| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 68.9 | Low | 217 Ų | 217 | 94.3 Ų | 94.3 | 100% | 1.069 | 49% | 0.494 | S | S | * | . | 0 | 97.7 | 0 | -68.4 | -168.7 | -152.3 | 0 | 0 | 105.1 | N3 | M1-N3 PolarHBondContact O-N 3.44Š| |||
| 2 | D | 41.6 | Very low | 70.5 | Confident | 153 Ų | 153 | 86.5 Ų | 86.5 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | trans | -66.7 | 123 | -177.8 | -64.5 | -30 | 0 | 0 | 0 | 108.3 | F4 | D2-F4 PolarHBondContact O-N 3.22Š| ||
| 3 | N | 50.7 | Low | 71.9 | Confident | 113 Ų | 113 | 80 Ų | 80 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | trans | -60.8 | 104.3 | 172.4 | -77.7 | -20.9 | 0 | 0 | 0 | 107.5 | M1 F5 | M1-N3 PolarHBondContact O-N 3.44Å; N3-F5 PolarHBondContact O-N 3.3Å | ||
| 4 | F | 62.8 | Low | 72.9 | Confident | 116 Ų | 116 | 81 Ų | 81 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -63.8 | -22 | -172.9 | -132.6 | -94.4 | 0 | 0 | 0 | 113.3 | D2 R51 | D2-F4 PolarHBondContact O-N 3.22Å; F4-R51 HydrophobicContact CE1-CG 3.64Å; F4-R51 HydrophobicContact CZ-CG 3.81Å |
| 5 | F | 67.9 | Low | 73.6 | Confident | 29 Ų | 29 | 79.1 Ų | 79.1 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -146.7 | 143.6 | 178.8 | -56.1 | -78.9 | 0 | 0 | 0 | 109.5 | N3 V11 V24 V54 | N3-F5 PolarHBondContact O-N 3.3Å; F5-V11 HydrophobicContact CD1-CG1 3.77Å; F5-V11 HydrophobicContact CE1-CG1 3.87Å; F5-V24 HydrophobicContact CB-CG2 4Å; F5-V54 HydrophobicContact CD2-CG1 4.39Å; F5-V54 HydrophobicContact CE1-CG1 4.09Å; F5-V54 HydrophobicContact CE2-CB 4.09Å; F5-V54 HydrophobicContact CE2-CG1 3.72Å; F5-V54 HydrophobicContact CZ-CB 4.09Å; F5-V54 HydrophobicContact CZ-CG1 3.55Å |
| 6 | T | 78.3 | Confident | 73.5 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | trans | -97.9 | 155.9 | 175.2 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | G8 D9 V24 | T6-G8 PolarHBondContact O-N 2.98Å; T6-D9 WeakPolarHBondContact CA-OD2 3.45Å; T6-D9 PolarHBondContact N-OD2 2.86Å; T6-D9 WeakPolarHBondContact O-CB 3.44Å; T6-D9 PolarHBondContact O-N 3.31Å; T6-D9 VanDerWaalsContact O-N 3.12Å; T6-D9 PolarHBondContact OG1-OD1 2.91Å; T6-D9 PolarHBondContact OG1-OD2 3.14Å; T6-V24 WeakPolarHBondContact O-CB 3.34Å | ||
| 7 | E | 80 | Confident | 73.3 | Confident | 144 Ų | 144 | 86.9 Ų | 86.9 | 67% | 0.673 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 129.5 | 176.1 | -167.8 | 177.8 | 156.3 | 0 | 0 | 109.9 | ||
| 8 | G | 79.8 | Confident | 73.6 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | T6 V24 | T6-G8 PolarHBondContact O-N 2.98Å; G8-V24 PolarHBondContact N-O 2.87Å |
| 9 | D | 84.1 | Confident | 74.1 | Confident | 62 Ų | 62 | 83.3 Ų | 83.3 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | trans | -65 | 137 | 177.7 | -77.2 | -24.9 | 0 | 0 | 0 | 112 | T6 S23 V24 | T6-D9 WeakPolarHBondContact CA-OD2 3.45Å; T6-D9 PolarHBondContact N-OD2 2.86Å; T6-D9 WeakPolarHBondContact O-CB 3.44Å; T6-D9 PolarHBondContact O-N 3.31Å; T6-D9 VanDerWaalsContact O-N 3.12Å; T6-D9 PolarHBondContact OG1-OD1 2.91Å; T6-D9 PolarHBondContact OG1-OD2 3.14Å; D9-S23 WeakPolarHBondContact O-CA 3.49Å; D9-V24 HydrophobicContact CB-CG2 4.3Å; D9-V24 PolarHBondContact O-N 2.8Å | ||
| 10 | R | 87 | Confident | 74.7 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 26% | 0.26 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.4 | 176.9 | -66.5 | -72.5 | -68.6 | -172.9 | 0.9 | 110 | D37 M57 V62 H81 | R10-D37 IonicContact CZ-OD1 3.17Å; R10-D37 IonicContact CZ-OD2 3.65Å; R10-D37 VanDerWaalsContact CZ-OD2 3.31Å; R10-D37 VanDerWaalsContact NH1-CG 3.31Å; R10-D37 IonicContact NH1-OD1 2.87Å; R10-D37 PolarHBondContact NH1-OD1 3.08Å; R10-D37 IonicContact NH1-OD2 3.96Å; R10-D37 PolarHBondContact NH1-OD2 2.76Å; R10-D37 VanDerWaalsContact NH1-OD2 3.12Å; R10-D37 IonicContact NH2-OD1 3.61Å; R10-D37 IonicContact NH2-OD2 3.84Å; R10-D37 PolarHBondContact NH2-OD2 3.32Å; R10-M57 HydrophobicContact CB-CB 4.01Å; R10-M57 HydrophobicContact CB-SD 4.31Å; R10-M57 WeakPolarHBondContact O-CB 3.44Å; R10-M57 PolarHBondContact O-N 3.32Å; R10-V62 HydrophobicContact CB-CG2 4.24Å; R10-V62 HydrophobicContact CG-CG2 4.39Å; R10-H81 PolarHBondContact NH2-NE2 3.39Å |
| 11 | V | 89 | Confident | 75.3 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154.9 | -173.9 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | F5 G22 V24 F34 V54 Q55 | F5-V11 HydrophobicContact CD1-CG1 3.77Å; F5-V11 HydrophobicContact CE1-CG1 3.87Å; V11-G22 PolarHBondContact N-O 3.31Å; V11-G22 PolarHBondContact O-N 3.47Å; V11-V24 HydrophobicContact CG1-CG2 4.3Å; V11-V24 HydrophobicContact CG2-CG2 4.33Å; V11-F34 HydrophobicContact CG2-CD1 3.73Å; V11-F34 HydrophobicContact CG2-CE1 3.85Å; V11-V54 HydrophobicContact CB-CG1 3.74Å; V11-V54 HydrophobicContact CG1-CG1 3.92Å; V11-V54 HydrophobicContact CG2-CG1 4Å; V11-Q55 CarbonylContact C-O 3.5Å; V11-Q55 VanDerWaalsContact CA-O 3.26Å; V11-Q55 WeakPolarHBondContact CA-O 3.42Å; V11-Q55 WeakPolarHBondContact CB-O 3.41Å |
| 12 | W | 88.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.1 | 163.9 | -66.6 | 115.6 | 0 | 0 | 0 | 109.4 | F19 L20 P21 V54 Q55 M57 D73 H75 A78 H81 | W12-F19 HydrophobicContact CB-CD1 4.16Å; W12-F19 HydrophobicContact CE3-CB 4.16Å; W12-L20 WeakPolarHBondContact CA-O 3.37Å; W12-P21 HydrophobicContact CE3-CB 4.11Å; W12-P21 HydrophobicContact CH2-CB 4.05Å; W12-P21 HydrophobicContact CZ3-CB 3.55Å; W12-P21 HydrophobicContact CZ3-CG 4Å; W12-V54 WeakPolarHBondContact O-CA 3.47Å; W12-Q55 HydrophobicContact CB-CB 4.28Å; W12-Q55 PolarHBondContact N-O 2.99Å; W12-Q55 PolarHBondContact O-N 3.49Å; W12-M57 HydrophobicContact CD2-CE 3.84Å; W12-M57 HydrophobicContact CE3-CE 4.02Å; W12-M57 HydrophobicContact CG-CE 4.47Å; W12-M57 HydrophobicContact CH2-CE 4Å; W12-M57 HydrophobicContact CZ2-CE 3.87Å; W12-M57 HydrophobicContact CZ2-CG 4.12Å; W12-M57 HydrophobicContact CZ2-SD 4.34Å; W12-M57 HydrophobicContact CZ3-CE 4.11Å; W12-D73 PolarHBondContact NE1-OD2 2.95Å; W12-H75 AromaticContact CD1-NE2 3.78Å; W12-H75 AromaticContact CD2-CE1 3.48Å; W12-H75 VanDerWaalsContact CD2-CE1 3.48Å; W12-H75 AromaticContact CD2-NE2 3.71Å; W12-H75 AromaticContact CE2-CE1 3.52Å; W12-H75 AromaticContact CE2-NE2 3.61Å; W12-H75 AromaticContact CE3-CE1 3.64Å; W12-H75 AromaticContact CG-NE2 3.83Å; W12-H75 AromaticContact CH2-CE1 3.96Å; W12-H75 AromaticContact CZ2-CE1 3.77Å; W12-H75 AromaticContact CZ3-CE1 3.87Å; W12-H75 AromaticContact NE1-NE2 3.63Å; W12-A78 HydrophobicContact CH2-CB 4.11Å; W12-A78 HydrophobicContact CZ2-CB 3.81Å; W12-H81 HydrophobicContact CH2-CB 3.68Å; W12-H81 HydrophobicContact CZ3-CB 4.29Å |
| 13 | L | 88.3 | Confident | 80 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.2 | 173.1 | 178.9 | 68 | 0 | 0 | 0 | 109.3 | L20 F34 Y42 Y44 K53 V54 | L13-L20 PolarHBondContact N-O 2.77Å; L13-L20 PolarHBondContact O-N 3.5Å; L13-F34 HydrophobicContact CD1-CD2 4.41Å; L13-F34 HydrophobicContact CD2-CB 4.35Å; L13-Y42 HydrophobicContact CD2-CD1 4.49Å; L13-Y42 HydrophobicContact CD2-CD2 3.6Å; L13-Y42 HydrophobicContact CD2-CE2 4.33Å; L13-Y42 HydrophobicContact CD2-CG 3.7Å; L13-Y44 HydrophobicContact CD1-CD2 4.49Å; L13-Y44 HydrophobicContact CD1-CE2 3.81Å; L13-Y44 HydrophobicContact CD2-CE2 4.04Å; L13-K53 HydrophobicContact CD1-CG 4.38Å; L13-V54 HydrophobicContact CD1-CG2 3.82Å |
| 14 | R | 86.8 | Confident | 81.8 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.2 | 175.6 | -170.7 | 177.4 | 174.8 | 175.9 | -1.3 | 110.5 | D17 Q18 F19 K53 | R14-D17 IonicContact CZ-OD1 3.69Å; R14-D17 IonicContact NE-OD1 3.88Å; R14-D17 IonicContact NH2-OD1 3.73Å; R14-D17 PolarHBondContact NH2-OD1 3.05Å; R14-Q18 CarbonylContact C-O 3.46Å; R14-Q18 VanDerWaalsContact CA-O 3.25Å; R14-Q18 WeakPolarHBondContact CA-O 3.47Å; R14-F19 HydrophobicContact CB-CD1 4.19Å; R14-F19 HydrophobicContact CB-CE1 4.07Å; R14-F19 HydrophobicContact CG-CE1 4.25Å; R14-F19 HydrophobicContact CG-CZ 4.3Å; R14-K53 PolarHBondContact N-O 3.22Å |
| 15 | E | 83.4 | Confident | 82.9 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.1 | 166 | -84.7 | -57.3 | -166.2 | 0 | 0 | 114.1 | D17 Q18 Y42 Y44 K53 | E15-D17 PolarHBondContact O-N 3.44Å; E15-D17 VanDerWaalsContact O-N 3.08Å; E15-Q18 PolarHBondContact N-O 2.95Å; E15-Q18 WeakPolarHBondContact O-CA 3.39Å; E15-Q18 WeakPolarHBondContact O-CB 3.27Å; E15-Q18 PolarHBondContact O-N 3.44Å; E15-Y42 HydrophobicContact CG-CD1 4.48Å; E15-Y42 HydrophobicContact CG-CE1 4.27Å; E15-Y44 VanDerWaalsContact CD-OH 3.26Å; E15-Y44 VanDerWaalsContact CG-OH 3.28Å; E15-Y44 WeakPolarHBondContact CG-OH 3.5Å; E15-Y44 WeakPolarHBondContact OE1-CE1 3.39Å; E15-Y44 VanDerWaalsContact OE1-CZ 3.27Å; E15-Y44 PolarHBondContact OE1-OH 2.93Å; E15-K53 VanDerWaalsContact CD-NZ 3.34Å; E15-K53 WeakPolarHBondContact OE1-CE 3.36Å; E15-K53 IonicContact OE1-NZ 2.76Å; E15-K53 PolarHBondContact OE1-NZ 2.89Å; E15-K53 IonicContact OE2-NZ 3.32Å; E15-K53 PolarHBondContact OE2-NZ 2.97Å |
| 16 | E | 71.5 | Confident | 83.8 | Confident | 179 Ų | 179 | 51.5 Ų | 51.5 | 84% | 0.836 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 44.7 | 179.4 | -60.5 | -174 | 172.7 | 0 | 0 | 113 | Q18 | E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.19Å |
| 17 | D | 69.8 | Low | 83.9 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 60% | 0.599 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 19 | -176.2 | -67.1 | -40.7 | 0 | 0 | 0 | 116.8 | R14 E15 | R14-D17 IonicContact CZ-OD1 3.69Å; R14-D17 IonicContact NE-OD1 3.88Å; R14-D17 IonicContact NH2-OD1 3.73Å; R14-D17 PolarHBondContact NH2-OD1 3.05Å; E15-D17 PolarHBondContact O-N 3.44Å; E15-D17 VanDerWaalsContact O-N 3.08Å |
| 18 | Q | 78.5 | Confident | 83.8 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142 | 172.2 | -55.9 | -174.1 | 22.1 | 0 | 0 | 111.1 | R14 E15 E16 L683 | R14-Q18 CarbonylContact C-O 3.46Å; R14-Q18 VanDerWaalsContact CA-O 3.25Å; R14-Q18 WeakPolarHBondContact CA-O 3.47Å; E15-Q18 PolarHBondContact N-O 2.95Å; E15-Q18 WeakPolarHBondContact O-CA 3.39Å; E15-Q18 WeakPolarHBondContact O-CB 3.27Å; E15-Q18 PolarHBondContact O-N 3.44Å; E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.19Å; Q18-L683 HydrophobicContact CG-CD2 4.11Å |
| 19 | F | 83.5 | Confident | 83.6 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.5 | 173 | -71 | -90 | 0 | 0 | 0 | 109.4 | W12 R14 H75 G77 | W12-F19 HydrophobicContact CB-CD1 4.16Å; W12-F19 HydrophobicContact CE3-CB 4.16Å; R14-F19 HydrophobicContact CB-CD1 4.19Å; R14-F19 HydrophobicContact CB-CE1 4.07Å; R14-F19 HydrophobicContact CG-CE1 4.25Å; R14-F19 HydrophobicContact CG-CZ 4.3Å; F19-H75 WeakPolarHBondContact CB-ND1 3.48Å; F19-H75 HydrophobicContact CD2-CB 3.81Å; F19-H75 AromaticContact CD2-CG 3.75Å; F19-H75 AromaticContact CD2-ND1 3.9Å; F19-H75 HydrophobicContact CE2-CB 4.08Å; F19-H75 HydrophobicContact CG-CB 4.44Å; F19-H75 AromaticContact CG-CE1 3.95Å; F19-H75 AromaticContact CG-CG 3.89Å; F19-H75 AromaticContact CG-ND1 3.72Å; F19-G77 WeakPolarHBondContact O-CA 3.34Å |
| 20 | L | 85.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.5 | -179.9 | -58.8 | 176.9 | 0 | 0 | 0 | 109.8 | W12 L13 T36 Y38 Y42 | W12-L20 WeakPolarHBondContact CA-O 3.37Å; L13-L20 PolarHBondContact N-O 2.77Å; L13-L20 PolarHBondContact O-N 3.5Å; L20-T36 HydrophobicContact CB-CG2 4.11Å; L20-T36 HydrophobicContact CD1-CG2 4.29Å; L20-Y38 HydrophobicContact CD2-CD2 4.29Å; L20-Y38 HydrophobicContact CD2-CE2 4.3Å; L20-Y42 HydrophobicContact CD1-CE2 3.81Å |
| 21 | P | 88.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.8 | 171.9 | 29.5 | -27.3 | 0 | 0 | 0 | 109.3 | W12 T36 D37 Y38 M57 H81 | W12-P21 HydrophobicContact CE3-CB 4.11Å; W12-P21 HydrophobicContact CH2-CB 4.05Å; W12-P21 HydrophobicContact CZ3-CB 3.55Å; W12-P21 HydrophobicContact CZ3-CG 4Å; P21-T36 VanDerWaalsContact O-CA 3.3Å; P21-T36 WeakPolarHBondContact O-CA 3.42Å; P21-T36 WeakPolarHBondContact O-CB 3.45Å; P21-D37 HydrophobicContact CG-CB 4.34Å; P21-D37 PolarHBondContact O-N 3.08Å; P21-Y38 HydrophobicContact CG-CD2 4.32Å; P21-Y38 HydrophobicContact CG-CE1 4.36Å; P21-Y38 HydrophobicContact CG-CE2 3.53Å; P21-Y38 WeakPolarHBondContact CG-OH 3.06Å; P21-M57 HydrophobicContact CB-CE 3.46Å; P21-M57 VanDerWaalsContact CB-CE 3.46Å; P21-H81 HydrophobicContact CG-CB 4.2Å; P21-H81 WeakPolarHBondContact CG-ND1 3.1Å |
| 22 | G | 87.3 | Confident | 83 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V11 A35 | V11-G22 PolarHBondContact N-O 3.31Å; V11-G22 PolarHBondContact O-N 3.47Å; G22-A35 CarbonylContact C-O 3.53Å; G22-A35 WeakPolarHBondContact CA-O 3.28Å |
| 23 | S | 89.1 | Confident | 83 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.5 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | D9 S25 F34 A35 | D9-S23 WeakPolarHBondContact O-CA 3.49Å; S23-S25 PolarHBondContact O-N 3.26Å; S23-F34 WeakPolarHBondContact O-CA 3.46Å; S23-A35 PolarHBondContact N-O 2.92Å; S23-A35 PolarHBondContact O-N 3.38Å |
| 24 | V | 89 | Confident | 83 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 108.3 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | F5 T6 G8 D9 V11 C27 V32 F34 | F5-V24 HydrophobicContact CB-CG2 4Å; T6-V24 WeakPolarHBondContact O-CB 3.34Å; G8-V24 PolarHBondContact N-O 2.87Å; D9-V24 HydrophobicContact CB-CG2 4.3Å; D9-V24 PolarHBondContact O-N 2.8Å; V11-V24 HydrophobicContact CG1-CG2 4.3Å; V11-V24 HydrophobicContact CG2-CG2 4.33Å; V24-C27 WeakPolarHBondContact CG1-SG 3.48Å; V24-V32 HydrophobicContact CG1-CG1 4.11Å; V24-F34 HydrophobicContact CG2-CD1 4.03Å; V24-F34 HydrophobicContact CG2-CE1 3.77Å |
| 25 | S | 86.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -33.7 | -176.6 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | S23 V33 A35 | S23-S25 PolarHBondContact O-N 3.26Å; S25-V33 PolarHBondContact N-O 2.91Å; S25-A35 WeakPolarHBondContact OG-CB 3.41Å; S25-A35 PolarHBondContact OG-N 3.39Å |
| 26 | S | 85.3 | Confident | 83.3 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 145 | 170.5 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | V32 V33 | S26-V32 WeakPolarHBondContact O-CA 3.4Å; S26-V33 PolarHBondContact N-O 2.8Å; S26-V33 PolarHBondContact O-N 3.28Å; S26-V33 WeakPolarHBondContact OG-CG2 3.43Å |
| 27 | C | 80.9 | Confident | 83.9 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 82.7 | 172.1 | -71.6 | 0 | 0 | 0 | 0 | 108.1 | V24 | V24-C27 WeakPolarHBondContact CG1-SG 3.48Å |
| 28 | S | 78.4 | Confident | 84.5 | Confident | 83 Ų | 83 | 32.3 Ų | 32.3 | 58% | 0.58 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.1 | -178.9 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | G30 V31 | S28-G30 VanDerWaalsContact C-N 3.33Å; S28-G30 PolarHBondContact O-N 3.19Å; S28-V31 PolarHBondContact N-O 2.87Å; S28-V31 PolarHBondContact O-N 2.93Å; S28-V31 VanDerWaalsContact O-O 3.12Å |
| 29 | G | 74.4 | Confident | 84.6 | Confident | 85 Ų | 85 | 32.4 Ų | 32.4 | 88% | 0.876 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | 25.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116 | V31 | G29-V31 VanDerWaalsContact C-N 3.25Å; G29-V31 PolarHBondContact O-N 2.86Å |
| 30 | G | 78.2 | Confident | 84.7 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 14 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S28 Q46 | S28-G30 VanDerWaalsContact C-N 3.33Å; S28-G30 PolarHBondContact O-N 3.19Å; G30-Q46 WeakPolarHBondContact O-CB 3.36Å; G30-Q46 PolarHBondContact O-N 3.14Å |
| 31 | V | 84.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.1 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | S28 G29 T43 Y44 | S28-V31 PolarHBondContact N-O 2.87Å; S28-V31 PolarHBondContact O-N 2.93Å; S28-V31 VanDerWaalsContact O-O 3.12Å; G29-V31 VanDerWaalsContact C-N 3.25Å; G29-V31 PolarHBondContact O-N 2.86Å; V31-T43 HydrophobicContact CG1-CG2 3.23Å; V31-Y44 WeakPolarHBondContact CA-O 3.44Å |
| 32 | V | 85.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129 | 175.2 | -175 | 0 | 0 | 0 | 0 | 108.5 | V24 S26 F34 Y44 Q46 L49 | V24-V32 HydrophobicContact CG1-CG1 4.11Å; S26-V32 WeakPolarHBondContact O-CA 3.4Å; V32-F34 HydrophobicContact CB-CE2 4.02Å; V32-F34 HydrophobicContact CB-CZ 4.2Å; V32-F34 HydrophobicContact CG1-CD2 4.23Å; V32-F34 HydrophobicContact CG1-CE1 3.94Å; V32-F34 HydrophobicContact CG1-CE2 3.58Å; V32-F34 HydrophobicContact CG1-CZ 3.41Å; V32-F34 VanDerWaalsContact CG1-CZ 3.41Å; V32-Y44 PolarHBondContact N-O 2.82Å; V32-Y44 PolarHBondContact O-N 3.01Å; V32-Q46 HydrophobicContact CG2-CB 4.1Å; V32-Q46 HydrophobicContact CG2-CG 4.02Å; V32-L49 HydrophobicContact CB-CD1 3.84Å; V32-L49 HydrophobicContact CG1-CD1 4.39Å; V32-L49 HydrophobicContact CG2-CD1 3.78Å |
| 33 | V | 87.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.7 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | S25 S26 V41 Y42 T43 | S25-V33 PolarHBondContact N-O 2.91Å; S26-V33 PolarHBondContact N-O 2.8Å; S26-V33 PolarHBondContact O-N 3.28Å; S26-V33 WeakPolarHBondContact OG-CG2 3.43Å; V33-V41 HydrophobicContact CG1-CG1 3.48Å; V33-V41 VanDerWaalsContact CG1-CG1 3.48Å; V33-Y42 WeakPolarHBondContact CA-O 3.31Å; V33-T43 HydrophobicContact CG2-CG2 4.17Å |
| 34 | F | 88.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.8 | 175.3 | -58.9 | -84.9 | 0 | 0 | 0 | 109.4 | V11 L13 S23 V24 V32 V41 Y42 Y44 L49 V54 | V11-F34 HydrophobicContact CG2-CD1 3.73Å; V11-F34 HydrophobicContact CG2-CE1 3.85Å; L13-F34 HydrophobicContact CD1-CD2 4.41Å; L13-F34 HydrophobicContact CD2-CB 4.35Å; S23-F34 WeakPolarHBondContact O-CA 3.46Å; V24-F34 HydrophobicContact CG2-CD1 4.03Å; V24-F34 HydrophobicContact CG2-CE1 3.77Å; V32-F34 HydrophobicContact CB-CE2 4.02Å; V32-F34 HydrophobicContact CB-CZ 4.2Å; V32-F34 HydrophobicContact CG1-CD2 4.23Å; V32-F34 HydrophobicContact CG1-CE1 3.94Å; V32-F34 HydrophobicContact CG1-CE2 3.58Å; V32-F34 HydrophobicContact CG1-CZ 3.41Å; V32-F34 VanDerWaalsContact CG1-CZ 3.41Å; F34-V41 WeakPolarHBondContact O-CA 3.28Å; F34-Y42 PolarHBondContact N-O 2.49Å; F34-Y42 PolarHBondContact O-N 2.86Å; F34-Y44 AromaticContact CD2-CD2 3.87Å; F34-Y44 HydrophobicContact CD2-CD2 3.87Å; F34-Y44 HydrophobicContact CD2-CE2 4.26Å; F34-Y44 AromaticContact CE2-CD2 3.93Å; F34-Y44 HydrophobicContact CE2-CD2 3.93Å; F34-L49 HydrophobicContact CE2-CD1 3.96Å; F34-L49 HydrophobicContact CE2-CD2 3.94Å; F34-L49 HydrophobicContact CZ-CD1 3.93Å; F34-L49 HydrophobicContact CZ-CD2 4.25Å; F34-V54 HydrophobicContact CE1-CG1 4.02Å; F34-V54 HydrophobicContact CE1-CG2 4.22Å; F34-V54 HydrophobicContact CE2-CG2 4.3Å; F34-V54 HydrophobicContact CZ-CG1 4.26Å; F34-V54 HydrophobicContact CZ-CG2 3.77Å |
