P174 WeakPolarHBondContact OD1-CG 3.39Å; D163-S175 PolarHBondContact OD1-OG 3.1Å; D163-S175 WeakPolarHBondContact OD2-CB 2.92Å; D163-S175 PolarHBondContact OD2-OG 2.67Å |
| 164 | R | 82.1 | Confident | 76.4 | Confident | 188 Ų | 188 | 94.9 Ų | 94.9 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.9 | -38.4 | 176.9 | -168.6 | 172.4 | -178.9 | 176.1 | -1.1 | 112.5 | D160 M161 E162 L168 | D160-R164 VanDerWaalsContact O-CB 3.27Å; D160-R164 WeakPolarHBondContact O-CB 3.23Å; D160-R164 PolarHBondContact O-N 3.11Å; D160-R164 VanDerWaalsContact O-N 3.1Å; M161-R164 PolarHBondContact O-N 3.43Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.46Å; R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 3.28Å; R164-L168 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 82.1 | Confident | 76.3 | Confident | 98 Ų | 98 | 92.2 Ų | 92.2 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 173.9 | -77.5 | 163.1 | 0 | 0 | 0 | 111.6 | M161 E162 L168 R169 | M161-L165 WeakPolarHBondContact O-CB 3.5Å; M161-L165 WeakPolarHBondContact O-CG 3.35Å; M161-L165 PolarHBondContact O-N 3.38Å; E162-L165 PolarHBondContact O-N 3.33Å; L165-L168 PolarHBondContact O-N 3.37Å; L165-R169 WeakPolarHBondContact O-CG 3.2Å; L165-R169 PolarHBondContact O-N 2.78Å |
| 166 | A | 81.3 | Confident | 76.2 | Confident | 12 Ų | 12 | 93.7 Ų | 93.7 | 10% | 0.099 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E162 D163 L168 R169 G170 Q171 | E162-A166 WeakPolarHBondContact O-CB 3.09Å; E162-A166 PolarHBondContact O-N 3.35Å; D163-A166 PolarHBondContact O-N 3.18Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.03Å; A166-R169 CarbonylContact O-C 3.51Å; A166-R169 PolarHBondContact O-N 2.82Å; A166-R169 VanDerWaalsContact O-N 3.1Å; A166-G170 PolarHBondContact O-N 2.99Å; A166-G170 VanDerWaalsContact O-N 3.09Å; A166-Q171 CarbonylContact C-O 3.41Å; A166-Q171 PolarHBondContact O-N 3.36Å |
| 167 | A | 84.1 | Confident | 75.6 | Confident | 69 Ų | 69 | 92.5 Ų | 92.5 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D163 R169 G170 | D163-A167 WeakPolarHBondContact O-CB 3.26Å; D163-A167 PolarHBondContact O-N 2.95Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 3.5Å; A167-G170 PolarHBondContact O-N 2.87Å; A167-G170 VanDerWaalsContact O-N 3.16Å |
| 168 | L | 80.4 | Confident | 74.8 | Confident | 141 Ų | 141 | 95.5 Ų | 95.5 | 74% | 0.738 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -32.3 | 175.3 | -74.4 | 170.1 | 0 | 0 | 0 | 112.8 | R164 L165 A166 G170 | R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 3.28Å; R164-L168 VanDerWaalsContact O-N 3.14Å; L165-L168 PolarHBondContact O-N 3.37Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.03Å; L168-G170 PolarHBondContact O-N 3.21Å |
| 169 | R | 76.9 | Confident | 73.9 | Confident | 197 Ų | 197 | 102.9 Ų | 102.9 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.1 | 174.6 | -68.6 | -178.1 | -179.7 | -151.9 | 0.9 | 113.3 | L165 A166 A167 Q171 | L165-R169 WeakPolarHBondContact O-CG 3.2Å; L165-R169 PolarHBondContact O-N 2.78Å; A166-R169 CarbonylContact O-C 3.51Å; A166-R169 PolarHBondContact O-N 2.82Å; A166-R169 VanDerWaalsContact O-N 3.1Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 3.5Å; R169-Q171 HydrophobicContact CB-CG 4.5Å; R169-Q171 PolarHBondContact O-N 2.9Å |
| 170 | G | 76.6 | Confident | 73 | Confident | 69 Ų | 69 | 103.3 Ų | 103.3 | 71% | 0.711 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.6 | 18 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A166 A167 L168 | A166-G170 PolarHBondContact O-N 2.99Å; A166-G170 VanDerWaalsContact O-N 3.09Å; A167-G170 PolarHBondContact O-N 2.87Å; A167-G170 VanDerWaalsContact O-N 3.16Å; L168-G170 PolarHBondContact O-N 3.21Å |
| 171 | Q | 74.8 | Confident | 71.9 | Confident | 130 Ų | 130 | 105.7 Ų | 105.7 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 149.6 | 177.2 | -66.9 | -165 | -4.1 | 0 | 0 | 110.6 | A166 R169 | A166-Q171 CarbonylContact C-O 3.41Å; A166-Q171 PolarHBondContact O-N 3.36Å; R169-Q171 HydrophobicContact CB-CG 4.5Å; R169-Q171 PolarHBondContact O-N 2.9Å |
| 172 | P | 75 | Confident | 71 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139.4 | 174.3 | 27.3 | -32.8 | 0 | 0 | 0 | 109.9 | ||
| 173 | P | 68.7 | Low | 70.1 | Confident | 28 Ų | 28 | 111.3 Ų | 111.3 | 18% | 0.182 | 60% | 0.596 | C | S | . | * | P | Polyproline II helix | trans | -59.2 | 137.8 | -179.3 | 20.7 | -29.7 | 0 | 0 | 0 | 110.7 | D163 S175 Q176 A177 | D163-P173 HydrophobicContact CB-CB 4.01Å; D163-P173 VanDerWaalsContact CG-CB 3.46Å; D163-P173 WeakPolarHBondContact OD1-CB 3.4Å; P173-S175 PolarHBondContact O-N 2.92Å; P173-S175 VanDerWaalsContact O-N 3.08Å; P173-Q176 HydrophobicContact CG-CB 4.26Å; P173-Q176 HydrophobicContact CG-CG 4.03Å; P173-Q176 PolarHBondContact O-N 3.33Å; P173-A177 PolarHBondContact O-N 3.28Å |
| 174 | P | 63.7 | Low | 69.1 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56 | -25 | 179.3 | 21.2 | -33.8 | 0 | 0 | 0 | 113.1 | E162 D163 Q176 | E162-P174 HydrophobicContact CB-CG 4.47Å; D163-P174 WeakPolarHBondContact OD1-CD 3.38Å; D163-P174 WeakPolarHBondContact OD1-CG 3.39Å; P174-Q176 PolarHBondContact O-N 3.32Å |
| 175 | S | 62.8 | Low | 68.6 | Low | 63 Ų | 63 | 110.7 Ų | 110.7 | 44% | 0.441 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -19.4 | 172.8 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | D163 P173 | D163-S175 PolarHBondContact OD1-OG 3.1Å; D163-S175 WeakPolarHBondContact OD2-CB 2.92Å; D163-S175 PolarHBondContact OD2-OG 2.67Å; P173-S175 PolarHBondContact O-N 2.92Å; P173-S175 VanDerWaalsContact O-N 3.08Å |
| 176 | Q | 61.5 | Low | 68.1 | Low | 157 Ų | 157 | 109.4 Ų | 109.4 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -6.6 | -176.4 | -62.2 | -175.9 | 26.7 | 0 | 0 | 114.5 | P173 P174 | P173-Q176 HydrophobicContact CG-CB 4.26Å; P173-Q176 HydrophobicContact CG-CG 4.03Å; P173-Q176 PolarHBondContact O-N 3.33Å; P174-Q176 PolarHBondContact O-N 3.32Å |
| 177 | A | 57.1 | Low | 68.1 | Low | 47 Ų | 47 | 115.4 Ų | 115.4 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -86.5 | 134.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P173 R179 | P173-A177 PolarHBondContact O-N 3.28Å; A177-R179 PolarHBondContact O-N 3.44Å; A177-R179 VanDerWaalsContact O-N 3.17Å |
| 178 | P | 59.3 | Low | 67.9 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 121.9 | 169.6 | -17.8 | 29.2 | 0 | 0 | 0 | 109.4 | P180 | P178-P180 VanDerWaalsContact O-CD 3.28Å; P178-P180 WeakPolarHBondContact O-CD 3.45Å |
| 179 | R | 58.3 | Low | 68.3 | Low | 228 Ų | 228 | 113.8 Ų | 113.8 | 86% | 0.86 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120.4 | 178.9 | -66.7 | -174.3 | -178 | -131.9 | -1.7 | 109.3 | A177 V181 | A177-R179 PolarHBondContact O-N 3.44Å; A177-R179 VanDerWaalsContact O-N 3.17Å; R179-V181 PolarHBondContact O-N 3.5Å |
| 180 | P | 58.8 | Low | 68.8 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 77% | 0.766 | 63% | 0.629 | S | S | * | * | trans | -66.4 | 110.6 | 170.8 | -13.9 | 28.4 | 0 | 0 | 0 | 107.8 | P178 H182 | P178-P180 VanDerWaalsContact O-CD 3.28Å; P178-P180 WeakPolarHBondContact O-CD 3.45Å; P180-H182 PolarHBondContact O-N 2.88Å | ||
| 181 | V | 60.8 | Low | 69.5 | Low | 146 Ų | 146 | 114 Ų | 114 | 89% | 0.885 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -72.7 | -5.2 | -176.4 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | R179 | R179-V181 PolarHBondContact O-N 3.5Š|
| 182 | H | 60.1 | Low | 70.3 | Confident | 141 Ų | 141 | 112.5 Ų | 112.5 | 65% | 0.653 | 62% | 0.616 | S | S | * | * | trans | -132.7 | 108.6 | -176.9 | -164.7 | -66 | 0 | 0 | 0 | 111.6 | P180 | P180-H182 PolarHBondContact O-N 2.88Š| ||
| 183 | Q | 65.3 | Low | 70.9 | Confident | 183 Ų | 183 | 112 Ų | 112 | 86% | 0.855 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -83 | 122.5 | 159.8 | -81.7 | 177.2 | -12.8 | 0 | 0 | 108.1 | ||
| 184 | P | 62 | Low | 72 | Confident | 105 Ų | 105 | 113 Ų | 113 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.7 | 174.3 | 24.8 | -31.6 | 0 | 0 | 0 | 109.8 | D186 | P184-D186 PolarHBondContact O-N 2.8Š|
| 185 | P | 70.8 | Confident | 73.4 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.7 | 175.8 | -23.4 | 32.4 | 0 | 0 | 0 | 110.3 | T187 | P185-T187 PolarHBondContact O-N 3.11Š|
| 186 | D | 71.6 | Confident | 74.8 | Confident | 71 Ų | 71 | 114.6 Ų | 114.6 | 38% | 0.38 | 61% | 0.614 | S | S | . | * | trans | -61.9 | 105.3 | -179.5 | -170.5 | -13.1 | 0 | 0 | 0 | 110.1 | P184 R188 K193 | P184-D186 PolarHBondContact O-N 2.8Å; D186-R188 PolarHBondContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD1-CB 3.47Å; D186-R188 VanDerWaalsContact OD1-CG 3.23Å; D186-R188 WeakPolarHBondContact OD1-CG 3.4Å; D186-R188 IonicContact OD1-CZ 3.86Å; D186-R188 PolarHBondContact OD1-N 3.41Å; D186-R188 IonicContact OD1-NE 2.92Å; D186-R188 PolarHBondContact OD1-NE 2.69Å; D186-R188 IonicContact OD1-NH2 3.92Å; D186-R188 IonicContact OD2-CZ 3.46Å; D186-R188 IonicContact OD2-NE 3.25Å; D186-R188 PolarHBondContact OD2-NE 3.41Å; D186-R188 IonicContact OD2-NH2 2.82Å; D186-R188 PolarHBondContact OD2-NH2 2.91Å; D186-K193 WeakPolarHBondContact OD2-CE 3.41Å; D186-K193 IonicContact OD2-NZ 3.98Å | ||
| 187 | T | 81.1 | Confident | 76.4 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 85% | 0.847 | 60% | 0.603 | S | S | * | * | trans | -77 | -3.3 | -178.6 | 57.4 | 0 | 0 | 0 | 0 | 113 | P185 | P185-T187 PolarHBondContact O-N 3.11Š| ||
| 188 | R | 81.2 | Confident | 78.2 | Confident | 98 Ų | 98 | 114.4 Ų | 114.4 | 37% | 0.37 | 61% | 0.61 | S | S | . | * | trans | -70.2 | 137.5 | -179.6 | -62.9 | 177.6 | -66.7 | 171.6 | 6.1 | 110.7 | D186 E192 K193 D196 | D186-R188 PolarHBondContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD1-CB 3.47Å; D186-R188 VanDerWaalsContact OD1-CG 3.23Å; D186-R188 WeakPolarHBondContact OD1-CG 3.4Å; D186-R188 IonicContact OD1-CZ 3.86Å; D186-R188 PolarHBondContact OD1-N 3.41Å; D186-R188 IonicContact OD1-NE 2.92Å; D186-R188 PolarHBondContact OD1-NE 2.69Å; D186-R188 IonicContact OD1-NH2 3.92Å; D186-R188 IonicContact OD2-CZ 3.46Å; D186-R188 IonicContact OD2-NE 3.25Å; D186-R188 PolarHBondContact OD2-NE 3.41Å; D186-R188 IonicContact OD2-NH2 2.82Å; D186-R188 PolarHBondContact OD2-NH2 2.91Å; R188-E192 WeakPolarHBondContact CA-OE2 3.38Å; R188-E192 HydrophobicContact CB-CB 3.99Å; R188-K193 HydrophobicContact CB-CG 4.09Å; R188-K193 WeakPolarHBondContact O-CE 3.44Å; R188-K193 PolarHBondContact O-NZ 3.09Å; R188-D196 IonicContact CZ-OD2 3.68Å; R188-D196 IonicContact NH1-OD1 3.46Å; R188-D196 PolarHBondContact NH1-OD1 3.45Å; R188-D196 IonicContact NH1-OD2 2.71Å; R188-D196 PolarHBondContact NH1-OD2 3.43Å; R188-D196 IonicContact NH2-OD2 3.86Å | ||
| 189 | T | 87.5 | Confident | 79.8 | Confident | 79 Ų | 79 | 112 Ų | 112 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | trans | -63.3 | 159.5 | 172.7 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | T191 E192 K193 | T189-T191 PolarHBondContact O-N 3.1Å; T189-E192 WeakPolarHBondContact CB-OE2 3.41Å; T189-E192 PolarHBondContact N-OE2 3.47Å; T189-E192 PolarHBondContact O-N 3.36Å; T189-E192 VanDerWaalsContact O-N 3.12Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.43Å; T189-E192 PolarHBondContact OG1-N 3.06Å; T189-E192 PolarHBondContact OG1-OE2 3.25Å; T189-K193 WeakPolarHBondContact O-CG 3.41Å; T189-K193 PolarHBondContact O-N 2.96Å | ||
| 190 | Q | 88.8 | Confident | 81.5 | Confident | 174 Ų | 174 | 106.6 Ų | 106.6 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.7 | -35.7 | 179.4 | -170.6 | 178 | 10.1 | 0 | 0 | 112.3 | K193 A194 | Q190-K193 PolarHBondContact O-N 3.29Å; Q190-A194 PolarHBondContact O-N 3.26Å |
| 191 | T | 89.8 | Confident | 83.1 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -42.4 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | T189 K193 A194 N195 | T189-T191 PolarHBondContact O-N 3.1Å; T191-K193 VanDerWaalsContact C-N 3.32Å; T191-K193 PolarHBondContact O-N 2.83Å; T191-A194 PolarHBondContact O-N 3.06Å; T191-N195 WeakPolarHBondContact O-CB 3.22Å; T191-N195 PolarHBondContact O-N 3.27Å; T191-N195 PolarHBondContact O-ND2 3.2Å; T191-N195 VanDerWaalsContact O-ND2 3.14Å |
| 192 | E | 91.3 | Very high | 84.6 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 46% | 0.458 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.6 | -73.1 | 164 | 148.5 | 0 | 0 | 111.3 | R188 T189 N195 D196 | R188-E192 WeakPolarHBondContact CA-OE2 3.38Å; R188-E192 HydrophobicContact CB-CB 3.99Å; T189-E192 WeakPolarHBondContact CB-OE2 3.41Å; T189-E192 PolarHBondContact N-OE2 3.47Å; T189-E192 PolarHBondContact O-N 3.36Å; T189-E192 VanDerWaalsContact O-N 3.12Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.43Å; T189-E192 PolarHBondContact OG1-N 3.06Å; T189-E192 PolarHBondContact OG1-OE2 3.25Å; E192-N195 PolarHBondContact O-N 3.47Å; E192-D196 VanDerWaalsContact O-CB 3.27Å; E192-D196 WeakPolarHBondContact O-CB 3.27Å; E192-D196 PolarHBondContact O-N 3.36Å |
| 193 | K | 89.1 | Confident | 86.1 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 38% | 0.378 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 173.7 | -70.1 | 173 | 178.2 | 168.8 | 0 | 112.3 | D186 R188 T189 Q190 T191 L197 | D186-K193 WeakPolarHBondContact OD2-CE 3.41Å; D186-K193 IonicContact OD2-NZ 3.98Å; R188-K193 HydrophobicContact CB-CG 4.09Å; R188-K193 WeakPolarHBondContact O-CE 3.44Å; R188-K193 PolarHBondContact O-NZ 3.09Å; T189-K193 WeakPolarHBondContact O-CG 3.41Å; T189-K193 PolarHBondContact O-N 2.96Å; Q190-K193 PolarHBondContact O-N 3.29Å; T191-K193 VanDerWaalsContact C-N 3.32Å; T191-K193 PolarHBondContact O-N 2.83Å; K193-L197 WeakPolarHBondContact O-CB 3.47Å; K193-L197 PolarHBondContact O-N 3.02Å |
| 194 | A | 91.3 | Very high | 87.1 | Confident | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q190 T191 L197 I198 | Q190-A194 PolarHBondContact O-N 3.26Å; T191-A194 PolarHBondContact O-N 3.06Å; A194-L197 PolarHBondContact O-N 2.99Å; A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 3.3Å |
| 195 | N | 92.4 | Very high | 88.4 | Confident | 88 Ų | 88 | 97.1 Ų | 97.1 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 177.6 | -72.5 | -38.1 | 0 | 0 | 0 | 112.5 | T191 E192 I198 T199 | T191-N195 WeakPolarHBondContact O-CB 3.22Å; T191-N195 PolarHBondContact O-N 3.27Å; T191-N195 PolarHBondContact O-ND2 3.2Å; T191-N195 VanDerWaalsContact O-ND2 3.14Å; E192-N195 PolarHBondContact O-N 3.47Å; N195-I198 PolarHBondContact O-N 3.23Å; N195-T199 WeakPolarHBondContact O-CB 3.48Å; N195-T199 PolarHBondContact O-N 3.28Å; N195-T199 PolarHBondContact O-OG1 3.44Å |