| 35 | A | 88.9 | Confident | 84.4 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | G22 S23 S25 | G22-A35 CarbonylContact C-O 3.53Å; G22-A35 WeakPolarHBondContact CA-O 3.28Å; S23-A35 PolarHBondContact N-O 2.92Å; S23-A35 PolarHBondContact O-N 3.38Å; S25-A35 WeakPolarHBondContact OG-CB 3.41Å; S25-A35 PolarHBondContact OG-N 3.39Å |
| 36 | T | 88.7 | Confident | 84 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 153.3 | 172.8 | 70.7 | 0 | 0 | 0 | 0 | 110.2 | L20 P21 Y38 G39 Q40 Y42 | L20-T36 HydrophobicContact CB-CG2 4.11Å; L20-T36 HydrophobicContact CD1-CG2 4.29Å; P21-T36 VanDerWaalsContact O-CA 3.3Å; P21-T36 WeakPolarHBondContact O-CA 3.42Å; P21-T36 WeakPolarHBondContact O-CB 3.45Å; T36-Y38 PolarHBondContact O-N 3.37Å; T36-Y38 PolarHBondContact OG1-N 2.77Å; T36-G39 PolarHBondContact O-N 2.87Å; T36-Q40 HydrophobicContact CG2-CB 4.36Å; T36-Q40 PolarHBondContact N-O 2.66Å; T36-Q40 WeakPolarHBondContact OG1-CB 3.48Å; T36-Q40 PolarHBondContact OG1-N 2.76Å; T36-Q40 VanDerWaalsContact OG1-N 3.08Å; T36-Q40 PolarHBondContact OG1-O 2.97Å; T36-Y42 HydrophobicContact CG2-CD2 3.77Å; T36-Y42 HydrophobicContact CG2-CE2 3.67Å |
| 37 | D | 83.2 | Confident | 83.7 | Confident | 48 Ų | 48 | 59 Ų | 59 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -9.1 | 174.6 | -70.3 | 2.7 | 0 | 0 | 0 | 113 | R10 P21 H81 | R10-D37 IonicContact CZ-OD1 3.17Å; R10-D37 IonicContact CZ-OD2 3.65Å; R10-D37 VanDerWaalsContact CZ-OD2 3.31Å; R10-D37 VanDerWaalsContact NH1-CG 3.31Å; R10-D37 IonicContact NH1-OD1 2.87Å; R10-D37 PolarHBondContact NH1-OD1 3.08Å; R10-D37 IonicContact NH1-OD2 3.96Å; R10-D37 PolarHBondContact NH1-OD2 2.76Å; R10-D37 VanDerWaalsContact NH1-OD2 3.12Å; R10-D37 IonicContact NH2-OD1 3.61Å; R10-D37 IonicContact NH2-OD2 3.84Å; R10-D37 PolarHBondContact NH2-OD2 3.32Å; P21-D37 HydrophobicContact CG-CB 4.34Å; P21-D37 PolarHBondContact O-N 3.08Å; D37-H81 IonicContact OD2-CE1 3.56Å; D37-H81 PolarHBondContact OD2-CE1 2.96Å; D37-H81 IonicContact OD2-ND1 3.69Å; D37-H81 IonicContact OD2-NE2 2.71Å |
| 38 | Y | 82 | Confident | 83.5 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 11% | 0.114 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.1 | -178.1 | -55.3 | -41.4 | 0 | 0 | 0 | 113 | L20 P21 T36 M80 Y84 Q679 | L20-Y38 HydrophobicContact CD2-CD2 4.29Å; L20-Y38 HydrophobicContact CD2-CE2 4.3Å; P21-Y38 HydrophobicContact CG-CD2 4.32Å; P21-Y38 HydrophobicContact CG-CE1 4.36Å; P21-Y38 HydrophobicContact CG-CE2 3.53Å; P21-Y38 WeakPolarHBondContact CG-OH 3.06Å; T36-Y38 PolarHBondContact O-N 3.37Å; T36-Y38 PolarHBondContact OG1-N 2.77Å; Y38-M80 HydrophobicContact CE2-CE 3.77Å; Y38-M80 VanDerWaalsContact OH-CE 3.27Å; Y38-M80 WeakPolarHBondContact OH-CE 3.29Å; Y38-Y84 HydrophobicContact CD1-CE1 4.29Å; Y38-Y84 AromaticContact CE1-CD1 3.89Å; Y38-Y84 HydrophobicContact CE1-CD1 3.89Å; Y38-Y84 HydrophobicContact CE1-CD2 4.49Å; Y38-Y84 AromaticContact CE1-CE1 3.92Å; Y38-Y84 HydrophobicContact CE1-CE1 3.92Å; Y38-Y84 HydrophobicContact CE1-CG 4.16Å; Y38-Q679 HydrophobicContact CD1-CG 4Å; Y38-Q679 VanDerWaalsContact CD2-CD 3.42Å; Y38-Q679 HydrophobicContact CD2-CG 4.37Å; Y38-Q679 HydrophobicContact CE1-CG 3.86Å; Y38-Q679 HydrophobicContact CE2-CG 4.2Å; Y38-Q679 HydrophobicContact CG-CG 4.26Å |
| 39 | G | 81.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 83.7 | 7.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T36 | T36-G39 PolarHBondContact O-N 2.87Š|
| 40 | Q | 86.4 | Confident | 83.8 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | trans | -89.6 | 141.6 | 173.9 | -59.1 | 170.2 | -17.5 | 0 | 0 | 109.7 | T36 Y42 | T36-Q40 HydrophobicContact CG2-CB 4.36Å; T36-Q40 PolarHBondContact N-O 2.66Å; T36-Q40 WeakPolarHBondContact OG1-CB 3.48Å; T36-Q40 PolarHBondContact OG1-N 2.76Å; T36-Q40 VanDerWaalsContact OG1-N 3.08Å; T36-Q40 PolarHBondContact OG1-O 2.97Å; Q40-Y42 HydrophobicContact CB-CD2 4.38Å; Q40-Y42 HydrophobicContact CB-CE2 3.67Å; Q40-Y42 PolarHBondContact OE1-OH 2.77Å | ||
| 41 | V | 89.5 | Confident | 83.6 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 58% | 0.576 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.5 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | V33 F34 | V33-V41 HydrophobicContact CG1-CG1 3.48Å; V33-V41 VanDerWaalsContact CG1-CG1 3.48Å; F34-V41 WeakPolarHBondContact O-CA 3.28Å |
| 42 | Y | 86.7 | Confident | 83.1 | Confident | 59 Ų | 59 | 69 Ų | 69 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.1 | 177.8 | -65 | -89.2 | 0 | 0 | 0 | 110.1 | L13 E15 L20 V33 F34 T36 Q40 Y44 | L13-Y42 HydrophobicContact CD2-CD1 4.49Å; L13-Y42 HydrophobicContact CD2-CD2 3.6Å; L13-Y42 HydrophobicContact CD2-CE2 4.33Å; L13-Y42 HydrophobicContact CD2-CG 3.7Å; E15-Y42 HydrophobicContact CG-CD1 4.48Å; E15-Y42 HydrophobicContact CG-CE1 4.27Å; L20-Y42 HydrophobicContact CD1-CE2 3.81Å; V33-Y42 WeakPolarHBondContact CA-O 3.31Å; F34-Y42 PolarHBondContact N-O 2.49Å; F34-Y42 PolarHBondContact O-N 2.86Å; T36-Y42 HydrophobicContact CG2-CD2 3.77Å; T36-Y42 HydrophobicContact CG2-CE2 3.67Å; Q40-Y42 HydrophobicContact CB-CD2 4.38Å; Q40-Y42 HydrophobicContact CB-CE2 3.67Å; Q40-Y42 PolarHBondContact OE1-OH 2.77Å; Y42-Y44 VanDerWaalsContact CD1-OH 3.31Å; Y42-Y44 WeakPolarHBondContact CD1-OH 3.3Å; Y42-Y44 HydrophobicContact CG-CE2 4.37Å |
| 43 | T | 87.3 | Confident | 82.9 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.6 | -178.4 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | V31 V33 | V31-T43 HydrophobicContact CG1-CG2 3.23Å; V33-T43 HydrophobicContact CG2-CG2 4.17Å |
| 44 | Y | 85.7 | Confident | 82.6 | Confident | 38 Ų | 38 | 70 Ų | 70 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.1 | 178.2 | -58 | -80.4 | 0 | 0 | 0 | 111.4 | L13 E15 V31 V32 F34 Y42 L49 | L13-Y44 HydrophobicContact CD1-CD2 4.49Å; L13-Y44 HydrophobicContact CD1-CE2 3.81Å; L13-Y44 HydrophobicContact CD2-CE2 4.04Å; E15-Y44 VanDerWaalsContact CD-OH 3.26Å; E15-Y44 VanDerWaalsContact CG-OH 3.28Å; E15-Y44 WeakPolarHBondContact CG-OH 3.5Å; E15-Y44 WeakPolarHBondContact OE1-CE1 3.39Å; E15-Y44 VanDerWaalsContact OE1-CZ 3.27Å; E15-Y44 PolarHBondContact OE1-OH 2.93Å; V31-Y44 WeakPolarHBondContact CA-O 3.44Å; V32-Y44 PolarHBondContact N-O 2.82Å; V32-Y44 PolarHBondContact O-N 3.01Å; F34-Y44 AromaticContact CD2-CD2 3.87Å; F34-Y44 HydrophobicContact CD2-CD2 3.87Å; F34-Y44 HydrophobicContact CD2-CE2 4.26Å; F34-Y44 AromaticContact CE2-CD2 3.93Å; F34-Y44 HydrophobicContact CE2-CD2 3.93Å; Y42-Y44 VanDerWaalsContact CD1-OH 3.31Å; Y42-Y44 WeakPolarHBondContact CD1-OH 3.3Å; Y42-Y44 HydrophobicContact CG-CE2 4.37Å; Y44-L49 HydrophobicContact CD2-CD2 4.13Å; Y44-L49 HydrophobicContact CG-CD2 4.12Å |
| 45 | K | 83.7 | Confident | 82.5 | Confident | 157 Ų | 157 | 73.2 Ų | 73.2 | 68% | 0.683 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134.4 | 167.1 | -64.8 | -177 | 179.8 | -180 | 0 | 108.8 | N47 A48 | K45-N47 PolarHBondContact O-N 3.06Å; K45-N47 VanDerWaalsContact O-N 3.14Å; K45-A48 HydrophobicContact CB-CB 4.5Å; K45-A48 WeakPolarHBondContact O-CB 3.34Å; K45-A48 PolarHBondContact O-N 3.49Å |
| 46 | Q | 78.2 | Confident | 82.2 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -58.2 | -33.4 | -175.2 | -167.7 | 162.3 | -2.6 | 0 | 0 | 112.6 | G30 V32 A48 L49 | G30-Q46 WeakPolarHBondContact O-CB 3.36Å; G30-Q46 PolarHBondContact O-N 3.14Å; V32-Q46 HydrophobicContact CG2-CB 4.1Å; V32-Q46 HydrophobicContact CG2-CG 4.02Å; Q46-A48 PolarHBondContact O-N 3.43Å; Q46-L49 PolarHBondContact O-N 2.83Å |
| 47 | N | 77.8 | Confident | 82 | Confident | 152 Ų | 152 | 76.7 Ų | 76.7 | 81% | 0.813 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -70.9 | -16.9 | 178 | -57.9 | -5.2 | 0 | 0 | 0 | 113.8 | K45 | K45-N47 PolarHBondContact O-N 3.06Å; K45-N47 VanDerWaalsContact O-N 3.14Å |
| 48 | A | 77.9 | Confident | 81.7 | Confident | 65 Ų | 65 | 77.3 Ų | 77.3 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -93.4 | -4.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | K45 Q46 | K45-A48 HydrophobicContact CB-CB 4.5Å; K45-A48 WeakPolarHBondContact O-CB 3.34Å; K45-A48 PolarHBondContact O-N 3.49Å; Q46-A48 PolarHBondContact O-N 3.43Å |
| 49 | L | 78.5 | Confident | 81.3 | Confident | 34 Ų | 34 | 83 Ų | 83 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | trans | -86.3 | 119.9 | -179 | -68.8 | 170.6 | 0 | 0 | 0 | 110.8 | V32 F34 Y44 Q46 V54 | V32-L49 HydrophobicContact CB-CD1 3.84Å; V32-L49 HydrophobicContact CG1-CD1 4.39Å; V32-L49 HydrophobicContact CG2-CD1 3.78Å; F34-L49 HydrophobicContact CE2-CD1 3.96Å; F34-L49 HydrophobicContact CE2-CD2 3.94Å; F34-L49 HydrophobicContact CZ-CD1 3.93Å; F34-L49 HydrophobicContact CZ-CD2 4.25Å; Y44-L49 HydrophobicContact CD2-CD2 4.13Å; Y44-L49 HydrophobicContact CG-CD2 4.12Å; Q46-L49 PolarHBondContact O-N 2.83Å; L49-V54 HydrophobicContact CD2-CG2 3.75Å | ||
| 50 | T | 80.3 | Confident | 80.7 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | trans | -106.8 | 158.3 | 173.2 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | Q52 K53 V54 | T50-Q52 PolarHBondContact O-N 2.86Å; T50-Q52 VanDerWaalsContact O-N 3.08Å; T50-K53 PolarHBondContact O-N 2.82Å; T50-K53 PolarHBondContact OG1-N 3.14Å; T50-V54 PolarHBondContact O-N 3.15Å | ||
| 51 | R | 72.4 | Confident | 80.2 | Confident | 189 Ų | 189 | 76.9 Ų | 76.9 | 71% | 0.713 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.4 | 172.3 | -77.6 | -169.1 | 172.8 | 174.9 | 6.4 | 114.2 | F4 Q55 | F4-R51 HydrophobicContact CE1-CG 3.64Å; F4-R51 HydrophobicContact CZ-CG 3.81Å; R51-Q55 WeakPolarHBondContact O-CG 3.43Å |
| 52 | Q | 75 | Confident | 79.3 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 66% | 0.659 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -26.5 | 174.5 | -69.2 | -177.8 | -11 | 0 | 0 | 112.3 | T50 | T50-Q52 PolarHBondContact O-N 2.86Å; T50-Q52 VanDerWaalsContact O-N 3.08Å |
| 53 | K | 81.4 | Confident | 78.6 | Confident | 50 Ų | 50 | 82.1 Ų | 82.1 | 22% | 0.217 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -34.7 | 178.3 | -169.7 | 155.8 | -172.9 | 157.2 | 0 | 112.3 | L13 R14 E15 T50 | L13-K53 HydrophobicContact CD1-CG 4.38Å; R14-K53 PolarHBondContact N-O 3.22Å; E15-K53 VanDerWaalsContact CD-NZ 3.34Å; E15-K53 WeakPolarHBondContact OE1-CE 3.36Å; E15-K53 IonicContact OE1-NZ 2.76Å; E15-K53 PolarHBondContact OE1-NZ 2.89Å; E15-K53 IonicContact OE2-NZ 3.32Å; E15-K53 PolarHBondContact OE2-NZ 2.97Å; T50-K53 PolarHBondContact O-N 2.82Å; T50-K53 PolarHBondContact OG1-N 3.14Å |
| 54 | V | 82.5 | Confident | 78.1 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.012 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.9 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | F5 V11 W12 L13 F34 L49 T50 | F5-V54 HydrophobicContact CD2-CG1 4.39Å; F5-V54 HydrophobicContact CE1-CG1 4.09Å; F5-V54 HydrophobicContact CE2-CB 4.09Å; F5-V54 HydrophobicContact CE2-CG1 3.72Å; F5-V54 HydrophobicContact CZ-CB 4.09Å; F5-V54 HydrophobicContact CZ-CG1 3.55Å; V11-V54 HydrophobicContact CB-CG1 3.74Å; V11-V54 HydrophobicContact CG1-CG1 3.92Å; V11-V54 HydrophobicContact CG2-CG1 4Å; W12-V54 WeakPolarHBondContact O-CA 3.47Å; L13-V54 HydrophobicContact CD1-CG2 3.82Å; F34-V54 HydrophobicContact CE1-CG1 4.02Å; F34-V54 HydrophobicContact CE1-CG2 4.22Å; F34-V54 HydrophobicContact CE2-CG2 4.3Å; F34-V54 HydrophobicContact CZ-CG1 4.26Å; F34-V54 HydrophobicContact CZ-CG2 3.77Å; L49-V54 HydrophobicContact CD2-CG2 3.75Å; T50-V54 PolarHBondContact O-N 3.15Å |
| 55 | Q | 84.3 | Confident | 78.1 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.3 | 176.8 | -63.6 | 178.6 | -6.6 | 0 | 0 | 109.9 | V11 W12 R51 | V11-Q55 CarbonylContact C-O 3.5Å; V11-Q55 VanDerWaalsContact CA-O 3.26Å; V11-Q55 WeakPolarHBondContact CA-O 3.42Å; V11-Q55 WeakPolarHBondContact CB-O 3.41Å; W12-Q55 HydrophobicContact CB-CB 4.28Å; W12-Q55 PolarHBondContact N-O 2.99Å; W12-Q55 PolarHBondContact O-N 3.49Å; R51-Q55 WeakPolarHBondContact O-CG 3.43Å |
| 56 | P | 82.9 | Confident | 78.2 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 138.8 | 172.1 | 28.2 | -33.3 | 0 | 0 | 0 | 109.8 | ||
| 57 | M | 84.5 | Confident | 78.5 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 6% | 0.064 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 128.7 | 178.8 | -174 | 178.7 | -68.6 | 0 | 0 | 110.2 | R10 W12 P21 V62 | R10-M57 HydrophobicContact CB-CB 4.01Å; R10-M57 HydrophobicContact CB-SD 4.31Å; R10-M57 WeakPolarHBondContact O-CB 3.44Å; R10-M57 PolarHBondContact O-N 3.32Å; W12-M57 HydrophobicContact CD2-CE 3.84Å; W12-M57 HydrophobicContact CE3-CE 4.02Å; W12-M57 HydrophobicContact CG-CE 4.47Å; W12-M57 HydrophobicContact CH2-CE 4Å; W12-M57 HydrophobicContact CZ2-CE 3.87Å; W12-M57 HydrophobicContact CZ2-CG 4.12Å; W12-M57 HydrophobicContact CZ2-SD 4.34Å; W12-M57 HydrophobicContact CZ3-CE 4.11Å; P21-M57 HydrophobicContact CB-CE 3.46Å; P21-M57 VanDerWaalsContact CB-CE 3.46Å; M57-V62 HydrophobicContact CB-CG2 4.38Å; M57-V62 HydrophobicContact CG-CG2 3.85Å; M57-V62 HydrophobicContact SD-CG2 3.76Å |
| 58 | H | 78.4 | Confident | 79 | Confident | 61 Ų | 61 | 67 Ų | 67 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 150.1 | 179 | -170.8 | -102.7 | 0 | 0 | 0 | 112 | S60 S61 V62 E72 D73 | H58-S60 PolarHBondContact ND1-N 3.14Å; H58-S60 PolarHBondContact ND1-OG 3.48Å; H58-S60 PolarHBondContact O-N 3.01Å; H58-S60 VanDerWaalsContact O-N 3.13Å; H58-S61 WeakPolarHBondContact O-CB 3.45Å; H58-S61 PolarHBondContact O-N 3.43Å; H58-V62 PolarHBondContact O-N 3.41Å; H58-E72 HydrophobicContact CB-CB 4.39Å; H58-E72 IonicContact CD2-OE2 3.74Å; H58-E72 PolarHBondContact CD2-OE2 3.03Å; H58-E72 IonicContact CE1-OE1 3.94Å; H58-E72 PolarHBondContact CE1-OE1 2.87Å; H58-E72 IonicContact CE1-OE2 3.91Å; H58-E72 PolarHBondContact CE1-OE2 2.98Å; H58-E72 VanDerWaalsContact CE1-OE2 3.26Å; H58-E72 IonicContact CG-OE2 2.97Å; H58-E72 IonicContact ND1-OE1 3.88Å; H58-E72 IonicContact ND1-OE2 3.99Å; H58-E72 IonicContact NE2-OE1 2.69Å; H58-E72 IonicContact NE2-OE2 2.85Å; H58-E72 PolarHBondContact NE2-OE2 3.23Å; H58-D73 WeakPolarHBondContact CB-OD2 3.34Å; H58-D73 PolarHBondContact N-OD2 2.9Å |
| 59 | H | 73.4 | Confident | 79.2 | Confident | 147 Ų | 147 | 64.6 Ų | 64.6 | 68% | 0.681 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.6 | -31.4 | -177.5 | -67.6 | 178.2 | 0 | 0 | 0 | 113.7 | S61 V62 R63 | H59-S61 VanDerWaalsContact C-N 3.31Å; H59-S61 PolarHBondContact O-N 2.88Å; H59-V62 PolarHBondContact O-N 3.43Å; H59-R63 PolarHBondContact O-N 2.98Å |
| 60 | S | 68.7 | Low | 79.4 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.7 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | H58 V62 G64 | H58-S60 PolarHBondContact ND1-N 3.14Å; H58-S60 PolarHBondContact ND1-OG 3.48Å; H58-S60 PolarHBondContact O-N 3.01Å; H58-S60 VanDerWaalsContact O-N 3.13Å; S60-V62 VanDerWaalsContact C-N 3.31Å; S60-G64 PolarHBondContact O-N 2.97Å |
| 61 | S | 74.9 | Confident | 79.4 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.4 | -23.5 | -179.2 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | H58 H59 D73 H81 | H58-S61 WeakPolarHBondContact O-CB 3.45Å; H58-S61 PolarHBondContact O-N 3.43Å; H59-S61 VanDerWaalsContact C-N 3.31Å; H59-S61 PolarHBondContact O-N 2.88Å; S61-D73 PolarHBondContact OG-OD2 3.04Å; S61-H81 PolarHBondContact O-CD2 3.02Å |
| 62 | V | 70.8 | Confident | 79.7 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 30% | 0.303 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -76.3 | -39.9 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | R10 M57 H58 H59 S60 Q85 | R10-V62 HydrophobicContact CB-CG2 4.24Å; R10-V62 HydrophobicContact CG-CG2 4.39Å; M57-V62 HydrophobicContact CB-CG2 4.38Å; M57-V62 HydrophobicContact CG-CG2 3.85Å; M57-V62 HydrophobicContact SD-CG2 3.76Å; H58-V62 PolarHBondContact O-N 3.41Å; H59-V62 PolarHBondContact O-N 3.43Å; S60-V62 VanDerWaalsContact C-N 3.31Å; V62-Q85 PolarHBondContact O-NE2 2.88Å |
| 63 | R | 72.7 | Confident | 80 | Confident | 214 Ų | 214 | 53.8 Ų | 53.8 | 81% | 0.808 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -90.7 | -17.6 | -175.2 | -67.4 | -175.8 | 179.5 | -179 | 0.3 | 114.3 | H59 | H59-R63 PolarHBondContact O-N 2.98Å |
| 64 | G | 76.6 | Confident | 80.1 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | trans | 77.7 | 150.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S60 N82 | S60-G64 PolarHBondContact O-N 2.97Å; G64-N82 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 65 | V | 84.1 | Confident | 80.3 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | trans | -128.8 | 147.8 | -177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | D67 L71 N82 R86 | V65-D67 WeakPolarHBondContact CG2-O 3.26Å; V65-L71 HydrophobicContact CG1-CD2 4.18Å; V65-L71 HydrophobicContact CG2-CD1 4.47Å; V65-L71 HydrophobicContact CG2-CD2 3.55Å; V65-L71 HydrophobicContact CG2-CG 3.72Å; V65-N82 PolarHBondContact N-OD1 2.88Å; V65-N82 PolarHBondContact O-ND2 2.81Å; V65-N82 VanDerWaalsContact O-ND2 3.17Å; V65-N82 PolarHBondContact O-OD1 2.91Å; V65-R86 WeakPolarHBondContact O-CD 3.48Å | ||
| 66 | E | 86.1 | Confident | 80.4 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -74.1 | -33.3 | 176.5 | -68.1 | -169.9 | 162 | 0 | 0 | 112.9 | T94 Y95 P131 | E66-T94 WeakPolarHBondContact O-CG2 3.31Å; E66-Y95 PolarHBondContact O-N 3.43Å; E66-P131 HydrophobicContact CB-CG 3.71Å; E66-P131 HydrophobicContact CG-CG 4.2Å; E66-P131 WeakPolarHBondContact O-CG 3.31Å |
| 67 | D | 85.9 | Confident | 80.6 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -122.2 | 118.2 | 176.2 | -176 | -5.9 | 0 | 0 | 0 | 110.2 | V65 A69 T70 Y95 I96 G97 | V65-D67 WeakPolarHBondContact CG2-O 3.26Å; D67-A69 PolarHBondContact O-N 3.08Å; D67-A69 WeakPolarHBondContact OD1-CB 3.46Å; D67-A69 PolarHBondContact OD1-N 2.62Å; D67-T70 HydrophobicContact CB-CG2 4.3Å; D67-T70 WeakPolarHBondContact O-CB 3.3Å; D67-T70 PolarHBondContact O-N 3.21Å; D67-T70 PolarHBondContact O-OG1 3.05Å; D67-Y95 WeakPolarHBondContact CA-O 3.42Å; D67-I96 WeakPolarHBondContact OD1-CA 3.41Å; D67-G97 PolarHBondContact OD1-N 3.42Å |
| 68 | M | 87.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -68.9 | -16.1 | -177.3 | -62.7 | -167.7 | -67.6 | 0 | 0 | 113.1 | T70 L71 I79 N82 L83 T94 Y95 I96 A101 M691 V695 | M68-T70 PolarHBondContact O-N 3.13Å; M68-L71 HydrophobicContact CB-CD1 4Å; M68-L71 HydrophobicContact CG-CD1 4.2Å; M68-L71 WeakPolarHBondContact O-CB 3.48Å; M68-L71 PolarHBondContact O-N 3.46Å; M68-L71 VanDerWaalsContact O-N 3.15Å; M68-I79 HydrophobicContact CE-CG2 4.02Å; M68-I79 HydrophobicContact SD-CB 4.41Å; M68-I79 HydrophobicContact SD-CG2 3.71Å; M68-N82 WeakPolarHBondContact CG-ND2 3.25Å; M68-L83 HydrophobicContact CE-CD2 4.43Å; M68-L83 HydrophobicContact SD-CD2 4.31Å; M68-L83 HydrophobicContact SD-CG 4.33Å; M68-T94 HydrophobicContact CE-CG2 4.44Å; M68-T94 HydrophobicContact CG-CG2 3.71Å; M68-T94 HydrophobicContact SD-CG2 4.15Å; M68-Y95 PolarHBondContact N-O 3.03Å; M68-I96 HydrophobicContact CB-CG1 4.33Å; M68-I96 HydrophobicContact CE-CD1 3.38Å; M68-I96 HydrophobicContact CE-CG1 3.36Å; M68-A101 HydrophobicContact CE-CB 4.45Å; M68-M691 HydrophobicContact CE-CE 4.29Å; M68-V695 HydrophobicContact CB-CG1 4.45Å; M68-V695 HydrophobicContact CB-CG2 4.03Å; M68-V695 WeakPolarHBondContact O-CG1 3.48Å |
| 69 | A | 83.4 | Confident | 81.4 | Confident | 16 Ų | 16 | 45 Ų | 45 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -64.9 | -16.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D67 R699 | D67-A69 PolarHBondContact O-N 3.08Å; D67-A69 WeakPolarHBondContact OD1-CB 3.46Å; D67-A69 PolarHBondContact OD1-N 2.62Å; A69-R699 HydrophobicContact CB-CB 4.45Å; A69-R699 WeakPolarHBondContact O-CG 3.33Å |
| 70 | T | 80.9 | Confident | 82.3 | Confident | 82 Ų | 82 | 38 Ų | 38 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -87.7 | -6.9 | 176 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | D67 M68 E72 | D67-T70 HydrophobicContact CB-CG2 4.3Å; D67-T70 WeakPolarHBondContact O-CB 3.3Å; D67-T70 PolarHBondContact O-N 3.21Å; D67-T70 PolarHBondContact O-OG1 3.05Å; M68-T70 PolarHBondContact O-N 3.13Å; T70-E72 PolarHBondContact O-N 2.85Å |
| 71 | L | 80.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -64.5 | 131.7 | 176.7 | -71.6 | 173.1 | 0 | 0 | 0 | 110.6 | V65 M68 L74 I79 R699 | V65-L71 HydrophobicContact CG1-CD2 4.18Å; V65-L71 HydrophobicContact CG2-CD1 4.47Å; V65-L71 HydrophobicContact CG2-CD2 3.55Å; V65-L71 HydrophobicContact CG2-CG 3.72Å; M68-L71 HydrophobicContact CB-CD1 4Å; M68-L71 HydrophobicContact CG-CD1 4.2Å; M68-L71 WeakPolarHBondContact O-CB 3.48Å; M68-L71 PolarHBondContact O-N 3.46Å; M68-L71 VanDerWaalsContact O-N 3.15Å; L71-L74 HydrophobicContact CB-CD2 4.29Å; L71-I79 HydrophobicContact CD1-CG1 4.46Å; L71-R699 PolarHBondContact O-NH1 3.48Å | ||
| 72 | E | 79.3 | Confident | 84.2 | Confident | 108 Ų | 108 | 37 Ų | 37 | 51% | 0.505 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -78.3 | -46.8 | 172.9 | -65.4 | -165.1 | -166.7 | 0 | 0 | 111.3 | H58 T70 L74 R699 | H58-E72 HydrophobicContact CB-CB 4.39Å; H58-E72 IonicContact CD2-OE2 3.74Å; H58-E72 PolarHBondContact CD2-OE2 3.03Å; H58-E72 IonicContact CE1-OE1 3.94Å; H58-E72 PolarHBondContact CE1-OE1 2.87Å; H58-E72 IonicContact CE1-OE2 3.91Å; H58-E72 PolarHBondContact CE1-OE2 2.98Å; H58-E72 VanDerWaalsContact CE1-OE2 3.26Å; H58-E72 IonicContact CG-OE2 2.97Å; H58-E72 IonicContact ND1-OE1 3.88Å; H58-E72 IonicContact ND1-OE2 3.99Å; H58-E72 IonicContact NE2-OE1 2.69Å; H58-E72 IonicContact NE2-OE2 2.85Å; H58-E72 PolarHBondContact NE2-OE2 3.23Å; T70-E72 PolarHBondContact O-N 2.85Å; E72-L74 PolarHBondContact O-N 2.83Å; E72-R699 PolarHBondContact O-NH1 3.26Å |
| 73 | D | 81.9 | Confident | 85.3 | Confident | 29 Ų | 29 | 34.7 Ų | 34.7 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -74.9 | 113.5 | 173.8 | -56.5 | -30 | 0 | 0 | 0 | 110 | W12 H58 S61 A78 | W12-D73 PolarHBondContact NE1-OD2 2.95Å; H58-D73 WeakPolarHBondContact CB-OD2 3.34Å; H58-D73 PolarHBondContact N-OD2 2.9Å; S61-D73 PolarHBondContact OG-OD2 3.04Å; D73-A78 HydrophobicContact CB-CB 4.11Å; D73-A78 WeakPolarHBondContact O-CB 3.4Å |
| 74 | L | 83.7 | Confident | 86.2 | Confident | 49 Ų | 49 | 26.2 Ų | 26.2 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | trans | -115.4 | 85.7 | -178.5 | -72.3 | -179.3 | 0 | 0 | 0 | 112.2 | L71 E72 V695 K696 R699 | L71-L74 HydrophobicContact CB-CD2 4.29Å; E72-L74 PolarHBondContact O-N 2.83Å; L74-V695 HydrophobicContact CD2-CG1 3.54Å; L74-K696 HydrophobicContact CD1-CG 4.33Å; L74-R699 VanDerWaalsContact CG-NH1 3.34Å | ||
| 75 | H | 86.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -147.3 | 163 | 169.5 | 52 | 74.8 | 0 | 0 | 0 | 109.8 | W12 F19 G77 A78 I79 | W12-H75 AromaticContact CD1-NE2 3.78Å; W12-H75 AromaticContact CD2-CE1 3.48Å; W12-H75 VanDerWaalsContact CD2-CE1 3.48Å; W12-H75 AromaticContact CD2-NE2 3.71Å; W12-H75 AromaticContact CE2-CE1 3.52Å; W12-H75 AromaticContact CE2-NE2 3.61Å; W12-H75 AromaticContact CE3-CE1 3.64Å; W12-H75 AromaticContact CG-NE2 3.83Å; W12-H75 AromaticContact CH2-CE1 3.96Å; W12-H75 AromaticContact CZ2-CE1 3.77Å; W12-H75 AromaticContact CZ3-CE1 3.87Å; W12-H75 AromaticContact NE1-NE2 3.63Å; F19-H75 WeakPolarHBondContact CB-ND1 3.48Å; F19-H75 HydrophobicContact CD2-CB 3.81Å; F19-H75 AromaticContact CD2-CG 3.75Å; F19-H75 AromaticContact CD2-ND1 3.9Å; F19-H75 HydrophobicContact CE2-CB 4.08Å; F19-H75 HydrophobicContact CG-CB 4.44Å; F19-H75 AromaticContact CG-CE1 3.95Å; F19-H75 AromaticContact CG-CG 3.89Å; F19-H75 AromaticContact CG-ND1 3.72Å; H75-G77 PolarHBondContact ND1-N 3.29Å; H75-G77 PolarHBondContact O-N 3.06Å; H75-G77 VanDerWaalsContact O-N 3.15Å; H75-A78 VanDerWaalsContact CE1-CB 3.49Å; H75-A78 WeakPolarHBondContact CE1-CB 3.43Å; H75-A78 PolarHBondContact CE1-N 3.17Å; H75-A78 VanDerWaalsContact CE1-N 3.27Å; H75-A78 PolarHBondContact ND1-N 2.85Å; H75-A78 PolarHBondContact O-N 3.18Å; H75-I79 PolarHBondContact O-N 3.06Å |
| 76 | D | 86.1 | Confident | 87.3 | Confident | 32 Ų | 32 | 26.1 Ų | 26.1 | 17% | 0.171 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.1 | -41.6 | -176.6 | -62.2 | -23.6 | 0 | 0 | 0 | 112.5 | A78 I79 M80 L683 R687 L692 | D76-A78 VanDerWaalsContact C-N 3.34Å; D76-A78 PolarHBondContact O-N 2.74Å; D76-I79 PolarHBondContact O-N 2.81Å; D76-M80 WeakPolarHBondContact O-CB 3.3Å; D76-M80 PolarHBondContact O-N 3.08Å; D76-L683 HydrophobicContact CB-CD1 3.62Å; D76-R687 IonicContact OD2-CZ 3.9Å; D76-R687 IonicContact OD2-NE 2.93Å; D76-R687 PolarHBondContact OD2-NE 3.02Å; D76-R687 VanDerWaalsContact OD2-NE 3.11Å; D76-R687 IonicContact OD2-NH2 2.66Å; D76-L692 WeakPolarHBondContact OD1-CB 3.16Å; D76-L692 WeakPolarHBondContact OD1-CD2 3.09Å |
| 77 | G | 87.3 | Confident | 87.6 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -35.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F19 H75 H81 | F19-G77 WeakPolarHBondContact O-CA 3.34Å; H75-G77 PolarHBondContact ND1-N 3.29Å; H75-G77 PolarHBondContact O-N 3.06Å; H75-G77 VanDerWaalsContact O-N 3.15Å; G77-H81 WeakPolarHBondContact O-CB 3.34Å; G77-H81 PolarHBondContact O-N 3.26Å |
| 78 | A | 88.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.4 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W12 D73 H75 D76 H81 N82 | W12-A78 HydrophobicContact CH2-CB 4.11Å; W12-A78 HydrophobicContact CZ2-CB 3.81Å; D73-A78 HydrophobicContact CB-CB 4.11Å; D73-A78 WeakPolarHBondContact O-CB 3.4Å; H75-A78 VanDerWaalsContact CE1-CB 3.49Å; H75-A78 WeakPolarHBondContact CE1-CB 3.43Å; H75-A78 PolarHBondContact CE1-N 3.17Å; H75-A78 VanDerWaalsContact CE1-N 3.27Å; H75-A78 PolarHBondContact ND1-N 2.85Å; H75-A78 PolarHBondContact O-N 3.18Å; D76-A78 VanDerWaalsContact C-N 3.34Å; D76-A78 PolarHBondContact O-N 2.74Å; A78-H81 PolarHBondContact O-N 2.82Å; A78-N82 WeakPolarHBondContact O-CB 3.46Å; A78-N82 PolarHBondContact O-N 2.97Å |
| 79 | I | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 175.3 | -64.3 | 175 | 0 | 0 | 0 | 109.7 | M68 L71 H75 D76 H81 N82 L83 L686 L692 V695 | M68-I79 HydrophobicContact CE-CG2 4.02Å; M68-I79 HydrophobicContact SD-CB 4.41Å; M68-I79 HydrophobicContact SD-CG2 3.71Å; L71-I79 HydrophobicContact CD1-CG1 4.46Å; H75-I79 PolarHBondContact O-N 3.06Å; D76-I79 PolarHBondContact O-N 2.81Å; I79-H81 PolarHBondContact O-N 3.33Å; I79-N82 PolarHBondContact O-N 3.3Å; I79-L83 HydrophobicContact CG2-CD1 4.49Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 2.95Å; I79-L83 VanDerWaalsContact O-N 3.08Å; I79-L686 HydrophobicContact CB-CD1 4.5Å; I79-L686 HydrophobicContact CG2-CD1 3.89Å; I79-L686 HydrophobicContact CG2-CD2 4.06Å; I79-L692 HydrophobicContact CD1-CB 4.15Å; I79-L692 HydrophobicContact CD1-CD1 3.79Å; I79-V695 HydrophobicContact CD1-CB 4.34Å; I79-V695 HydrophobicContact CD1-CG2 3.95Å |
| 80 | M | 92.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 177.9 | -177.1 | -178.1 | 75.2 | 0 | 0 | 111.8 | Y38 D76 N82 L83 Y84 F677 Q679 L683 L686 | Y38-M80 HydrophobicContact CE2-CE 3.77Å; Y38-M80 VanDerWaalsContact OH-CE 3.27Å; Y38-M80 WeakPolarHBondContact OH-CE 3.29Å; D76-M80 WeakPolarHBondContact O-CB 3.3Å; D76-M80 PolarHBondContact O-N 3.08Å; M80-N82 PolarHBondContact O-N 2.77Å; M80-L83 PolarHBondContact O-N 2.84Å; M80-Y84 WeakPolarHBondContact O-CB 3.37Å; M80-Y84 PolarHBondContact O-N 2.74Å; M80-F677 HydrophobicContact CG-CE1 4.2Å; M80-F677 HydrophobicContact CG-CZ 4.48Å; M80-Q679 HydrophobicContact CE-CB 4.06Å; M80-Q679 HydrophobicContact CE-CG 4.11Å; M80-Q679 HydrophobicContact SD-CB 3.82Å; M80-Q679 HydrophobicContact SD-CG 4.24Å; M80-L683 HydrophobicContact SD-CB 3.86Å; M80-L683 HydrophobicContact SD-CD1 4.16Å; M80-L683 HydrophobicContact SD-CG 4.47Å; M80-L686 HydrophobicContact CB-CD1 3.9Å |
| 81 | H | 91.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 179.1 | -174.7 | 58 | 0 | 0 | 0 | 112 | R10 W12 P21 D37 S61 G77 A78 I79 L83 Y84 Q85 | R10-H81 PolarHBondContact NH2-NE2 3.39Å; W12-H81 HydrophobicContact CH2-CB 3.68Å; W12-H81 HydrophobicContact CZ3-CB 4.29Å; P21-H81 HydrophobicContact CG-CB 4.2Å; P21-H81 WeakPolarHBondContact CG-ND1 3.1Å; D37-H81 IonicContact OD2-CE1 3.56Å; D37-H81 PolarHBondContact OD2-CE1 2.96Å; D37-H81 IonicContact OD2-ND1 3.69Å; D37-H81 IonicContact OD2-NE2 2.71Å; S61-H81 PolarHBondContact O-CD2 3.02Å; G77-H81 WeakPolarHBondContact O-CB 3.34Å; G77-H81 PolarHBondContact O-N 3.26Å; A78-H81 PolarHBondContact O-N 2.82Å; I79-H81 PolarHBondContact O-N 3.33Å; H81-L83 PolarHBondContact O-N 3.43Å; H81-Y84 WeakPolarHBondContact O-CB 3.24Å; H81-Y84 PolarHBondContact O-N 3.04Å; H81-Q85 VanDerWaalsContact NE2-CD 3.34Å; H81-Q85 PolarHBondContact NE2-NE2 2.97Å; H81-Q85 WeakPolarHBondContact O-CG 3.25Å; H81-Q85 PolarHBondContact O-N 3.29Å |
| 82 | N | 91.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.7 | -175.1 | 52.6 | 0 | 0 | 0 | 111.7 | G64 V65 M68 A78 I79 M80 Y84 R86 | G64-N82 WeakPolarHBondContact CA-OD1 3.42Å; V65-N82 PolarHBondContact N-OD1 2.88Å; V65-N82 PolarHBondContact O-ND2 2.81Å; V65-N82 VanDerWaalsContact O-ND2 3.17Å; V65-N82 PolarHBondContact O-OD1 2.91Å; M68-N82 WeakPolarHBondContact CG-ND2 3.25Å; A78-N82 WeakPolarHBondContact O-CB 3.46Å; A78-N82 PolarHBondContact O-N 2.97Å; I79-N82 PolarHBondContact O-N 3.3Å; M80-N82 PolarHBondContact O-N 2.77Å; N82-Y84 VanDerWaalsContact C-N 3.32Å; N82-Y84 PolarHBondContact O-N 2.97Å; N82-R86 WeakPolarHBondContact O-CB 3.43Å; N82-R86 VanDerWaalsContact O-CG 3.22Å; N82-R86 WeakPolarHBondContact O-CG 3.37Å; N82-R86 PolarHBondContact O-N 2.93Å; N82-R86 VanDerWaalsContact O-N 3.1Å |
| 83 | L | 93.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.8 | -67.9 | 177.3 | 0 | 0 | 0 | 111.9 | M68 I79 M80 H81 Y87 T94 A101 V103 I666 F677 L686 | M68-L83 HydrophobicContact CE-CD2 4.43Å; M68-L83 HydrophobicContact SD-CD2 4.31Å; M68-L83 HydrophobicContact SD-CG 4.33Å; I79-L83 HydrophobicContact CG2-CD1 4.49Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 2.95Å; I79-L83 VanDerWaalsContact O-N 3.08Å; M80-L83 PolarHBondContact O-N 2.84Å; H81-L83 PolarHBondContact O-N 3.43Å; L83-Y87 WeakPolarHBondContact O-CB 3.46Å; L83-Y87 PolarHBondContact O-N 2.74Å; L83-T94 HydrophobicContact CD2-CG2 4.47Å; L83-A101 HydrophobicContact CD2-CB 4.38Å; L83-V103 HydrophobicContact CD2-CG2 4.35Å; L83-I666 HydrophobicContact CD1-CD1 3.7Å; L83-F677 HydrophobicContact CB-CZ 4.47Å; L83-L686 HydrophobicContact CD1-CD1 4.3Å; L83-L686 HydrophobicContact CD1-CD2 3.9Å |
| 84 | Y | 92.3 | Very high | 91 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -50.8 | 177.7 | 174.7 | -106.3 | 0 | 0 | 0 | 112.3 | Y38 M80 H81 N82 R86 Y87 Q88 F677 | Y38-Y84 HydrophobicContact CD1-CE1 4.29Å; Y38-Y84 AromaticContact CE1-CD1 3.89Å; Y38-Y84 HydrophobicContact CE1-CD1 3.89Å; Y38-Y84 HydrophobicContact CE1-CD2 4.49Å; Y38-Y84 AromaticContact CE1-CE1 3.92Å; Y38-Y84 HydrophobicContact CE1-CE1 3.92Å; Y38-Y84 HydrophobicContact CE1-CG 4.16Å; M80-Y84 WeakPolarHBondContact O-CB 3.37Å; M80-Y84 PolarHBondContact O-N 2.74Å; H81-Y84 WeakPolarHBondContact O-CB 3.24Å; H81-Y84 PolarHBondContact O-N 3.04Å; N82-Y84 VanDerWaalsContact C-N 3.32Å; N82-Y84 PolarHBondContact O-N 2.97Å; Y84-R86 VanDerWaalsContact C-N 3.33Å; Y84-R86 PolarHBondContact O-N 2.82Å; Y84-Y87 WeakPolarHBondContact O-CB 3.41Å; Y84-Y87 PolarHBondContact O-N 3.2Å; Y84-Q88 HydrophobicContact CE1-CG 4.41Å; Y84-Q88 HydrophobicContact CE2-CG 4.31Å; Y84-Q88 WeakPolarHBondContact O-CG 3.42Å; Y84-Q88 PolarHBondContact O-N 3.37Å; Y84-Q88 PolarHBondContact OH-NE2 2.96Å; Y84-F677 HydrophobicContact CD2-CB 3.89Å; Y84-F677 AromaticContact CD2-CD1 3.57Å; Y84-F677 HydrophobicContact CD2-CD1 3.57Å; Y84-F677 HydrophobicContact CD2-CD2 4.37Å; Y84-F677 HydrophobicContact CD2-CE1 4.09Å; Y84-F677 AromaticContact CD2-CG 3.71Å; Y84-F677 HydrophobicContact CD2-CG 3.71Å; Y84-F677 HydrophobicContact CE2-CB 4.11Å; Y84-F677 HydrophobicContact CE2-CD1 4.33Å; Y84-F677 HydrophobicContact CE2-CG 4.4Å; Y84-F677 HydrophobicContact CG-CD1 4.42Å |
| 85 | Q | 91.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 178.6 | -72.5 | -171.4 | -33.8 | 0 | 0 | 111.6 | V62 H81 Q88 Q89 | V62-Q85 PolarHBondContact O-NE2 2.88Å; H81-Q85 VanDerWaalsContact NE2-CD 3.34Å; H81-Q85 PolarHBondContact NE2-NE2 2.97Å; H81-Q85 WeakPolarHBondContact O-CG 3.25Å; H81-Q85 PolarHBondContact O-N 3.29Å; Q85-Q88 PolarHBondContact O-N 3.25Å; Q85-Q89 WeakPolarHBondContact O-CG 3.17Å; Q85-Q89 PolarHBondContact O-N 2.77Å; Q85-Q89 VanDerWaalsContact O-N 3.16Å |
| 86 | R | 92.5 | Very high | 91.5 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 5% | 0.045 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.9 | -68.3 | 178.1 | 66.6 | 65.3 | 7.8 | 111.6 | V65 N82 Y84 Q88 Q89 R90 Q91 Y93 T94 | V65-R86 WeakPolarHBondContact O-CD 3.48Å; N82-R86 WeakPolarHBondContact O-CB 3.43Å; N82-R86 VanDerWaalsContact O-CG 3.22Å; N82-R86 WeakPolarHBondContact O-CG 3.37Å; N82-R86 PolarHBondContact O-N 2.93Å; N82-R86 VanDerWaalsContact O-N 3.1Å; Y84-R86 VanDerWaalsContact C-N 3.33Å; Y84-R86 PolarHBondContact O-N 2.82Å; R86-Q88 PolarHBondContact O-N 3.35Å; R86-Q89 CarbonylContact O-C 3.5Å; R86-Q89 WeakPolarHBondContact O-CA 3.27Å; R86-Q89 PolarHBondContact O-N 3.47Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; R86-R90 PolarHBondContact O-N 2.9Å; R86-Q91 CarbonylContact C-O 3.59Å; R86-Q91 HydrophobicContact CB-CB 4.14Å; R86-Q91 WeakPolarHBondContact CB-O 3.34Å; R86-Q91 WeakPolarHBondContact O-CA 3.39Å; R86-Q91 WeakPolarHBondContact O-CB 3.42Å; R86-Q91 PolarHBondContact O-N 3.04Å; R86-Y93 PolarHBondContact NE-O 2.89Å; R86-Y93 PolarHBondContact NH2-O 2.87Å; R86-T94 WeakPolarHBondContact CD-OG1 3.25Å; R86-T94 PolarHBondContact NE-OG1 3.11Å |
| 87 | Y | 92.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 175.8 | -174.2 | -101.9 | 0 | 0 | 0 | 111.9 | L83 Y84 Q89 R90 V103 P668 F677 | L83-Y87 WeakPolarHBondContact O-CB 3.46Å; L83-Y87 PolarHBondContact O-N 2.74Å; Y84-Y87 WeakPolarHBondContact O-CB 3.41Å; Y84-Y87 PolarHBondContact O-N 3.2Å; Y87-Q89 PolarHBondContact O-N 2.88Å; Y87-R90 WeakPolarHBondContact O-CA 3.21Å; Y87-R90 PolarHBondContact O-N 3.25Å; Y87-V103 HydrophobicContact CD2-CB 4.02Å; Y87-V103 HydrophobicContact CD2-CG1 3.54Å; Y87-V103 HydrophobicContact CE2-CB 4.46Å; Y87-V103 HydrophobicContact CE2-CG1 3.73Å; Y87-V103 HydrophobicContact CG-CG1 4.37Å; Y87-P668 HydrophobicContact CE2-CB 4.45Å; Y87-F677 HydrophobicContact CD1-CB 4.07Å; Y87-F677 AromaticContact CD1-CD2 3.84Å; Y87-F677 HydrophobicContact CD1-CD2 3.84Å; Y87-F677 HydrophobicContact CD1-CG 4.43Å; Y87-F677 HydrophobicContact CE1-CB 4.22Å; Y87-F677 HydrophobicContact CE1-CD2 4.39Å; Y87-F677 AromaticContact CG-CD2 3.99Å; Y87-F677 HydrophobicContact CG-CD2 3.99Å |
| 88 | Q | 90.3 | Very high | 91.1 | Very high | 118 Ų | 118 | 28 Ų | 28 | 55% | 0.551 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -60.5 | -34 | 173.9 | -72 | -174.3 | -41.2 | 0 | 0 | 112.8 | Y84 Q85 R86 R90 | Y84-Q88 HydrophobicContact CE1-CG 4.41Å; Y84-Q88 HydrophobicContact CE2-CG 4.31Å; Y84-Q88 WeakPolarHBondContact O-CG 3.42Å; Y84-Q88 PolarHBondContact O-N 3.37Å; Y84-Q88 PolarHBondContact OH-NE2 2.96Å; Q85-Q88 PolarHBondContact O-N 3.25Å; R86-Q88 PolarHBondContact O-N 3.35Å; Q88-R90 PolarHBondContact O-N 2.97Å |
| 89 | Q | 90.6 | Very high | 91.2 | Very high | 115 Ų | 115 | 28 Ų | 28 | 54% | 0.537 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 8.5 | 174.2 | -64.2 | 174 | 8.4 | 0 | 0 | 113.5 | Q85 R86 Y87 Q91 | Q85-Q89 WeakPolarHBondContact O-CG 3.17Å; Q85-Q89 PolarHBondContact O-N 2.77Å; Q85-Q89 VanDerWaalsContact O-N 3.16Å; R86-Q89 CarbonylContact O-C 3.5Å; R86-Q89 WeakPolarHBondContact O-CA 3.27Å; R86-Q89 PolarHBondContact O-N 3.47Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; Y87-Q89 PolarHBondContact O-N 2.88Å; Q89-Q91 HydrophobicContact CB-CG 4.35Å; Q89-Q91 PolarHBondContact O-N 2.88Å |