| 196 | D | 93.3 | Very high | 89.2 | Confident | 79 Ų | 79 | 94 Ų | 94 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.1 | -168.3 | 67.1 | 0 | 0 | 0 | 111 | R188 E192 T199 Q200 | R188-D196 IonicContact CZ-OD2 3.68Å; R188-D196 IonicContact NH1-OD1 3.46Å; R188-D196 PolarHBondContact NH1-OD1 3.45Å; R188-D196 IonicContact NH1-OD2 2.71Å; R188-D196 PolarHBondContact NH1-OD2 3.43Å; R188-D196 IonicContact NH2-OD2 3.86Å; E192-D196 VanDerWaalsContact O-CB 3.27Å; E192-D196 WeakPolarHBondContact O-CB 3.27Å; E192-D196 PolarHBondContact O-N 3.36Å; D196-T199 WeakPolarHBondContact O-CB 3.11Å; D196-T199 PolarHBondContact O-N 2.9Å; D196-Q200 PolarHBondContact O-N 3.03Å |
| 197 | L | 93.9 | Very high | 89.6 | Confident | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.2 | -176.5 | 63.3 | 0 | 0 | 0 | 112.3 | K193 A194 T199 Q200 M201 | K193-L197 WeakPolarHBondContact O-CB 3.47Å; K193-L197 PolarHBondContact O-N 3.02Å; A194-L197 PolarHBondContact O-N 2.99Å; L197-T199 VanDerWaalsContact C-N 3.26Å; L197-T199 PolarHBondContact O-N 2.8Å; L197-Q200 PolarHBondContact O-N 3.11Å; L197-M201 HydrophobicContact CG-SD 4.45Å; L197-M201 WeakPolarHBondContact O-CG 3.36Å; L197-M201 PolarHBondContact O-N 2.92Å |
| 198 | I | 94.6 | Very high | 89.5 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 54% | 0.544 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 175.1 | -68.5 | 163 | 0 | 0 | 0 | 110.3 | A194 N195 M201 A202 | A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 3.3Å; N195-I198 PolarHBondContact O-N 3.23Å; I198-M201 PolarHBondContact O-N 3.41Å; I198-A202 WeakPolarHBondContact O-CB 3.5Å; I198-A202 PolarHBondContact O-N 3.25Å |
| 199 | T | 93.8 | Very high | 89.3 | Confident | 70 Ų | 70 | 93.3 Ų | 93.3 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 178.2 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | N195 D196 L197 M201 A202 E203 | N195-T199 WeakPolarHBondContact O-CB 3.48Å; N195-T199 PolarHBondContact O-N 3.28Å; N195-T199 PolarHBondContact O-OG1 3.44Å; D196-T199 WeakPolarHBondContact O-CB 3.11Å; D196-T199 PolarHBondContact O-N 2.9Å; L197-T199 VanDerWaalsContact C-N 3.26Å; L197-T199 PolarHBondContact O-N 2.8Å; T199-M201 PolarHBondContact O-N 3.13Å; T199-A202 PolarHBondContact O-N 3.33Å; T199-E203 WeakPolarHBondContact O-CG 3.5Å; T199-E203 PolarHBondContact O-N 3.22Å |
| 200 | Q | 94.3 | Very high | 88.5 | Confident | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 176 | -176 | -174.4 | -20.4 | 0 | 0 | 111.9 | D196 L197 A202 E203 E204 | D196-Q200 PolarHBondContact O-N 3.03Å; L197-Q200 PolarHBondContact O-N 3.11Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 2.97Å; Q200-E203 PolarHBondContact O-N 3.47Å; Q200-E204 PolarHBondContact O-N 3.13Å |
| 201 | M | 91.6 | Very high | 87.1 | Confident | 114 Ų | 114 | 95.2 Ų | 95.2 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 177.2 | -70 | 178 | 68.1 | 0 | 0 | 111.9 | L197 I198 T199 E204 V205 | L197-M201 HydrophobicContact CG-SD 4.45Å; L197-M201 WeakPolarHBondContact O-CG 3.36Å; L197-M201 PolarHBondContact O-N 2.92Å; I198-M201 PolarHBondContact O-N 3.41Å; T199-M201 PolarHBondContact O-N 3.13Å; M201-E204 PolarHBondContact O-N 3.06Å; M201-V205 WeakPolarHBondContact O-CG2 3.34Å; M201-V205 PolarHBondContact O-N 3.16Å; M201-V205 VanDerWaalsContact O-N 3.08Å |
| 202 | A | 92.6 | Very high | 85.4 | Confident | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I198 T199 Q200 A206 | I198-A202 WeakPolarHBondContact O-CB 3.5Å; I198-A202 PolarHBondContact O-N 3.25Å; T199-A202 PolarHBondContact O-N 3.33Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 2.97Å; A202-A206 WeakPolarHBondContact O-CB 3.45Å; A202-A206 PolarHBondContact O-N 3.03Å |
| 203 | E | 91.7 | Very high | 83 | Confident | 121 Ų | 121 | 93.9 Ų | 93.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.9 | -39 | 175.2 | -72.8 | 177.2 | -179.9 | 0 | 0 | 112 | T199 Q200 A206 I207 | T199-E203 WeakPolarHBondContact O-CG 3.5Å; T199-E203 PolarHBondContact O-N 3.22Å; Q200-E203 PolarHBondContact O-N 3.47Å; E203-A206 PolarHBondContact O-N 3.29Å; E203-I207 VanDerWaalsContact O-CG1 3.29Å; E203-I207 WeakPolarHBondContact O-CG1 3.45Å; E203-I207 PolarHBondContact O-N 3.39Å |
| 204 | E | 86.6 | Confident | 80.7 | Confident | 114 Ų | 114 | 95.1 Ų | 95.1 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.1 | -171.2 | 172.4 | 176.5 | 0 | 0 | 111.4 | Q200 M201 A206 I207 D208 | Q200-E204 PolarHBondContact O-N 3.13Å; M201-E204 PolarHBondContact O-N 3.06Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.2Å; E204-I207 PolarHBondContact O-N 3.34Å; E204-I207 VanDerWaalsContact O-N 3.11Å; E204-D208 PolarHBondContact O-N 3.14Å |
| 205 | V | 88.7 | Confident | 78.7 | Confident | 86 Ų | 86 | 101 Ų | 101 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | M201 I207 D208 D209 | M201-V205 WeakPolarHBondContact O-CG2 3.34Å; M201-V205 PolarHBondContact O-N 3.16Å; M201-V205 VanDerWaalsContact O-N 3.08Å; V205-I207 VanDerWaalsContact C-N 3.29Å; V205-I207 PolarHBondContact O-N 2.99Å; V205-D208 PolarHBondContact O-N 3.29Å; V205-D209 WeakPolarHBondContact O-CB 3.5Å; V205-D209 PolarHBondContact O-N 3.46Å |
| 206 | A | 87 | Confident | 76.7 | Confident | 41 Ų | 41 | 104.1 Ų | 104.1 | 34% | 0.339 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.4 | -29.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A202 E203 E204 Q210 | A202-A206 WeakPolarHBondContact O-CB 3.45Å; A202-A206 PolarHBondContact O-N 3.03Å; E203-A206 PolarHBondContact O-N 3.29Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.2Å; A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 WeakPolarHBondContact O-CG 3.43Å; A206-Q210 PolarHBondContact O-N 3.39Å; A206-Q210 PolarHBondContact O-NE2 3.45Å |
| 207 | I | 80.4 | Confident | 74 | Confident | 92 Ų | 92 | 109.6 Ų | 109.6 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.7 | -44.5 | 174.4 | -68 | 162.8 | 0 | 0 | 0 | 110.1 | E203 E204 V205 D209 Q210 Q211 | E203-I207 VanDerWaalsContact O-CG1 3.29Å; E203-I207 WeakPolarHBondContact O-CG1 3.45Å; E203-I207 PolarHBondContact O-N 3.39Å; E204-I207 PolarHBondContact O-N 3.34Å; E204-I207 VanDerWaalsContact O-N 3.11Å; V205-I207 VanDerWaalsContact C-N 3.29Å; V205-I207 PolarHBondContact O-N 2.99Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.88Å; I207-Q210 PolarHBondContact O-N 3.13Å; I207-Q211 WeakPolarHBondContact O-CG 3.37Å; I207-Q211 PolarHBondContact O-N 3Å |
| 208 | D | 78.9 | Confident | 71.9 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -42.1 | 177.7 | -76.5 | -4.5 | 0 | 0 | 0 | 111.4 | E204 V205 Q210 Q211 S212 | E204-D208 PolarHBondContact O-N 3.14Å; V205-D208 PolarHBondContact O-N 3.29Å; D208-Q210 PolarHBondContact O-N 3.14Å; D208-Q211 PolarHBondContact O-N 2.95Å; D208-Q211 VanDerWaalsContact O-N 3.16Å; D208-S212 WeakPolarHBondContact O-CB 3.45Å; D208-S212 PolarHBondContact O-N 3.43Å |
| 209 | D | 77.6 | Confident | 69.4 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.1 | -42.9 | 174.4 | -88.3 | 6.1 | 0 | 0 | 0 | 111.6 | V205 I207 Q211 S212 S213 | V205-D209 WeakPolarHBondContact O-CB 3.5Å; V205-D209 PolarHBondContact O-N 3.46Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.88Å; D209-Q211 VanDerWaalsContact C-N 3.29Å; D209-Q211 PolarHBondContact O-N 2.71Å; D209-S212 WeakPolarHBondContact CA-OG 3.36Å; D209-S212 PolarHBondContact O-N 3.46Å; D209-S212 VanDerWaalsContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 3.03Å; D209-S213 PolarHBondContact O-N 3.4Å |
| 210 | Q | 71.3 | Confident | 67.7 | Low | 141 Ų | 141 | 113.1 Ų | 113.1 | 66% | 0.659 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.8 | -27.4 | 176.2 | -77.7 | 170.5 | 66.1 | 0 | 0 | 113.4 | A206 I207 D208 | A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 WeakPolarHBondContact O-CG 3.43Å; A206-Q210 PolarHBondContact O-N 3.39Å; A206-Q210 PolarHBondContact O-NE2 3.45Å; I207-Q210 PolarHBondContact O-N 3.13Å; D208-Q210 PolarHBondContact O-N 3.14Å |
| 211 | Q | 58.7 | Low | 65.7 | Low | 152 Ų | 152 | 116 Ų | 116 | 71% | 0.71 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82 | -23.9 | 172.9 | -70.7 | -175.3 | 15.4 | 0 | 0 | 112.5 | I207 D208 D209 | I207-Q211 WeakPolarHBondContact O-CG 3.37Å; I207-Q211 PolarHBondContact O-N 3Å; D208-Q211 PolarHBondContact O-N 2.95Å; D208-Q211 VanDerWaalsContact O-N 3.16Å; D209-Q211 VanDerWaalsContact C-N 3.29Å; D209-Q211 PolarHBondContact O-N 2.71Å |
| 212 | S | 55.5 | Low | 63.8 | Low | 93 Ų | 93 | 116.8 Ų | 116.8 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.8 | -13.1 | -178.9 | 76.7 | 0 | 0 | 0 | 0 | 114.7 | D208 D209 | D208-S212 WeakPolarHBondContact O-CB 3.45Å; D208-S212 PolarHBondContact O-N 3.43Å; D209-S212 WeakPolarHBondContact CA-OG 3.36Å; D209-S212 PolarHBondContact O-N 3.46Å; D209-S212 VanDerWaalsContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 3.03Å |
| 213 | S | 39.1 | Very low | 61.7 | Low | 73 Ų | 73 | 119.9 Ų | 119.9 | 51% | 0.51 | 66% | 0.656 | S | S | . | * | trans | -153.3 | 111 | 172.4 | -169.4 | 0 | 0 | 0 | 0 | 113.2 | D209 E215 | D209-S213 PolarHBondContact O-N 3.4Å; S213-E215 PolarHBondContact OG-N 3.2Å | ||
| 214 | P | 42.6 | Very low | 59.8 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 74% | 0.74 | 67% | 0.669 | S | S | * | * | -117.2 | 111.7 | 112.8 | 31.5 | -27.6 | 0 | 0 | 0 | 109.5 | D216 | P214-D216 PolarHBondContact O-N 3.31Š| |||
| 215 | E | 48.8 | Very low | 58.2 | Low | 171 Ų | 171 | 122.6 Ų | 122.6 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | -53.1 | 135 | 153.8 | -65.7 | -177.2 | 135.1 | 0 | 0 | 109.7 | S213 K217 | S213-E215 PolarHBondContact OG-N 3.2Å; E215-K217 PolarHBondContact O-N 3.12Å | ||
| 216 | D | 49.3 | Very low | 56.3 | Low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | 58.9 | 62.4 | 137.4 | -157 | 29.2 | 0 | 0 | 0 | 117.9 | P214 | P214-D216 PolarHBondContact O-N 3.31Š| ||
| 217 | K | 38.1 | Very low | 54.2 | Low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | -132.8 | 108.4 | 139.7 | -71.9 | -168.9 | -179.5 | 176.3 | 0 | 109.4 | E215 V219 | E215-K217 PolarHBondContact O-N 3.12Å; K217-V219 PolarHBondContact O-N 3.14Å | ||
| 218 | G | 49.4 | Very low | 53 | Low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -51.6 | 102.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 219 | V | 42.2 | Very low | 50.9 | Low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -102.4 | 92 | 156.6 | -101.4 | 0 | 0 | 0 | 0 | 106.5 | K217 M221 | K217-V219 PolarHBondContact O-N 3.14Å; V219-M221 PolarHBondContact O-N 2.7Å | ||
| 220 | D | 58.5 | Low | 49.3 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -37.1 | 97.4 | 155.4 | -180 | 31.8 | 0 | 0 | 0 | 110.6 | ||||
| 221 | M | 50.9 | Low | 48.2 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -144.2 | 101.4 | 161.2 | -92.3 | -58.1 | -138.2 | 0 | 0 | 110.5 | V219 | V219-M221 PolarHBondContact O-N 2.7Š| ||
| 222 | N | 52.1 | Low | 47.5 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | 87.3 | 52.6 | 153.6 | -137.9 | 28.4 | 0 | 0 | 0 | 117.6 | ||||
| 223 | D | 49.2 | Very low | 47.2 | Very low | 124 Ų | 124 | 132 Ų | 132 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -92.1 | 104 | 148.1 | -167.3 | -7.2 | 0 | 0 | 0 | 109.1 | N225 | D223-N225 PolarHBondContact O-N 3.42Å; D223-N225 WeakPolarHBondContact OD1-CB 3.42Å; D223-N225 PolarHBondContact OD1-N 2.79Å | ||
| 224 | L | 51.9 | Low | 47.6 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 14.7 | 174.2 | -74.9 | 173.5 | 0 | 0 | 0 | 113.1 | ||
| 225 | N | 51.1 | Low | 48 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 23.1 | 178 | -143.1 | 2.4 | 0 | 0 | 0 | 114.1 | D223 G227 | D223-N225 PolarHBondContact O-N 3.42Å; D223-N225 WeakPolarHBondContact OD1-CB 3.42Å; D223-N225 PolarHBondContact OD1-N 2.79Å; N225-G227 PolarHBondContact O-N 3.35Å |
| 226 | K | 49.3 | Very low | 48.1 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -81 | 55.2 | 168.1 | -148.7 | 171.1 | -169.4 | 173.6 | 0 | 111.4 | ||||
| 227 | G | 43.8 | Very low | 48.2 | Very low | 54 Ų | 54 | 137.4 Ų | 137.4 | 56% | 0.557 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -102 | 105.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | N225 | N225-G227 PolarHBondContact O-N 3.35Š|
| 228 | E | 54.1 | Low | 49 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | 43 | 100.7 | 162.4 | -72.6 | -177.1 | 138.9 | 0 | 0 | 117.6 | ||||
| 229 | S | 36.2 | Very low | 49.4 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | -149.5 | 71.8 | 159.1 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | A231 | S229-A231 PolarHBondContact O-N 3.27Å; S229-A231 VanDerWaalsContact O-N 3.11Å | ||
| 230 | A | 44.3 | Very low | 50.3 | Low | 114 Ų | 114 | 134.9 Ų | 134.9 | 94% | 0.942 | 74% | 0.743 | S | S | * | * | trans | -74.8 | 73.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 231 | A | 47.8 | Very low | 50.8 | Low | 76 Ų | 76 | 130 Ų | 130 | 63% | 0.628 | 72% | 0.723 | S | S | * | * | trans | -176.7 | 142.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S229 | S229-A231 PolarHBondContact O-N 3.27Å; S229-A231 VanDerWaalsContact O-N 3.11Å | ||
| 232 | S | 44.4 | Very low | 52 | Low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | trans | 95.4 | 67.1 | 165.9 | -51 | 0 | 0 | 0 | 0 | 117.1 | E234 | S232-E234 PolarHBondContact O-N 3.29Š| ||
| 233 | D | 47.8 | Very low | 53.4 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | trans | -86.8 | 64.3 | 161.6 | -178.1 | 24.6 | 0 | 0 | 0 | 111.3 | ||||
| 234 | E | 47.9 | Very low | 54.9 | Low | 183 Ų | 183 | 122.6 Ų | 122.6 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | trans | -142.9 | 11.2 | 179.4 | -63.6 | -100.6 | 139.3 | 0 | 0 | 113.7 | S232 | S232-E234 PolarHBondContact O-N 3.29Š| ||
| 235 | N | 50.7 | Low | 56.5 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -131.3 | 9.1 | -172.9 | -155.7 | -113.3 | 0 | 0 | 0 | 116.9 | ||
| 236 | L | 51.3 | Low | 58.2 | Low | 143 Ų | 143 | 122.4 Ų | 122.4 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -93.5 | -12.4 | 177 | -75.1 | 163.4 | 0 | 0 | 0 | 114.1 | ||
| 237 | E | 51.8 | Low | 60.2 | Low | 173 Ų | 173 | 118.3 Ų | 118.3 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -81.4 | -29.4 | 179.8 | -77.2 | -177.7 | 135.4 | 0 | 0 | 113.7 | N239 G241 | E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 2.72Å; E237-G241 PolarHBondContact O-N 2.9Å |
| 238 | D | 55.3 | Low | 62.6 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.5 | -31.4 | -177.3 | -80.7 | -26.9 | 0 | 0 | 0 | 113.1 | A242 | D238-A242 PolarHBondContact O-N 2.91Å |