| 90 | R | 91.1 | Very high | 91.4 | Very high | 133 Ų | 133 | 28 Ų | 28 | 50% | 0.502 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 22.7 | -175.1 | -56.8 | -178.9 | 171.5 | -149 | -10.3 | 114 | R86 Y87 Q88 L109 D675 | R86-R90 PolarHBondContact O-N 2.9Å; Y87-R90 WeakPolarHBondContact O-CA 3.21Å; Y87-R90 PolarHBondContact O-N 3.25Å; Q88-R90 PolarHBondContact O-N 2.97Å; R90-L109 HydrophobicContact CB-CD2 4.28Å; R90-D675 IonicContact NH2-OD2 2.73Å |
| 91 | Q | 92.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 27.9 Ų | 27.9 | 35% | 0.35 | 13% | 0.126 | S | C | . | . | trans | -95.6 | 92.6 | 172.4 | -62.8 | -171.9 | -10 | 0 | 0 | 109.8 | R86 Q89 Y93 | R86-Q91 CarbonylContact C-O 3.59Å; R86-Q91 HydrophobicContact CB-CB 4.14Å; R86-Q91 WeakPolarHBondContact CB-O 3.34Å; R86-Q91 WeakPolarHBondContact O-CA 3.39Å; R86-Q91 WeakPolarHBondContact O-CB 3.42Å; R86-Q91 PolarHBondContact O-N 3.04Å; Q89-Q91 HydrophobicContact CB-CG 4.35Å; Q89-Q91 PolarHBondContact O-N 2.88Å; Q91-Y93 PolarHBondContact O-N 3.41Å | ||
| 92 | I | 95 | Very high | 91.8 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.036 | 13% | 0.129 | C | C | . | . | trans | -80.5 | -15 | -172.6 | 60.8 | 169.5 | 0 | 0 | 0 | 114.9 | A102 V103 P105 L109 L112 Y113 | I92-A102 WeakPolarHBondContact O-CA 3.45Å; I92-V103 WeakPolarHBondContact CB-O 3.18Å; I92-V103 WeakPolarHBondContact CG2-O 3.36Å; I92-V103 PolarHBondContact O-N 3.06Å; I92-P105 HydrophobicContact CD1-CG 4.25Å; I92-P105 HydrophobicContact CG2-CB 3.95Å; I92-P105 HydrophobicContact CG2-CG 4.21Å; I92-L109 HydrophobicContact CD1-CD1 4.24Å; I92-L109 HydrophobicContact CG1-CD1 4.43Å; I92-L109 HydrophobicContact CG2-CD1 3.92Å; I92-L112 HydrophobicContact CD1-CD2 3.91Å; I92-L112 HydrophobicContact CG1-CD2 4.2Å; I92-Y113 VanDerWaalsContact CD1-OH 3.29Å; I92-Y113 WeakPolarHBondContact CD1-OH 3.4Å | ||
| 93 | Y | 96 | Very high | 92 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.5 | -173.9 | -68.8 | -57.6 | 0 | 0 | 0 | 111.2 | R86 Q91 L100 A101 A102 L112 Y113 P131 H132 I133 | R86-Y93 PolarHBondContact NE-O 2.89Å; R86-Y93 PolarHBondContact NH2-O 2.87Å; Q91-Y93 PolarHBondContact O-N 3.41Å; Y93-L100 HydrophobicContact CD1-CD1 4.15Å; Y93-L100 HydrophobicContact CD1-CD2 3.88Å; Y93-L100 HydrophobicContact CD1-CG 4.15Å; Y93-L100 HydrophobicContact CE1-CD2 4.23Å; Y93-L100 HydrophobicContact CG-CD1 4.44Å; Y93-A101 WeakPolarHBondContact CA-O 3.32Å; Y93-A102 HydrophobicContact CD1-CB 3.74Å; Y93-A102 HydrophobicContact CE1-CB 3.59Å; Y93-L112 HydrophobicContact CE2-CD2 4.26Å; Y93-Y113 HydrophobicContact CE2-CE1 4.14Å; Y93-Y113 PolarHBondContact OH-OH 3.46Å; Y93-P131 VanDerWaalsContact CB-O 3.25Å; Y93-P131 WeakPolarHBondContact CB-O 3Å; Y93-H132 AromaticContact CD2-CD2 3.56Å; Y93-H132 AromaticContact CE2-CD2 3.57Å; Y93-H132 AromaticContact CE2-NE2 3.59Å; Y93-I133 HydrophobicContact CE1-CB 4.07Å; Y93-I133 HydrophobicContact CE2-CG2 4.39Å |
| 94 | T | 94.3 | Very high | 92 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136.8 | 177.7 | -49.1 | 0 | 0 | 0 | 0 | 109.9 | E66 M68 L83 R86 A101 | E66-T94 WeakPolarHBondContact O-CG2 3.31Å; M68-T94 HydrophobicContact CE-CG2 4.44Å; M68-T94 HydrophobicContact CG-CG2 3.71Å; M68-T94 HydrophobicContact SD-CG2 4.15Å; L83-T94 HydrophobicContact CD2-CG2 4.47Å; R86-T94 WeakPolarHBondContact CD-OG1 3.25Å; R86-T94 PolarHBondContact NE-OG1 3.11Å; T94-A101 PolarHBondContact N-O 3.32Å; T94-A101 PolarHBondContact O-N 3.24Å |
| 95 | Y | 91.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 155.3 | 178.2 | -68.1 | -48.4 | 0 | 0 | 0 | 113 | E66 D67 M68 I99 L100 L126 P131 H132 A135 V136 | E66-Y95 PolarHBondContact O-N 3.43Å; D67-Y95 WeakPolarHBondContact CA-O 3.42Å; M68-Y95 PolarHBondContact N-O 3.03Å; Y95-I99 CarbonylContact C-O 3.44Å; Y95-I99 WeakPolarHBondContact CA-O 3.33Å; Y95-L100 HydrophobicContact CD1-CD1 3.81Å; Y95-L100 HydrophobicContact CE1-CD1 3.77Å; Y95-L126 HydrophobicContact CD1-CD1 4.47Å; Y95-L126 HydrophobicContact CE1-CD1 3.61Å; Y95-L126 HydrophobicContact CE2-CD1 4.34Å; Y95-L126 WeakPolarHBondContact OH-CD1 3.26Å; Y95-P131 HydrophobicContact CD1-CB 4.22Å; Y95-P131 HydrophobicContact CD2-CB 3.7Å; Y95-P131 HydrophobicContact CD2-CG 3.56Å; Y95-P131 HydrophobicContact CE1-CB 4.09Å; Y95-P131 HydrophobicContact CE2-CB 3.57Å; Y95-P131 HydrophobicContact CE2-CG 3.71Å; Y95-P131 HydrophobicContact CG-CB 4.01Å; Y95-P131 HydrophobicContact CG-CG 4.15Å; Y95-P131 VanDerWaalsContact CZ-CA 3.43Å; Y95-P131 WeakPolarHBondContact OH-CA 3.42Å; Y95-H132 PolarHBondContact OH-N 3.15Å; Y95-A135 WeakPolarHBondContact OH-CB 3.37Å; Y95-V136 HydrophobicContact CE1-CG2 4.26Å |
| 96 | I | 89.5 | Confident | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 79.4 | 165.3 | -52.5 | 171.5 | 0 | 0 | 0 | 106 | D67 M68 S98 I99 M691 T694 V695 R698 | D67-I96 WeakPolarHBondContact OD1-CA 3.41Å; M68-I96 HydrophobicContact CB-CG1 4.33Å; M68-I96 HydrophobicContact CE-CD1 3.38Å; M68-I96 HydrophobicContact CE-CG1 3.36Å; I96-S98 PolarHBondContact O-N 3.4Å; I96-I99 HydrophobicContact CB-CB 4.22Å; I96-I99 PolarHBondContact N-O 2.97Å; I96-I99 PolarHBondContact O-N 3.39Å; I96-I99 VanDerWaalsContact O-N 3.07Å; I96-M691 HydrophobicContact CD1-CE 3.24Å; I96-M691 HydrophobicContact CD1-SD 3.77Å; I96-T694 HydrophobicContact CG2-CG2 4.09Å; I96-V695 HydrophobicContact CD1-CG2 4.19Å; I96-V695 HydrophobicContact CG1-CG2 4.23Å; I96-V695 HydrophobicContact CG2-CB 4.29Å; I96-V695 HydrophobicContact CG2-CG2 3.61Å; I96-R698 HydrophobicContact CG2-CB 4.35Å; I96-R698 HydrophobicContact CG2-CG 4.26Å |
| 97 | G | 82.6 | Confident | 91.9 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -119 | -161.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D67 E756 | D67-G97 PolarHBondContact OD1-N 3.42Å; G97-E756 WeakPolarHBondContact CA-OE2 3.42Å |
| 98 | S | 82.6 | Confident | 91.6 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.3 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 115.4 | I96 E756 | I96-S98 PolarHBondContact O-N 3.4Å; S98-E756 WeakPolarHBondContact CB-OE1 3.33Å; S98-E756 PolarHBondContact N-OE2 3.15Å; S98-E756 PolarHBondContact OG-OE1 2.95Å |
| 99 | I | 91.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.6 | 177.9 | -58.8 | 171.4 | 0 | 0 | 0 | 109.1 | Y95 I96 F466 I470 F662 R664 T694 | Y95-I99 CarbonylContact C-O 3.44Å; Y95-I99 WeakPolarHBondContact CA-O 3.33Å; I96-I99 HydrophobicContact CB-CB 4.22Å; I96-I99 PolarHBondContact N-O 2.97Å; I96-I99 PolarHBondContact O-N 3.39Å; I96-I99 VanDerWaalsContact O-N 3.07Å; I99-F466 HydrophobicContact CD1-CE2 4.26Å; I99-F466 HydrophobicContact CD1-CZ 4.41Å; I99-I470 HydrophobicContact CD1-CD1 3.83Å; I99-I470 HydrophobicContact CD1-CG1 4.48Å; I99-F662 HydrophobicContact CG1-CB 4.23Å; I99-F662 HydrophobicContact CG1-CD2 4.48Å; I99-F662 HydrophobicContact CG2-CB 4.15Å; I99-R664 HydrophobicContact CG2-CG 4.36Å; I99-T694 HydrophobicContact CD1-CG2 3.46Å; I99-T694 VanDerWaalsContact CD1-CG2 3.46Å |
| 100 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.3 | 178.9 | -177.1 | 69.8 | 0 | 0 | 0 | 111.4 | Y93 Y95 P131 I133 V136 F662 I663 R664 | Y93-L100 HydrophobicContact CD1-CD1 4.15Å; Y93-L100 HydrophobicContact CD1-CD2 3.88Å; Y93-L100 HydrophobicContact CD1-CG 4.15Å; Y93-L100 HydrophobicContact CE1-CD2 4.23Å; Y93-L100 HydrophobicContact CG-CD1 4.44Å; Y95-L100 HydrophobicContact CD1-CD1 3.81Å; Y95-L100 HydrophobicContact CE1-CD1 3.77Å; L100-P131 HydrophobicContact CD1-CB 4.47Å; L100-I133 HydrophobicContact CD2-CB 3.99Å; L100-I133 HydrophobicContact CD2-CG1 4.28Å; L100-V136 HydrophobicContact CB-CG2 3.94Å; L100-V136 HydrophobicContact CD2-CG2 3.97Å; L100-V136 HydrophobicContact CG-CG2 4.43Å; L100-F662 PolarHBondContact N-O 3.34Å; L100-F662 VanDerWaalsContact N-O 3.13Å; L100-I663 HydrophobicContact CB-CG1 4.33Å; L100-I663 HydrophobicContact CD2-CG2 4.41Å; L100-I663 CarbonylContact O-C 3.5Å; L100-I663 WeakPolarHBondContact O-CA 3.15Å; L100-R664 PolarHBondContact O-N 3.35Å |
| 101 | A | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M68 L83 Y93 T94 R664 M691 | M68-A101 HydrophobicContact CE-CB 4.45Å; L83-A101 HydrophobicContact CD2-CB 4.38Å; Y93-A101 WeakPolarHBondContact CA-O 3.32Å; T94-A101 PolarHBondContact N-O 3.32Å; T94-A101 PolarHBondContact O-N 3.24Å; A101-R664 CarbonylContact C-O 3.57Å; A101-R664 WeakPolarHBondContact CA-O 3.45Å; A101-M691 HydrophobicContact CB-CE 4.04Å |
| 102 | A | 96.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 113.2 | -179 | 0 | 0 | 0 | 0 | 0 | 110.5 | I92 Y93 R664 C665 I666 | I92-A102 WeakPolarHBondContact O-CA 3.45Å; Y93-A102 HydrophobicContact CD1-CB 3.74Å; Y93-A102 HydrophobicContact CE1-CB 3.59Å; A102-R664 PolarHBondContact N-O 3.09Å; A102-C665 CarbonylContact O-C 3.58Å; A102-C665 VanDerWaalsContact O-CA 3.3Å; A102-C665 WeakPolarHBondContact O-CA 3.35Å; A102-I666 PolarHBondContact O-N 3.29Å |
| 103 | V | 96.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.1 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | L83 Y87 I92 P105 I666 P668 F677 | L83-V103 HydrophobicContact CD2-CG2 4.35Å; Y87-V103 HydrophobicContact CD2-CB 4.02Å; Y87-V103 HydrophobicContact CD2-CG1 3.54Å; Y87-V103 HydrophobicContact CE2-CB 4.46Å; Y87-V103 HydrophobicContact CE2-CG1 3.73Å; Y87-V103 HydrophobicContact CG-CG1 4.37Å; I92-V103 WeakPolarHBondContact CB-O 3.18Å; I92-V103 WeakPolarHBondContact CG2-O 3.36Å; I92-V103 PolarHBondContact O-N 3.06Å; V103-P105 VanDerWaalsContact O-CD 3.32Å; V103-P105 WeakPolarHBondContact O-CD 3.06Å; V103-I666 HydrophobicContact CG2-CB 4.29Å; V103-P668 HydrophobicContact CG1-CB 3.98Å; V103-P668 HydrophobicContact CG1-CG 4.48Å; V103-F677 HydrophobicContact CG1-CE2 4.4Å |
| 104 | N | 94.4 | Very high | 90.3 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | trans | -64.8 | 120.5 | -176.9 | -172.9 | -7.7 | 0 | 0 | 0 | 111.6 | Y106 G160 I666 P668 | N104-Y106 WeakPolarHBondContact ND2-CE1 3.36Å; N104-Y106 PolarHBondContact OD1-N 3.1Å; N104-G160 PolarHBondContact ND2-O 2.69Å; N104-I666 PolarHBondContact N-O 3.44Å; N104-P668 VanDerWaalsContact O-CG 3.23Å; N104-P668 WeakPolarHBondContact O-CG 3.46Å | ||
| 105 | P | 93 | Very high | 89.9 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | trans | -75.7 | -18.1 | 178.5 | 28.2 | -33 | 0 | 0 | 0 | 114.6 | I92 V103 Q107 L109 | I92-P105 HydrophobicContact CD1-CG 4.25Å; I92-P105 HydrophobicContact CG2-CB 3.95Å; I92-P105 HydrophobicContact CG2-CG 4.21Å; V103-P105 VanDerWaalsContact O-CD 3.32Å; V103-P105 WeakPolarHBondContact O-CD 3.06Å; P105-Q107 HydrophobicContact CB-CG 4.25Å; P105-Q107 PolarHBondContact O-N 2.88Å; P105-L109 HydrophobicContact CB-CD1 4.16Å; P105-L109 HydrophobicContact CB-CG 4.35Å; P105-L109 HydrophobicContact CG-CD1 4.25Å; P105-L109 HydrophobicContact CG-CG 4.48Å | ||
| 106 | Y | 90.3 | Very high | 89.8 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 54.3 | 10 | -168.9 | -70.6 | -65 | 0 | 0 | 0 | 115.7 | N104 P668 K672 M673 | N104-Y106 WeakPolarHBondContact ND2-CE1 3.36Å; N104-Y106 PolarHBondContact OD1-N 3.1Å; Y106-P668 HydrophobicContact CD2-CG 3.86Å; Y106-P668 HydrophobicContact CE2-CG 3.67Å; Y106-K672 HydrophobicContact CD1-CB 4.4Å; Y106-K672 HydrophobicContact CE1-CB 4.12Å; Y106-K672 HydrophobicContact CE1-CG 4.44Å; Y106-M673 WeakPolarHBondContact CD2-O 3.4Å |
| 107 | Q | 89.3 | Confident | 89.8 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -142.6 | 150.7 | 176.7 | 61.7 | -177.8 | -26.5 | 0 | 0 | 111 | P105 L109 P674 D675 | P105-Q107 HydrophobicContact CB-CG 4.25Å; P105-Q107 PolarHBondContact O-N 2.88Å; Q107-L109 HydrophobicContact CG-CD2 4.36Å; Q107-L109 PolarHBondContact O-N 2.78Å; Q107-P674 HydrophobicContact CB-CB 4Å; Q107-P674 HydrophobicContact CG-CB 4.09Å; Q107-D675 PolarHBondContact NE2-OD1 3.15Å; Q107-D675 PolarHBondContact NE2-OD2 2.71Å |
| 108 | P | 87.5 | Confident | 90.1 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 80% | 0.799 | 26% | 0.264 | S | S | * | . | trans | -67.5 | 129.5 | 172.4 | 28.4 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 109 | L | 88.7 | Confident | 90.4 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | trans | -99.4 | 108.6 | 175 | -65.8 | 178.3 | 0 | 0 | 0 | 109 | R90 I92 P105 Q107 L112 | R90-L109 HydrophobicContact CB-CD2 4.28Å; I92-L109 HydrophobicContact CD1-CD1 4.24Å; I92-L109 HydrophobicContact CG1-CD1 4.43Å; I92-L109 HydrophobicContact CG2-CD1 3.92Å; P105-L109 HydrophobicContact CB-CD1 4.16Å; P105-L109 HydrophobicContact CB-CG 4.35Å; P105-L109 HydrophobicContact CG-CD1 4.25Å; P105-L109 HydrophobicContact CG-CG 4.48Å; Q107-L109 HydrophobicContact CG-CD2 4.36Å; Q107-L109 PolarHBondContact O-N 2.78Å; L109-L112 HydrophobicContact CB-CB 4.05Å; L109-L112 HydrophobicContact CB-CD2 4.02Å; L109-L112 HydrophobicContact CD1-CD2 3.69Å; L109-L112 HydrophobicContact CG-CD2 4.49Å; L109-L112 PolarHBondContact O-N 3.19Å | ||
| 110 | P | 86.5 | Confident | 90.4 | Very high | 119 Ų | 119 | 55.1 Ų | 55.1 | 77% | 0.773 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 141.6 | -177.6 | 26.6 | -33.6 | 0 | 0 | 0 | 110.8 | L112 | P110-L112 PolarHBondContact O-N 2.71Š|
| 111 | G | 84.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -22.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D114 T117 | G111-D114 WeakPolarHBondContact CA-OD2 3.35Å; G111-D114 PolarHBondContact N-OD2 3.12Å; G111-D114 VanDerWaalsContact N-OD2 3.14Å; G111-T117 PolarHBondContact O-OG1 3.36Å |
| 112 | L | 89.3 | Confident | 89.8 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -36.5 | -170.4 | -169 | 62.8 | 0 | 0 | 0 | 113 | I92 Y93 L109 P110 T117 H132 | I92-L112 HydrophobicContact CD1-CD2 3.91Å; I92-L112 HydrophobicContact CG1-CD2 4.2Å; Y93-L112 HydrophobicContact CE2-CD2 4.26Å; L109-L112 HydrophobicContact CB-CB 4.05Å; L109-L112 HydrophobicContact CB-CD2 4.02Å; L109-L112 HydrophobicContact CD1-CD2 3.69Å; L109-L112 HydrophobicContact CG-CD2 4.49Å; L109-L112 PolarHBondContact O-N 3.19Å; P110-L112 PolarHBondContact O-N 2.71Å; L112-T117 WeakPolarHBondContact O-CG2 3.41Å; L112-H132 WeakPolarHBondContact CD1-NE2 3.4Å; L112-H132 PolarHBondContact O-NE2 2.97Å |
| 113 | Y | 90.2 | Very high | 89.2 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -114.9 | 12.6 | -174.6 | -53.5 | -54.4 | 0 | 0 | 0 | 113.9 | I92 Y93 H132 F134 L169 | I92-Y113 VanDerWaalsContact CD1-OH 3.29Å; I92-Y113 WeakPolarHBondContact CD1-OH 3.4Å; Y93-Y113 HydrophobicContact CE2-CE1 4.14Å; Y93-Y113 PolarHBondContact OH-OH 3.46Å; Y113-H132 AromaticContact CD1-CE1 3.99Å; Y113-H132 AromaticContact CD1-NE2 3.96Å; Y113-H132 AromaticContact CE1-NE2 3.75Å; Y113-F134 HydrophobicContact CD1-CE2 4.47Å; Y113-F134 HydrophobicContact CD1-CZ 4.1Å; Y113-L169 HydrophobicContact CD1-CD1 3.82Å; Y113-L169 HydrophobicContact CD1-CD2 3.53Å; Y113-L169 HydrophobicContact CD1-CG 4.3Å; Y113-L169 HydrophobicContact CD2-CD2 4.26Å; Y113-L169 HydrophobicContact CE1-CD1 3.39Å; Y113-L169 HydrophobicContact CE1-CD2 4.05Å; Y113-L169 HydrophobicContact CE1-CG 4.35Å; Y113-L169 HydrophobicContact CE2-CD1 4.28Å; Y113-L169 HydrophobicContact CG-CD1 4.41Å; Y113-L169 HydrophobicContact CG-CD2 3.64Å |
| 114 | D | 88.4 | Confident | 88.5 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -75.9 | 160.5 | -176.1 | -62.1 | -23.3 | 0 | 0 | 0 | 111.9 | G111 P116 T117 I118 | G111-D114 WeakPolarHBondContact CA-OD2 3.35Å; G111-D114 PolarHBondContact N-OD2 3.12Å; G111-D114 VanDerWaalsContact N-OD2 3.14Å; D114-P116 VanDerWaalsContact C-CD 3.48Å; D114-P116 HydrophobicContact CB-CG 4.07Å; D114-T117 WeakPolarHBondContact O-CB 3.42Å; D114-T117 PolarHBondContact O-N 2.97Å; D114-I118 PolarHBondContact O-N 3.05Å |
| 115 | R | 85.9 | Confident | 87.7 | Confident | 209 Ų | 209 | 67.3 Ų | 67.3 | 79% | 0.789 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -49.3 | -45.8 | 176.3 | -66.2 | -172.7 | -179.8 | -171.6 | 0.1 | 115.1 | T117 I118 E119 | R115-T117 PolarHBondContact O-N 2.81Å; R115-I118 WeakPolarHBondContact O-CB 3.38Å; R115-I118 PolarHBondContact O-N 3.02Å; R115-I118 VanDerWaalsContact O-N 3.14Å; R115-E119 PolarHBondContact O-N 2.9Å |
| 116 | P | 89.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.6 | -33.4 | 177.4 | 22.5 | -35.5 | 0 | 0 | 0 | 112.8 | D114 E119 L120 | D114-P116 VanDerWaalsContact C-CD 3.48Å; D114-P116 HydrophobicContact CB-CG 4.07Å; P116-E119 PolarHBondContact O-N 2.96Å; P116-L120 WeakPolarHBondContact O-CB 3.4Å; P116-L120 PolarHBondContact O-N 2.94Å |
| 117 | T | 89.5 | Confident | 86.2 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | G111 L112 D114 R115 E119 L120 Y121 F134 | G111-T117 PolarHBondContact O-OG1 3.36Å; L112-T117 WeakPolarHBondContact O-CG2 3.41Å; D114-T117 WeakPolarHBondContact O-CB 3.42Å; D114-T117 PolarHBondContact O-N 2.97Å; R115-T117 PolarHBondContact O-N 2.81Å; T117-E119 VanDerWaalsContact C-N 3.34Å; T117-E119 PolarHBondContact O-N 3.17Å; T117-L120 WeakPolarHBondContact O-CB 3.46Å; T117-L120 PolarHBondContact O-N 3.47Å; T117-Y121 HydrophobicContact CG2-CD2 3.64Å; T117-Y121 HydrophobicContact CG2-CE2 3.62Å; T117-Y121 VanDerWaalsContact O-CD2 3.29Å; T117-Y121 WeakPolarHBondContact O-CD2 3.26Å; T117-Y121 PolarHBondContact O-N 2.76Å; T117-F134 HydrophobicContact CG2-CD2 4.3Å; T117-F134 HydrophobicContact CG2-CE2 4.38Å |
| 118 | I | 89.8 | Confident | 85.5 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 172 | -65.8 | 171.6 | 0 | 0 | 0 | 110.6 | D114 R115 L120 Y121 S122 F134 F173 A176 M177 | D114-I118 PolarHBondContact O-N 3.05Å; R115-I118 WeakPolarHBondContact O-CB 3.38Å; R115-I118 PolarHBondContact O-N 3.02Å; R115-I118 VanDerWaalsContact O-N 3.14Å; I118-L120 PolarHBondContact O-N 3.19Å; I118-Y121 PolarHBondContact O-N 3.46Å; I118-S122 WeakPolarHBondContact O-CB 3.37Å; I118-S122 PolarHBondContact O-N 3.43Å; I118-F134 HydrophobicContact CD1-CZ 4.43Å; I118-F134 HydrophobicContact CG1-CD2 4.16Å; I118-F134 HydrophobicContact CG1-CE2 3.64Å; I118-F134 HydrophobicContact CG1-CZ 3.87Å; I118-F173 HydrophobicContact CB-CD2 4.37Å; I118-F173 HydrophobicContact CG1-CD2 4.35Å; I118-F173 HydrophobicContact CG2-CD2 3.8Å; I118-F173 HydrophobicContact CG2-CE2 4.03Å; I118-A176 HydrophobicContact CG2-CB 3.82Å; I118-M177 HydrophobicContact CG2-CE 4.21Å |
| 119 | E | 88.3 | Confident | 85.3 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 177.6 | -71.7 | -176.1 | -157.3 | 0 | 0 | 112.6 | R115 P116 T117 S122 | R115-E119 PolarHBondContact O-N 2.9Å; P116-E119 PolarHBondContact O-N 2.96Å; T117-E119 VanDerWaalsContact C-N 3.34Å; T117-E119 PolarHBondContact O-N 3.17Å; E119-S122 PolarHBondContact O-N 2.98Å; E119-S122 PolarHBondContact O-OG 3.38Å |
| 120 | L | 90.8 | Very high | 85.3 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -53.4 | 176.3 | -178.9 | 67 | 0 | 0 | 0 | 110.8 | P116 T117 I118 S122 R123 H124 I129 | P116-L120 WeakPolarHBondContact O-CB 3.4Å; P116-L120 PolarHBondContact O-N 2.94Å; T117-L120 WeakPolarHBondContact O-CB 3.46Å; T117-L120 PolarHBondContact O-N 3.47Å; I118-L120 PolarHBondContact O-N 3.19Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S122 PolarHBondContact O-N 3.1Å; L120-R123 PolarHBondContact O-N 3.47Å; L120-H124 PolarHBondContact O-ND1 3.37Å; L120-I129 HydrophobicContact CD1-CD1 3.94Å; L120-I129 HydrophobicContact CD2-CD1 4.15Å; L120-I129 HydrophobicContact CG-CD1 3.73Å |
| 121 | Y | 90.8 | Very high | 85.5 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.6 | -25.2 | -178.4 | -80.5 | -81.3 | 0 | 0 | 0 | 113.2 | T117 I118 R123 I129 S130 H132 F134 A135 N138 | T117-Y121 HydrophobicContact CG2-CD2 3.64Å; T117-Y121 HydrophobicContact CG2-CE2 3.62Å; T117-Y121 VanDerWaalsContact O-CD2 3.29Å; T117-Y121 WeakPolarHBondContact O-CD2 3.26Å; T117-Y121 PolarHBondContact O-N 2.76Å; I118-Y121 PolarHBondContact O-N 3.46Å; Y121-R123 VanDerWaalsContact C-N 3.26Å; Y121-R123 PolarHBondContact O-N 3.08Å; Y121-I129 HydrophobicContact CE1-CB 4.05Å; Y121-I129 HydrophobicContact CE1-CG2 3.77Å; Y121-I129 HydrophobicContact CE2-CG2 4.45Å; Y121-I129 WeakPolarHBondContact OH-CG2 3.07Å; Y121-S130 WeakPolarHBondContact CE1-O 3.38Å; Y121-S130 PolarHBondContact OH-O 3.07Å; Y121-S130 PolarHBondContact OH-OG 3.47Å; Y121-H132 HydrophobicContact CD1-CB 4.18Å; Y121-H132 HydrophobicContact CE1-CB 3.46Å; Y121-H132 VanDerWaalsContact CE1-CB 3.46Å; Y121-H132 HydrophobicContact CE2-CB 3.9Å; Y121-H132 AromaticContact CE2-CG 3.9Å; Y121-H132 AromaticContact CZ-CG 3.82Å; Y121-H132 WeakPolarHBondContact OH-CB 3.49Å; Y121-F134 HydrophobicContact CD2-CB 4.29Å; Y121-F134 HydrophobicContact CD2-CD2 4.27Å; Y121-F134 HydrophobicContact CG-CB 3.93Å; Y121-A135 HydrophobicContact CD1-CB 3.81Å; Y121-A135 HydrophobicContact CE1-CB 4.04Å; Y121-N138 PolarHBondContact O-ND2 2.87Å |
| 122 | S | 88.3 | Confident | 86 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -36 | 175.2 | 77.8 | 0 | 0 | 0 | 0 | 113.3 | I118 E119 L120 N138 R142 M177 | I118-S122 WeakPolarHBondContact O-CB 3.37Å; I118-S122 PolarHBondContact O-N 3.43Å; E119-S122 PolarHBondContact O-N 2.98Å; E119-S122 PolarHBondContact O-OG 3.38Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S122 PolarHBondContact O-N 3.1Å; S122-N138 PolarHBondContact O-ND2 2.96Å; S122-N138 VanDerWaalsContact O-ND2 3.12Å; S122-R142 PolarHBondContact O-NH2 3.18Å; S122-M177 WeakPolarHBondContact CB-SD 3.27Å |
| 123 | R | 83.4 | Confident | 86.3 | Confident | 174 Ų | 174 | 55 Ų | 55 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -86.5 | -30.1 | -173.3 | -63.3 | 179.5 | -172.6 | 170.4 | 7.2 | 112.3 | L120 Y121 R142 | L120-R123 PolarHBondContact O-N 3.47Å; Y121-R123 VanDerWaalsContact C-N 3.26Å; Y121-R123 PolarHBondContact O-N 3.08Å; R123-R142 PolarHBondContact O-NH2 2.86Å |
| 124 | H | 81.4 | Confident | 86.5 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -90.8 | 164.2 | -173.2 | -65.4 | 84.2 | 0 | 0 | 0 | 113.2 | L120 E128 I129 N138 R142 | L120-H124 PolarHBondContact O-ND1 3.37Å; H124-E128 WeakPolarHBondContact CA-OE2 3.38Å; H124-E128 HydrophobicContact CB-CB 4.42Å; H124-E128 IonicContact CD2-OE2 3.7Å; H124-I129 HydrophobicContact CB-CD1 3.62Å; H124-I129 HydrophobicContact CB-CG1 3.94Å; H124-I129 VanDerWaalsContact ND1-CD1 3.32Å; H124-I129 WeakPolarHBondContact ND1-CD1 3.44Å; H124-N138 PolarHBondContact O-ND2 2.82Å; H124-R142 PolarHBondContact O-NH1 3.41Å; H124-R142 PolarHBondContact O-NH2 3.11Å |
| 125 | H | 77.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -95.9 | 164.9 | 171 | -77.7 | -91.6 | 0 | 0 | 0 | 112 | G127 E128 R142 E763 K767 | H125-G127 PolarHBondContact O-N 3.14Å; H125-E128 HydrophobicContact CB-CG 4.08Å; H125-E128 PolarHBondContact N-OE2 3.27Å; H125-E128 PolarHBondContact O-N 3.26Å; H125-R142 PolarHBondContact CD2-NH1 2.63Å; H125-R142 PolarHBondContact CE1-NH1 3.18Å; H125-R142 VanDerWaalsContact CG-NH1 3.35Å; H125-R142 PolarHBondContact ND1-NH1 3.4Å; H125-R142 PolarHBondContact NE2-NH1 2.78Å; H125-E763 IonicContact CE1-OE2 3.62Å; H125-E763 IonicContact ND1-OE2 3.89Å; H125-K767 PolarHBondContact CD2-NZ 3.47Å; H125-K767 WeakPolarHBondContact NE2-CD 3.48Å; H125-K767 WeakPolarHBondContact NE2-CE 3.47Å; H125-K767 PolarHBondContact NE2-NZ 3.31Å |
| 126 | L | 79.1 | Confident | 87 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131.7 | 167.8 | -165.2 | 71.5 | 0 | 0 | 0 | 109.7 | Y95 E128 A135 V136 D139 Q760 | Y95-L126 HydrophobicContact CD1-CD1 4.47Å; Y95-L126 HydrophobicContact CE1-CD1 3.61Å; Y95-L126 HydrophobicContact CE2-CD1 4.34Å; Y95-L126 WeakPolarHBondContact OH-CD1 3.26Å; L126-E128 VanDerWaalsContact C-N 3.33Å; L126-E128 PolarHBondContact O-N 3.27Å; L126-A135 HydrophobicContact CD1-CB 3.94Å; L126-V136 HydrophobicContact CD1-CG2 4.41Å; L126-D139 HydrophobicContact CB-CB 4.47Å; L126-Q760 PolarHBondContact O-NE2 3.47Å; L126-Q760 PolarHBondContact O-OE1 3.47Å |
| 127 | G | 72.4 | Confident | 87.2 | Confident | 41 Ų | 41 | 34 Ų | 34 | 42% | 0.423 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -3.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | H125 | H125-G127 PolarHBondContact O-N 3.14Š|
| 128 | E | 74.3 | Confident | 87.3 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 29% | 0.29 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -29.4 | 173.1 | -68.7 | -172.6 | 143.8 | 0 | 0 | 113.3 | H124 H125 L126 K764 | H124-E128 WeakPolarHBondContact CA-OE2 3.38Å; H124-E128 HydrophobicContact CB-CB 4.42Å; H124-E128 IonicContact CD2-OE2 3.7Å; H125-E128 HydrophobicContact CB-CG 4.08Å; H125-E128 PolarHBondContact N-OE2 3.27Å; H125-E128 PolarHBondContact O-N 3.26Å; L126-E128 VanDerWaalsContact C-N 3.33Å; L126-E128 PolarHBondContact O-N 3.27Å; E128-K764 HydrophobicContact CG-CD 4.36Å; E128-K764 VanDerWaalsContact OE1-CD 3.24Å; E128-K764 WeakPolarHBondContact OE1-CD 3.22Å; E128-K764 WeakPolarHBondContact OE1-CE 3.37Å; E128-K764 WeakPolarHBondContact OE1-CG 3.39Å; E128-K764 IonicContact OE1-NZ 2.69Å |
| 129 | I | 84.1 | Confident | 87.3 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 16% | 0.159 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -123.8 | 159 | 179.4 | -60.6 | -173.5 | 0 | 0 | 0 | 107.6 | L120 Y121 H124 | L120-I129 HydrophobicContact CD1-CD1 3.94Å; L120-I129 HydrophobicContact CD2-CD1 4.15Å; L120-I129 HydrophobicContact CG-CD1 3.73Å; Y121-I129 HydrophobicContact CE1-CB 4.05Å; Y121-I129 HydrophobicContact CE1-CG2 3.77Å; Y121-I129 HydrophobicContact CE2-CG2 4.45Å; Y121-I129 WeakPolarHBondContact OH-CG2 3.07Å; H124-I129 HydrophobicContact CB-CD1 3.62Å; H124-I129 HydrophobicContact CB-CG1 3.94Å; H124-I129 VanDerWaalsContact ND1-CD1 3.32Å; H124-I129 WeakPolarHBondContact ND1-CD1 3.44Å |
| 130 | S | 86.9 | Confident | 87.5 | Confident | 48 Ų | 48 | 28.9 Ų | 28.9 | 34% | 0.336 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -43.4 | 146.5 | 173.6 | 58 | 0 | 0 | 0 | 0 | 113.1 | Y121 H132 | Y121-S130 WeakPolarHBondContact CE1-O 3.38Å; Y121-S130 PolarHBondContact OH-O 3.07Å; Y121-S130 PolarHBondContact OH-OG 3.47Å; S130-H132 PolarHBondContact O-N 3.47Å |
| 131 | P | 92.1 | Very high | 87.5 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | trans | -55.9 | 132.5 | -175.7 | -22.4 | 28.4 | 0 | 0 | 0 | 113.7 | E66 Y93 Y95 L100 | E66-P131 HydrophobicContact CB-CG 3.71Å; E66-P131 HydrophobicContact CG-CG 4.2Å; E66-P131 WeakPolarHBondContact O-CG 3.31Å; Y93-P131 VanDerWaalsContact CB-O 3.25Å; Y93-P131 WeakPolarHBondContact CB-O 3Å; Y95-P131 HydrophobicContact CD1-CB 4.22Å; Y95-P131 HydrophobicContact CD2-CB 3.7Å; Y95-P131 HydrophobicContact CD2-CG 3.56Å; Y95-P131 HydrophobicContact CE1-CB 4.09Å; Y95-P131 HydrophobicContact CE2-CB 3.57Å; Y95-P131 HydrophobicContact CE2-CG 3.71Å; Y95-P131 HydrophobicContact CG-CB 4.01Å; Y95-P131 HydrophobicContact CG-CG 4.15Å; Y95-P131 VanDerWaalsContact CZ-CA 3.43Å; Y95-P131 WeakPolarHBondContact OH-CA 3.42Å; L100-P131 HydrophobicContact CD1-CB 4.47Å | ||
| 132 | H | 94.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -157.1 | 152.6 | 178.8 | -158.3 | -97.2 | 0 | 0 | 0 | 112.4 | Y93 Y95 L112 Y113 Y121 S130 F134 A135 | Y93-H132 AromaticContact CD2-CD2 3.56Å; Y93-H132 AromaticContact CE2-CD2 3.57Å; Y93-H132 AromaticContact CE2-NE2 3.59Å; Y95-H132 PolarHBondContact OH-N 3.15Å; L112-H132 WeakPolarHBondContact CD1-NE2 3.4Å; L112-H132 PolarHBondContact O-NE2 2.97Å; Y113-H132 AromaticContact CD1-CE1 3.99Å; Y113-H132 AromaticContact CD1-NE2 3.96Å; Y113-H132 AromaticContact CE1-NE2 3.75Å; Y121-H132 HydrophobicContact CD1-CB 4.18Å; Y121-H132 HydrophobicContact CE1-CB 3.46Å; Y121-H132 VanDerWaalsContact CE1-CB 3.46Å; Y121-H132 HydrophobicContact CE2-CB 3.9Å; Y121-H132 AromaticContact CE2-CG 3.9Å; Y121-H132 AromaticContact CZ-CG 3.82Å; Y121-H132 WeakPolarHBondContact OH-CB 3.49Å; S130-H132 PolarHBondContact O-N 3.47Å; H132-F134 VanDerWaalsContact C-N 3.27Å; H132-F134 AromaticContact CE1-CD2 3.2Å; H132-F134 WeakPolarHBondContact CE1-CD2 3.44Å; H132-F134 AromaticContact CE1-CE2 3.45Å; H132-F134 VanDerWaalsContact CE1-CE2 3.45Å; H132-F134 WeakPolarHBondContact CE1-CE2 3.4Å; H132-F134 AromaticContact CE1-CG 3.53Å; H132-F134 AromaticContact CE1-CZ 3.98Å; H132-F134 WeakPolarHBondContact ND1-CB 3.41Å; H132-F134 AromaticContact ND1-CD2 3.28Å; H132-F134 VanDerWaalsContact ND1-CD2 3.28Å; H132-F134 WeakPolarHBondContact ND1-CD2 3.42Å; H132-F134 AromaticContact ND1-CG 3.29Å; H132-F134 VanDerWaalsContact ND1-CG 3.29Å; H132-F134 WeakPolarHBondContact ND1-CG 3.49Å; H132-F134 PolarHBondContact ND1-N 3.18Å; H132-F134 VanDerWaalsContact ND1-N 3.14Å; H132-F134 PolarHBondContact O-N 3.05Å; H132-A135 WeakPolarHBondContact O-CB 3.39Å; H132-A135 PolarHBondContact O-N 3.02Å; H132-A135 VanDerWaalsContact O-N 3.13Å | ||
| 133 | I | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -35.1 | 176.4 | -166.5 | 166.7 | 0 | 0 | 0 | 112.7 | Y93 L100 A135 V136 A137 S166 L169 I170 I663 | Y93-I133 HydrophobicContact CE1-CB 4.07Å; Y93-I133 HydrophobicContact CE2-CG2 4.39Å; L100-I133 HydrophobicContact CD2-CB 3.99Å; L100-I133 HydrophobicContact CD2-CG1 4.28Å; I133-A135 VanDerWaalsContact C-N 3.28Å; I133-A135 PolarHBondContact O-N 2.98Å; I133-V136 PolarHBondContact O-N 2.75Å; I133-A137 PolarHBondContact O-N 3.28Å; I133-S166 WeakPolarHBondContact CD1-O 3.38Å; I133-L169 HydrophobicContact CD1-CB 4.47Å; I133-L169 HydrophobicContact CG2-CB 4.25Å; I133-L169 HydrophobicContact CG2-CD1 4.31Å; I133-I170 HydrophobicContact CD1-CD1 3.94Å; I133-I170 HydrophobicContact CD1-CG1 3.79Å; I133-I170 HydrophobicContact CG1-CD1 4.15Å; I133-I170 HydrophobicContact CG1-CG1 3.77Å; I133-I663 HydrophobicContact CD1-CD1 4.13Å; I133-I663 HydrophobicContact CG1-CD1 4.03Å |
| 134 | F | 94.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.2 | -30.6 | 175.9 | -62.3 | -23.6 | 0 | 0 | 0 | 113.1 | Y113 T117 I118 Y121 H132 A137 N138 L169 F173 | Y113-F134 HydrophobicContact CD1-CE2 4.47Å; Y113-F134 HydrophobicContact CD1-CZ 4.1Å; T117-F134 HydrophobicContact CG2-CD2 4.3Å; T117-F134 HydrophobicContact CG2-CE2 4.38Å; I118-F134 HydrophobicContact CD1-CZ 4.43Å; I118-F134 HydrophobicContact CG1-CD2 4.16Å; I118-F134 HydrophobicContact CG1-CE2 3.64Å; I118-F134 HydrophobicContact CG1-CZ 3.87Å; Y121-F134 HydrophobicContact CD2-CB 4.29Å; Y121-F134 HydrophobicContact CD2-CD2 4.27Å; Y121-F134 HydrophobicContact CG-CB 3.93Å; H132-F134 VanDerWaalsContact C-N 3.27Å; H132-F134 AromaticContact CE1-CD2 3.2Å; H132-F134 WeakPolarHBondContact CE1-CD2 3.44Å; H132-F134 AromaticContact CE1-CE2 3.45Å; H132-F134 VanDerWaalsContact CE1-CE2 3.45Å; H132-F134 WeakPolarHBondContact CE1-CE2 3.4Å; H132-F134 AromaticContact CE1-CG 3.53Å; H132-F134 AromaticContact CE1-CZ 3.98Å; H132-F134 WeakPolarHBondContact ND1-CB 3.41Å; H132-F134 AromaticContact ND1-CD2 3.28Å; H132-F134 VanDerWaalsContact ND1-CD2 3.28Å; H132-F134 WeakPolarHBondContact ND1-CD2 3.42Å; H132-F134 AromaticContact ND1-CG 3.29Å; H132-F134 VanDerWaalsContact ND1-CG 3.29Å; H132-F134 WeakPolarHBondContact ND1-CG 3.49Å; H132-F134 PolarHBondContact ND1-N 3.18Å; H132-F134 VanDerWaalsContact ND1-N 3.14Å; H132-F134 PolarHBondContact O-N 3.05Å; F134-A137 PolarHBondContact O-N 3.43Å; F134-N138 VanDerWaalsContact O-CB 3.32Å; F134-N138 WeakPolarHBondContact O-CB 3.35Å; F134-N138 PolarHBondContact O-N 3.25Å; F134-L169 HydrophobicContact CE1-CB 4.13Å; F134-L169 HydrophobicContact CE1-CD2 4.39Å; F134-L169 HydrophobicContact CZ-CD2 4.32Å; F134-F173 HydrophobicContact CB-CD2 3.57Å; F134-F173 HydrophobicContact CB-CE2 3.7Å; F134-F173 HydrophobicContact CB-CG 4.21Å; F134-F173 HydrophobicContact CB-CZ 4.43Å; F134-F173 HydrophobicContact CD1-CB 3.65Å; F134-F173 AromaticContact CD1-CD2 3.62Å; F134-F173 HydrophobicContact CD1-CD2 3.62Å; F134-F173 AromaticContact CD1-CG 3.84Å; F134-F173 HydrophobicContact CD1-CG 3.84Å; F134-F173 HydrophobicContact CD2-CD2 4.19Å; F134-F173 HydrophobicContact CE1-CB 3.97Å; F134-F173 HydrophobicContact CE1-CD2 4.36Å; F134-F173 HydrophobicContact CG-CB 4.44Å; F134-F173 AromaticContact CG-CD2 3.53Å; F134-F173 HydrophobicContact CG-CD2 3.53Å; F134-F173 HydrophobicContact CG-CE2 4.12Å; F134-F173 HydrophobicContact CG-CG 4.18Å |
| 135 | A | 91.8 | Very high | 87.9 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y95 Y121 L126 H132 I133 N138 D139 | Y95-A135 WeakPolarHBondContact OH-CB 3.37Å; Y121-A135 HydrophobicContact CD1-CB 3.81Å; Y121-A135 HydrophobicContact CE1-CB 4.04Å; L126-A135 HydrophobicContact CD1-CB 3.94Å; H132-A135 WeakPolarHBondContact O-CB 3.39Å; H132-A135 PolarHBondContact O-N 3.02Å; H132-A135 VanDerWaalsContact O-N 3.13Å; I133-A135 VanDerWaalsContact C-N 3.28Å; I133-A135 PolarHBondContact O-N 2.98Å; A135-N138 PolarHBondContact O-N 2.91Å; A135-D139 PolarHBondContact O-N 2.74Å |
| 136 | V | 92.7 | Very high | 88 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | Y95 L100 L126 I133 N138 D139 C140 Y661 | Y95-V136 HydrophobicContact CE1-CG2 4.26Å; L100-V136 HydrophobicContact CB-CG2 3.94Å; L100-V136 HydrophobicContact CD2-CG2 3.97Å; L100-V136 HydrophobicContact CG-CG2 4.43Å; L126-V136 HydrophobicContact CD1-CG2 4.41Å; I133-V136 PolarHBondContact O-N 2.75Å; V136-N138 VanDerWaalsContact C-N 3.32Å; V136-N138 PolarHBondContact O-N 2.77Å; V136-D139 PolarHBondContact O-N 3.34Å; V136-C140 VanDerWaalsContact O-CB 3.29Å; V136-C140 WeakPolarHBondContact O-CB 3.37Å; V136-C140 PolarHBondContact O-N 2.79Å; V136-Y661 HydrophobicContact CG1-CD1 4.12Å; V136-Y661 HydrophobicContact CG1-CG 4.45Å |
| 137 | A | 94.2 | Very high | 88 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I133 F134 Y141 I170 F173 | I133-A137 PolarHBondContact O-N 3.28Å; F134-A137 PolarHBondContact O-N 3.43Å; A137-Y141 WeakPolarHBondContact O-CB 3.24Å; A137-Y141 PolarHBondContact O-N 3.25Å; A137-I170 HydrophobicContact CB-CG1 4.47Å; A137-I170 HydrophobicContact CB-CG2 4.15Å; A137-F173 HydrophobicContact CB-CB 4.45Å; A137-F173 HydrophobicContact CB-CD1 3.49Å; A137-F173 VanDerWaalsContact CB-CD1 3.49Å; A137-F173 HydrophobicContact CB-CE1 4.05Å; A137-F173 HydrophobicContact CB-CG 4.15Å |
| 138 | N | 91.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.7 | -41.9 | 176.2 | -167 | 23 | 0 | 0 | 0 | 112.6 | Y121 S122 H124 F134 A135 V136 C140 Y141 R142 F173 | Y121-N138 PolarHBondContact O-ND2 2.87Å; S122-N138 PolarHBondContact O-ND2 2.96Å; S122-N138 VanDerWaalsContact O-ND2 3.12Å; H124-N138 PolarHBondContact O-ND2 2.82Å; F134-N138 VanDerWaalsContact O-CB 3.32Å; F134-N138 WeakPolarHBondContact O-CB 3.35Å; F134-N138 PolarHBondContact O-N 3.25Å; A135-N138 PolarHBondContact O-N 2.91Å; V136-N138 VanDerWaalsContact C-N 3.32Å; V136-N138 PolarHBondContact O-N 2.77Å; N138-C140 VanDerWaalsContact C-N 3.33Å; N138-Y141 PolarHBondContact O-N 3.28Å; N138-R142 VanDerWaalsContact ND2-CZ 3.27Å; N138-R142 PolarHBondContact ND2-NH2 2.82Å; N138-R142 WeakPolarHBondContact O-CB 3.48Å; N138-R142 WeakPolarHBondContact O-CG 2.92Å; N138-R142 PolarHBondContact O-N 3.26Å; N138-R142 PolarHBondContact OD1-NE 3.4Å; N138-F173 HydrophobicContact CB-CE1 3.74Å; N138-F173 HydrophobicContact CB-CZ 3.74Å |
| 139 | D | 89.3 | Confident | 89.3 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 176.9 | -162.9 | 65.5 | 0 | 0 | 0 | 111.6 | L126 A135 V136 S143 R146 Y661 | L126-D139 HydrophobicContact CB-CB 4.47Å; A135-D139 PolarHBondContact O-N 2.74Å; V136-D139 PolarHBondContact O-N 3.34Å; D139-S143 WeakPolarHBondContact O-CB 3.44Å; D139-S143 PolarHBondContact O-N 3.22Å; D139-S143 PolarHBondContact O-OG 3.22Å; D139-R146 IonicContact OD1-CZ 3.91Å; D139-R146 IonicContact OD1-NH1 3.12Å; D139-R146 IonicContact OD1-NH2 2.87Å; D139-R146 PolarHBondContact OD1-NH2 3.44Å; D139-R146 IonicContact OD2-NH2 2.73Å; D139-R146 PolarHBondContact OD2-NH2 3.11Å; D139-Y661 PolarHBondContact OD2-OH 3.07Å |
| 140 | C | 91.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | V136 N138 S143 Q151 V153 Y661 | V136-C140 VanDerWaalsContact O-CB 3.29Å; V136-C140 WeakPolarHBondContact O-CB 3.37Å; V136-C140 PolarHBondContact O-N 2.79Å; N138-C140 VanDerWaalsContact C-N 3.33Å; C140-S143 WeakPolarHBondContact O-CB 3.43Å; C140-S143 PolarHBondContact O-N 3.37Å; C140-Q151 WeakPolarHBondContact SG-CB 3.4Å; C140-V153 HydrophobicContact CB-CG2 4.43Å; C140-Y661 HydrophobicContact CB-CD2 3.99Å; C140-Y661 HydrophobicContact CB-CE2 3.86Å; C140-Y661 HydrophobicContact CB-CG 4.46Å |