| 239 | N | 56.1 | Low | 64.5 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.6 | -38.7 | -177.5 | -158.8 | -16.5 | 0 | 0 | 0 | 112.3 | E237 G241 A242 V243 | E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 2.72Å; N239-G241 VanDerWaalsContact C-N 3.3Å; N239-G241 PolarHBondContact O-N 3.17Å; N239-A242 PolarHBondContact O-N 2.99Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.4Å; N239-V243 VanDerWaalsContact O-N 3.13Å |
| 240 | Q | 62.3 | Low | 67.3 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66 | -32.9 | 173.5 | -75.6 | -179.8 | 36.8 | 0 | 0 | 112.5 | R244 | Q240-R244 WeakPolarHBondContact O-CG 3.33Å; Q240-R244 PolarHBondContact O-N 3.18Å; Q240-R244 VanDerWaalsContact O-N 3.14Å |
| 241 | G | 69.4 | Low | 69.7 | Low | 27 Ų | 27 | 114.2 Ų | 114.2 | 28% | 0.278 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.8 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E237 N239 Q245 | E237-G241 PolarHBondContact O-N 2.9Å; N239-G241 VanDerWaalsContact C-N 3.3Å; N239-G241 PolarHBondContact O-N 3.17Å; G241-Q245 WeakPolarHBondContact O-CB 3.44Å; G241-Q245 VanDerWaalsContact O-CG 3.24Å; G241-Q245 WeakPolarHBondContact O-CG 3.4Å; G241-Q245 PolarHBondContact O-N 2.96Å; G241-Q245 VanDerWaalsContact O-N 3.07Å |
| 242 | A | 75.3 | Confident | 72 | Confident | 49 Ų | 49 | 118.1 Ų | 118.1 | 41% | 0.405 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D238 N239 Q245 Q246 | D238-A242 PolarHBondContact O-N 2.91Å; N239-A242 PolarHBondContact O-N 2.99Å; A242-Q245 PolarHBondContact O-N 3.15Å; A242-Q246 WeakPolarHBondContact O-CB 3.48Å; A242-Q246 PolarHBondContact O-N 3.14Å |
| 243 | V | 81.2 | Confident | 74.5 | Confident | 65 Ų | 65 | 118.2 Ų | 118.2 | 39% | 0.394 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63 | -46.9 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | N239 Q245 Q246 E247 | N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.4Å; N239-V243 VanDerWaalsContact O-N 3.13Å; V243-Q245 VanDerWaalsContact C-N 3.3Å; V243-Q245 PolarHBondContact O-N 3.23Å; V243-Q246 PolarHBondContact O-N 3.38Å; V243-Q246 VanDerWaalsContact O-N 3.14Å; V243-E247 WeakPolarHBondContact O-CG 3.5Å; V243-E247 PolarHBondContact O-N 3.06Å |
| 244 | R | 81.4 | Confident | 76.8 | Confident | 161 Ų | 161 | 115.4 Ų | 115.4 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.4 | -34.6 | 177 | -71.3 | 179.4 | -172.9 | 148.5 | 8.6 | 112.9 | Q240 A248 | Q240-R244 WeakPolarHBondContact O-CG 3.33Å; Q240-R244 PolarHBondContact O-N 3.18Å; Q240-R244 VanDerWaalsContact O-N 3.14Å; R244-A248 WeakPolarHBondContact O-CB 3.46Å; R244-A248 PolarHBondContact O-N 3.26Å |
| 245 | Q | 86.3 | Confident | 79.1 | Confident | 145 Ų | 145 | 113.2 Ų | 113.2 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -42 | 173.9 | -77.3 | 174.5 | 28.6 | 0 | 0 | 111.5 | G241 A242 V243 A248 E249 | G241-Q245 WeakPolarHBondContact O-CB 3.44Å; G241-Q245 VanDerWaalsContact O-CG 3.24Å; G241-Q245 WeakPolarHBondContact O-CG 3.4Å; G241-Q245 PolarHBondContact O-N 2.96Å; G241-Q245 VanDerWaalsContact O-N 3.07Å; A242-Q245 PolarHBondContact O-N 3.15Å; V243-Q245 VanDerWaalsContact C-N 3.3Å; V243-Q245 PolarHBondContact O-N 3.23Å; Q245-A248 PolarHBondContact O-N 3.45Å; Q245-E249 WeakPolarHBondContact O-CB 3.24Å; Q245-E249 PolarHBondContact O-N 2.92Å |
| 246 | Q | 86.4 | Confident | 81.2 | Confident | 142 Ų | 142 | 112.2 Ų | 112.2 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.5 | -39.3 | 177.6 | -170.5 | 177.5 | -29.6 | 0 | 0 | 112 | A242 V243 E249 K250 | A242-Q246 WeakPolarHBondContact O-CB 3.48Å; A242-Q246 PolarHBondContact O-N 3.14Å; V243-Q246 PolarHBondContact O-N 3.38Å; V243-Q246 VanDerWaalsContact O-N 3.14Å; Q246-E249 PolarHBondContact O-N 3.2Å; Q246-K250 WeakPolarHBondContact O-CB 3.27Å; Q246-K250 PolarHBondContact O-N 3.47Å |
| 247 | E | 91.1 | Very high | 83.3 | Confident | 103 Ų | 103 | 107.8 Ų | 107.8 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.5 | -73.2 | 172.8 | 170.9 | 0 | 0 | 111.9 | V243 E249 K250 D251 | V243-E247 WeakPolarHBondContact O-CG 3.5Å; V243-E247 PolarHBondContact O-N 3.06Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E247-E249 PolarHBondContact O-N 2.95Å; E247-K250 WeakPolarHBondContact O-CB 3.3Å; E247-K250 PolarHBondContact O-N 3.33Å; E247-D251 PolarHBondContact O-N 2.77Å |
| 248 | A | 93.7 | Very high | 85.3 | Confident | 60 Ų | 60 | 104.6 Ų | 104.6 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R244 Q245 R252 | R244-A248 WeakPolarHBondContact O-CB 3.46Å; R244-A248 PolarHBondContact O-N 3.26Å; Q245-A248 PolarHBondContact O-N 3.45Å; A248-R252 VanDerWaalsContact O-CB 3.28Å; A248-R252 WeakPolarHBondContact O-CB 3.47Å; A248-R252 PolarHBondContact O-N 2.77Å |
| 249 | E | 93.3 | Very high | 87.2 | Confident | 130 Ų | 130 | 104.4 Ų | 104.4 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -41.8 | 173.8 | -173.9 | 169.9 | -164.5 | 0 | 0 | 111.7 | Q245 Q246 E247 R252 L253 | Q245-E249 WeakPolarHBondContact O-CB 3.24Å; Q245-E249 PolarHBondContact O-N 2.92Å; Q246-E249 PolarHBondContact O-N 3.2Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E247-E249 PolarHBondContact O-N 2.95Å; E249-R252 PolarHBondContact O-N 3.44Å; E249-L253 WeakPolarHBondContact O-CB 3.22Å; E249-L253 PolarHBondContact O-N 3.33Å |
| 250 | K | 95.3 | Very high | 88.9 | Confident | 108 Ų | 108 | 102.7 Ų | 102.7 | 47% | 0.47 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.6 | -50.2 | 172.6 | -177 | -164.8 | 66.9 | 63.2 | 0 | 111.1 | Q246 E247 R252 L253 L254 | Q246-K250 WeakPolarHBondContact O-CB 3.27Å; Q246-K250 PolarHBondContact O-N 3.47Å; E247-K250 WeakPolarHBondContact O-CB 3.3Å; E247-K250 PolarHBondContact O-N 3.33Å; K250-R252 VanDerWaalsContact C-N 3.31Å; K250-R252 PolarHBondContact O-N 2.83Å; K250-L253 PolarHBondContact O-N 2.95Å; K250-L254 HydrophobicContact CD-CD1 4.44Å; K250-L254 HydrophobicContact CG-CD1 4.06Å; K250-L254 WeakPolarHBondContact O-CG 3.48Å; K250-L254 PolarHBondContact O-N 2.8Å |
| 251 | D | 95.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 102.6 Ų | 102.6 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | -178.9 | -73 | -11.7 | 0 | 0 | 0 | 111.7 | E247 L253 L254 E255 | E247-D251 PolarHBondContact O-N 2.77Å; D251-L253 PolarHBondContact O-N 3.31Å; D251-L254 PolarHBondContact O-N 2.93Å; D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 3.41Å |
| 252 | R | 96.7 | Very high | 91.2 | Very high | 158 Ų | 158 | 108.6 Ų | 108.6 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 173.8 | -179.1 | -178.5 | 157.9 | -126.7 | -19 | 112 | A248 E249 K250 E255 E256 | A248-R252 VanDerWaalsContact O-CB 3.28Å; A248-R252 WeakPolarHBondContact O-CB 3.47Å; A248-R252 PolarHBondContact O-N 2.77Å; E249-R252 PolarHBondContact O-N 3.44Å; K250-R252 VanDerWaalsContact C-N 3.31Å; K250-R252 PolarHBondContact O-N 2.83Å; R252-E255 PolarHBondContact O-N 3.03Å; R252-E256 IonicContact NH2-OE2 3.12Å; R252-E256 WeakPolarHBondContact O-CB 3.28Å; R252-E256 PolarHBondContact O-N 3.33Å |
| 253 | L | 96.6 | Very high | 92 | Very high | 117 Ų | 117 | 112.4 Ų | 112.4 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 178.9 | -174.8 | 63.4 | 0 | 0 | 0 | 111.4 | E249 K250 D251 E256 A257 | E249-L253 WeakPolarHBondContact O-CB 3.22Å; E249-L253 PolarHBondContact O-N 3.33Å; K250-L253 PolarHBondContact O-N 2.95Å; D251-L253 PolarHBondContact O-N 3.31Å; L253-E256 PolarHBondContact O-N 2.95Å; L253-A257 WeakPolarHBondContact O-CB 3.28Å; L253-A257 PolarHBondContact O-N 2.97Å |
| 254 | L | 95.4 | Very high | 92.2 | Very high | 91 Ų | 91 | 113.2 Ų | 113.2 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 175 | -71.8 | 169.6 | 0 | 0 | 0 | 111.7 | K250 D251 A257 M258 | K250-L254 HydrophobicContact CD-CD1 4.44Å; K250-L254 HydrophobicContact CG-CD1 4.06Å; K250-L254 WeakPolarHBondContact O-CG 3.48Å; K250-L254 PolarHBondContact O-N 2.8Å; D251-L254 PolarHBondContact O-N 2.93Å; L254-A257 PolarHBondContact O-N 3.44Å; L254-M258 WeakPolarHBondContact O-CG 3.4Å; L254-M258 PolarHBondContact O-N 2.71Å |
| 255 | E | 96.3 | Very high | 92.5 | Very high | 136 Ų | 136 | 111.9 Ų | 111.9 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 176.1 | -171.6 | 177 | -163.2 | 0 | 0 | 112.2 | D251 R252 M258 K259 | D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 3.41Å; R252-E255 PolarHBondContact O-N 3.03Å; E255-M258 HydrophobicContact CB-CE 4.47Å; E255-M258 PolarHBondContact O-N 3.01Å; E255-K259 WeakPolarHBondContact O-CB 3.45Å; E255-K259 PolarHBondContact O-N 3.19Å |
| 256 | E | 95.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 112.8 Ų | 112.8 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.5 | -174 | 157.6 | -170 | 0 | 0 | 111.6 | R252 L253 K259 E260 | R252-E256 IonicContact NH2-OE2 3.12Å; R252-E256 WeakPolarHBondContact O-CB 3.28Å; R252-E256 PolarHBondContact O-N 3.33Å; L253-E256 PolarHBondContact O-N 2.95Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 3.01Å; E256-E260 PolarHBondContact O-N 3.27Å |
| 257 | A | 94.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 108.6 Ų | 108.6 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L253 L254 K259 E260 L261 | L253-A257 WeakPolarHBondContact O-CB 3.28Å; L253-A257 PolarHBondContact O-N 2.97Å; L254-A257 PolarHBondContact O-N 3.44Å; A257-K259 PolarHBondContact O-N 3.27Å; A257-E260 PolarHBondContact O-N 2.93Å; A257-E260 VanDerWaalsContact O-N 3.17Å; A257-L261 PolarHBondContact O-N 3.14Å |
| 258 | M | 94.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 105.2 Ų | 105.2 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -33.5 | 175.7 | -75.4 | -169.9 | -72.5 | 0 | 0 | 112.7 | L254 E255 K262 | L254-M258 WeakPolarHBondContact O-CG 3.4Å; L254-M258 PolarHBondContact O-N 2.71Å; E255-M258 HydrophobicContact CB-CE 4.47Å; E255-M258 PolarHBondContact O-N 3.01Å; M258-K262 WeakPolarHBondContact O-CG 3.41Å; M258-K262 PolarHBondContact O-N 2.96Å |
| 259 | K | 95.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 177.4 | -172.7 | 178.7 | -174.6 | 175.5 | 0 | 111.9 | E255 E256 A257 K262 R263 | E255-K259 WeakPolarHBondContact O-CB 3.45Å; E255-K259 PolarHBondContact O-N 3.19Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 3.01Å; A257-K259 PolarHBondContact O-N 3.27Å; K259-K262 PolarHBondContact O-N 3.4Å; K259-R263 WeakPolarHBondContact O-CG 3.24Å; K259-R263 PolarHBondContact O-N 3.2Å; K259-R263 VanDerWaalsContact O-N 3.15Å |
| 260 | E | 90.9 | Very high | 92 | Very high | 82 Ų | 82 | 105.4 Ų | 105.4 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 176.2 | -156.7 | 62.6 | -155.8 | 0 | 0 | 110.9 | E256 A257 K262 R263 E264 | E256-E260 PolarHBondContact O-N 3.27Å; A257-E260 PolarHBondContact O-N 2.93Å; A257-E260 VanDerWaalsContact O-N 3.17Å; E260-K262 PolarHBondContact O-N 3.46Å; E260-R263 WeakPolarHBondContact O-CA 3.45Å; E260-R263 WeakPolarHBondContact O-CB 3.36Å; E260-R263 PolarHBondContact O-N 3.45Å; E260-R263 IonicContact OE2-CZ 2.69Å; E260-R263 IonicContact OE2-NH1 3.41Å; E260-R263 PolarHBondContact OE2-NH1 2.87Å; E260-E264 PolarHBondContact O-N 3.03Å |
| 261 | L | 88.2 | Confident | 91.7 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -54.8 | -38.7 | 174.1 | -74.1 | 171 | 0 | 0 | 0 | 112.8 | A257 K265 | A257-L261 PolarHBondContact O-N 3.14Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 PolarHBondContact O-N 3.22Å |
| 262 | K | 91.5 | Very high | 91.3 | Very high | 154 Ų | 154 | 101 Ų | 101 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.8 | -36.8 | 175.3 | -76.3 | 172.1 | -175.4 | 171 | 0 | 112.7 | M258 K259 E260 Y266 | M258-K262 WeakPolarHBondContact O-CG 3.41Å; M258-K262 PolarHBondContact O-N 2.96Å; K259-K262 PolarHBondContact O-N 3.4Å; E260-K262 PolarHBondContact O-N 3.46Å; K262-Y266 PolarHBondContact O-N 3.3Å; K262-Y266 VanDerWaalsContact O-N 3.1Å |
| 263 | R | 91.9 | Very high | 91 | Very high | 128 Ų | 128 | 99.7 Ų | 99.7 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 176.9 | -70.2 | 166.9 | 175.6 | 163.7 | -5.1 | 110.9 | K259 E260 Y266 S267 | K259-R263 WeakPolarHBondContact O-CG 3.24Å; K259-R263 PolarHBondContact O-N 3.2Å; K259-R263 VanDerWaalsContact O-N 3.15Å; E260-R263 WeakPolarHBondContact O-CA 3.45Å; E260-R263 WeakPolarHBondContact O-CB 3.36Å; E260-R263 PolarHBondContact O-N 3.45Å; E260-R263 IonicContact OE2-CZ 2.69Å; E260-R263 IonicContact OE2-NH1 3.41Å; E260-R263 PolarHBondContact OE2-NH1 2.87Å; R263-Y266 PolarHBondContact O-N 3.13Å; R263-S267 PolarHBondContact O-N 2.89Å |
| 264 | E | 86.6 | Confident | 90.5 | Very high | 82 Ų | 82 | 99.4 Ų | 99.4 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 176.2 | -73.4 | 173.7 | -178.8 | 0 | 0 | 110.6 | E260 Y266 S267 Q268 | E260-E264 PolarHBondContact O-N 3.03Å; E264-Y266 VanDerWaalsContact C-N 3.35Å; E264-Y266 PolarHBondContact O-N 3.12Å; E264-S267 WeakPolarHBondContact CA-OG 3.37Å; E264-S267 PolarHBondContact O-N 3.18Å; E264-S267 VanDerWaalsContact O-N 3.11Å; E264-S267 PolarHBondContact O-OG 2.92Å; E264-Q268 WeakPolarHBondContact O-CB 3.46Å; E264-Q268 PolarHBondContact O-N 3.4Å |
| 265 | K | 86.7 | Confident | 90.1 | Very high | 134 Ų | 134 | 95.9 Ų | 95.9 | 58% | 0.583 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -56.5 | -45.7 | 174.6 | -177.1 | 170 | -178.3 | 156.3 | 0 | 112.8 | L261 S267 Q268 D269 | L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 PolarHBondContact O-N 3.22Å; K265-S267 VanDerWaalsContact C-N 3.34Å; K265-S267 PolarHBondContact O-N 3.49Å; K265-Q268 WeakPolarHBondContact O-CB 3.39Å; K265-Q268 PolarHBondContact O-N 3.42Å; K265-D269 PolarHBondContact O-N 2.98Å |
| 266 | Y | 88.8 | Confident | 89.7 | Confident | 164 Ų | 164 | 93.4 Ų | 93.4 | 64% | 0.643 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 176.5 | -179 | -94.6 | 0 | 0 | 0 | 112 | K262 R263 E264 Q268 D269 E270 | K262-Y266 PolarHBondContact O-N 3.3Å; K262-Y266 VanDerWaalsContact O-N 3.1Å; R263-Y266 PolarHBondContact O-N 3.13Å; E264-Y266 VanDerWaalsContact C-N 3.35Å; E264-Y266 PolarHBondContact O-N 3.12Å; Y266-Q268 VanDerWaalsContact C-N 3.33Å; Y266-D269 PolarHBondContact O-N 2.93Å; Y266-E270 PolarHBondContact O-N 3.06Å |
| 267 | S | 88.6 | Confident | 89.3 | Confident | 53 Ų | 53 | 96.5 Ų | 96.5 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 177 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | R263 E264 K265 E270 I271 | R263-S267 PolarHBondContact O-N 2.89Å; E264-S267 WeakPolarHBondContact CA-OG 3.37Å; E264-S267 PolarHBondContact O-N 3.18Å; E264-S267 VanDerWaalsContact O-N 3.11Å; E264-S267 PolarHBondContact O-OG 2.92Å; K265-S267 VanDerWaalsContact C-N 3.34Å; K265-S267 PolarHBondContact O-N 3.49Å; S267-E270 PolarHBondContact O-N 3.37Å; S267-I271 VanDerWaalsContact O-CG1 3.26Å; S267-I271 WeakPolarHBondContact O-CG1 3.3Å; S267-I271 PolarHBondContact O-N 3.11Å |
| 268 | Q | 85.8 | Confident | 88.9 | Confident | 33 Ų | 33 | 99.5 Ų | 99.5 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.7 | -171 | -179.9 | 24.4 | 0 | 0 | 111.4 | E264 K265 Y266 E270 I271 L272 A293 F296 | E264-Q268 WeakPolarHBondContact O-CB 3.46Å; E264-Q268 PolarHBondContact O-N 3.4Å; K265-Q268 WeakPolarHBondContact O-CB 3.39Å; K265-Q268 PolarHBondContact O-N 3.42Å; Y266-Q268 VanDerWaalsContact C-N 3.33Å; Q268-E270 VanDerWaalsContact C-N 3.33Å; Q268-E270 PolarHBondContact O-N 2.9Å; Q268-I271 PolarHBondContact O-N 2.92Å; Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 PolarHBondContact O-N 3.14Å; Q268-A293 PolarHBondContact NE2-O 3.36Å; Q268-F296 HydrophobicContact CG-CB 4.28Å |
| 269 | D | 87.4 | Confident | 88.4 | Confident | 83 Ų | 83 | 94.8 Ų | 94.8 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.3 | -75.8 | -19.5 | 0 | 0 | 0 | 111.7 | K265 Y266 L272 H273 | K265-D269 PolarHBondContact O-N 2.98Å; Y266-D269 PolarHBondContact O-N 2.93Å; D269-L272 PolarHBondContact O-N 2.95Å; D269-H273 WeakPolarHBondContact O-CB 3.38Å; D269-H273 PolarHBondContact O-N 2.91Å |
| 270 | E | 90.3 | Very high | 88 | Confident | 111 Ų | 111 | 95.9 Ų | 95.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.7 | -172.2 | 173.1 | -160.9 | 0 | 0 | 111.6 | Y266 S267 Q268 L272 H273 M274 | Y266-E270 PolarHBondContact O-N 3.06Å; S267-E270 PolarHBondContact O-N 3.37Å; Q268-E270 VanDerWaalsContact C-N 3.33Å; Q268-E270 PolarHBondContact O-N 2.9Å; E270-L272 PolarHBondContact O-N 3.4Å; E270-H273 PolarHBondContact O-N 3.26Å; E270-M274 WeakPolarHBondContact O-CG 3.48Å; E270-M274 PolarHBondContact O-N 3.44Å |
| 271 | I | 88.6 | Confident | 87.8 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 41% | 0.41 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.5 | -68.8 | 164.3 | 0 | 0 | 0 | 110.6 | S267 Q268 H273 M274 A275 F296 | S267-I271 VanDerWaalsContact O-CG1 3.26Å; S267-I271 WeakPolarHBondContact O-CG1 3.3Å; S267-I271 PolarHBondContact O-N 3.11Å; Q268-I271 PolarHBondContact O-N 2.92Å; I271-H273 VanDerWaalsContact C-N 3.34Å; I271-H273 PolarHBondContact O-N 3.44Å; I271-M274 WeakPolarHBondContact O-CB 3.4Å; I271-M274 PolarHBondContact O-N 3.38Å; I271-A275 WeakPolarHBondContact O-CB 3.43Å; I271-A275 PolarHBondContact O-N 3.36Å; I271-F296 HydrophobicContact CG2-CB 4.43Å; I271-F296 HydrophobicContact CG2-CD1 3.53Å; I271-F296 HydrophobicContact CG2-CE1 3.85Å; I271-F296 HydrophobicContact CG2-CG 3.9Å; I271-F296 HydrophobicContact CG2-CZ 4.47Å |
| 272 | L | 87.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 100.5 Ų | 100.5 | 14% | 0.136 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 178 | 178.1 | 145.1 | 0 | 0 | 0 | 111.7 | Q268 D269 E270 A275 K276 A293 | Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 PolarHBondContact O-N 3.14Å; D269-L272 PolarHBondContact O-N 2.95Å; E270-L272 PolarHBondContact O-N 3.4Å; L272-A275 PolarHBondContact O-N 3.07Å; L272-K276 HydrophobicContact CD2-CD 3.86Å; L272-K276 VanDerWaalsContact CD2-CE 3.5Å; L272-K276 HydrophobicContact CD2-CG 4.47Å; L272-K276 WeakPolarHBondContact O-CG 3.48Å; L272-K276 PolarHBondContact O-N 3Å; L272-A293 HydrophobicContact CD1-CB 3.87Å |
| 273 | H | 89.4 | Confident | 86.8 | Confident | 130 Ų | 130 | 96.7 Ų | 96.7 | 60% | 0.602 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 175.2 | -179.7 | -102 | 0 | 0 | 0 | 111.9 | D269 E270 I271 R277 | D269-H273 WeakPolarHBondContact O-CB 3.38Å; D269-H273 PolarHBondContact O-N 2.91Å; E270-H273 PolarHBondContact O-N 3.26Å; I271-H273 VanDerWaalsContact C-N 3.34Å; I271-H273 PolarHBondContact O-N 3.44Å; H273-R277 PolarHBondContact O-N 2.93Å; H273-R277 VanDerWaalsContact O-N 3.12Å |
| 274 | M | 87.3 | Confident | 86 | Confident | 111 Ų | 111 | 94.3 Ų | 94.3 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.4 | -71.3 | -179.1 | 62.5 | 0 | 0 | 111.9 | E270 I271 R277 L278 | E270-M274 WeakPolarHBondContact O-CG 3.48Å; E270-M274 PolarHBondContact O-N 3.44Å; I271-M274 WeakPolarHBondContact O-CB 3.4Å; I271-M274 PolarHBondContact O-N 3.38Å; M274-R277 WeakPolarHBondContact O-CB 3.49Å; M274-R277 PolarHBondContact O-N 3.03Å; M274-L278 WeakPolarHBondContact O-CG 3.48Å; M274-L278 PolarHBondContact O-N 2.9Å |
| 275 | A | 86.6 | Confident | 85.2 | Confident | 17 Ų | 17 | 93.9 Ų | 93.9 | 14% | 0.14 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I271 L272 R277 L278 A279 V291 F296 | I271-A275 WeakPolarHBondContact O-CB 3.43Å; I271-A275 PolarHBondContact O-N 3.36Å; L272-A275 PolarHBondContact O-N 3.07Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 2.9Å; A275-L278 WeakPolarHBondContact O-CB 3.28Å; A275-L278 PolarHBondContact O-N 3.09Å; A275-L278 VanDerWaalsContact O-N 3.13Å; A275-A279 PolarHBondContact O-N 2.94Å; A275-V291 HydrophobicContact CB-CG1 3.59Å; A275-F296 HydrophobicContact CB-CE1 4.38Å; A275-F296 HydrophobicContact CB-CE2 3.98Å; A275-F296 HydrophobicContact CB-CZ 3.49Å; A275-F296 VanDerWaalsContact CB-CZ 3.49Å |
| 276 | K | 87.1 | Confident | 84.1 | Confident | 83 Ų | 83 | 89.2 Ų | 89.2 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 173.6 | -74.8 | -178.5 | 176.7 | -176.1 | 0 | 112.3 | L272 L278 A279 Q280 | L272-K276 HydrophobicContact CD2-CD 3.86Å; L272-K276 VanDerWaalsContact CD2-CE 3.5Å; L272-K276 HydrophobicContact CD2-CG 4.47Å; L272-K276 WeakPolarHBondContact O-CG 3.48Å; L272-K276 PolarHBondContact O-N 3Å; K276-L278 VanDerWaalsContact C-N 3.35Å; K276-A279 PolarHBondContact O-N 2.65Å; K276-Q280 PolarHBondContact O-N 3.31Å; K276-Q280 VanDerWaalsContact O-N 3.07Å |
| 277 | R | 88.4 | Confident | 82.8 | Confident | 170 Ų | 170 | 87.9 Ų | 87.9 | 64% | 0.642 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 176.3 | -173.1 | 179.9 | -179.6 | -166.2 | 0.3 | 112.1 | H273 M274 A275 L281 | H273-R277 PolarHBondContact O-N 2.93Å; H273-R277 VanDerWaalsContact O-N 3.12Å; M274-R277 WeakPolarHBondContact O-CB 3.49Å; M274-R277 PolarHBondContact O-N 3.03Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 2.9Å; R277-L281 HydrophobicContact CG-CD1 4.43Å; R277-L281 WeakPolarHBondContact O-CG 3.44Å; R277-L281 PolarHBondContact O-N 2.88Å; R277-L281 VanDerWaalsContact O-N 3.08Å |
| 278 | L | 84.9 | Confident | 81.5 | Confident | 114 Ų | 114 | 93.3 Ų | 93.3 | 60% | 0.597 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 176.4 | -71.9 | 171.1 | 0 | 0 | 0 | 111.9 | M274 A275 K276 Q280 L281 K282 | M274-L278 WeakPolarHBondContact O-CG 3.48Å; M274-L278 PolarHBondContact O-N 2.9Å; A275-L278 WeakPolarHBondContact O-CB 3.28Å; A275-L278 PolarHBondContact O-N 3.09Å; A275-L278 VanDerWaalsContact O-N 3.13Å; K276-L278 VanDerWaalsContact C-N 3.35Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-Q280 PolarHBondContact O-N 3.39Å; L278-L281 PolarHBondContact O-N 3.42Å; L278-K282 WeakPolarHBondContact O-CB 3.33Å; L278-K282 PolarHBondContact O-N 3.37Å |
| 279 | A | 85.1 | Confident | 80.2 | Confident | 7 Ų | 7 | 95.6 Ų | 95.6 | 6% | 0.058 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | A275 K276 L281 K282 G283 Q284 | A275-A279 PolarHBondContact O-N 2.94Å; K276-A279 PolarHBondContact O-N 2.65Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.14Å; A279-K282 WeakPolarHBondContact O-CB 3.41Å; A279-K282 PolarHBondContact O-N 3.22Å; A279-G283 PolarHBondContact O-N 3.3Å; A279-Q284 CarbonylContact C-O 3.52Å; A279-Q284 HydrophobicContact CB-CB 4.29Å; A279-Q284 WeakPolarHBondContact O-CB 3.26Å; A279-Q284 PolarHBondContact O-N 3.13Å |
| 280 | Q | 87.1 | Confident | 78.8 | Confident | 140 Ų | 140 | 97.3 Ų | 97.3 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 177.9 | -168.2 | 174 | 32.1 | 0 | 0 | 112.7 | K276 L278 K282 G283 | K276-Q280 PolarHBondContact O-N 3.31Å; K276-Q280 VanDerWaalsContact O-N 3.07Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-Q280 PolarHBondContact O-N 3.39Å; Q280-K282 VanDerWaalsContact C-N 3.29Å; Q280-K282 PolarHBondContact O-N 3.3Å; Q280-G283 PolarHBondContact O-N 3.26Å |
| 281 | L | 85.6 | Confident | 77.5 | Confident | 134 Ų | 134 | 93.3 Ų | 93.3 | 70% | 0.702 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -28.3 | 176.2 | -73.8 | 172.2 | 0 | 0 | 0 | 113 | R277 L278 A279 G283 | R277-L281 HydrophobicContact CG-CD1 4.43Å; R277-L281 WeakPolarHBondContact O-CG 3.44Å; R277-L281 PolarHBondContact O-N 2.88Å; R277-L281 VanDerWaalsContact O-N 3.08Å; L278-L281 PolarHBondContact O-N 3.42Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.14Å; L281-G283 PolarHBondContact O-N 2.71Å |
| 282 | K | 79.3 | Confident | 76.4 | Confident | 156 Ų | 156 | 91.5 Ų | 91.5 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.6 | 176.8 | -157.4 | 173.4 | 173.9 | -165.3 | 0 | 112.7 | L278 A279 Q280 Q284 | L278-K282 WeakPolarHBondContact O-CB 3.33Å; L278-K282 PolarHBondContact O-N 3.37Å; A279-K282 WeakPolarHBondContact O-CB 3.41Å; A279-K282 PolarHBondContact O-N 3.22Å; Q280-K282 VanDerWaalsContact C-N 3.29Å; Q280-K282 PolarHBondContact O-N 3.3Å; K282-Q284 PolarHBondContact O-N 3.17Å |
| 283 | G | 80.1 | Confident | 75.3 | Confident | 74 Ų | 74 | 91.4 Ų | 91.4 | 76% | 0.763 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 14.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A279 Q280 L281 | A279-G283 PolarHBondContact O-N 3.3Å; Q280-G283 PolarHBondContact O-N 3.26Å; L281-G283 PolarHBondContact O-N 2.71Å |
| 284 | Q | 76.1 | Confident | 74.1 | Confident | 78 Ų | 78 | 90.1 Ų | 90.1 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -88.7 | 141.8 | 173.6 | -78.5 | 177.3 | -25.6 | 0 | 0 | 109.4 | A279 K282 P286 D289 | A279-Q284 CarbonylContact C-O 3.52Å; A279-Q284 HydrophobicContact CB-CB 4.29Å; A279-Q284 WeakPolarHBondContact O-CB 3.26Å; A279-Q284 PolarHBondContact O-N 3.13Å; K282-Q284 PolarHBondContact O-N 3.17Å; Q284-P286 WeakPolarHBondContact O-CD 3.46Å; Q284-D289 WeakPolarHBondContact CB-OD2 3.43Å; Q284-D289 VanDerWaalsContact CD-OD2 3.27Å; Q284-D289 WeakPolarHBondContact CG-OD2 3.38Å | ||
| 285 | D | 69.8 | Low | 73.2 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | trans | -81.2 | 115 | 178.4 | -175.4 | -21.1 | 0 | 0 | 0 | 108.6 | D287 K288 D289 | D285-D287 PolarHBondContact O-N 3.16Å; D285-D287 VanDerWaalsContact O-N 3.11Å; D285-D287 PolarHBondContact OD1-N 2.97Å; D285-D287 VanDerWaalsContact OD1-N 3.14Å; D285-K288 HydrophobicContact CB-CB 4.06Å; D285-K288 HydrophobicContact CB-CD 4.24Å; D285-K288 HydrophobicContact CB-CG 4.23Å; D285-K288 PolarHBondContact O-N 3.4Å; D285-D289 PolarHBondContact O-N 3.39Å; D285-D289 VanDerWaalsContact O-N 3.15Å | ||
| 286 | P | 61.7 | Low | 72.3 | Confident | 35 Ų | 35 | 91.7 Ų | 91.7 | 23% | 0.227 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.4 | -173.6 | 25.6 | -34.4 | 0 | 0 | 0 | 113.6 | Q284 | Q284-P286 WeakPolarHBondContact O-CD 3.46Š|
| 287 | D | 63.4 | Low | 71.4 | Confident | 136 Ų | 136 | 94.7 Ų | 94.7 | 73% | 0.727 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -17.9 | 178.2 | -71.5 | -28.5 | 0 | 0 | 0 | 112.9 | D285 | D285-D287 PolarHBondContact O-N 3.16Å; D285-D287 VanDerWaalsContact O-N 3.11Å; D285-D287 PolarHBondContact OD1-N 2.97Å; D285-D287 VanDerWaalsContact OD1-N 3.14Å |
| 288 | K | 59.4 | Low | 70.1 | Confident | 167 Ų | 167 | 93.7 Ų | 93.7 | 73% | 0.726 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -31.2 | 177.4 | -72.6 | -176.2 | 176.5 | 174.3 | 0 | 114 | D285 L290 | D285-K288 HydrophobicContact CB-CB 4.06Å; D285-K288 HydrophobicContact CB-CD 4.24Å; D285-K288 HydrophobicContact CB-CG 4.23Å; D285-K288 PolarHBondContact O-N 3.4Å; K288-L290 PolarHBondContact O-N 3.2Å |
| 289 | D | 58.4 | Low | 68.7 | Low | 82 Ų | 82 | 91.2 Ų | 91.2 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 11.2 | 179.8 | -76.4 | -19.3 | 0 | 0 | 0 | 113.3 | Q284 D285 V291 | Q284-D289 WeakPolarHBondContact CB-OD2 3.43Å; Q284-D289 VanDerWaalsContact CD-OD2 3.27Å; Q284-D289 WeakPolarHBondContact CG-OD2 3.38Å; D285-D289 PolarHBondContact O-N 3.39Å; D285-D289 VanDerWaalsContact O-N 3.15Å; D289-V291 VanDerWaalsContact C-N 3.32Å; D289-V291 PolarHBondContact O-N 3.4Å; D289-V291 VanDerWaalsContact O-N 3.16Å |
| 290 | L | 59.6 | Low | 66.9 | Low | 118 Ų | 118 | 98.2 Ų | 98.2 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 48.2 | 170 | -158.8 | 73.4 | 0 | 0 | 0 | 113.7 | K288 T292 | K288-L290 PolarHBondContact O-N 3.2Å; L290-T292 HydrophobicContact CD1-CG2 3.72Å; L290-T292 HydrophobicContact CD2-CG2 4.47Å; L290-T292 HydrophobicContact CG-CG2 3.61Å; L290-T292 PolarHBondContact O-N 3.46Å |
| 291 | V | 62.8 | Low | 65.3 | Low | 28 Ų | 28 | 94.9 Ų | 94.9 | 17% | 0.17 | 50% | 0.5 | C | S | . | . | trans | -71 | 83.3 | 170 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | A275 D289 F296 | A275-V291 HydrophobicContact CB-CG1 3.59Å; D289-V291 VanDerWaalsContact C-N 3.32Å; D289-V291 PolarHBondContact O-N 3.4Å; D289-V291 VanDerWaalsContact O-N 3.16Å; V291-F296 HydrophobicContact CG1-CE2 3.68Å; V291-F296 HydrophobicContact CG1-CZ 4.06Å | ||
| 292 | T | 64.7 | Low | 63.7 | Low | 41 Ų | 41 | 98.4 Ų | 98.4 | 25% | 0.252 | 51% | 0.512 | S | S | . | . | trans | -95 | 160.6 | -177.9 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | L290 E294 D295 F296 | L290-T292 HydrophobicContact CD1-CG2 3.72Å; L290-T292 HydrophobicContact CD2-CG2 4.47Å; L290-T292 HydrophobicContact CG-CG2 3.61Å; L290-T292 PolarHBondContact O-N 3.46Å; T292-E294 PolarHBondContact O-N 3Å; T292-D295 PolarHBondContact O-N 3.18Å; T292-F296 WeakPolarHBondContact O-CD2 3.28Å | ||
| 293 | A | 63.6 | Low | 62.5 | Low | 24 Ų | 24 | 98.7 Ų | 98.7 | 20% | 0.198 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -61.7 | -30.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q268 L272 D295 F296 R297 | Q268-A293 PolarHBondContact NE2-O 3.36Å; L272-A293 HydrophobicContact CD1-CB 3.87Å; A293-D295 VanDerWaalsContact C-N 3.29Å; A293-D295 PolarHBondContact O-N 3.48Å; A293-F296 PolarHBondContact O-N 3.16Å; A293-F296 VanDerWaalsContact O-N 3.12Å; A293-R297 PolarHBondContact O-N 3.09Å |
| 294 | E | 65.1 | Low | 62 | Low | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -54.7 | -37.9 | 176 | -77.5 | 60.8 | -146.3 | 0 | 0 | 113.3 | T292 F296 R297 | T292-E294 PolarHBondContact O-N 3Å; E294-F296 PolarHBondContact O-N 3.26Å; E294-R297 PolarHBondContact O-N 2.97Å; E294-R297 IonicContact OE1-CZ 2.77Å; E294-R297 IonicContact OE1-NH1 2.77Å; E294-R297 PolarHBondContact OE1-NH1 2.69Å; E294-R297 IonicContact OE1-NH2 3.03Å; E294-R297 PolarHBondContact OE1-NH2 3.42Å |