| 141 | Y | 91.8 | Very high | 90 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 8% | 0.078 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -50.2 | 177.2 | 177.9 | -105.8 | 0 | 0 | 0 | 112.8 | A137 N138 S143 L144 W145 L174 M177 F229 G233 I434 | A137-Y141 WeakPolarHBondContact O-CB 3.24Å; A137-Y141 PolarHBondContact O-N 3.25Å; N138-Y141 PolarHBondContact O-N 3.28Å; Y141-S143 PolarHBondContact O-N 3.11Å; Y141-L144 HydrophobicContact CD2-CD1 4.24Å; Y141-L144 VanDerWaalsContact O-CB 3.3Å; Y141-L144 WeakPolarHBondContact O-CB 3.17Å; Y141-L144 WeakPolarHBondContact O-CG 3.23Å; Y141-L144 PolarHBondContact O-N 3.34Å; Y141-L144 VanDerWaalsContact O-N 3.15Å; Y141-W145 HydrophobicContact CD1-CH2 4.47Å; Y141-W145 AromaticContact CD1-CZ3 3.89Å; Y141-W145 HydrophobicContact CD1-CZ3 3.89Å; Y141-W145 HydrophobicContact CD2-CH2 4.37Å; Y141-W145 HydrophobicContact CD2-CZ3 4.2Å; Y141-W145 AromaticContact CE1-CH2 3.81Å; Y141-W145 HydrophobicContact CE1-CH2 3.81Å; Y141-W145 AromaticContact CE1-CZ3 3.6Å; Y141-W145 HydrophobicContact CE1-CZ3 3.6Å; Y141-W145 AromaticContact CE2-CH2 3.7Å; Y141-W145 HydrophobicContact CE2-CH2 3.7Å; Y141-W145 AromaticContact CE2-CZ3 3.95Å; Y141-W145 HydrophobicContact CE2-CZ3 3.95Å; Y141-W145 HydrophobicContact CG-CZ3 4.19Å; Y141-W145 AromaticContact CZ-CH2 3.4Å; Y141-W145 AromaticContact CZ-CZ3 3.66Å; Y141-W145 VanDerWaalsContact O-CZ3 3.24Å; Y141-W145 WeakPolarHBondContact O-CZ3 3.27Å; Y141-W145 WeakPolarHBondContact OH-CH2 3.29Å; Y141-L174 HydrophobicContact CD2-CD2 4.27Å; Y141-L174 HydrophobicContact CG-CD2 4.42Å; Y141-M177 HydrophobicContact CE1-CB 4.48Å; Y141-F229 HydrophobicContact CD2-CD1 4.3Å; Y141-F229 AromaticContact CD2-CE1 3.84Å; Y141-F229 HydrophobicContact CD2-CE1 3.84Å; Y141-F229 HydrophobicContact CD2-CZ 4.25Å; Y141-F229 AromaticContact CE2-CD1 3.8Å; Y141-F229 HydrophobicContact CE2-CD1 3.8Å; Y141-F229 AromaticContact CE2-CE1 3.58Å; Y141-F229 HydrophobicContact CE2-CE1 3.58Å; Y141-F229 HydrophobicContact CE2-CZ 4.43Å; Y141-G233 WeakPolarHBondContact CE2-O 3.29Å; Y141-G233 VanDerWaalsContact OH-CA 3.24Å; Y141-G233 WeakPolarHBondContact OH-CA 3.42Å; Y141-G233 PolarHBondContact OH-O 3.49Å; Y141-I434 HydrophobicContact CD2-CD1 4.37Å |
| 142 | R | 87.5 | Confident | 90.1 | Very high | 52 Ų | 52 | 26.1 Ų | 26.1 | 20% | 0.196 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -28.8 | 177.5 | -71.3 | 176.3 | 176.1 | 176.5 | 3 | 112.6 | S122 R123 H124 H125 N138 L144 W145 R146 | S122-R142 PolarHBondContact O-NH2 3.18Å; R123-R142 PolarHBondContact O-NH2 2.86Å; H124-R142 PolarHBondContact O-NH1 3.41Å; H124-R142 PolarHBondContact O-NH2 3.11Å; H125-R142 PolarHBondContact CD2-NH1 2.63Å; H125-R142 PolarHBondContact CE1-NH1 3.18Å; H125-R142 VanDerWaalsContact CG-NH1 3.35Å; H125-R142 PolarHBondContact ND1-NH1 3.4Å; H125-R142 PolarHBondContact NE2-NH1 2.78Å; N138-R142 VanDerWaalsContact ND2-CZ 3.27Å; N138-R142 PolarHBondContact ND2-NH2 2.82Å; N138-R142 WeakPolarHBondContact O-CB 3.48Å; N138-R142 WeakPolarHBondContact O-CG 2.92Å; N138-R142 PolarHBondContact O-N 3.26Å; N138-R142 PolarHBondContact OD1-NE 3.4Å; R142-L144 PolarHBondContact O-N 3.15Å; R142-W145 PolarHBondContact O-N 2.88Å; R142-R146 PolarHBondContact O-N 3.5Å; R142-R146 VanDerWaalsContact O-N 3.15Å |
| 143 | S | 87.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -21.5 | 178.3 | -69 | 0 | 0 | 0 | 0 | 114 | D139 C140 Y141 W145 R146 R147 Y661 | D139-S143 WeakPolarHBondContact O-CB 3.44Å; D139-S143 PolarHBondContact O-N 3.22Å; D139-S143 PolarHBondContact O-OG 3.22Å; C140-S143 WeakPolarHBondContact O-CB 3.43Å; C140-S143 PolarHBondContact O-N 3.37Å; Y141-S143 PolarHBondContact O-N 3.11Å; S143-W145 VanDerWaalsContact C-N 3.32Å; S143-W145 PolarHBondContact O-N 3.13Å; S143-R146 PolarHBondContact O-N 3.48Å; S143-R146 PolarHBondContact OG-NE 3.43Å; S143-R146 PolarHBondContact OG-NH2 2.75Å; S143-R147 WeakPolarHBondContact O-CB 3.32Å; S143-R147 PolarHBondContact O-N 3.07Å; S143-Y661 VanDerWaalsContact CB-OH 3.3Å; S143-Y661 WeakPolarHBondContact CB-OH 2.74Å; S143-Y661 PolarHBondContact OG-OH 3.48Å |
| 144 | L | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.6 | -47.7 | 171.4 | -64.4 | 174.2 | 0 | 0 | 0 | 111.5 | Y141 R142 Q148 Q151 F229 F431 K432 I434 | Y141-L144 HydrophobicContact CD2-CD1 4.24Å; Y141-L144 VanDerWaalsContact O-CB 3.3Å; Y141-L144 WeakPolarHBondContact O-CB 3.17Å; Y141-L144 WeakPolarHBondContact O-CG 3.23Å; Y141-L144 PolarHBondContact O-N 3.34Å; Y141-L144 VanDerWaalsContact O-N 3.15Å; R142-L144 PolarHBondContact O-N 3.15Å; L144-Q148 VanDerWaalsContact O-CA 3.3Å; L144-Q148 WeakPolarHBondContact O-CA 3.43Å; L144-Q148 PolarHBondContact O-N 2.96Å; L144-Q148 VanDerWaalsContact O-N 3.08Å; L144-Q151 HydrophobicContact CD2-CG 3.87Å; L144-Q151 HydrophobicContact CG-CG 4.43Å; L144-F229 HydrophobicContact CD1-CB 4.16Å; L144-F229 HydrophobicContact CD1-CD1 4.44Å; L144-F229 HydrophobicContact CD1-CD2 3.79Å; L144-F229 HydrophobicContact CD1-CE2 4.32Å; L144-F229 HydrophobicContact CD1-CG 3.86Å; L144-F431 HydrophobicContact CB-CE1 4.13Å; L144-K432 HydrophobicContact CD2-CB 3.76Å; L144-I434 HydrophobicContact CD1-CD1 3.82Å; L144-I434 HydrophobicContact CD1-CG1 3.9Å; L144-I434 HydrophobicContact CD2-CG1 3.82Å; L144-I434 HydrophobicContact CG-CD1 4.23Å; L144-I434 HydrophobicContact CG-CG1 4.09Å |
| 145 | W | 86.3 | Confident | 89.9 | Confident | 82 Ų | 82 | 26.7 Ų | 26.7 | 31% | 0.311 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -81 | -35.4 | 176.9 | -63.9 | -87.7 | 0 | 0 | 0 | 113.4 | Y141 R142 S143 Q148 Q231 | Y141-W145 HydrophobicContact CD1-CH2 4.47Å; Y141-W145 AromaticContact CD1-CZ3 3.89Å; Y141-W145 HydrophobicContact CD1-CZ3 3.89Å; Y141-W145 HydrophobicContact CD2-CH2 4.37Å; Y141-W145 HydrophobicContact CD2-CZ3 4.2Å; Y141-W145 AromaticContact CE1-CH2 3.81Å; Y141-W145 HydrophobicContact CE1-CH2 3.81Å; Y141-W145 AromaticContact CE1-CZ3 3.6Å; Y141-W145 HydrophobicContact CE1-CZ3 3.6Å; Y141-W145 AromaticContact CE2-CH2 3.7Å; Y141-W145 HydrophobicContact CE2-CH2 3.7Å; Y141-W145 AromaticContact CE2-CZ3 3.95Å; Y141-W145 HydrophobicContact CE2-CZ3 3.95Å; Y141-W145 HydrophobicContact CG-CZ3 4.19Å; Y141-W145 AromaticContact CZ-CH2 3.4Å; Y141-W145 AromaticContact CZ-CZ3 3.66Å; Y141-W145 VanDerWaalsContact O-CZ3 3.24Å; Y141-W145 WeakPolarHBondContact O-CZ3 3.27Å; Y141-W145 WeakPolarHBondContact OH-CH2 3.29Å; R142-W145 PolarHBondContact O-N 2.88Å; S143-W145 VanDerWaalsContact C-N 3.32Å; S143-W145 PolarHBondContact O-N 3.13Å; W145-Q148 PolarHBondContact O-NE2 3.36Å; W145-Q231 PolarHBondContact NE1-O 2.94Å |
| 146 | R | 80.1 | Confident | 89.8 | Confident | 33 Ų | 33 | 27.4 Ų | 27.4 | 13% | 0.125 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -37 | -176.5 | 161.6 | 174.7 | 81.1 | 164.7 | 1.7 | 112.8 | D139 R142 S143 R714 E759 E763 | D139-R146 IonicContact OD1-CZ 3.91Å; D139-R146 IonicContact OD1-NH1 3.12Å; D139-R146 IonicContact OD1-NH2 2.87Å; D139-R146 PolarHBondContact OD1-NH2 3.44Å; D139-R146 IonicContact OD2-NH2 2.73Å; D139-R146 PolarHBondContact OD2-NH2 3.11Å; R142-R146 PolarHBondContact O-N 3.5Å; R142-R146 VanDerWaalsContact O-N 3.15Å; S143-R146 PolarHBondContact O-N 3.48Å; S143-R146 PolarHBondContact OG-NE 3.43Å; S143-R146 PolarHBondContact OG-NH2 2.75Å; R146-R714 VanDerWaalsContact CG-NH2 3.27Å; R146-R714 PolarHBondContact O-NH1 3.08Å; R146-E759 IonicContact NH1-OE1 2.84Å; R146-E759 IonicContact NH1-OE2 3.31Å; R146-E763 WeakPolarHBondContact CD-OE1 3.39Å; R146-E763 IonicContact NH1-OE1 2.73Å; R146-E763 IonicContact NH1-OE2 3.73Å |
| 147 | R | 79.6 | Confident | 89.6 | Confident | 82 Ų | 82 | 28 Ų | 28 | 31% | 0.309 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -110.1 | -16.2 | -176 | -62.2 | -172 | 175.7 | -177.6 | -1 | 113.6 | S143 Q149 N659 | S143-R147 WeakPolarHBondContact O-CB 3.32Å; S143-R147 PolarHBondContact O-N 3.07Å; R147-Q149 PolarHBondContact O-N 3.33Å; R147-N659 PolarHBondContact NH1-ND2 3.29Å; R147-N659 PolarHBondContact NH1-OD1 3.34Å |
| 148 | Q | 84.3 | Confident | 89.2 | Confident | 95 Ų | 95 | 30 Ų | 30 | 44% | 0.444 | 14% | 0.137 | S | C | . | . | trans | 56.7 | 28.7 | -178.2 | -61.6 | -66.8 | -41 | 0 | 0 | 113.8 | L144 W145 F431 K432 | L144-Q148 VanDerWaalsContact O-CA 3.3Å; L144-Q148 WeakPolarHBondContact O-CA 3.43Å; L144-Q148 PolarHBondContact O-N 2.96Å; L144-Q148 VanDerWaalsContact O-N 3.08Å; W145-Q148 PolarHBondContact O-NE2 3.36Å; Q148-F431 VanDerWaalsContact OE1-CE2 3.24Å; Q148-K432 WeakPolarHBondContact O-CE 3.48Å; Q148-K432 PolarHBondContact O-NZ 2.84Å | ||
| 149 | Q | 88.3 | Confident | 88.8 | Confident | 102 Ų | 102 | 30 Ų | 30 | 48% | 0.477 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -124.4 | 157.6 | -178.7 | -72.9 | 175.7 | -3.2 | 0 | 0 | 110.5 | R147 Q151 | R147-Q149 PolarHBondContact O-N 3.33Å; Q149-Q151 PolarHBondContact O-NE2 3.48Å |
| 150 | N | 92.9 | Very high | 88.6 | Confident | 49 Ų | 49 | 29.6 Ų | 29.6 | 26% | 0.262 | 14% | 0.137 | S | C | . | . | trans | -65.4 | 145.3 | 169.6 | -65.8 | -29.6 | 0 | 0 | 0 | 109.5 | S433 S658 N659 | N150-S433 WeakPolarHBondContact CA-O 3.34Å; N150-S433 PolarHBondContact OD1-N 3.45Å; N150-S433 PolarHBondContact OD1-OG 3.22Å; N150-S658 WeakPolarHBondContact O-CA 3.46Å; N150-N659 PolarHBondContact O-N 3.42Å | ||
| 151 | Q | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147 | 179.2 | -50.1 | -60.5 | -63.6 | 0 | 0 | 108.9 | C140 L144 Q149 S433 I434 S435 N659 Y661 | C140-Q151 WeakPolarHBondContact SG-CB 3.4Å; L144-Q151 HydrophobicContact CD2-CG 3.87Å; L144-Q151 HydrophobicContact CG-CG 4.43Å; Q149-Q151 PolarHBondContact O-NE2 3.48Å; Q151-S433 PolarHBondContact N-O 3.12Å; Q151-I434 HydrophobicContact CB-CG1 4.4Å; Q151-I434 CarbonylContact O-C 3.49Å; Q151-I434 WeakPolarHBondContact O-CA 3.24Å; Q151-S435 PolarHBondContact O-N 2.98Å; Q151-N659 WeakPolarHBondContact CA-O 3.31Å; Q151-N659 PolarHBondContact OE1-ND2 2.88Å; Q151-Y661 HydrophobicContact CB-CE2 4.38Å |
| 152 | C | 94.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.5 | 171.1 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | L154 S435 L655 N659 P660 Y661 | C152-L154 HydrophobicContact CB-CD1 4.35Å; C152-S435 CarbonylContact C-O 3.58Å; C152-S435 WeakPolarHBondContact CA-O 3.49Å; C152-L655 HydrophobicContact CB-CD2 3.92Å; C152-N659 PolarHBondContact N-O 3.26Å; C152-P660 CarbonylContact O-C 3.38Å; C152-P660 WeakPolarHBondContact O-CA 3.18Å; C152-P660 WeakPolarHBondContact SG-CA 3.36Å; C152-Y661 PolarHBondContact O-N 2.93Å |
| 153 | V | 95 | Very high | 88.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.7 | 173.7 | -172.8 | 0 | 0 | 0 | 0 | 107.6 | C140 I155 I170 S435 L437 Y661 I663 | C140-V153 HydrophobicContact CB-CG2 4.43Å; V153-I155 HydrophobicContact CG1-CG1 4.34Å; V153-I170 HydrophobicContact CG1-CD1 3.97Å; V153-S435 PolarHBondContact N-O 3.49Å; V153-L437 PolarHBondContact O-N 2.93Å; V153-Y661 CarbonylContact C-O 3.58Å; V153-Y661 WeakPolarHBondContact CA-O 3.37Å; V153-I663 HydrophobicContact CG1-CD1 3.73Å; V153-I663 HydrophobicContact CG1-CG1 4.18Å |
| 154 | L | 92.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.3 | 178.8 | -63.6 | 92.3 | 0 | 0 | 0 | 109 | C152 L437 L462 Y465 L655 P660 Y661 F662 I663 | C152-L154 HydrophobicContact CB-CD1 4.35Å; L154-L437 HydrophobicContact CD2-CD2 4.27Å; L154-L462 HydrophobicContact CD2-CD2 4.25Å; L154-Y465 HydrophobicContact CD1-CE1 4.12Å; L154-Y465 HydrophobicContact CD2-CD1 3.75Å; L154-Y465 HydrophobicContact CD2-CE1 3.68Å; L154-L655 HydrophobicContact CD2-CD1 4.21Å; L154-L655 HydrophobicContact CD2-CD2 4.47Å; L154-P660 HydrophobicContact CD1-CB 3.62Å; L154-Y661 PolarHBondContact N-O 3.03Å; L154-F662 HydrophobicContact CB-CD1 3.96Å; L154-F662 HydrophobicContact CB-CE1 4.27Å; L154-F662 HydrophobicContact CD1-CD1 4.32Å; L154-F662 HydrophobicContact CD1-CE1 4.01Å; L154-F662 HydrophobicContact CD2-CE1 4.22Å; L154-F662 HydrophobicContact CG-CE1 4.41Å; L154-I663 PolarHBondContact O-N 3.1Å |
| 155 | I | 92.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.4 | 179.3 | -50.9 | 167.8 | 0 | 0 | 0 | 107.9 | V153 K163 T167 I170 I436 L437 I663 | V153-I155 HydrophobicContact CG1-CG1 4.34Å; I155-K163 HydrophobicContact CG2-CB 3.89Å; I155-K163 HydrophobicContact CG2-CG 3.97Å; I155-T167 VanDerWaalsContact CD1-OG1 3.3Å; I155-T167 WeakPolarHBondContact CD1-OG1 3.33Å; I155-I170 HydrophobicContact CD1-CD1 3.95Å; I155-I436 HydrophobicContact CD1-CG2 4.03Å; I155-L437 PolarHBondContact N-O 2.84Å; I155-I663 HydrophobicContact CG1-CB 4.31Å; I155-I663 HydrophobicContact CG1-CD1 4.31Å; I155-I663 HydrophobicContact CG2-CB 4.39Å; I155-I663 HydrophobicContact CG2-CG2 4.39Å |
| 156 | S | 89.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159 | -174.7 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | I663 R664 C665 | S156-I663 PolarHBondContact N-O 3.45Å; S156-I663 PolarHBondContact OG-O 3.11Å; S156-R664 WeakPolarHBondContact OG-CD 3.44Å; S156-R664 PolarHBondContact OG-NE 3.07Å; S156-R664 PolarHBondContact OG-NH1 3.41Å; S156-C665 WeakPolarHBondContact O-CB 3.46Å; S156-C665 PolarHBondContact O-N 3.37Å |
| 157 | G | 87.9 | Confident | 89.3 | Confident | 13 Ų | 13 | 28.3 Ų | 28.3 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | trans | 147.3 | 166.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K163 G441 C665 | G157-K163 PolarHBondContact O-NZ 2.96Å; G157-G441 VanDerWaalsContact O-CA 3.3Å; G157-G441 WeakPolarHBondContact O-CA 3.19Å; G157-C665 WeakPolarHBondContact CA-O 3.39Å | ||
| 158 | E | 85.9 | Confident | 89.8 | Confident | 45 Ų | 45 | 26 Ų | 26 | 21% | 0.21 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -62.6 | 166.5 | 179.2 | -60.7 | -171.8 | 159.8 | 0 | 0 | 113.1 | G160 A161 K163 Q685 Y688 | E158-G160 PolarHBondContact O-N 3.12Å; E158-A161 VanDerWaalsContact O-CB 3.29Å; E158-A161 WeakPolarHBondContact O-CB 3.46Å; E158-A161 PolarHBondContact O-N 3.32Å; E158-A161 VanDerWaalsContact O-N 3.14Å; E158-K163 PolarHBondContact O-NZ 3.35Å; E158-Q685 HydrophobicContact CG-CG 4.33Å; E158-Y688 VanDerWaalsContact CD-OH 3.28Å; E158-Y688 WeakPolarHBondContact CG-OH 3.4Å; E158-Y688 PolarHBondContact OE1-OH 2.85Å |
| 159 | S | 84.2 | Confident | 90.2 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 123.7 | 171.6 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | E443 | S159-E443 PolarHBondContact OG-OE1 3.15Š|
| 160 | G | 83.9 | Confident | 90.5 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 6% | 0.062 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 3.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | N104 E158 G162 | N104-G160 PolarHBondContact ND2-O 2.69Å; E158-G160 PolarHBondContact O-N 3.12Å; G160-G162 VanDerWaalsContact C-N 3.28Å; G160-G162 PolarHBondContact O-N 2.95Å |
| 161 | A | 88.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 15 Ų | 15 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -74.3 | -8.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E158 C665 K667 | E158-A161 VanDerWaalsContact O-CB 3.29Å; E158-A161 WeakPolarHBondContact O-CB 3.46Å; E158-A161 PolarHBondContact O-N 3.32Å; E158-A161 VanDerWaalsContact O-N 3.14Å; A161-C665 HydrophobicContact CB-CB 3.7Å; A161-C665 WeakPolarHBondContact O-CB 3.34Å; A161-K667 HydrophobicContact CB-CB 4.39Å |
| 162 | G | 89.7 | Confident | 90.2 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 19% | 0.186 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 97.5 | 26 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G160 S166 | G160-G162 VanDerWaalsContact C-N 3.28Å; G160-G162 PolarHBondContact O-N 2.95Å; G162-S166 WeakPolarHBondContact O-CB 3.34Å; G162-S166 PolarHBondContact O-N 2.7Å; G162-S166 VanDerWaalsContact O-N 3.09Å; G162-S166 PolarHBondContact O-OG 2.9Å |
| 163 | K | 89.8 | Confident | 90.2 | Very high | 14 Ų | 14 | 21.5 Ų | 21.5 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -51.5 | 178.7 | -60.3 | -172.7 | -69.7 | -70.7 | 0 | 112.4 | I155 G157 E158 E165 S166 T167 I439 C665 | I155-K163 HydrophobicContact CG2-CB 3.89Å; I155-K163 HydrophobicContact CG2-CG 3.97Å; G157-K163 PolarHBondContact O-NZ 2.96Å; E158-K163 PolarHBondContact O-NZ 3.35Å; K163-E165 PolarHBondContact O-N 2.79Å; K163-S166 WeakPolarHBondContact O-CA 3.48Å; K163-S166 VanDerWaalsContact O-CB 3.28Å; K163-S166 WeakPolarHBondContact O-CB 3.39Å; K163-S166 PolarHBondContact O-N 2.86Å; K163-T167 PolarHBondContact O-N 2.75Å; K163-T167 PolarHBondContact O-OG1 2.95Å; K163-T167 VanDerWaalsContact O-OG1 3.11Å; K163-I439 WeakPolarHBondContact CE-O 3.49Å; K163-C665 HydrophobicContact CG-CB 4.23Å |
| 164 | T | 87.9 | Confident | 90 | Very high | 23 Ų | 23 | 21.5 Ų | 21.5 | 14% | 0.141 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | -179.5 | -45.7 | 0 | 0 | 0 | 0 | 113.3 | T167 K168 S219 D438 | T164-T167 WeakPolarHBondContact O-CB 3.28Å; T164-T167 PolarHBondContact O-N 3.41Å; T164-K168 WeakPolarHBondContact O-CG 3.29Å; T164-K168 PolarHBondContact O-N 2.93Å; T164-S219 PolarHBondContact OG1-OG 2.97Å; T164-D438 VanDerWaalsContact CA-OD2 3.24Å; T164-D438 WeakPolarHBondContact CA-OD2 3.48Å; T164-D438 PolarHBondContact OG1-OD2 2.83Å |
| 165 | E | 89.9 | Confident | 89.8 | Confident | 94 Ų | 94 | 21.1 Ų | 21.1 | 44% | 0.439 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 173.1 | -63.9 | -52.6 | 137.3 | 0 | 0 | 111.5 | K163 T167 K168 L169 | K163-E165 PolarHBondContact O-N 2.79Å; E165-T167 VanDerWaalsContact C-N 3.33Å; E165-T167 PolarHBondContact O-N 3.25Å; E165-K168 PolarHBondContact O-N 3.07Å; E165-K168 WeakPolarHBondContact OE1-CE 3.3Å; E165-K168 IonicContact OE1-NZ 3.93Å; E165-K168 PolarHBondContact OE1-NZ 3.24Å; E165-K168 WeakPolarHBondContact OE2-CE 3.44Å; E165-K168 IonicContact OE2-NZ 3.12Å; E165-K168 PolarHBondContact OE2-NZ 3.14Å; E165-L169 VanDerWaalsContact O-CG 3.28Å; E165-L169 WeakPolarHBondContact O-CG 3.42Å; E165-L169 PolarHBondContact O-N 3.41Å |