| 295 | D | 67.6 | Low | 62.2 | Low | 83 Ų | 83 | 97.8 Ų | 97.8 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -69 | -15.2 | -179.9 | -83 | -14.3 | 0 | 0 | 0 | 113.5 | T292 A293 K315 | T292-D295 PolarHBondContact O-N 3.18Å; A293-D295 VanDerWaalsContact C-N 3.29Å; A293-D295 PolarHBondContact O-N 3.48Å; D295-K315 VanDerWaalsContact CG-NZ 3.26Å; D295-K315 IonicContact OD1-NZ 3.95Å; D295-K315 PolarHBondContact OD1-NZ 3.3Å; D295-K315 IonicContact OD2-NZ 2.71Å; D295-K315 PolarHBondContact OD2-NZ 2.92Å; D295-K315 VanDerWaalsContact OD2-NZ 3.14Å |
| 296 | F | 68.4 | Low | 62.7 | Low | 78 Ų | 78 | 102.1 Ų | 102.1 | 34% | 0.342 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -113.4 | 8.9 | 179.8 | -55.1 | -77.6 | 0 | 0 | 0 | 113.4 | Q268 I271 A275 V291 T292 A293 E294 | Q268-F296 HydrophobicContact CG-CB 4.28Å; I271-F296 HydrophobicContact CG2-CB 4.43Å; I271-F296 HydrophobicContact CG2-CD1 3.53Å; I271-F296 HydrophobicContact CG2-CE1 3.85Å; I271-F296 HydrophobicContact CG2-CG 3.9Å; I271-F296 HydrophobicContact CG2-CZ 4.47Å; A275-F296 HydrophobicContact CB-CE1 4.38Å; A275-F296 HydrophobicContact CB-CE2 3.98Å; A275-F296 HydrophobicContact CB-CZ 3.49Å; A275-F296 VanDerWaalsContact CB-CZ 3.49Å; V291-F296 HydrophobicContact CG1-CE2 3.68Å; V291-F296 HydrophobicContact CG1-CZ 4.06Å; T292-F296 WeakPolarHBondContact O-CD2 3.28Å; A293-F296 PolarHBondContact O-N 3.16Å; A293-F296 VanDerWaalsContact O-N 3.12Å; E294-F296 PolarHBondContact O-N 3.26Å |
| 297 | R | 68.8 | Low | 63.6 | Low | 146 Ų | 146 | 106.2 Ų | 106.2 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -71.1 | 138.9 | 173.7 | -78.2 | -170.1 | -178.4 | 126.6 | 16.7 | 110.4 | A293 E294 | A293-R297 PolarHBondContact O-N 3.09Å; E294-R297 PolarHBondContact O-N 2.97Å; E294-R297 IonicContact OE1-CZ 2.77Å; E294-R297 IonicContact OE1-NH1 2.77Å; E294-R297 PolarHBondContact OE1-NH1 2.69Å; E294-R297 IonicContact OE1-NH2 3.03Å; E294-R297 PolarHBondContact OE1-NH2 3.42Å |
| 298 | Q | 60.1 | Low | 64.4 | Low | 149 Ų | 149 | 104 Ų | 104 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | trans | -68.8 | 136.3 | 172.3 | -91.7 | 179.5 | -46.5 | 0 | 0 | 110.5 | D300 | Q298-D300 VanDerWaalsContact C-N 3.29Å; Q298-D300 PolarHBondContact O-N 3.36Å | ||
| 299 | P | 55.3 | Low | 65.5 | Low | 62 Ų | 62 | 97.8 Ų | 97.8 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -76.8 | -5.6 | -170 | 29.1 | -35.1 | 0 | 0 | 0 | 115.2 | S301 | P299-S301 VanDerWaalsContact C-N 3.31Å; P299-S301 PolarHBondContact O-N 3.48Å |
| 300 | D | 47.7 | Very low | 66.8 | Low | 154 Ų | 154 | 97.9 Ų | 97.9 | 82% | 0.824 | 50% | 0.5 | S | S | * | . | trans | -94.8 | 31.3 | -173.4 | -59.7 | -24.9 | 0 | 0 | 0 | 113 | Q298 | Q298-D300 VanDerWaalsContact C-N 3.29Å; Q298-D300 PolarHBondContact O-N 3.36Å | ||
| 301 | S | 53 | Low | 67.9 | Low | 71 Ų | 71 | 98.4 Ų | 98.4 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | trans | -78.4 | 129.8 | 168.8 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | P299 E303 E304 | P299-S301 VanDerWaalsContact C-N 3.31Å; P299-S301 PolarHBondContact O-N 3.48Å; S301-E303 PolarHBondContact O-N 3.45Å; S301-E304 PolarHBondContact O-N 3.28Å | ||
| 302 | E | 52 | Low | 68.9 | Low | 207 Ų | 207 | 102.3 Ų | 102.3 | 97% | 0.967 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 1.6 | 176.2 | 59.4 | -167.7 | 151 | 0 | 0 | 114.9 | ||
| 303 | E | 55.7 | Low | 69.9 | Low | 162 Ų | 162 | 104.1 Ų | 104.1 | 76% | 0.757 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 21.1 | 179.7 | -157.5 | -178.1 | -174.2 | 0 | 0 | 112.6 | S301 | S301-E303 PolarHBondContact O-N 3.45Š|
| 304 | E | 69.6 | Low | 71.1 | Confident | 60 Ų | 60 | 108.2 Ų | 108.2 | 28% | 0.28 | 53% | 0.534 | S | S | . | . | trans | -82.3 | 118.8 | 172.1 | -174.7 | 168.4 | -163.3 | 0 | 0 | 110.8 | S301 E308 A309 R312 | S301-E304 PolarHBondContact O-N 3.28Å; E304-E308 HydrophobicContact CG-CB 4.02Å; E304-A309 HydrophobicContact CG-CB 4.45Å; E304-A309 VanDerWaalsContact OE1-CA 3.27Å; E304-A309 WeakPolarHBondContact OE1-CA 3.45Å; E304-A309 PolarHBondContact OE1-N 3Å; E304-R312 VanDerWaalsContact CD-CZ 3.48Å; E304-R312 VanDerWaalsContact CD-NH1 3.32Å; E304-R312 IonicContact OE1-CZ 2.7Å; E304-R312 IonicContact OE1-NE 2.83Å; E304-R312 IonicContact OE1-NH1 2.94Å; E304-R312 PolarHBondContact OE1-NH1 2.81Å; E304-R312 IonicContact OE1-NH2 2.72Å; E304-R312 PolarHBondContact OE1-NH2 3.08Å; E304-R312 IonicContact OE2-CZ 3.14Å; E304-R312 IonicContact OE2-NH1 3.21Å; E304-R312 PolarHBondContact OE2-NH1 3.38Å; E304-R312 IonicContact OE2-NH2 3.8Å; E304-R312 PolarHBondContact OE2-NH2 3.07Å | ||
| 305 | T | 79 | Confident | 72.1 | Confident | 73 Ų | 73 | 107.3 Ų | 107.3 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | trans | -76.2 | 150.7 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | E307 E308 A309 | T305-E307 PolarHBondContact O-N 3.46Å; T305-E307 VanDerWaalsContact O-N 3.11Å; T305-E308 PolarHBondContact N-OE2 3.45Å; T305-E308 WeakPolarHBondContact O-CB 3.44Å; T305-E308 PolarHBondContact O-N 3Å; T305-E308 VanDerWaalsContact OG1-CG 3.28Å; T305-E308 WeakPolarHBondContact OG1-CG 3.31Å; T305-E308 PolarHBondContact OG1-OE2 3.11Å; T305-E308 VanDerWaalsContact OG1-OE2 3.13Å; T305-A309 PolarHBondContact O-N 3.13Å; T305-A309 VanDerWaalsContact O-N 3.14Å | ||
| 306 | E | 79.9 | Confident | 72.9 | Confident | 166 Ų | 166 | 109 Ų | 109 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.7 | -32.4 | 179.3 | 62.2 | -174.1 | -179.7 | 0 | 0 | 113 | V310 | E306-V310 VanDerWaalsContact O-CG2 3.24Å; E306-V310 WeakPolarHBondContact O-CG2 3.49Å; E306-V310 PolarHBondContact O-N 3.42Å |
| 307 | E | 82 | Confident | 73.8 | Confident | 121 Ų | 121 | 110.2 Ų | 110.2 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.8 | -34.9 | 176.6 | -57.5 | -171.6 | 171.1 | 0 | 0 | 113.2 | T305 V310 R311 | T305-E307 PolarHBondContact O-N 3.46Å; T305-E307 VanDerWaalsContact O-N 3.11Å; E307-V310 PolarHBondContact O-N 3.06Å; E307-R311 WeakPolarHBondContact O-CB 3.34Å; E307-R311 VanDerWaalsContact O-CG 3.3Å; E307-R311 WeakPolarHBondContact O-CG 3.44Å; E307-R311 PolarHBondContact O-N 3.2Å; E307-R311 IonicContact OE2-NH1 3.09Å; E307-R311 PolarHBondContact OE2-NH1 3.06Å; E307-R311 VanDerWaalsContact OE2-NH1 3.12Å; E307-R311 IonicContact OE2-NH2 3.75Å |
| 308 | E | 80.4 | Confident | 74.7 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 175.7 | -73 | 174.1 | 149.4 | 0 | 0 | 111.1 | E304 T305 V310 R311 R312 | E304-E308 HydrophobicContact CG-CB 4.02Å; T305-E308 PolarHBondContact N-OE2 3.45Å; T305-E308 WeakPolarHBondContact O-CB 3.44Å; T305-E308 PolarHBondContact O-N 3Å; T305-E308 VanDerWaalsContact OG1-CG 3.28Å; T305-E308 WeakPolarHBondContact OG1-CG 3.31Å; T305-E308 PolarHBondContact OG1-OE2 3.11Å; T305-E308 VanDerWaalsContact OG1-OE2 3.13Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.14Å; E308-R311 PolarHBondContact O-N 3.26Å; E308-R312 PolarHBondContact O-N 3.06Å |
| 309 | A | 81.6 | Confident | 76 | Confident | 37 Ų | 37 | 104.4 Ų | 104.4 | 31% | 0.306 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E304 T305 R312 V313 | E304-A309 HydrophobicContact CG-CB 4.45Å; E304-A309 VanDerWaalsContact OE1-CA 3.27Å; E304-A309 WeakPolarHBondContact OE1-CA 3.45Å; E304-A309 PolarHBondContact OE1-N 3Å; T305-A309 PolarHBondContact O-N 3.13Å; T305-A309 VanDerWaalsContact O-N 3.14Å; A309-R312 PolarHBondContact O-N 3.43Å; A309-V313 WeakPolarHBondContact O-CG2 3.35Å; A309-V313 PolarHBondContact O-N 2.86Å |
| 310 | V | 85.8 | Confident | 77.3 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | E306 E307 E308 R312 V313 L314 | E306-V310 VanDerWaalsContact O-CG2 3.24Å; E306-V310 WeakPolarHBondContact O-CG2 3.49Å; E306-V310 PolarHBondContact O-N 3.42Å; E307-V310 PolarHBondContact O-N 3.06Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.14Å; V310-R312 VanDerWaalsContact C-N 3.31Å; V310-R312 PolarHBondContact O-N 3.17Å; V310-V313 PolarHBondContact O-N 3.26Å; V310-L314 HydrophobicContact CG1-CD1 3.55Å; V310-L314 WeakPolarHBondContact O-CD1 3.45Å; V310-L314 PolarHBondContact O-N 3.09Å |
| 311 | R | 83.8 | Confident | 79.1 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 176.6 | -76.4 | -176.7 | -72.3 | -98.1 | 7 | 112 | E307 E308 L314 K315 | E307-R311 WeakPolarHBondContact O-CB 3.34Å; E307-R311 VanDerWaalsContact O-CG 3.3Å; E307-R311 WeakPolarHBondContact O-CG 3.44Å; E307-R311 PolarHBondContact O-N 3.2Å; E307-R311 IonicContact OE2-NH1 3.09Å; E307-R311 PolarHBondContact OE2-NH1 3.06Å; E307-R311 VanDerWaalsContact OE2-NH1 3.12Å; E307-R311 IonicContact OE2-NH2 3.75Å; E308-R311 PolarHBondContact O-N 3.26Å; R311-L314 PolarHBondContact O-N 3.22Å; R311-K315 WeakPolarHBondContact O-CB 3.39Å; R311-K315 PolarHBondContact O-N 2.91Å |
| 312 | R | 83.1 | Confident | 80.7 | Confident | 111 Ų | 111 | 100.9 Ų | 100.9 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.7 | -174.6 | -168.5 | -64.6 | 147.2 | -2.7 | 111.7 | E304 E308 A309 V310 L314 K315 Q316 | E304-R312 VanDerWaalsContact CD-CZ 3.48Å; E304-R312 VanDerWaalsContact CD-NH1 3.32Å; E304-R312 IonicContact OE1-CZ 2.7Å; E304-R312 IonicContact OE1-NE 2.83Å; E304-R312 IonicContact OE1-NH1 2.94Å; E304-R312 PolarHBondContact OE1-NH1 2.81Å; E304-R312 IonicContact OE1-NH2 2.72Å; E304-R312 PolarHBondContact OE1-NH2 3.08Å; E304-R312 IonicContact OE2-CZ 3.14Å; E304-R312 IonicContact OE2-NH1 3.21Å; E304-R312 PolarHBondContact OE2-NH1 3.38Å; E304-R312 IonicContact OE2-NH2 3.8Å; E304-R312 PolarHBondContact OE2-NH2 3.07Å; E308-R312 PolarHBondContact O-N 3.06Å; A309-R312 PolarHBondContact O-N 3.43Å; V310-R312 VanDerWaalsContact C-N 3.31Å; V310-R312 PolarHBondContact O-N 3.17Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-L314 PolarHBondContact O-N 3.44Å; R312-K315 PolarHBondContact O-N 3.42Å; R312-Q316 WeakPolarHBondContact O-CB 3.37Å; R312-Q316 PolarHBondContact O-N 3.08Å |
| 313 | V | 85.3 | Confident | 82 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | A309 V310 Q316 L317 | A309-V313 WeakPolarHBondContact O-CG2 3.35Å; A309-V313 PolarHBondContact O-N 2.86Å; V310-V313 PolarHBondContact O-N 3.26Å; V313-Q316 PolarHBondContact O-N 2.82Å; V313-L317 HydrophobicContact CG1-CD1 3.99Å; V313-L317 WeakPolarHBondContact O-CD1 3.34Å; V313-L317 WeakPolarHBondContact O-CG 3.32Å; V313-L317 PolarHBondContact O-N 3.16Å |
| 314 | L | 88.5 | Confident | 83.2 | Confident | 111 Ų | 111 | 93.6 Ų | 93.6 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 173.7 | -92.9 | 101.1 | 0 | 0 | 0 | 112.4 | V310 R311 R312 L317 S318 | V310-L314 HydrophobicContact CG1-CD1 3.55Å; V310-L314 WeakPolarHBondContact O-CD1 3.45Å; V310-L314 PolarHBondContact O-N 3.09Å; R311-L314 PolarHBondContact O-N 3.22Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-L314 PolarHBondContact O-N 3.44Å; L314-L317 PolarHBondContact O-N 2.9Å; L314-S318 WeakPolarHBondContact O-CB 3.36Å; L314-S318 PolarHBondContact O-N 3.38Å; L314-S318 PolarHBondContact O-OG 3.5Å |
| 315 | K | 86.6 | Confident | 83.9 | Confident | 84 Ų | 84 | 98 Ų | 98 | 37% | 0.365 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 177.4 | -177.2 | 174.1 | 173.2 | 177.5 | 0 | 110.7 | D295 R311 R312 L317 S318 E319 | D295-K315 VanDerWaalsContact CG-NZ 3.26Å; D295-K315 IonicContact OD1-NZ 3.95Å; D295-K315 PolarHBondContact OD1-NZ 3.3Å; D295-K315 IonicContact OD2-NZ 2.71Å; D295-K315 PolarHBondContact OD2-NZ 2.92Å; D295-K315 VanDerWaalsContact OD2-NZ 3.14Å; R311-K315 WeakPolarHBondContact O-CB 3.39Å; R311-K315 PolarHBondContact O-N 2.91Å; R312-K315 PolarHBondContact O-N 3.42Å; K315-L317 PolarHBondContact O-N 3.41Å; K315-S318 PolarHBondContact O-N 3.16Å; K315-S318 VanDerWaalsContact O-N 3.13Å; K315-S318 PolarHBondContact O-OG 3.32Å; K315-E319 WeakPolarHBondContact CE-OE1 3.37Å; K315-E319 WeakPolarHBondContact CG-OE1 3.37Å; K315-E319 WeakPolarHBondContact O-CG 3.42Å; K315-E319 PolarHBondContact O-N 3.39Å |
| 316 | Q | 83.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.1 | -48.2 | 177.2 | -176.9 | 179.5 | -15.2 | 0 | 0 | 112.1 | R312 V313 S318 E319 E320 | R312-Q316 WeakPolarHBondContact O-CB 3.37Å; R312-Q316 PolarHBondContact O-N 3.08Å; V313-Q316 PolarHBondContact O-N 2.82Å; Q316-S318 VanDerWaalsContact C-N 3.29Å; Q316-S318 PolarHBondContact O-N 3.45Å; Q316-E319 PolarHBondContact O-N 3.11Å; Q316-E320 WeakPolarHBondContact O-CB 3.17Å; Q316-E320 PolarHBondContact O-N 3.42Å |
| 317 | L | 89 | Confident | 83.8 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 177.2 | -75 | 163.1 | 0 | 0 | 0 | 112.3 | V313 L314 K315 A321 | V313-L317 HydrophobicContact CG1-CD1 3.99Å; V313-L317 WeakPolarHBondContact O-CD1 3.34Å; V313-L317 WeakPolarHBondContact O-CG 3.32Å; V313-L317 PolarHBondContact O-N 3.16Å; L314-L317 PolarHBondContact O-N 2.9Å; K315-L317 PolarHBondContact O-N 3.41Å; L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 3.43Å |
| 318 | S | 87.5 | Confident | 83.1 | Confident | 72 Ų | 72 | 91.2 Ų | 91.2 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -37.7 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 113 | L314 K315 Q316 A322 | L314-S318 WeakPolarHBondContact O-CB 3.36Å; L314-S318 PolarHBondContact O-N 3.38Å; L314-S318 PolarHBondContact O-OG 3.5Å; K315-S318 PolarHBondContact O-N 3.16Å; K315-S318 VanDerWaalsContact O-N 3.13Å; K315-S318 PolarHBondContact O-OG 3.32Å; Q316-S318 VanDerWaalsContact C-N 3.29Å; Q316-S318 PolarHBondContact O-N 3.45Å; S318-A322 PolarHBondContact O-N 2.9Å; S318-A322 VanDerWaalsContact O-N 3.1Å |
| 319 | E | 86.1 | Confident | 82.3 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 175.9 | -72.4 | 175.6 | -172.9 | 0 | 0 | 111.2 | K315 Q316 A322 L323 | K315-E319 WeakPolarHBondContact CE-OE1 3.37Å; K315-E319 WeakPolarHBondContact CG-OE1 3.37Å; K315-E319 WeakPolarHBondContact O-CG 3.42Å; K315-E319 PolarHBondContact O-N 3.39Å; Q316-E319 PolarHBondContact O-N 3.11Å; E319-A322 PolarHBondContact O-N 3.45Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 VanDerWaalsContact O-CG 3.3Å; E319-L323 WeakPolarHBondContact O-CG 3.44Å; E319-L323 PolarHBondContact O-N 3.13Å |
| 320 | E | 82.6 | Confident | 81.3 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 48% | 0.477 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 173.8 | -173.2 | 174.1 | 173.1 | 0 | 0 | 111.2 | Q316 A322 L323 D324 | Q316-E320 WeakPolarHBondContact O-CB 3.17Å; Q316-E320 PolarHBondContact O-N 3.42Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.49Å; E320-L323 PolarHBondContact O-N 3.04Å; E320-D324 WeakPolarHBondContact O-CB 3.21Å; E320-D324 PolarHBondContact O-N 2.86Å |
| 321 | A | 86.3 | Confident | 80 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.2 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L317 D324 E325 | L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 3.43Å; A321-D324 PolarHBondContact O-N 3.37Å; A321-E325 PolarHBondContact O-N 3.03Å |
| 322 | A | 86.9 | Confident | 78.7 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.2 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S318 E319 E320 A326 | S318-A322 PolarHBondContact O-N 2.9Å; S318-A322 VanDerWaalsContact O-N 3.1Å; E319-A322 PolarHBondContact O-N 3.45Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.49Å; A322-A326 VanDerWaalsContact O-CB 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.27Å; A322-A326 PolarHBondContact O-N 3.33Å |
| 323 | L | 78.6 | Confident | 77.4 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 63% | 0.634 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.6 | -41.6 | 174.5 | -74.1 | 173 | 0 | 0 | 0 | 111.2 | E319 E320 A326 S327 | E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 VanDerWaalsContact O-CG 3.3Å; E319-L323 WeakPolarHBondContact O-CG 3.44Å; E319-L323 PolarHBondContact O-N 3.13Å; E320-L323 PolarHBondContact O-N 3.04Å; L323-A326 PolarHBondContact O-N 3.39Å; L323-S327 WeakPolarHBondContact O-CB 3.5Å; L323-S327 PolarHBondContact O-N 3.16Å |
| 324 | D | 80.8 | Confident | 75.5 | Confident | 94 Ų | 94 | 107.2 Ų | 107.2 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.9 | -44.4 | 176.1 | -82.3 | -0.1 | 0 | 0 | 0 | 111.5 | E320 A321 S327 | E320-D324 WeakPolarHBondContact O-CB 3.21Å; E320-D324 PolarHBondContact O-N 2.86Å; A321-D324 PolarHBondContact O-N 3.37Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-OG 3.11Å |
| 325 | E | 83.6 | Confident | 73.6 | Confident | 154 Ų | 154 | 109.8 Ų | 109.8 | 72% | 0.72 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.4 | -44.2 | 174.7 | -172.4 | 176.8 | 177.8 | 0 | 0 | 111.9 | A321 | A321-E325 PolarHBondContact O-N 3.03Å |
| 326 | A | 80.8 | Confident | 71.7 | Confident | 87 Ų | 87 | 110.7 Ų | 110.7 | 72% | 0.719 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.3 | -26.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A322 L323 G328 | A322-A326 VanDerWaalsContact O-CB 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.27Å; A322-A326 PolarHBondContact O-N 3.33Å; L323-A326 PolarHBondContact O-N 3.39Å; A326-G328 PolarHBondContact O-N 3.36Å |
| 327 | S | 77.1 | Confident | 69.7 | Low | 63 Ų | 63 | 107.2 Ų | 107.2 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.6 | -17.2 | -178.1 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | L323 D324 Y329 | L323-S327 WeakPolarHBondContact O-CB 3.5Å; L323-S327 PolarHBondContact O-N 3.16Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-OG 3.11Å; S327-Y329 PolarHBondContact O-N 3.34Å; S327-Y329 VanDerWaalsContact O-N 3.16Å; S327-Y329 PolarHBondContact OG-N 3.49Å |
| 328 | G | 68.1 | Low | 67.3 | Low | 67 Ų | 67 | 108.8 Ų | 108.8 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 68.6 | 4.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A326 N330 | A326-G328 PolarHBondContact O-N 3.36Å; G328-N330 VanDerWaalsContact C-N 3.3Å; G328-N330 PolarHBondContact O-N 2.99Å |
| 329 | Y | 62.5 | Low | 64.9 | Low | 200 Ų | 200 | 116.3 Ų | 116.3 | 78% | 0.784 | 65% | 0.645 | S | S | * | * | trans | -96.1 | 41.2 | 174 | -89.4 | -90.4 | 0 | 0 | 0 | 111.6 | S327 I331 | S327-Y329 PolarHBondContact O-N 3.34Å; S327-Y329 VanDerWaalsContact O-N 3.16Å; S327-Y329 PolarHBondContact OG-N 3.49Å; Y329-I331 VanDerWaalsContact C-N 3.33Å; Y329-I331 PolarHBondContact O-N 2.97Å | ||
| 330 | N | 61 | Low | 62.6 | Low | 120 Ų | 120 | 118.9 Ų | 118.9 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | trans | -73.3 | 92.5 | 172.4 | -150.1 | -25.3 | 0 | 0 | 0 | 107.7 | G328 P332 | G328-N330 VanDerWaalsContact C-N 3.3Å; G328-N330 PolarHBondContact O-N 2.99Å; N330-P332 WeakPolarHBondContact O-CD 3.47Å; N330-P332 VanDerWaalsContact O-N 3.12Å | ||
| 331 | I | 59.1 | Low | 60.5 | Low | 140 Ų | 140 | 123.4 Ų | 123.4 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -61.7 | 113.9 | 169.9 | -60.2 | 174.8 | 0 | 0 | 0 | 105 | Y329 I333 | Y329-I331 VanDerWaalsContact C-N 3.33Å; Y329-I331 PolarHBondContact O-N 2.97Å; I331-I333 PolarHBondContact O-N 3.43Å | ||
| 332 | P | 54.6 | Low | 58.2 | Low | 101 Ų | 101 | 128.8 Ų | 128.8 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | trans | -55.3 | 125 | 175.5 | -20.8 | 32.8 | 0 | 0 | 0 | 107 | N330 E334 | N330-P332 WeakPolarHBondContact O-CD 3.47Å; N330-P332 VanDerWaalsContact O-N 3.12Å; P332-E334 PolarHBondContact O-N 3.48Å | ||
| 333 | I | 56.3 | Low | 55.7 | Low | 139 Ų | 139 | 134 Ų | 134 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | -55.5 | 101.8 | 160.7 | -81.5 | 167.5 | 0 | 0 | 0 | 104.8 | I331 H335 | I331-I333 PolarHBondContact O-N 3.43Å; I333-H335 PolarHBondContact O-N 3.33Å | ||
| 334 | E | 46.4 | Very low | 53.5 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | -55.5 | 96.7 | 163.9 | -80.6 | -92.5 | 145.4 | 0 | 0 | 104.3 | P332 S336 | P332-E334 PolarHBondContact O-N 3.48Å; E334-S336 PolarHBondContact O-N 3.42Å | ||
| 335 | H | 47.3 | Very low | 51.2 | Low | 166 Ų | 166 | 143.1 Ų | 143.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -67.3 | 62.3 | 160.5 | -77.3 | -78.8 | 0 | 0 | 0 | 107.8 | I333 G337 | I333-H335 PolarHBondContact O-N 3.33Å; H335-G337 PolarHBondContact O-N 2.87Å | ||
| 336 | S | 47.2 | Very low | 48.7 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -79.2 | 57.4 | 160.1 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | E334 | E334-S336 PolarHBondContact O-N 3.42Š| ||
| 337 | G | 40.9 | Very low | 46.2 | Very low | 45 Ų | 45 | 143.3 Ų | 143.3 | 46% | 0.464 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -96.9 | 137.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | H335 R339 | H335-G337 PolarHBondContact O-N 2.87Å; G337-R339 PolarHBondContact O-N 2.96Å |
| 338 | P | 40.2 | Very low | 44.1 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -63.5 | 97.5 | -177.1 | 24.7 | -31.8 | 0 | 0 | 0 | 110.5 | N340 | P338-N340 PolarHBondContact O-N 3.35Š| ||
| 339 | R | 36.4 | Very low | 42.3 | Very low | 229 Ų | 229 | 156.7 Ų | 156.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -71 | 98.3 | 169.2 | -83.6 | 175.2 | 71.9 | -165.7 | 6.8 | 108.6 | G337 R341 | G337-R339 PolarHBondContact O-N 2.96Å; R339-R341 PolarHBondContact O-N 3.39Å | ||
| 340 | N | 37.4 | Very low | 41.1 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -58 | 100.6 | 169.2 | -145.6 | -16.5 | 0 | 0 | 0 | 109.1 | P338 E342 | P338-N340 PolarHBondContact O-N 3.35Å; N340-E342 PolarHBondContact O-N 3.19Å | ||
| 341 | R | 39.9 | Very low | 39.6 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -84 | 91.3 | 171.1 | -75.6 | 177.5 | 90.4 | 176.7 | 9.4 | 108.3 | R339 K343 | R339-R341 PolarHBondContact O-N 3.39Å; R341-K343 PolarHBondContact O-N 3.07Å; R341-K343 VanDerWaalsContact O-N 3.09Å | ||
| 342 | E | 36.3 | Very low | 38.4 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -66.8 | 104.2 | 161.1 | -83.4 | -171.9 | 111.2 | 0 | 0 | 109.5 | N340 | N340-E342 PolarHBondContact O-N 3.19Š| ||
| 343 | K | 35.2 | Very low | 37.2 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -117.4 | 100.7 | 156.1 | -77 | -171.6 | 176.1 | -176.3 | 0 | 108.4 | R341 K345 | R341-K343 PolarHBondContact O-N 3.07Å; R341-K343 VanDerWaalsContact O-N 3.09Å; K343-K345 PolarHBondContact O-N 2.99Å | ||
| 344 | K | 33.2 | Very low | 36.3 | Very low | 202 Ų | 202 | 150 Ų | 150 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -52 | 118.5 | 165.4 | -82.6 | 174.9 | 174.1 | 170.3 | 0 | 109.8 | ||||
| 345 | K | 31.5 | Very low | 35.5 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -123.6 | 134.2 | 153.8 | -77.6 | -169.6 | 178.7 | -177.1 | 0 | 109 | K343 | K343-K345 PolarHBondContact O-N 2.99Š| ||
| 346 | T | 30.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -71.4 | 137 | -172.1 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 347 | S | 28.9 | Very low | 33.6 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -8.5 | 134.3 | 161.3 | -51.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 348 | K | 32.6 | Very low | 33.1 | Very low | 212 Ų | 212 | 154.9 Ų | 154.9 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | -177.3 | 136.2 | 102.6 | -90.6 | 166 | -174.1 | -178 | 0 | 112.5 | |||||
| 349 | K | 30.7 | Very low | 33 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -58.6 | -179.7 | 177 | -114.6 | 179.7 | 173.3 | 177.4 | 0 | 114.6 | ||||
| 350 | P | 37.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | cis | -136.9 | 170.3 | -7.6 | 28.5 | -4.5 | 0 | 0 | 0 | 117.4 | ||||
| 351 | T | 28.9 | Very low | 32.7 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -45.9 | 163.9 | 162.1 | 49.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 352 | P | 33.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -138.4 | 152.3 | 72.9 | 31.3 | -10.5 | 0 | 0 | 0 | 117.1 | |||||
| 353 | A | 30.5 | Very low | 32 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -71.9 | 179 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 354 | P | 38.3 | Very low | 32 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | -141.3 | -179.9 | 51.2 | 39.6 | -17 | 0 | 0 | 0 | 112.4 | |||||
| 355 | T | 27.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | cis | -175.8 | 138 | 46.6 | -0.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 356 | S | 30.2 | Very low | 32.2 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | trans | 43.4 | 112.6 | 135.3 | 62.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 357 | W | 25.9 | Very low | 32.5 | Very low | 242 Ų | 242 | 130.7 Ų | 130.7 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | 84 | 117 | 85.6 | -71.6 | 5.5 | 0 | 0 | 0 | 113.6 | |||||
| 358 | T | 29.4 | Very low | 32.7 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | 162.3 | 124.8 | 103.9 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 359 | S | 38.4 | Very low | 33 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -89.6 | 160.4 | 151.3 | -48.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 360 | P | 40.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -153.4 | 172.5 | 57.6 | 38.4 | -15.4 | 0 | 0 | 0 | 118.1 | |||||
| 361 | A | 28 | Very low | 33.7 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 70.3 | 105.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 362 | A | 29.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | -171.3 | 95.9 | 118.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A364 | A362-A364 PolarHBondContact O-N 3.27Š| |||
| 363 | A | 31.3 | Very low | 35.6 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | -72.3 | 94.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 364 | A | 34.6 | Very low | 37.3 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | -78.1 | 126.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107 | A362 E366 | A362-A364 PolarHBondContact O-N 3.27Å; A364-E366 PolarHBondContact O-N 3.43Å | ||
| 365 | H | 37.4 | Very low | 38.9 | Very low | 195 Ų | 195 | 124.2 Ų | 124.2 | 90% | 0.903 | 73% | 0.733 | S | S | * | * | trans | -62.1 | 98 | 170.4 | -113 | -92.4 | 0 | 0 | 0 | 108.7 | ||||
| 366 | E | 31.8 | Very low | 41.6 | Very low | 160 Ų | 160 | 121 Ų | 121 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -84.1 | 128.9 | 159.5 | -75.6 | -71.9 | 128.3 | 0 | 0 | 107.4 | A364 S368 | A364-E366 PolarHBondContact O-N 3.43Å; E366-S368 PolarHBondContact O-N 2.99Å; E366-S368 VanDerWaalsContact O-N 3.12Å | ||
| 367 | P | 37.7 | Very low | 44.3 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | trans | -67.8 | 113.9 | 172.6 | 27.6 | -29.8 | 0 | 0 | 0 | 108.4 | D369 | P367-D369 PolarHBondContact O-N 3.49Å; P367-D369 VanDerWaalsContact O-N 3.14Å | ||
| 368 | S | 32.5 | Very low | 47.3 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | trans | -53.9 | 114.2 | 170.7 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | E366 S370 | E366-S368 PolarHBondContact O-N 2.99Å; E366-S368 VanDerWaalsContact O-N 3.12Å; S368-S370 PolarHBondContact O-N 3.38Å | ||
| 369 | D | 38.9 | Very low | 49.9 | Very low | 161 Ų | 161 | 107.6 Ų | 107.6 | 86% | 0.861 | 64% | 0.644 | S | S | * | * | trans | -68.3 | 78.2 | 168.1 | -163.4 | 26.9 | 0 | 0 | 0 | 108.1 | P367 | P367-D369 PolarHBondContact O-N 3.49Å; P367-D369 VanDerWaalsContact O-N 3.14Å | ||
| 370 | S | 37.5 | Very low | 52.2 | Low | 79 Ų | 79 | 106.9 Ų | 106.9 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | trans | -93.5 | 100.6 | 167.8 | -154.5 | 0 | 0 | 0 | 0 | 107 | S368 D372 | S368-S370 PolarHBondContact O-N 3.38Å; S370-D372 PolarHBondContact O-N 2.89Å; S370-D372 PolarHBondContact OG-OD2 3.35Å | ||
| 371 | D | 45.5 | Very low | 54.5 | Low | 144 Ų | 144 | 103.2 Ų | 103.2 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | trans | -74.4 | 49 | 177.3 | -162.9 | 23.4 | 0 | 0 | 0 | 110.8 | ||||
| 372 | D | 43.3 | Very low | 57.2 | Low | 122 Ų | 122 | 104.1 Ų | 104.1 | 65% | 0.652 | 60% | 0.598 | S | S | * | * | trans | -78.9 | 120.1 | 167.2 | -68.2 | -72 | 0 | 0 | 0 | 107.4 | S370 E374 | S370-D372 PolarHBondContact O-N 2.89Å; S370-D372 PolarHBondContact OG-OD2 3.35Å; D372-E374 PolarHBondContact O-N 3.12Å | ||
| 373 | E | 58.7 | Low | 59.8 | Low | 160 Ų | 160 | 105.3 Ų | 105.3 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | trans | -52.1 | 84.4 | -168.6 | -78.3 | 92.2 | 175.6 | 0 | 0 | 115.2 | L375 | E373-L375 PolarHBondContact O-N 2.98Š| ||
| 374 | E | 66.7 | Low | 62.3 | Low | 72 Ų | 72 | 106.7 Ų | 106.7 | 34% | 0.336 | 58% | 0.58 | S | S | . | * | trans | -65.6 | 104.5 | 170.3 | -169.5 | -167.4 | -163.3 | 0 | 0 | 109.2 | D372 R388 L396 Y419 | D372-E374 PolarHBondContact O-N 3.12Å; E374-R388 IonicContact OE1-CZ 3.63Å; E374-R388 IonicContact OE1-NE 2.98Å; E374-R388 PolarHBondContact OE1-NE 3.42Å; E374-R388 IonicContact OE1-NH2 2.62Å; E374-R388 PolarHBondContact OE1-NH2 3.32Å; E374-R388 IonicContact OE2-CZ 2.8Å; E374-R388 IonicContact OE2-NH2 3.86Å; E374-R388 PolarHBondContact OE2-NH2 3.23Å; E374-L396 HydrophobicContact CG-CD1 3.61Å; E374-L396 HydrophobicContact CG-CG 4.23Å; E374-L396 WeakPolarHBondContact OE1-CD1 3.46Å; E374-L396 WeakPolarHBondContact OE1-CD2 3.23Å; E374-L396 WeakPolarHBondContact OE1-CG 3.45Å; E374-Y419 VanDerWaalsContact OE2-CE2 3.23Å; E374-Y419 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 375 | L | 71.4 | Confident | 64.8 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | trans | -66.2 | 124.5 | -175.2 | -62.7 | 168.4 | 0 | 0 | 0 | 110 | E373 W377 L396 | E373-L375 PolarHBondContact O-N 2.98Å; L375-W377 HydrophobicContact CB-CD2 4.1Å; L375-W377 HydrophobicContact CB-CG 4.34Å; L375-W377 HydrophobicContact CB-CZ2 3.92Å; L375-W377 HydrophobicContact CD1-CZ2 3.75Å; L375-W377 HydrophobicContact CD2-CH2 3.93Å; L375-W377 HydrophobicContact CD2-CZ2 3.52Å; L375-W377 HydrophobicContact CG-CZ2 3.91Å; L375-W377 PolarHBondContact O-N 3.24Å; L375-L396 WeakPolarHBondContact O-CD1 3.37Å | ||