| 166 | S | 93.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | I133 G162 K163 L169 I170 | I133-S166 WeakPolarHBondContact CD1-O 3.38Å; G162-S166 WeakPolarHBondContact O-CB 3.34Å; G162-S166 PolarHBondContact O-N 2.7Å; G162-S166 VanDerWaalsContact O-N 3.09Å; G162-S166 PolarHBondContact O-OG 2.9Å; K163-S166 WeakPolarHBondContact O-CA 3.48Å; K163-S166 VanDerWaalsContact O-CB 3.28Å; K163-S166 WeakPolarHBondContact O-CB 3.39Å; K163-S166 PolarHBondContact O-N 2.86Å; S166-L169 PolarHBondContact O-N 3.31Å; S166-I170 WeakPolarHBondContact O-CG1 3.47Å; S166-I170 PolarHBondContact O-N 2.87Å |
| 167 | T | 91.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 173.3 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | I155 K163 T164 E165 L169 I170 L171 I436 D438 | I155-T167 VanDerWaalsContact CD1-OG1 3.3Å; I155-T167 WeakPolarHBondContact CD1-OG1 3.33Å; K163-T167 PolarHBondContact O-N 2.75Å; K163-T167 PolarHBondContact O-OG1 2.95Å; K163-T167 VanDerWaalsContact O-OG1 3.11Å; T164-T167 WeakPolarHBondContact O-CB 3.28Å; T164-T167 PolarHBondContact O-N 3.41Å; E165-T167 VanDerWaalsContact C-N 3.33Å; E165-T167 PolarHBondContact O-N 3.25Å; T167-L169 VanDerWaalsContact C-N 3.33Å; T167-L169 PolarHBondContact O-N 2.81Å; T167-I170 PolarHBondContact O-N 3.12Å; T167-L171 HydrophobicContact CG2-CD1 4.17Å; T167-L171 WeakPolarHBondContact O-CG 3.3Å; T167-L171 PolarHBondContact O-N 3.29Å; T167-I436 HydrophobicContact CG2-CG2 3.92Å; T167-D438 HydrophobicContact CG2-CB 4.16Å; T167-D438 VanDerWaalsContact OG1-CB 3.31Å; T167-D438 WeakPolarHBondContact OG1-CB 3.25Å; T167-D438 VanDerWaalsContact OG1-CG 3.23Å; T167-D438 PolarHBondContact OG1-OD2 2.88Å; T167-D438 VanDerWaalsContact OG1-OD2 3.06Å |
| 168 | K | 89.3 | Confident | 89.1 | Confident | 32 Ų | 32 | 21 Ų | 21 | 14% | 0.139 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 179.3 | -75.5 | -175.3 | -71.4 | -161.8 | 0 | 112 | T164 E165 L171 R172 E205 | T164-K168 WeakPolarHBondContact O-CG 3.29Å; T164-K168 PolarHBondContact O-N 2.93Å; E165-K168 PolarHBondContact O-N 3.07Å; E165-K168 WeakPolarHBondContact OE1-CE 3.3Å; E165-K168 IonicContact OE1-NZ 3.93Å; E165-K168 PolarHBondContact OE1-NZ 3.24Å; E165-K168 WeakPolarHBondContact OE2-CE 3.44Å; E165-K168 IonicContact OE2-NZ 3.12Å; E165-K168 PolarHBondContact OE2-NZ 3.14Å; K168-L171 PolarHBondContact O-N 2.85Å; K168-R172 WeakPolarHBondContact O-CB 3.34Å; K168-R172 VanDerWaalsContact O-CG 3.29Å; K168-R172 WeakPolarHBondContact O-CG 3.23Å; K168-R172 PolarHBondContact O-N 3.24Å; K168-E205 WeakPolarHBondContact CD-OE1 3.27Å; K168-E205 WeakPolarHBondContact CE-OE1 3.41Å; K168-E205 IonicContact NZ-OE1 2.66Å; K168-E205 PolarHBondContact NZ-OE1 3.27Å; K168-E205 IonicContact NZ-OE2 3.31Å |
| 169 | L | 93.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.6 | -70.4 | 169.8 | 0 | 0 | 0 | 112.2 | Y113 I133 F134 E165 S166 T167 R172 F173 | Y113-L169 HydrophobicContact CD1-CD1 3.82Å; Y113-L169 HydrophobicContact CD1-CD2 3.53Å; Y113-L169 HydrophobicContact CD1-CG 4.3Å; Y113-L169 HydrophobicContact CD2-CD2 4.26Å; Y113-L169 HydrophobicContact CE1-CD1 3.39Å; Y113-L169 HydrophobicContact CE1-CD2 4.05Å; Y113-L169 HydrophobicContact CE1-CG 4.35Å; Y113-L169 HydrophobicContact CE2-CD1 4.28Å; Y113-L169 HydrophobicContact CG-CD1 4.41Å; Y113-L169 HydrophobicContact CG-CD2 3.64Å; I133-L169 HydrophobicContact CD1-CB 4.47Å; I133-L169 HydrophobicContact CG2-CB 4.25Å; I133-L169 HydrophobicContact CG2-CD1 4.31Å; F134-L169 HydrophobicContact CE1-CB 4.13Å; F134-L169 HydrophobicContact CE1-CD2 4.39Å; F134-L169 HydrophobicContact CZ-CD2 4.32Å; E165-L169 VanDerWaalsContact O-CG 3.28Å; E165-L169 WeakPolarHBondContact O-CG 3.42Å; E165-L169 PolarHBondContact O-N 3.41Å; S166-L169 PolarHBondContact O-N 3.31Å; T167-L169 VanDerWaalsContact C-N 3.33Å; T167-L169 PolarHBondContact O-N 2.81Å; L169-R172 PolarHBondContact O-N 2.72Å; L169-F173 WeakPolarHBondContact O-CB 3.41Å; L169-F173 PolarHBondContact O-N 3.43Å |
| 170 | I | 94.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 175.9 | -65.7 | 161.2 | 0 | 0 | 0 | 110.5 | I133 A137 V153 I155 S166 T167 R172 F173 L174 I436 I663 | I133-I170 HydrophobicContact CD1-CD1 3.94Å; I133-I170 HydrophobicContact CD1-CG1 3.79Å; I133-I170 HydrophobicContact CG1-CD1 4.15Å; I133-I170 HydrophobicContact CG1-CG1 3.77Å; A137-I170 HydrophobicContact CB-CG1 4.47Å; A137-I170 HydrophobicContact CB-CG2 4.15Å; V153-I170 HydrophobicContact CG1-CD1 3.97Å; I155-I170 HydrophobicContact CD1-CD1 3.95Å; S166-I170 WeakPolarHBondContact O-CG1 3.47Å; S166-I170 PolarHBondContact O-N 2.87Å; T167-I170 PolarHBondContact O-N 3.12Å; I170-R172 PolarHBondContact O-N 3.19Å; I170-F173 PolarHBondContact O-N 2.79Å; I170-L174 HydrophobicContact CG2-CD1 3.85Å; I170-L174 HydrophobicContact CG2-CG 4.25Å; I170-L174 WeakPolarHBondContact O-CG 3.32Å; I170-L174 PolarHBondContact O-N 3.09Å; I170-I436 HydrophobicContact CB-CD1 4.29Å; I170-I436 HydrophobicContact CG2-CD1 3.56Å; I170-I436 HydrophobicContact CG2-CG1 4.22Å; I170-I663 HydrophobicContact CD1-CD1 3.7Å |
| 171 | L | 91.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -47 | 177.1 | -72 | 174.4 | 0 | 0 | 0 | 111.4 | T167 K168 F173 L174 S175 L198 V225 L227 I436 | T167-L171 HydrophobicContact CG2-CD1 4.17Å; T167-L171 WeakPolarHBondContact O-CG 3.3Å; T167-L171 PolarHBondContact O-N 3.29Å; K168-L171 PolarHBondContact O-N 2.85Å; L171-F173 VanDerWaalsContact C-N 3.33Å; L171-F173 PolarHBondContact O-N 3.05Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-S175 WeakPolarHBondContact O-CB 3.22Å; L171-S175 PolarHBondContact O-N 3.08Å; L171-S175 PolarHBondContact O-OG 3.25Å; L171-S175 VanDerWaalsContact O-OG 3.12Å; L171-L198 HydrophobicContact CB-CD2 4.15Å; L171-V225 HydrophobicContact CD2-CG1 4.15Å; L171-L227 HydrophobicContact CD2-CD1 3.89Å; L171-L227 HydrophobicContact CD2-CD2 4.37Å; L171-L227 HydrophobicContact CD2-CG 4.41Å; L171-I436 HydrophobicContact CD2-CD1 3.59Å; L171-I436 HydrophobicContact CG-CD1 4.02Å |
| 172 | R | 90.4 | Very high | 85.2 | Confident | 138 Ų | 138 | 30.9 Ų | 30.9 | 52% | 0.521 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.4 | -44.3 | 175.4 | -76.1 | 176.4 | 179.1 | 175.5 | 1 | 112.2 | K168 L169 I170 A176 L198 | K168-R172 WeakPolarHBondContact O-CB 3.34Å; K168-R172 VanDerWaalsContact O-CG 3.29Å; K168-R172 WeakPolarHBondContact O-CG 3.23Å; K168-R172 PolarHBondContact O-N 3.24Å; L169-R172 PolarHBondContact O-N 2.72Å; I170-R172 PolarHBondContact O-N 3.19Å; R172-A176 PolarHBondContact O-N 3.47Å; R172-L198 HydrophobicContact CB-CD2 4.39Å; R172-L198 HydrophobicContact CG-CD2 3.68Å |
| 173 | F | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -48.6 | 178.4 | -176.9 | -92.2 | 0 | 0 | 0 | 112 | I118 F134 A137 N138 L169 I170 L171 S175 A176 M177 | I118-F173 HydrophobicContact CB-CD2 4.37Å; I118-F173 HydrophobicContact CG1-CD2 4.35Å; I118-F173 HydrophobicContact CG2-CD2 3.8Å; I118-F173 HydrophobicContact CG2-CE2 4.03Å; F134-F173 HydrophobicContact CB-CD2 3.57Å; F134-F173 HydrophobicContact CB-CE2 3.7Å; F134-F173 HydrophobicContact CB-CG 4.21Å; F134-F173 HydrophobicContact CB-CZ 4.43Å; F134-F173 HydrophobicContact CD1-CB 3.65Å; F134-F173 AromaticContact CD1-CD2 3.62Å; F134-F173 HydrophobicContact CD1-CD2 3.62Å; F134-F173 AromaticContact CD1-CG 3.84Å; F134-F173 HydrophobicContact CD1-CG 3.84Å; F134-F173 HydrophobicContact CD2-CD2 4.19Å; F134-F173 HydrophobicContact CE1-CB 3.97Å; F134-F173 HydrophobicContact CE1-CD2 4.36Å; F134-F173 HydrophobicContact CG-CB 4.44Å; F134-F173 AromaticContact CG-CD2 3.53Å; F134-F173 HydrophobicContact CG-CD2 3.53Å; F134-F173 HydrophobicContact CG-CE2 4.12Å; F134-F173 HydrophobicContact CG-CG 4.18Å; A137-F173 HydrophobicContact CB-CB 4.45Å; A137-F173 HydrophobicContact CB-CD1 3.49Å; A137-F173 VanDerWaalsContact CB-CD1 3.49Å; A137-F173 HydrophobicContact CB-CE1 4.05Å; A137-F173 HydrophobicContact CB-CG 4.15Å; N138-F173 HydrophobicContact CB-CE1 3.74Å; N138-F173 HydrophobicContact CB-CZ 3.74Å; L169-F173 WeakPolarHBondContact O-CB 3.41Å; L169-F173 PolarHBondContact O-N 3.43Å; I170-F173 PolarHBondContact O-N 2.79Å; L171-F173 VanDerWaalsContact C-N 3.33Å; L171-F173 PolarHBondContact O-N 3.05Å; F173-S175 PolarHBondContact O-N 3.31Å; F173-A176 PolarHBondContact O-N 3.29Å; F173-M177 HydrophobicContact CD1-CG 4Å; F173-M177 HydrophobicContact CE1-CG 3.57Å; F173-M177 HydrophobicContact CE1-SD 4.17Å; F173-M177 HydrophobicContact CZ-CE 4.42Å; F173-M177 HydrophobicContact CZ-CG 3.9Å; F173-M177 HydrophobicContact CZ-SD 3.91Å; F173-M177 VanDerWaalsContact O-CG 3.31Å; F173-M177 WeakPolarHBondContact O-CG 3.27Å; F173-M177 PolarHBondContact O-N 3.26Å |
| 174 | L | 91.8 | Very high | 81.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | -179.9 | -67.5 | 176.9 | 0 | 0 | 0 | 112.2 | Y141 I170 L171 M177 S178 L227 I434 I436 | Y141-L174 HydrophobicContact CD2-CD2 4.27Å; Y141-L174 HydrophobicContact CG-CD2 4.42Å; I170-L174 HydrophobicContact CG2-CD1 3.85Å; I170-L174 HydrophobicContact CG2-CG 4.25Å; I170-L174 WeakPolarHBondContact O-CG 3.32Å; I170-L174 PolarHBondContact O-N 3.09Å; L171-L174 PolarHBondContact O-N 3.4Å; L174-M177 PolarHBondContact O-N 3.46Å; L174-S178 PolarHBondContact O-N 2.95Å; L174-L227 HydrophobicContact CB-CD1 4.35Å; L174-L227 HydrophobicContact CD1-CD1 3.79Å; L174-I434 HydrophobicContact CD1-CD1 4.25Å; L174-I434 HydrophobicContact CD1-CG2 4.25Å; L174-I434 HydrophobicContact CD2-CD1 4.09Å; L174-I436 HydrophobicContact CD1-CD1 4.24Å |
| 175 | S | 88.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 173 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | L171 F173 M177 S178 Q179 | L171-S175 WeakPolarHBondContact O-CB 3.22Å; L171-S175 PolarHBondContact O-N 3.08Å; L171-S175 PolarHBondContact O-OG 3.25Å; L171-S175 VanDerWaalsContact O-OG 3.12Å; F173-S175 PolarHBondContact O-N 3.31Å; S175-M177 VanDerWaalsContact C-N 3.35Å; S175-M177 PolarHBondContact O-N 3Å; S175-S178 WeakPolarHBondContact O-CB 3.49Å; S175-S178 PolarHBondContact O-N 2.57Å; S175-Q179 WeakPolarHBondContact O-CG 3.43Å; S175-Q179 PolarHBondContact O-N 2.96Å |
| 176 | A | 86.6 | Confident | 76.6 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I118 R172 F173 S178 Q179 H180 | I118-A176 HydrophobicContact CG2-CB 3.82Å; R172-A176 PolarHBondContact O-N 3.47Å; F173-A176 PolarHBondContact O-N 3.29Å; A176-S178 VanDerWaalsContact C-N 3.35Å; A176-S178 PolarHBondContact O-N 3.09Å; A176-Q179 PolarHBondContact O-N 3.32Å; A176-H180 PolarHBondContact O-CD2 2.85Å; A176-H180 PolarHBondContact O-N 3.38Å; A176-H180 VanDerWaalsContact O-N 3.15Å |
| 177 | M | 84.4 | Confident | 74.1 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.069 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 176.8 | -67.8 | -63.3 | 92.6 | 0 | 0 | 112.9 | I118 S122 Y141 F173 L174 S175 S181 | I118-M177 HydrophobicContact CG2-CE 4.21Å; S122-M177 WeakPolarHBondContact CB-SD 3.27Å; Y141-M177 HydrophobicContact CE1-CB 4.48Å; F173-M177 HydrophobicContact CD1-CG 4Å; F173-M177 HydrophobicContact CE1-CG 3.57Å; F173-M177 HydrophobicContact CE1-SD 4.17Å; F173-M177 HydrophobicContact CZ-CE 4.42Å; F173-M177 HydrophobicContact CZ-CG 3.9Å; F173-M177 HydrophobicContact CZ-SD 3.91Å; F173-M177 VanDerWaalsContact O-CG 3.31Å; F173-M177 WeakPolarHBondContact O-CG 3.27Å; F173-M177 PolarHBondContact O-N 3.26Å; L174-M177 PolarHBondContact O-N 3.46Å; S175-M177 VanDerWaalsContact C-N 3.35Å; S175-M177 PolarHBondContact O-N 3Å; M177-S181 PolarHBondContact O-OG 3.07Å |
| 178 | S | 83.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 172.7 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | L174 S175 A176 S181 L182 E194 N234 I235 | L174-S178 PolarHBondContact O-N 2.95Å; S175-S178 WeakPolarHBondContact O-CB 3.49Å; S175-S178 PolarHBondContact O-N 2.57Å; A176-S178 VanDerWaalsContact C-N 3.35Å; A176-S178 PolarHBondContact O-N 3.09Å; S178-S181 WeakPolarHBondContact O-CB 3.44Å; S178-S181 PolarHBondContact O-N 3.08Å; S178-S181 VanDerWaalsContact O-N 3.17Å; S178-L182 PolarHBondContact O-N 2.91Å; S178-E194 PolarHBondContact OG-OE1 2.92Å; S178-N234 WeakPolarHBondContact OG-CA 3.31Å; S178-I235 PolarHBondContact OG-N 2.9Å |
| 179 | Q | 76 | Confident | 69.4 | Low | 93 Ų | 93 | 71.1 Ų | 71.1 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | -176.3 | -69.9 | 174.3 | -1.8 | 0 | 0 | 113.1 | S175 A176 S181 L182 E183 | S175-Q179 WeakPolarHBondContact O-CG 3.43Å; S175-Q179 PolarHBondContact O-N 2.96Å; A176-Q179 PolarHBondContact O-N 3.32Å; Q179-S181 PolarHBondContact O-N 2.82Å; Q179-L182 WeakPolarHBondContact O-CB 3.35Å; Q179-L182 PolarHBondContact O-N 2.61Å; Q179-E183 PolarHBondContact O-N 2.91Å |
| 180 | H | 69.1 | Low | 67 | Low | 81 Ų | 81 | 75.3 Ų | 75.3 | 38% | 0.375 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60 | -28 | 174.4 | -77.7 | -62.5 | 0 | 0 | 0 | 113.4 | A176 L182 | A176-H180 PolarHBondContact O-CD2 2.85Å; A176-H180 PolarHBondContact O-N 3.38Å; A176-H180 VanDerWaalsContact O-N 3.15Å; H180-L182 VanDerWaalsContact C-N 3.34Å |
| 181 | S | 60.6 | Low | 65.1 | Low | 41 Ų | 41 | 78.2 Ų | 78.2 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -78.8 | -20.6 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | M177 S178 Q179 N234 | M177-S181 PolarHBondContact O-OG 3.07Å; S178-S181 WeakPolarHBondContact O-CB 3.44Å; S178-S181 PolarHBondContact O-N 3.08Å; S178-S181 VanDerWaalsContact O-N 3.17Å; Q179-S181 PolarHBondContact O-N 2.82Å; S181-N234 WeakPolarHBondContact CB-OD1 2.89Å |
| 182 | L | 57.1 | Low | 64 | Low | 53 Ų | 53 | 83.4 Ų | 83.4 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -86.3 | -31 | 177.8 | -78.1 | 159.2 | 0 | 0 | 0 | 113.9 | S178 Q179 H180 V184 S185 N234 | S178-L182 PolarHBondContact O-N 2.91Å; Q179-L182 WeakPolarHBondContact O-CB 3.35Å; Q179-L182 PolarHBondContact O-N 2.61Å; H180-L182 VanDerWaalsContact C-N 3.34Å; L182-V184 PolarHBondContact O-N 2.99Å; L182-S185 CarbonylContact O-C 3.58Å; L182-S185 PolarHBondContact O-N 2.86Å; L182-S185 PolarHBondContact O-OG 2.64Å; L182-N234 WeakPolarHBondContact CD2-ND2 3.35Å; L182-N234 HydrophobicContact CG-CB 4.48Å; L182-N234 WeakPolarHBondContact CG-ND2 3.31Å |
| 183 | E | 52.1 | Low | 63.5 | Low | 161 Ų | 161 | 77.1 Ų | 77.1 | 75% | 0.752 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.5 | 178.3 | -74.7 | -175.1 | 155.1 | 0 | 0 | 113.6 | Q179 | Q179-E183 PolarHBondContact O-N 2.91Š|
| 184 | V | 47.8 | Very low | 63 | Low | 133 Ų | 133 | 77.9 Ų | 77.9 | 81% | 0.806 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -13.9 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | L182 | L182-V184 PolarHBondContact O-N 2.99Š|
| 185 | S | 39.3 | Very low | 62.4 | Low | 66 Ų | 66 | 81.5 Ų | 81.5 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -119.8 | 107.1 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | L182 | L182-S185 CarbonylContact O-C 3.58Å; L182-S185 PolarHBondContact O-N 2.86Å; L182-S185 PolarHBondContact O-OG 2.64Å |
| 186 | C | 37.5 | Very low | 62.2 | Low | 112 Ų | 112 | 81.4 Ų | 81.4 | 76% | 0.757 | 42% | 0.421 | S | S | * | . | trans | -50.2 | 147.5 | -178.6 | -61.3 | 0 | 0 | 0 | 0 | 115.9 | D188 | C186-D188 VanDerWaalsContact C-N 3.33Å; C186-D188 PolarHBondContact O-N 2.93Å | ||
| 187 | R | 38.8 | Very low | 62.1 | Low | 243 Ų | 243 | 80.6 Ų | 80.6 | 92% | 0.917 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 66.5 | -10.5 | 146.3 | -73 | -175.8 | -179.4 | -174.5 | -0.3 | 121.1 | K189 | R187-K189 PolarHBondContact O-N 2.9Š|
| 188 | D | 39.9 | Very low | 62.1 | Low | 128 Ų | 128 | 82.2 Ų | 82.2 | 68% | 0.684 | 42% | 0.423 | S | S | * | . | trans | -88.8 | 94.9 | 172.8 | -76.9 | -20.9 | 0 | 0 | 0 | 109.8 | C186 T190 | C186-D188 VanDerWaalsContact C-N 3.33Å; C186-D188 PolarHBondContact O-N 2.93Å; D188-T190 HydrophobicContact CB-CG2 3.82Å; D188-T190 PolarHBondContact O-N 2.97Å | ||
| 189 | K | 44.3 | Very low | 62.1 | Low | 193 Ų | 193 | 84.5 Ų | 84.5 | 84% | 0.839 | 43% | 0.434 | S | S | * | . | trans | -66 | 47.9 | 159.5 | -66 | -176.8 | 177.3 | -176.2 | 0 | 109.9 | R187 S191 | R187-K189 PolarHBondContact O-N 2.9Å; K189-S191 VanDerWaalsContact C-N 3.33Å; K189-S191 PolarHBondContact O-N 3.38Å | ||
| 190 | T | 41.5 | Very low | 62.6 | Low | 97 Ų | 97 | 80.1 Ų | 80.1 | 60% | 0.595 | 41% | 0.414 | S | S | * | . | trans | -72.9 | 95.5 | 178.7 | 44.6 | 0 | 0 | 0 | 0 | 108 | D188 | D188-T190 HydrophobicContact CB-CG2 3.82Å; D188-T190 PolarHBondContact O-N 2.97Å | ||
| 191 | S | 53.9 | Low | 63.4 | Low | 64 Ų | 64 | 76.5 Ų | 76.5 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | 56.4 | 114.4 | 165.2 | 64.6 | 0 | 0 | 0 | 0 | 115.8 | K189 V193 | K189-S191 VanDerWaalsContact C-N 3.33Å; K189-S191 PolarHBondContact O-N 3.38Å; S191-V193 PolarHBondContact O-N 3.1Å; S191-V193 VanDerWaalsContact OG-CG2 3.3Å; S191-V193 WeakPolarHBondContact OG-CG2 2.96Å | ||
| 192 | H | 68.2 | Low | 64.6 | Low | 111 Ų | 111 | 76.6 Ų | 76.6 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | trans | -58.9 | 51.2 | 167 | -68.7 | -101.5 | 0 | 0 | 0 | 112.9 | E195 A196 | H192-E195 HydrophobicContact CB-CB 4.15Å; H192-E195 IonicContact CE1-OE2 3.56Å; H192-E195 IonicContact CG-OE2 3.2Å; H192-E195 IonicContact ND1-OE2 3.77Å; H192-E195 PolarHBondContact ND1-OE2 3.22Å; H192-A196 WeakPolarHBondContact O-CB 3.15Å; H192-A196 PolarHBondContact O-N 3.22Å | ||
| 193 | V | 80.3 | Confident | 66.1 | Low | 7 Ų | 7 | 74.1 Ų | 74.1 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -73.2 | -37.8 | -176.4 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | S191 E195 A196 L197 I235 | S191-V193 PolarHBondContact O-N 3.1Å; S191-V193 VanDerWaalsContact OG-CG2 3.3Å; S191-V193 WeakPolarHBondContact OG-CG2 2.96Å; V193-E195 VanDerWaalsContact C-N 3.32Å; V193-E195 PolarHBondContact O-N 3.3Å; V193-A196 PolarHBondContact O-N 3.35Å; V193-L197 HydrophobicContact CG1-CD1 4.12Å; V193-L197 HydrophobicContact CG1-CG 4.46Å; V193-L197 WeakPolarHBondContact O-CB 3.23Å; V193-L197 VanDerWaalsContact O-CG 3.29Å; V193-L197 WeakPolarHBondContact O-CG 2.84Å; V193-L197 PolarHBondContact O-N 2.88Å; V193-I235 HydrophobicContact CG1-CG2 4.48Å |