| 376 | P | 84.3 | Confident | 67.2 | Low | 52 Ų | 52 | 96.8 Ų | 96.8 | 34% | 0.338 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -73.9 | 17.3 | -168.3 | 31.2 | -37.6 | 0 | 0 | 0 | 114.6 | A385 Y419 A421 | P376-A385 PolarHBondContact O-N 2.97Å; P376-A385 VanDerWaalsContact O-N 3.1Å; P376-Y419 HydrophobicContact CB-CE1 4.44Å; P376-A421 HydrophobicContact CB-CB 3.78Å |
| 377 | W | 86.9 | Confident | 69.9 | Low | 115 Ų | 115 | 91 Ų | 91 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -117.4 | 155.4 | -175.4 | 50.5 | 60.3 | 0 | 0 | 0 | 112.3 | L375 C379 Q383 | L375-W377 HydrophobicContact CB-CD2 4.1Å; L375-W377 HydrophobicContact CB-CG 4.34Å; L375-W377 HydrophobicContact CB-CZ2 3.92Å; L375-W377 HydrophobicContact CD1-CZ2 3.75Å; L375-W377 HydrophobicContact CD2-CH2 3.93Å; L375-W377 HydrophobicContact CD2-CZ2 3.52Å; L375-W377 HydrophobicContact CG-CZ2 3.91Å; L375-W377 PolarHBondContact O-N 3.24Å; W377-C379 PolarHBondContact O-N 3.18Å; W377-Q383 CarbonylContact C-O 3.57Å; W377-Q383 WeakPolarHBondContact CA-O 3.38Å |
| 378 | C | 89.5 | Confident | 72.4 | Confident | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 48% | 0.479 | C | S | . | . | trans | -64.3 | 125.5 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 110 | I380 C381 N382 Q383 L396 C398 | C378-I380 PolarHBondContact O-N 3.02Å; C378-I380 VanDerWaalsContact O-N 3.08Å; C378-C381 PolarHBondContact O-N 2.92Å; C378-C381 VanDerWaalsContact SG-SG 3.66Å; C378-N382 WeakPolarHBondContact O-CA 3.43Å; C378-N382 PolarHBondContact O-N 3Å; C378-Q383 WeakPolarHBondContact CB-O 3.29Å; C378-Q383 PolarHBondContact N-O 3.2Å; C378-L396 CarbonylContact C-O 3.15Å; C378-L396 VanDerWaalsContact CA-O 3.26Å; C378-L396 WeakPolarHBondContact CA-O 3.21Å; C378-C398 HydrophobicContact CB-CB 3.87Å; C378-C398 VanDerWaalsContact CB-N 3.3Å; C378-C398 PolarHBondContact SG-N 2.97Å | ||
| 379 | C | 83.8 | Confident | 75 | Confident | 64 Ų | 64 | 84 Ų | 84 | 43% | 0.432 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.9 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 114.6 | W377 L396 Y397 | W377-C379 PolarHBondContact O-N 3.18Å; C379-L396 PolarHBondContact N-O 3.46Å; C379-L396 PolarHBondContact SG-O 2.8Å; C379-Y397 WeakPolarHBondContact SG-CE1 3.16Å |
| 380 | I | 86.6 | Confident | 77.1 | Confident | 98 Ų | 98 | 80.7 Ų | 80.7 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -38 | 179.9 | -63.7 | 176.2 | 0 | 0 | 0 | 112.5 | C378 Y397 C401 | C378-I380 PolarHBondContact O-N 3.02Å; C378-I380 VanDerWaalsContact O-N 3.08Å; I380-Y397 HydrophobicContact CD1-CD1 3.76Å; I380-Y397 HydrophobicContact CD1-CE1 3.61Å; I380-Y397 HydrophobicContact CG1-CD1 4.14Å; I380-Y397 HydrophobicContact CG1-CE1 3.97Å; I380-C401 HydrophobicContact CB-CB 3.81Å; I380-C401 HydrophobicContact CD1-CB 3.83Å; I380-C401 HydrophobicContact CG1-CB 4.31Å; I380-C401 HydrophobicContact CG2-CB 4Å |
| 381 | C | 88.8 | Confident | 79.1 | Confident | 45 Ų | 45 | 80 Ų | 80 | 30% | 0.304 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 2.9 | -169.2 | 68.8 | 0 | 0 | 0 | 0 | 115 | C378 Q383 C401 | C378-C381 PolarHBondContact O-N 2.92Å; C378-C381 VanDerWaalsContact SG-SG 3.66Å; C381-Q383 HydrophobicContact CB-CG 4.48Å; C381-Q383 PolarHBondContact O-N 2.9Å; C381-C401 PolarHBondContact SG-SG 3.29Å |
| 382 | N | 84.6 | Confident | 80.8 | Confident | 116 Ų | 116 | 74 Ų | 74 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | trans | 55.4 | 13.4 | -178.2 | -58.7 | -14.2 | 0 | 0 | 0 | 115.1 | C378 | C378-N382 WeakPolarHBondContact O-CA 3.43Å; C378-N382 PolarHBondContact O-N 3Å | ||
| 383 | Q | 83.3 | Confident | 82.6 | Confident | 123 Ų | 123 | 76 Ų | 76 | 58% | 0.575 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -80.7 | 163.4 | 170.2 | -62.5 | -179.1 | -1.9 | 0 | 0 | 110.4 | W377 C378 C381 A385 | W377-Q383 CarbonylContact C-O 3.57Å; W377-Q383 WeakPolarHBondContact CA-O 3.38Å; C378-Q383 WeakPolarHBondContact CB-O 3.29Å; C378-Q383 PolarHBondContact N-O 3.2Å; C381-Q383 HydrophobicContact CB-CG 4.48Å; C381-Q383 PolarHBondContact O-N 2.9Å; Q383-A385 PolarHBondContact O-N 2.9Å |
| 384 | N | 84.3 | Confident | 83.6 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | B | Isolated β-bridge | trans | -49.8 | 126.4 | 179.9 | -63.3 | -50.8 | 0 | 0 | 0 | 112.4 | ||
| 385 | A | 88.2 | Confident | 84.6 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 141.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P376 Q383 L396 Y419 | P376-A385 PolarHBondContact O-N 2.97Å; P376-A385 VanDerWaalsContact O-N 3.1Å; Q383-A385 PolarHBondContact O-N 2.9Å; A385-L396 HydrophobicContact CB-CB 3.63Å; A385-L396 HydrophobicContact CB-CD1 4.12Å; A385-L396 HydrophobicContact CB-CD2 4.25Å; A385-L396 HydrophobicContact CB-CG 4.23Å; A385-Y419 HydrophobicContact CB-CD1 4Å; A385-Y419 HydrophobicContact CB-CE1 4.39Å |
| 386 | T | 87.8 | Confident | 85.4 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -121.5 | -17.8 | 180 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | Y397 S399 Y419 | T386-Y397 PolarHBondContact N-O 2.73Å; T386-Y397 PolarHBondContact OG1-O 3.14Å; T386-S399 PolarHBondContact OG1-N 2.91Å; T386-S399 VanDerWaalsContact OG1-N 3.12Å; T386-S399 PolarHBondContact OG1-OG 3.47Å; T386-Y419 PolarHBondContact O-N 3.41Å | ||
| 387 | L | 88.2 | Confident | 85.7 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.6 | -171.9 | -62.1 | 162.6 | 0 | 0 | 0 | 108.5 | Y397 F402 S417 | L387-Y397 PolarHBondContact N-O 2.9Å; L387-Y397 VanDerWaalsContact N-O 3.09Å; L387-Y397 PolarHBondContact O-N 3.43Å; L387-F402 HydrophobicContact CD1-CB 4.42Å; L387-F402 HydrophobicContact CD1-CD1 4.36Å; L387-F402 HydrophobicContact CD1-CG 4.49Å; L387-S417 CarbonylContact C-O 3.6Å; L387-S417 WeakPolarHBondContact CA-O 3.28Å |
| 388 | R | 88.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.7 | 167.9 | -167.2 | -173.8 | -76.6 | -176.3 | 9.6 | 108.8 | E374 G394 D395 L396 T416 S417 | E374-R388 IonicContact OE1-CZ 3.63Å; E374-R388 IonicContact OE1-NE 2.98Å; E374-R388 PolarHBondContact OE1-NE 3.42Å; E374-R388 IonicContact OE1-NH2 2.62Å; E374-R388 PolarHBondContact OE1-NH2 3.32Å; E374-R388 IonicContact OE2-CZ 2.8Å; E374-R388 IonicContact OE2-NH2 3.86Å; E374-R388 PolarHBondContact OE2-NH2 3.23Å; R388-G394 WeakPolarHBondContact CD-O 3.49Å; R388-G394 WeakPolarHBondContact CG-O 3.42Å; R388-D395 WeakPolarHBondContact CA-O 3.37Å; R388-L396 HydrophobicContact CB-CD2 3.84Å; R388-L396 HydrophobicContact CG-CD2 4Å; R388-T416 CarbonylContact O-C 3.52Å; R388-T416 WeakPolarHBondContact O-CA 3.13Å; R388-T416 WeakPolarHBondContact O-CB 3.21Å; R388-S417 PolarHBondContact N-O 3.46Å; R388-S417 PolarHBondContact O-N 3.43Å |
| 389 | C | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.2 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | T391 C392 G394 D395 Y397 F402 T416 | C389-T391 VanDerWaalsContact C-N 3.3Å; C389-T391 PolarHBondContact O-N 2.82Å; C389-T391 PolarHBondContact SG-OG1 3.12Å; C389-C392 HydrophobicContact CB-CB 4.02Å; C389-C392 PolarHBondContact O-N 3.46Å; C389-G394 CarbonylContact O-C 3.45Å; C389-G394 WeakPolarHBondContact O-CA 3.13Å; C389-G394 PolarHBondContact O-N 3.43Å; C389-D395 PolarHBondContact N-O 3.12Å; C389-D395 PolarHBondContact O-N 3.02Å; C389-Y397 HydrophobicContact CB-CD2 4Å; C389-Y397 HydrophobicContact CB-CE2 3.75Å; C389-F402 HydrophobicContact CB-CD2 4.49Å; C389-F402 HydrophobicContact CB-CE2 3.94Å; C389-T416 HydrophobicContact CB-CG2 4.09Å |
| 390 | H | 83.6 | Confident | 85.7 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15.3 | -176.7 | -68.1 | -74.7 | 0 | 0 | 0 | 114.1 | H415 S417 | H390-H415 HydrophobicContact CB-CB 4.5Å; H390-H415 AromaticContact CD2-CD2 3.63Å; H390-H415 PolarHBondContact N-O 2.98Å; H390-S417 VanDerWaalsContact NE2-CB 3.35Å; H390-S417 WeakPolarHBondContact NE2-CB 3.39Å; H390-S417 PolarHBondContact NE2-OG 3.14Å |
| 391 | T | 79.4 | Confident | 85.7 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -8.6 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 113 | C389 E413 H414 H415 | C389-T391 VanDerWaalsContact C-N 3.3Å; C389-T391 PolarHBondContact O-N 2.82Å; C389-T391 PolarHBondContact SG-OG1 3.12Å; T391-E413 WeakPolarHBondContact CG2-O 3.3Å; T391-H414 WeakPolarHBondContact OG1-CA 3.37Å; T391-H414 VanDerWaalsContact OG1-CB 3.22Å; T391-H414 WeakPolarHBondContact OG1-CB 3.45Å; T391-H414 PolarHBondContact OG1-ND1 3.35Å; T391-H415 HydrophobicContact CG2-CB 4.33Å |
| 392 | C | 79.7 | Confident | 85.5 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 54.1 | 167.7 | -59 | 0 | 0 | 0 | 0 | 108.2 | C389 G394 D395 Y397 H406 H414 | C389-C392 HydrophobicContact CB-CB 4.02Å; C389-C392 PolarHBondContact O-N 3.46Å; C392-G394 PolarHBondContact O-N 2.99Å; C392-D395 HydrophobicContact CB-CB 4.43Å; C392-D395 VanDerWaalsContact O-CB 3.26Å; C392-D395 WeakPolarHBondContact O-CB 3.5Å; C392-D395 PolarHBondContact O-N 2.71Å; C392-Y397 HydrophobicContact CB-CE2 4.34Å; C392-H406 PolarHBondContact SG-CE1 3.25Å; C392-H414 PolarHBondContact SG-CE1 3.26Å; C392-H414 PolarHBondContact SG-ND1 2.72Å |
| 393 | D | 81 | Confident | 85.3 | Confident | 163 Ų | 163 | 64.2 Ų | 64.2 | 87% | 0.872 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 23.5 | 175.3 | -59 | -33.5 | 0 | 0 | 0 | 116.5 | ||
| 394 | G | 79.6 | Confident | 85.3 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 16.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R388 C389 C392 | R388-G394 WeakPolarHBondContact CD-O 3.49Å; R388-G394 WeakPolarHBondContact CG-O 3.42Å; C389-G394 CarbonylContact O-C 3.45Å; C389-G394 WeakPolarHBondContact O-CA 3.13Å; C389-G394 PolarHBondContact O-N 3.43Å; C392-G394 PolarHBondContact O-N 2.99Å |
| 395 | D | 87.8 | Confident | 84.8 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 145.7 | -179.2 | -82.8 | -13.2 | 0 | 0 | 0 | 113.3 | R388 C389 C392 Y397 | R388-D395 WeakPolarHBondContact CA-O 3.37Å; C389-D395 PolarHBondContact N-O 3.12Å; C389-D395 PolarHBondContact O-N 3.02Å; C392-D395 HydrophobicContact CB-CB 4.43Å; C392-D395 VanDerWaalsContact O-CB 3.26Å; C392-D395 WeakPolarHBondContact O-CB 3.5Å; C392-D395 PolarHBondContact O-N 2.71Å; D395-Y397 HydrophobicContact CB-CD2 4.29Å; D395-Y397 HydrophobicContact CB-CE2 3.42Å; D395-Y397 VanDerWaalsContact CB-CE2 3.42Å; D395-Y397 WeakPolarHBondContact O-CD2 3.22Å; D395-Y397 WeakPolarHBondContact O-CE2 3.27Å; D395-Y397 PolarHBondContact OD2-OH 2.77Å |
| 396 | L | 89.8 | Confident | 84 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.5 | -179.4 | -74.5 | -175.5 | 0 | 0 | 0 | 111.9 | E374 L375 C378 C379 A385 R388 Y419 | E374-L396 HydrophobicContact CG-CD1 3.61Å; E374-L396 HydrophobicContact CG-CG 4.23Å; E374-L396 WeakPolarHBondContact OE1-CD1 3.46Å; E374-L396 WeakPolarHBondContact OE1-CD2 3.23Å; E374-L396 WeakPolarHBondContact OE1-CG 3.45Å; L375-L396 WeakPolarHBondContact O-CD1 3.37Å; C378-L396 CarbonylContact C-O 3.15Å; C378-L396 VanDerWaalsContact CA-O 3.26Å; C378-L396 WeakPolarHBondContact CA-O 3.21Å; C379-L396 PolarHBondContact N-O 3.46Å; C379-L396 PolarHBondContact SG-O 2.8Å; A385-L396 HydrophobicContact CB-CB 3.63Å; A385-L396 HydrophobicContact CB-CD1 4.12Å; A385-L396 HydrophobicContact CB-CD2 4.25Å; A385-L396 HydrophobicContact CB-CG 4.23Å; R388-L396 HydrophobicContact CB-CD2 3.84Å; R388-L396 HydrophobicContact CG-CD2 4Å; L396-Y419 HydrophobicContact CD1-CD1 4.06Å; L396-Y419 HydrophobicContact CD1-CD2 4.4Å; L396-Y419 HydrophobicContact CD1-CE1 3.68Å; L396-Y419 HydrophobicContact CD1-CE2 4.05Å; L396-Y419 HydrophobicContact CD1-CG 4.38Å; L396-Y419 HydrophobicContact CD2-CD1 3.74Å; L396-Y419 HydrophobicContact CD2-CD2 3.59Å; L396-Y419 HydrophobicContact CD2-CE1 4.19Å; L396-Y419 HydrophobicContact CD2-CE2 4.05Å; L396-Y419 HydrophobicContact CD2-CG 3.39Å |
| 397 | Y | 88.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 62 Ų | 62 | 7% | 0.071 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.7 | -178.8 | -60 | -87.6 | 0 | 0 | 0 | 112.7 | C379 I380 T386 L387 C389 C392 D395 F402 | C379-Y397 WeakPolarHBondContact SG-CE1 3.16Å; I380-Y397 HydrophobicContact CD1-CD1 3.76Å; I380-Y397 HydrophobicContact CD1-CE1 3.61Å; I380-Y397 HydrophobicContact CG1-CD1 4.14Å; I380-Y397 HydrophobicContact CG1-CE1 3.97Å; T386-Y397 PolarHBondContact N-O 2.73Å; T386-Y397 PolarHBondContact OG1-O 3.14Å; L387-Y397 PolarHBondContact N-O 2.9Å; L387-Y397 VanDerWaalsContact N-O 3.09Å; L387-Y397 PolarHBondContact O-N 3.43Å; C389-Y397 HydrophobicContact CB-CD2 4Å; C389-Y397 HydrophobicContact CB-CE2 3.75Å; C392-Y397 HydrophobicContact CB-CE2 4.34Å; D395-Y397 HydrophobicContact CB-CD2 4.29Å; D395-Y397 HydrophobicContact CB-CE2 3.42Å; D395-Y397 VanDerWaalsContact CB-CE2 3.42Å; D395-Y397 WeakPolarHBondContact O-CD2 3.22Å; D395-Y397 WeakPolarHBondContact O-CE2 3.27Å; D395-Y397 PolarHBondContact OD2-OH 2.77Å; Y397-F402 AromaticContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CG-CB 4.32Å; Y397-F402 HydrophobicContact CG-CD2 4.14Å |
| 398 | C | 90.4 | Very high | 81.4 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.054 | 33% | 0.33 | C | S | . | . | trans | -79.4 | 153.2 | 161 | 81.3 | 0 | 0 | 0 | 0 | 108.7 | C378 R400 C401 F402 | C378-C398 HydrophobicContact CB-CB 3.87Å; C378-C398 VanDerWaalsContact CB-N 3.3Å; C378-C398 PolarHBondContact SG-N 2.97Å; C398-R400 PolarHBondContact O-N 2.92Å; C398-C401 PolarHBondContact O-N 2.97Å; C398-C401 PolarHBondContact SG-N 3.09Å; C398-C401 PolarHBondContact SG-SG 3.35Å; C398-F402 PolarHBondContact O-N 2.96Å | ||
| 399 | S | 84.3 | Confident | 79.8 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 46% | 0.462 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.3 | -23.1 | -176.5 | -52.4 | 0 | 0 | 0 | 0 | 113.8 | T386 R403 | T386-S399 PolarHBondContact OG1-N 2.91Å; T386-S399 VanDerWaalsContact OG1-N 3.12Å; T386-S399 PolarHBondContact OG1-OG 3.47Å; S399-R403 WeakPolarHBondContact O-CB 3.47Å |
| 400 | R | 86.2 | Confident | 78.5 | Confident | 174 Ų | 174 | 73.4 Ų | 73.4 | 66% | 0.657 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -77.1 | -53.2 | 177.6 | -177.6 | 177.9 | 174.2 | 177.7 | -2.8 | 111.4 | C398 F402 R403 E404 | C398-R400 PolarHBondContact O-N 2.92Å; R400-F402 PolarHBondContact O-N 3.35Å; R400-R403 PolarHBondContact O-N 3.17Å; R400-E404 IonicContact NE-OE2 2.73Å; R400-E404 WeakPolarHBondContact O-CB 3.49Å; R400-E404 PolarHBondContact O-N 3.02Å |
| 401 | C | 86.1 | Confident | 77.5 | Confident | 12 Ų | 12 | 74.3 Ų | 74.3 | 8% | 0.081 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | -178.5 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | I380 C381 C398 R403 E404 G405 | I380-C401 HydrophobicContact CB-CB 3.81Å; I380-C401 HydrophobicContact CD1-CB 3.83Å; I380-C401 HydrophobicContact CG1-CB 4.31Å; I380-C401 HydrophobicContact CG2-CB 4Å; C381-C401 PolarHBondContact SG-SG 3.29Å; C398-C401 PolarHBondContact O-N 2.97Å; C398-C401 PolarHBondContact SG-N 3.09Å; C398-C401 PolarHBondContact SG-SG 3.35Å; C401-R403 VanDerWaalsContact C-N 3.28Å; C401-R403 PolarHBondContact O-N 3.05Å; C401-E404 PolarHBondContact O-N 3.12Å; C401-G405 PolarHBondContact O-N 3.2Å |
| 402 | F | 84.8 | Confident | 76.6 | Confident | 17 Ų | 17 | 80.3 Ų | 80.3 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.8 | -40 | 173.3 | -173.7 | -103.7 | 0 | 0 | 0 | 111.9 | L387 C389 Y397 C398 R400 H406 R411 H414 T416 | L387-F402 HydrophobicContact CD1-CB 4.42Å; L387-F402 HydrophobicContact CD1-CD1 4.36Å; L387-F402 HydrophobicContact CD1-CG 4.49Å; C389-F402 HydrophobicContact CB-CD2 4.49Å; C389-F402 HydrophobicContact CB-CE2 3.94Å; Y397-F402 AromaticContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CG-CB 4.32Å; Y397-F402 HydrophobicContact CG-CD2 4.14Å; C398-F402 PolarHBondContact O-N 2.96Å; R400-F402 PolarHBondContact O-N 3.35Å; F402-H406 AromaticContact CD2-CD2 3.27Å; F402-H406 WeakPolarHBondContact CD2-CD2 3.5Å; F402-H406 AromaticContact CD2-NE2 3.85Å; F402-H406 HydrophobicContact CE2-CB 4.37Å; F402-H406 AromaticContact CE2-CD2 3.26Å; F402-H406 WeakPolarHBondContact CE2-CD2 3.27Å; F402-H406 AromaticContact CE2-CG 3.79Å; F402-H406 AromaticContact CE2-NE2 3.76Å; F402-H406 HydrophobicContact CZ-CB 4.29Å; F402-H406 VanDerWaalsContact O-CB 3.23Å; F402-H406 WeakPolarHBondContact O-CB 3.39Å; F402-H406 PolarHBondContact O-CD2 2.97Å; F402-H406 PolarHBondContact O-N 3.34Å; F402-R411 HydrophobicContact CE1-CG 4.21Å; F402-H414 HydrophobicContact CZ-CB 4.31Å; F402-T416 HydrophobicContact CD1-CG2 4.47Å; F402-T416 HydrophobicContact CD2-CG2 4.26Å; F402-T416 HydrophobicContact CE1-CG2 3.73Å; F402-T416 HydrophobicContact CE2-CG2 3.48Å; F402-T416 VanDerWaalsContact CE2-CG2 3.48Å; F402-T416 HydrophobicContact CZ-CG2 3.19Å |
| 403 | R | 81.7 | Confident | 76.1 | Confident | 167 Ų | 167 | 86.6 Ų | 86.6 | 63% | 0.63 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -79.8 | -20.3 | -178.5 | -167.9 | 169.7 | 65.9 | -165.4 | 0 | 113.9 | S399 R400 C401 | S399-R403 WeakPolarHBondContact O-CB 3.47Å; R400-R403 PolarHBondContact O-N 3.17Å; C401-R403 VanDerWaalsContact C-N 3.28Å; C401-R403 PolarHBondContact O-N 3.05Å |
| 404 | E | 82.8 | Confident | 76 | Confident | 142 Ų | 142 | 80.8 Ų | 80.8 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -89 | -36.5 | 178.1 | -169.4 | 164.2 | -178.1 | 0 | 0 | 111.3 | R400 C401 | R400-E404 IonicContact NE-OE2 2.73Å; R400-E404 WeakPolarHBondContact O-CB 3.49Å; R400-E404 PolarHBondContact O-N 3.02Å; C401-E404 PolarHBondContact O-N 3.12Å |
| 405 | G | 72.6 | Confident | 76.1 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -87.4 | -23.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | C401 | C401-G405 PolarHBondContact O-N 3.2Å |
| 406 | H | 73.2 | Confident | 76.1 | Confident | 18 Ų | 18 | 84.7 Ų | 84.7 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -113.4 | 99 | 173.3 | -57.8 | -77.9 | 0 | 0 | 0 | 109.6 | C392 F402 D410 R411 H414 | C392-H406 PolarHBondContact SG-CE1 3.25Å; F402-H406 AromaticContact CD2-CD2 3.27Å; F402-H406 WeakPolarHBondContact CD2-CD2 3.5Å; F402-H406 AromaticContact CD2-NE2 3.85Å; F402-H406 HydrophobicContact CE2-CB 4.37Å; F402-H406 AromaticContact CE2-CD2 3.26Å; F402-H406 WeakPolarHBondContact CE2-CD2 3.27Å; F402-H406 AromaticContact CE2-CG 3.79Å; F402-H406 AromaticContact CE2-NE2 3.76Å; F402-H406 HydrophobicContact CZ-CB 4.29Å; F402-H406 VanDerWaalsContact O-CB 3.23Å; F402-H406 WeakPolarHBondContact O-CB 3.39Å; F402-H406 PolarHBondContact O-CD2 2.97Å; F402-H406 PolarHBondContact O-N 3.34Å; H406-D410 HydrophobicContact CB-CB 4.35Å; H406-R411 HydrophobicContact CB-CG 3.9Å; H406-R411 WeakPolarHBondContact O-CD 3.44Å; H406-R411 WeakPolarHBondContact O-CG 3.33Å; H406-R411 PolarHBondContact O-NE 3.1Å; H406-H414 AromaticContact CE1-CE1 3.33Å; H406-H414 PolarHBondContact CE1-CE1 3.05Å; H406-H414 AromaticContact CE1-ND1 3.14Å; H406-H414 PolarHBondContact CE1-ND1 3.08Å; H406-H414 AromaticContact CG-ND1 3.92Å; H406-H414 AromaticContact ND1-CE1 3.22Å; H406-H414 PolarHBondContact ND1-CE1 3.17Å; H406-H414 AromaticContact ND1-CG 3.91Å; H406-H414 AromaticContact ND1-ND1 2.99Å; H406-H414 PolarHBondContact ND1-ND1 3.44Å |
| 407 | D | 62.8 | Low | 75.9 | Confident | 76 Ų | 76 | 86.1 Ų | 86.1 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | trans | -66 | 170.6 | 179.8 | -167.9 | 17.1 | 0 | 0 | 0 | 110.6 | Y409 D410 R411 | D407-Y409 PolarHBondContact O-N 3.36Å; D407-D410 PolarHBondContact O-N 3.42Å; D407-D410 VanDerWaalsContact O-N 3.14Å; D407-R411 WeakPolarHBondContact O-CG 3.46Å; D407-R411 PolarHBondContact O-N 3.4Å; D407-R411 VanDerWaalsContact O-N 3.13Å; D407-R411 PolarHBondContact O-NE 2.88Å | ||
| 408 | K | 57.8 | Low | 75.8 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -18.7 | 177.9 | 63.3 | -164.2 | 166.2 | -67.7 | 0 | 115.9 | ||
| 409 | Y | 56.2 | Low | 75.5 | Confident | 173 Ų | 173 | 91 Ų | 91 | 68% | 0.678 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -45.3 | 176.7 | -71.5 | -82.3 | 0 | 0 | 0 | 111.7 | D407 R411 K412 | D407-Y409 PolarHBondContact O-N 3.36Å; Y409-R411 PolarHBondContact O-N 2.95Å; Y409-K412 PolarHBondContact O-N 3.38Å |
| 410 | D | 61 | Low | 75.2 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -71.4 | -26.9 | -179.8 | -52.7 | -37.2 | 0 | 0 | 0 | 113.6 | H406 D407 K412 E413 H414 | H406-D410 HydrophobicContact CB-CB 4.35Å; D407-D410 PolarHBondContact O-N 3.42Å; D407-D410 VanDerWaalsContact O-N 3.14Å; D410-K412 PolarHBondContact O-N 3.24Å; D410-K412 VanDerWaalsContact O-N 3.13Å; D410-E413 PolarHBondContact O-N 2.96Å; D410-H414 WeakPolarHBondContact O-CB 3.44Å; D410-H414 PolarHBondContact O-CD2 3.24Å; D410-H414 PolarHBondContact O-N 3.03Å |
| 411 | R | 60.7 | Low | 74.8 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 42% | 0.415 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -64.3 | -17 | 179 | -75 | -177.1 | -70.4 | 159.2 | -5.2 | 114.9 | F402 H406 D407 Y409 | F402-R411 HydrophobicContact CE1-CG 4.21Å; H406-R411 HydrophobicContact CB-CG 3.9Å; H406-R411 WeakPolarHBondContact O-CD 3.44Å; H406-R411 WeakPolarHBondContact O-CG 3.33Å; H406-R411 PolarHBondContact O-NE 3.1Å; D407-R411 WeakPolarHBondContact O-CG 3.46Å; D407-R411 PolarHBondContact O-N 3.4Å; D407-R411 VanDerWaalsContact O-N 3.13Å; D407-R411 PolarHBondContact O-NE 2.88Å; Y409-R411 PolarHBondContact O-N 2.95Å |
| 412 | K | 62.3 | Low | 74 | Confident | 190 Ų | 190 | 91.5 Ų | 91.5 | 83% | 0.826 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -82 | -27.5 | 174.7 | -76.6 | -178 | 179.2 | -179.5 | 0 | 112.3 | Y409 D410 | Y409-K412 PolarHBondContact O-N 3.38Å; D410-K412 PolarHBondContact O-N 3.24Å; D410-K412 VanDerWaalsContact O-N 3.13Å |
| 413 | E | 68.3 | Low | 73 | Confident | 152 Ų | 152 | 100.1 Ų | 100.1 | 71% | 0.71 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -25.1 | 179 | -63.3 | -175 | -178.2 | 0 | 0 | 110.6 | T391 D410 H415 | T391-E413 WeakPolarHBondContact CG2-O 3.3Å; D410-E413 PolarHBondContact O-N 2.96Å; E413-H415 PolarHBondContact O-N 3.2Å |
| 414 | H | 78.8 | Confident | 71.8 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 19% | 0.19 | 51% | 0.513 | C | S | . | . | trans | -89.7 | 107.5 | -177.2 | -71.4 | -141 | 0 | 0 | 0 | 113.1 | T391 C392 F402 H406 D410 | T391-H414 WeakPolarHBondContact OG1-CA 3.37Å; T391-H414 VanDerWaalsContact OG1-CB 3.22Å; T391-H414 WeakPolarHBondContact OG1-CB 3.45Å; T391-H414 PolarHBondContact OG1-ND1 3.35Å; C392-H414 PolarHBondContact SG-CE1 3.26Å; C392-H414 PolarHBondContact SG-ND1 2.72Å; F402-H414 HydrophobicContact CZ-CB 4.31Å; H406-H414 AromaticContact CE1-CE1 3.33Å; H406-H414 PolarHBondContact CE1-CE1 3.05Å; H406-H414 AromaticContact CE1-ND1 3.14Å; H406-H414 PolarHBondContact CE1-ND1 3.08Å; H406-H414 AromaticContact CG-ND1 3.92Å; H406-H414 AromaticContact ND1-CE1 3.22Å; H406-H414 PolarHBondContact ND1-CE1 3.17Å; H406-H414 AromaticContact ND1-CG 3.91Å; H406-H414 AromaticContact ND1-ND1 2.99Å; H406-H414 PolarHBondContact ND1-ND1 3.44Å; D410-H414 WeakPolarHBondContact O-CB 3.44Å; D410-H414 PolarHBondContact O-CD2 3.24Å; D410-H414 PolarHBondContact O-N 3.03Å | ||
| 415 | H | 81.1 | Confident | 70.2 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | trans | -78.6 | 124.4 | 176.4 | -173.9 | 61.9 | 0 | 0 | 0 | 110.9 | H390 T391 E413 | H390-H415 HydrophobicContact CB-CB 4.5Å; H390-H415 AromaticContact CD2-CD2 3.63Å; H390-H415 PolarHBondContact N-O 2.98Å; T391-H415 HydrophobicContact CG2-CB 4.33Å; E413-H415 PolarHBondContact O-N 3.2Å | ||
| 416 | T | 87.9 | Confident | 68.7 | Low | 49 Ų | 49 | 112.9 Ų | 112.9 | 30% | 0.301 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.3 | 178.9 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | R388 C389 F402 | R388-T416 CarbonylContact O-C 3.52Å; R388-T416 WeakPolarHBondContact O-CA 3.13Å; R388-T416 WeakPolarHBondContact O-CB 3.21Å; C389-T416 HydrophobicContact CB-CG2 4.09Å; F402-T416 HydrophobicContact CD1-CG2 4.47Å; F402-T416 HydrophobicContact CD2-CG2 4.26Å; F402-T416 HydrophobicContact CE1-CG2 3.73Å; F402-T416 HydrophobicContact CE2-CG2 3.48Å; F402-T416 VanDerWaalsContact CE2-CG2 3.48Å; F402-T416 HydrophobicContact CZ-CG2 3.19Å |
| 417 | S | 86.4 | Confident | 67.4 | Low | 41 Ų | 41 | 122.1 Ų | 122.1 | 29% | 0.287 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 155.1 | 169.4 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | L387 R388 H390 Y419 | L387-S417 CarbonylContact C-O 3.6Å; L387-S417 WeakPolarHBondContact CA-O 3.28Å; R388-S417 PolarHBondContact N-O 3.46Å; R388-S417 PolarHBondContact O-N 3.43Å; H390-S417 VanDerWaalsContact NE2-CB 3.35Å; H390-S417 WeakPolarHBondContact NE2-CB 3.39Å; H390-S417 PolarHBondContact NE2-OG 3.14Å; S417-Y419 PolarHBondContact O-N 3.16Å |
| 418 | S | 85.9 | Confident | 66.5 | Low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.8 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 419 | Y | 84.4 | Confident | 66.9 | Low | 24 Ų | 24 | 129.1 Ų | 129.1 | 9% | 0.094 | 63% | 0.627 | C | S | . | * | trans | -102.7 | 137.8 | 175.7 | -179.5 | -102.4 | 0 | 0 | 0 | 110.7 | E374 P376 A385 T386 L396 S417 A421 | E374-Y419 VanDerWaalsContact OE2-CE2 3.23Å; E374-Y419 WeakPolarHBondContact OE2-CE2 3.39Å; P376-Y419 HydrophobicContact CB-CE1 4.44Å; A385-Y419 HydrophobicContact CB-CD1 4Å; A385-Y419 HydrophobicContact CB-CE1 4.39Å; T386-Y419 PolarHBondContact O-N 3.41Å; L396-Y419 HydrophobicContact CD1-CD1 4.06Å; L396-Y419 HydrophobicContact CD1-CD2 4.4Å; L396-Y419 HydrophobicContact CD1-CE1 3.68Å; L396-Y419 HydrophobicContact CD1-CE2 4.05Å; L396-Y419 HydrophobicContact CD1-CG 4.38Å; L396-Y419 HydrophobicContact CD2-CD1 3.74Å; L396-Y419 HydrophobicContact CD2-CD2 3.59Å; L396-Y419 HydrophobicContact CD2-CE1 4.19Å; L396-Y419 HydrophobicContact CD2-CE2 4.05Å; L396-Y419 HydrophobicContact CD2-CG 3.39Å; S417-Y419 PolarHBondContact O-N 3.16Å; Y419-A421 HydrophobicContact CE1-CB 4.19Å | ||
| 420 | T | 79.3 | Confident | 67.5 | Low | 120 Ų | 120 | 126.7 Ų | 126.7 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | trans | -133.9 | 120 | 170.8 | -61.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 421 | A | 76.9 | Confident | 67.8 | Low | 44 Ų | 44 | 129.9 Ų | 129.9 | 36% | 0.364 | 64% | 0.639 | S | S | . | * | trans | -56.3 | 132.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | P376 Y419 K423 | P376-A421 HydrophobicContact CB-CB 3.78Å; Y419-A421 HydrophobicContact CE1-CB 4.19Å; A421-K423 PolarHBondContact O-N 3.48Å | ||
| 422 | P | 69.7 | Low | 68.2 | Low | 98 Ų | 98 | 131.1 Ų | 131.1 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | -62.6 | 122.3 | 178.7 | 21.3 | -29.1 | 0 | 0 | 0 | 109.7 | K424 | P422-K424 VanDerWaalsContact C-N 3.34Å; P422-K424 PolarHBondContact O-N 2.93Å | ||
| 423 | K | 62.5 | Low | 68.6 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 86% | 0.861 | 64% | 0.641 | S | S | * | * | trans | -66.7 | 95 | 172.8 | -66.6 | -178.6 | -178.1 | 177.6 | 0 | 107.6 | A421 K425 | A421-K423 PolarHBondContact O-N 3.48Å; K423-K425 PolarHBondContact O-N 3.32Å | ||
| 424 | K | 57 | Low | 68.6 | Low | 195 Ų | 195 | 125.8 Ų | 125.8 | 85% | 0.848 | 64% | 0.636 | S | S | * | * | trans | -52.9 | 107.9 | 172.5 | -68.8 | -170.2 | 178.8 | -172.7 | 0 | 107.7 | P422 R426 | P422-K424 VanDerWaalsContact C-N 3.34Å; P422-K424 PolarHBondContact O-N 2.93Å; K424-R426 PolarHBondContact O-N 3.09Å | ||
| 425 | K | 49.5 | Very low | 67.9 | Low | 199 Ų | 199 | 131.9 Ų | 131.9 | 87% | 0.865 | 67% | 0.668 | S | S | * | * | trans | -60.1 | 114.1 | 170.5 | -69.8 | -174.6 | -179.3 | 179.2 | 0 | 105.6 | K423 K427 | K423-K425 PolarHBondContact O-N 3.32Å; K425-K427 PolarHBondContact O-N 3.1Å | ||
| 426 | R | 42.1 | Very low | 66.9 | Low | 231 Ų | 231 | 132.4 Ų | 132.4 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | trans | -58.2 | 104.7 | 169.2 | -75.9 | 175.7 | 67.5 | -168.4 | 0.8 | 106.3 | K424 T428 | K424-R426 PolarHBondContact O-N 3.09Å; R426-T428 PolarHBondContact O-N 3.46Å; R426-T428 VanDerWaalsContact O-N 3.07Å; R426-T428 PolarHBondContact O-OG1 2.89Å | ||
| 427 | K | 45.4 | Very low | 65.1 | Low | 211 Ų | 211 | 139.3 Ų | 139.3 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | trans | -55.9 | 115.1 | 164.8 | -79 | 179.9 | 176 | 175 | 0 | 105.5 | K425 | K425-K427 PolarHBondContact O-N 3.1Š| ||
| 428 | T | 42.5 | Very low | 63.2 | Low | 206 Ų | 206 | 148.3 Ų | 148.3 | 100% | 1.264 | 75% | 0.745 | S | S | * | * | trans | -84.2 | 0 | 177 | -42.5 | 0 | 0 | 0 | 0 | 108.4 | R426 | R426-T428 PolarHBondContact O-N 3.46Å; R426-T428 VanDerWaalsContact O-N 3.07Å; R426-T428 PolarHBondContact O-OG1 2.89Å |
Retrieved 428 of 428 residues in 94.4 ms
(Link to these results)