| 194 | E | 81.8 | Confident | 67.7 | Low | 15 Ų | 15 | 66.5 Ų | 66.5 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.8 | -62.1 | 94 | 157.8 | 0 | 0 | 111.9 | S178 L197 L198 I235 | S178-E194 PolarHBondContact OG-OE1 2.92Å; E194-L197 PolarHBondContact O-N 3.47Å; E194-L198 WeakPolarHBondContact O-CG 3.4Å; E194-L198 PolarHBondContact O-N 2.95Å; E194-I235 HydrophobicContact CG-CB 4.37Å; E194-I235 HydrophobicContact CG-CD1 4.13Å |
| 195 | E | 80.4 | Confident | 69.6 | Low | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 175.7 | -169.2 | 173.3 | -171 | 0 | 0 | 110.6 | H192 V193 L197 L198 E199 T319 | H192-E195 HydrophobicContact CB-CB 4.15Å; H192-E195 IonicContact CE1-OE2 3.56Å; H192-E195 IonicContact CG-OE2 3.2Å; H192-E195 IonicContact ND1-OE2 3.77Å; H192-E195 PolarHBondContact ND1-OE2 3.22Å; V193-E195 VanDerWaalsContact C-N 3.32Å; V193-E195 PolarHBondContact O-N 3.3Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.16Å; E195-L198 PolarHBondContact O-N 3.16Å; E195-E199 HydrophobicContact CG-CG 4.35Å; E195-E199 WeakPolarHBondContact O-CG 3.42Å; E195-E199 PolarHBondContact O-N 2.91Å; E195-T319 HydrophobicContact CG-CG2 4.19Å |
| 196 | A | 84.1 | Confident | 71.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H192 V193 L198 E199 S200 M320 R424 I425 | H192-A196 WeakPolarHBondContact O-CB 3.15Å; H192-A196 PolarHBondContact O-N 3.22Å; V193-A196 PolarHBondContact O-N 3.35Å; A196-L198 VanDerWaalsContact C-N 3.25Å; A196-L198 PolarHBondContact O-N 3.12Å; A196-E199 PolarHBondContact O-N 2.96Å; A196-S200 PolarHBondContact O-N 2.79Å; A196-M320 HydrophobicContact CB-CE 4.17Å; A196-M320 HydrophobicContact CB-SD 3.96Å; A196-M320 WeakPolarHBondContact O-CE 3.48Å; A196-R424 HydrophobicContact CB-CG 4.37Å; A196-I425 HydrophobicContact CB-CG2 4.27Å |
| 197 | L | 84.4 | Confident | 74.2 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 177.4 | -75.6 | 164.7 | 0 | 0 | 0 | 112.8 | V193 E194 E195 S200 L227 I235 I425 | V193-L197 HydrophobicContact CG1-CD1 4.12Å; V193-L197 HydrophobicContact CG1-CG 4.46Å; V193-L197 WeakPolarHBondContact O-CB 3.23Å; V193-L197 VanDerWaalsContact O-CG 3.29Å; V193-L197 WeakPolarHBondContact O-CG 2.84Å; V193-L197 PolarHBondContact O-N 2.88Å; E194-L197 PolarHBondContact O-N 3.47Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 3.04Å; L197-L227 HydrophobicContact CD1-CD2 3.58Å; L197-L227 HydrophobicContact CD2-CD2 3.89Å; L197-L227 HydrophobicContact CG-CD2 4.34Å; L197-I235 HydrophobicContact CD1-CG2 3.85Å; L197-I425 HydrophobicContact CD2-CB 4.16Å; L197-I425 HydrophobicContact CD2-CD1 4.01Å; L197-I425 HydrophobicContact CD2-CG2 3.97Å; L197-I425 HydrophobicContact CG-CG2 4.22Å |
| 198 | L | 84.2 | Confident | 76.4 | Confident | 49 Ų | 49 | 42 Ų | 42 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.1 | -46.6 | 176.1 | -65.1 | 175.5 | 0 | 0 | 0 | 112 | L171 R172 E194 E195 A196 S200 S201 P202 | L171-L198 HydrophobicContact CB-CD2 4.15Å; R172-L198 HydrophobicContact CB-CD2 4.39Å; R172-L198 HydrophobicContact CG-CD2 3.68Å; E194-L198 WeakPolarHBondContact O-CG 3.4Å; E194-L198 PolarHBondContact O-N 2.95Å; E195-L198 PolarHBondContact O-N 3.16Å; A196-L198 VanDerWaalsContact C-N 3.25Å; A196-L198 PolarHBondContact O-N 3.12Å; L198-S200 PolarHBondContact O-N 3.41Å; L198-S201 PolarHBondContact O-N 2.69Å; L198-S201 VanDerWaalsContact O-N 3.17Å; L198-P202 WeakPolarHBondContact O-CD 3.48Å |
| 199 | E | 83.8 | Confident | 78.7 | Confident | 47 Ų | 47 | 36 Ų | 36 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -15.4 | 178.1 | -65.9 | -52.8 | 135.8 | 0 | 0 | 113.3 | E195 A196 S201 P202 A316 T319 M320 | E195-E199 HydrophobicContact CG-CG 4.35Å; E195-E199 WeakPolarHBondContact O-CG 3.42Å; E195-E199 PolarHBondContact O-N 2.91Å; A196-E199 PolarHBondContact O-N 2.96Å; E199-S201 VanDerWaalsContact C-N 3.25Å; E199-S201 PolarHBondContact O-N 2.92Å; E199-P202 WeakPolarHBondContact O-CD 3.36Å; E199-A316 HydrophobicContact CB-CB 4.35Å; E199-A316 VanDerWaalsContact OE2-CB 3.3Å; E199-A316 WeakPolarHBondContact OE2-CB 3.22Å; E199-T319 HydrophobicContact CG-CG2 4.16Å; E199-M320 HydrophobicContact CB-CE 4.29Å |
| 200 | S | 86.2 | Confident | 80.8 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -30.9 | 172.8 | 77.1 | 0 | 0 | 0 | 0 | 112.6 | A196 L197 L198 M204 | A196-S200 PolarHBondContact O-N 2.79Å; L197-S200 PolarHBondContact O-OG 3.04Å; L198-S200 PolarHBondContact O-N 3.41Å; S200-M204 VanDerWaalsContact C-CE 3.47Å; S200-M204 WeakPolarHBondContact O-CE 3.49Å; S200-M204 PolarHBondContact O-N 2.83Å; S200-M204 VanDerWaalsContact O-N 3.08Å; S200-M204 VanDerWaalsContact OG-CE 3.27Å; S200-M204 WeakPolarHBondContact OG-CE 3.39Å |
| 201 | S | 85.1 | Confident | 82.9 | Confident | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70 | -49.9 | -172 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | L198 E199 I203 M204 E205 K223 | L198-S201 PolarHBondContact O-N 2.69Å; L198-S201 VanDerWaalsContact O-N 3.17Å; E199-S201 VanDerWaalsContact C-N 3.25Å; E199-S201 PolarHBondContact O-N 2.92Å; S201-I203 VanDerWaalsContact C-N 3.28Å; S201-I203 PolarHBondContact O-N 3.06Å; S201-M204 PolarHBondContact O-N 2.97Å; S201-E205 WeakPolarHBondContact O-CG 3.23Å; S201-E205 PolarHBondContact O-N 3.44Å; S201-K223 PolarHBondContact OG-NZ 2.66Å |
| 202 | P | 86.9 | Confident | 84.3 | Confident | 43 Ų | 43 | 20.4 Ų | 20.4 | 28% | 0.279 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -54.1 | -41.3 | 174.4 | -26.8 | 34.3 | 0 | 0 | 0 | 113.8 | L198 E199 E205 A206 | L198-P202 WeakPolarHBondContact O-CD 3.48Å; E199-P202 WeakPolarHBondContact O-CD 3.36Å; P202-E205 PolarHBondContact O-N 3.07Å; P202-A206 WeakPolarHBondContact O-CB 3.23Å; P202-A206 PolarHBondContact O-N 2.69Å |
| 203 | I | 87.4 | Confident | 85 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.2 | -50.1 | 177.8 | -62.1 | 168.9 | 0 | 0 | 0 | 110.4 | S201 E205 A206 F207 A316 M317 M320 I417 L421 | S201-I203 VanDerWaalsContact C-N 3.28Å; S201-I203 PolarHBondContact O-N 3.06Å; I203-E205 VanDerWaalsContact C-N 3.33Å; I203-E205 PolarHBondContact O-N 2.89Å; I203-A206 PolarHBondContact O-N 3.2Å; I203-F207 HydrophobicContact CG2-CD2 4.42Å; I203-F207 WeakPolarHBondContact O-CD2 3.34Å; I203-F207 PolarHBondContact O-N 3.14Å; I203-A316 HydrophobicContact CD1-CB 4.39Å; I203-A316 HydrophobicContact CG1-CB 4.36Å; I203-M317 HydrophobicContact CB-CE 4.35Å; I203-M317 HydrophobicContact CD1-CE 4.21Å; I203-M317 HydrophobicContact CD1-CG 4.25Å; I203-M317 HydrophobicContact CD1-SD 3.79Å; I203-M317 HydrophobicContact CG1-CE 3.97Å; I203-M317 HydrophobicContact CG1-CG 4.47Å; I203-M317 HydrophobicContact CG1-SD 4.18Å; I203-M317 HydrophobicContact CG2-CE 3.57Å; I203-M317 HydrophobicContact CG2-SD 4.38Å; I203-M320 HydrophobicContact CD1-CB 4.35Å; I203-M320 HydrophobicContact CD1-CG 3.74Å; I203-I417 HydrophobicContact CG2-CG2 3.81Å; I203-L421 HydrophobicContact CD1-CD2 4.11Å; I203-L421 HydrophobicContact CG2-CD1 4.45Å |
| 204 | M | 86.7 | Confident | 84.8 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | 178.2 | -74.7 | -178.9 | -79.6 | 0 | 0 | 112.9 | S200 S201 G208 F221 K223 I240 I418 L421 | S200-M204 VanDerWaalsContact C-CE 3.47Å; S200-M204 WeakPolarHBondContact O-CE 3.49Å; S200-M204 PolarHBondContact O-N 2.83Å; S200-M204 VanDerWaalsContact O-N 3.08Å; S200-M204 VanDerWaalsContact OG-CE 3.27Å; S200-M204 WeakPolarHBondContact OG-CE 3.39Å; S201-M204 PolarHBondContact O-N 2.97Å; M204-G208 VanDerWaalsContact O-CA 3.24Å; M204-G208 WeakPolarHBondContact O-CA 3.35Å; M204-G208 PolarHBondContact O-N 3.29Å; M204-F221 HydrophobicContact CB-CE1 4.5Å; M204-F221 HydrophobicContact CB-CZ 3.8Å; M204-F221 HydrophobicContact CG-CZ 4.42Å; M204-F221 HydrophobicContact SD-CE2 4.32Å; M204-F221 HydrophobicContact SD-CZ 4.39Å; M204-K223 HydrophobicContact CE-CD 4.42Å; M204-K223 HydrophobicContact SD-CD 4.42Å; M204-I240 HydrophobicContact CE-CD1 3.72Å; M204-I240 HydrophobicContact SD-CD1 4.22Å; M204-I240 HydrophobicContact SD-CG2 3.84Å; M204-I418 HydrophobicContact CG-CD1 3.84Å; M204-I418 HydrophobicContact SD-CD1 3.94Å; M204-L421 HydrophobicContact CG-CD1 4Å |
| 205 | E | 86.7 | Confident | 84.8 | Confident | 30 Ų | 30 | 23.2 Ų | 23.2 | 14% | 0.14 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 176 | -69.8 | -172.7 | -155.1 | 0 | 0 | 111.1 | K168 S201 P202 I203 F207 N209 N217 | K168-E205 WeakPolarHBondContact CD-OE1 3.27Å; K168-E205 WeakPolarHBondContact CE-OE1 3.41Å; K168-E205 IonicContact NZ-OE1 2.66Å; K168-E205 PolarHBondContact NZ-OE1 3.27Å; K168-E205 IonicContact NZ-OE2 3.31Å; S201-E205 WeakPolarHBondContact O-CG 3.23Å; S201-E205 PolarHBondContact O-N 3.44Å; P202-E205 PolarHBondContact O-N 3.07Å; I203-E205 VanDerWaalsContact C-N 3.33Å; I203-E205 PolarHBondContact O-N 2.89Å; E205-F207 PolarHBondContact O-N 2.85Å; E205-N209 WeakPolarHBondContact CG-ND2 3.16Å; E205-N209 WeakPolarHBondContact O-CA 3.35Å; E205-N209 WeakPolarHBondContact O-CB 3.46Å; E205-N209 PolarHBondContact O-N 2.8Å; E205-N217 PolarHBondContact OE2-ND2 3.22Å |
| 206 | A | 87.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P202 I203 H262 I263 V311 | P202-A206 WeakPolarHBondContact O-CB 3.23Å; P202-A206 PolarHBondContact O-N 2.69Å; I203-A206 PolarHBondContact O-N 3.2Å; A206-H262 PolarHBondContact O-N 3.07Å; A206-I263 HydrophobicContact CB-CB 4.47Å; A206-I263 HydrophobicContact CB-CD1 4.38Å; A206-I263 WeakPolarHBondContact O-CB 3.42Å; A206-I263 PolarHBondContact O-N 3.3Å; A206-V311 HydrophobicContact CB-CB 4.35Å; A206-V311 HydrophobicContact CB-CG1 3.88Å; A206-V311 HydrophobicContact CB-CG2 3.6Å |
| 207 | F | 87.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -89.8 | -18 | -178.1 | -72.8 | -101.9 | 0 | 0 | 0 | 113.9 | I203 E205 Y261 I263 V311 M317 V330 L334 Y410 F414 I417 | I203-F207 HydrophobicContact CG2-CD2 4.42Å; I203-F207 WeakPolarHBondContact O-CD2 3.34Å; I203-F207 PolarHBondContact O-N 3.14Å; E205-F207 PolarHBondContact O-N 2.85Å; F207-Y261 VanDerWaalsContact O-CD1 3.27Å; F207-Y261 WeakPolarHBondContact O-CD1 3.35Å; F207-I263 HydrophobicContact CD1-CG1 4.34Å; F207-I263 HydrophobicContact CD1-CG2 4.2Å; F207-I263 HydrophobicContact CD2-CB 4.48Å; F207-I263 HydrophobicContact CD2-CD1 4.36Å; F207-I263 HydrophobicContact CD2-CG1 4.28Å; F207-I263 HydrophobicContact CE1-CG1 3.99Å; F207-I263 HydrophobicContact CE2-CD1 3.77Å; F207-I263 HydrophobicContact CE2-CG1 3.91Å; F207-I263 HydrophobicContact CG-CB 4.45Å; F207-I263 HydrophobicContact CG-CG1 4.49Å; F207-I263 HydrophobicContact CG-CG2 4.43Å; F207-I263 HydrophobicContact CZ-CD1 3.93Å; F207-I263 HydrophobicContact CZ-CG1 3.75Å; F207-V311 HydrophobicContact CE2-CG1 4.48Å; F207-M317 HydrophobicContact CE2-CE 4.02Å; F207-V330 HydrophobicContact CE1-CG1 3.76Å; F207-V330 HydrophobicContact CZ-CG1 3.63Å; F207-L334 HydrophobicContact CE1-CD1 3.84Å; F207-L334 HydrophobicContact CZ-CD1 4.22Å; F207-Y410 WeakPolarHBondContact CA-OH 3.35Å; F207-Y410 PolarHBondContact O-OH 2.71Å; F207-F414 HydrophobicContact CB-CD2 3.63Å; F207-F414 HydrophobicContact CB-CE2 3.83Å; F207-I417 HydrophobicContact CD1-CD1 3.51Å; F207-I417 HydrophobicContact CD2-CD1 4.1Å; F207-I417 HydrophobicContact CE1-CD1 3.3Å; F207-I417 HydrophobicContact CE2-CD1 3.94Å; F207-I417 HydrophobicContact CG-CD1 3.91Å; F207-I417 HydrophobicContact CZ-CD1 3.55Å |
| 208 | G | 85.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -120 | -12.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | M204 R220 F221 | M204-G208 VanDerWaalsContact O-CA 3.24Å; M204-G208 WeakPolarHBondContact O-CA 3.35Å; M204-G208 PolarHBondContact O-N 3.29Å; G208-R220 WeakPolarHBondContact O-CB 3.45Å; G208-R220 PolarHBondContact O-N 2.96Å; G208-F221 WeakPolarHBondContact O-CD1 3.44Å |
| 209 | N | 87.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 151.9 | 176.9 | -60.1 | 7 | 0 | 0 | 0 | 111.9 | E205 N217 S218 S219 Y261 H262 | E205-N209 WeakPolarHBondContact CG-ND2 3.16Å; E205-N209 WeakPolarHBondContact O-CA 3.35Å; E205-N209 WeakPolarHBondContact O-CB 3.46Å; E205-N209 PolarHBondContact O-N 2.8Å; N209-N217 WeakPolarHBondContact CB-OD1 3.07Å; N209-N217 PolarHBondContact ND2-OD1 3.47Å; N209-S218 VanDerWaalsContact CA-O 3.28Å; N209-S218 WeakPolarHBondContact CA-O 3.36Å; N209-S219 VanDerWaalsContact OD1-CA 3.29Å; N209-S219 WeakPolarHBondContact OD1-CA 3.44Å; N209-S219 PolarHBondContact OD1-OG 3.49Å; N209-Y261 WeakPolarHBondContact O-CA 3.45Å; N209-H262 PolarHBondContact O-CD2 2.81Å; N209-H262 VanDerWaalsContact O-CD2 3.26Å; N209-H262 PolarHBondContact O-N 3.25Å |
| 210 | A | 87.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 161.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S218 R220 Y261 | A210-S218 PolarHBondContact N-O 2.87Å; A210-S218 WeakPolarHBondContact O-CA 3.45Å; A210-S218 VanDerWaalsContact O-CB 3.25Å; A210-S218 WeakPolarHBondContact O-CB 3.39Å; A210-S218 PolarHBondContact O-N 3.43Å; A210-R220 HydrophobicContact CB-CG 4.23Å; A210-Y261 HydrophobicContact CB-CD1 4.44Å |
| 211 | K | 87 | Confident | 84.2 | Confident | 27 Ų | 27 | 19.8 Ų | 19.8 | 12% | 0.117 | 11% | 0.106 | C | C | . | . | trans | -75.5 | 126.2 | 171 | 169.3 | 176.1 | 166.4 | -176.2 | 0 | 110.2 | N216 E258 R259 C296 D299 I302 | K211-N216 WeakPolarHBondContact CA-O 3.22Å; K211-E258 WeakPolarHBondContact O-CA 3.27Å; K211-E258 WeakPolarHBondContact O-CB 3.45Å; K211-R259 HydrophobicContact CB-CB 3.99Å; K211-R259 HydrophobicContact CB-CG 4.05Å; K211-R259 HydrophobicContact CD-CG 4.13Å; K211-R259 HydrophobicContact CG-CG 4.47Å; K211-R259 PolarHBondContact O-N 3.48Å; K211-C296 PolarHBondContact NZ-SG 3.22Å; K211-D299 WeakPolarHBondContact CD-OD2 3.46Å; K211-D299 WeakPolarHBondContact CE-OD2 3.4Å; K211-D299 IonicContact NZ-OD2 3.96Å; K211-D299 PolarHBondContact NZ-OD2 3.3Å; K211-I302 HydrophobicContact CB-CD1 4.39Å | ||
| 212 | T | 83.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -114.7 | 172.5 | 167.7 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | Y214 N215 E258 | T212-Y214 PolarHBondContact O-N 2.86Å; T212-N215 PolarHBondContact N-O 3.06Å; T212-N215 PolarHBondContact O-N 3.43Å; T212-N215 PolarHBondContact OG1-N 2.91Å; T212-N215 PolarHBondContact OG1-O 3.03Å; T212-E258 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 213 | V | 82.1 | Confident | 83.7 | Confident | 80 Ų | 80 | 18.1 Ų | 18.1 | 49% | 0.485 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -54.6 | -40.9 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | E258 K672 | V213-E258 HydrophobicContact CG2-CG 4.35Å; V213-K672 VanDerWaalsContact O-CE 3.23Å; V213-K672 WeakPolarHBondContact O-CE 3.32Å; V213-K672 PolarHBondContact O-NZ 3.48Å |
| 214 | Y | 76.1 | Confident | 83.8 | Confident | 71 Ų | 71 | 18.5 Ų | 18.5 | 28% | 0.278 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -88.4 | -24.6 | -174.3 | -60.4 | -53.9 | 0 | 0 | 0 | 115.3 | T212 N444 F445 K672 | T212-Y214 PolarHBondContact O-N 2.86Å; Y214-N444 PolarHBondContact OH-O 3.23Å; Y214-F445 HydrophobicContact CD2-CD1 4.02Å; Y214-F445 AromaticContact CD2-CE1 3.4Å; Y214-F445 HydrophobicContact CD2-CE1 3.4Å; Y214-F445 VanDerWaalsContact CD2-CE1 3.4Å; Y214-F445 HydrophobicContact CD2-CZ 4.25Å; Y214-F445 AromaticContact CE2-CD1 3.42Å; Y214-F445 HydrophobicContact CE2-CD1 3.42Å; Y214-F445 VanDerWaalsContact CE2-CD1 3.42Å; Y214-F445 AromaticContact CE2-CE1 3.32Å; Y214-F445 HydrophobicContact CE2-CE1 3.32Å; Y214-F445 HydrophobicContact CE2-CZ 4.35Å; Y214-K672 WeakPolarHBondContact O-CE 3.42Å |
| 215 | N | 81.6 | Confident | 84 | Confident | 41 Ų | 41 | 18.5 Ų | 18.5 | 22% | 0.219 | 10% | 0.095 | C | C | . | . | trans | -148.5 | 132.3 | -176.9 | -178.4 | 9 | 0 | 0 | 0 | 111.2 | T212 N217 S218 | T212-N215 PolarHBondContact N-O 3.06Å; T212-N215 PolarHBondContact O-N 3.43Å; T212-N215 PolarHBondContact OG1-N 2.91Å; T212-N215 PolarHBondContact OG1-O 3.03Å; N215-N217 VanDerWaalsContact C-N 3.33Å; N215-N217 PolarHBondContact ND2-O 2.76Å; N215-N217 PolarHBondContact OD1-N 2.93Å; N215-S218 WeakPolarHBondContact ND2-CA 3.44Å | ||
| 216 | N | 83.6 | Confident | 84.2 | Confident | 32 Ų | 32 | 18.8 Ų | 18.8 | 17% | 0.171 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23.4 | -179.1 | -69.9 | 4 | 0 | 0 | 0 | 112.9 | K211 H262 T301 I302 K672 | K211-N216 WeakPolarHBondContact CA-O 3.22Å; N216-H262 PolarHBondContact O-CE1 3.36Å; N216-H262 VanDerWaalsContact O-CE1 3.3Å; N216-T301 PolarHBondContact ND2-OG1 2.7Å; N216-I302 HydrophobicContact CB-CD1 4.09Å; N216-I302 HydrophobicContact CB-CG1 4.43Å; N216-I302 WeakPolarHBondContact O-CD1 3.21Å; N216-K672 PolarHBondContact OD1-NZ 2.8Å |
| 217 | N | 83.8 | Confident | 84.5 | Confident | 47 Ų | 47 | 18.8 Ų | 18.8 | 25% | 0.251 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 63.4 | 176 | -171.5 | 21.7 | 0 | 0 | 0 | 109.2 | E205 N209 N215 H262 | E205-N217 PolarHBondContact OE2-ND2 3.22Å; N209-N217 WeakPolarHBondContact CB-OD1 3.07Å; N209-N217 PolarHBondContact ND2-OD1 3.47Å; N215-N217 VanDerWaalsContact C-N 3.33Å; N215-N217 PolarHBondContact ND2-O 2.76Å; N215-N217 PolarHBondContact OD1-N 2.93Å; N217-H262 PolarHBondContact OD1-NE2 3.23Å |
| 218 | S | 83 | Confident | 84.7 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.1 | -176.4 | -166.4 | 0 | 0 | 0 | 0 | 111 | N209 A210 N215 R220 | N209-S218 VanDerWaalsContact CA-O 3.28Å; N209-S218 WeakPolarHBondContact CA-O 3.36Å; A210-S218 PolarHBondContact N-O 2.87Å; A210-S218 WeakPolarHBondContact O-CA 3.45Å; A210-S218 VanDerWaalsContact O-CB 3.25Å; A210-S218 WeakPolarHBondContact O-CB 3.39Å; A210-S218 PolarHBondContact O-N 3.43Å; N215-S218 WeakPolarHBondContact ND2-CA 3.44Å; S218-R220 PolarHBondContact O-N 2.87Å |
| 219 | S | 82.2 | Confident | 84.9 | Confident | 13 Ų | 13 | 19 Ų | 19 | 9% | 0.091 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 122.6 | 169.6 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | T164 N209 | T164-S219 PolarHBondContact OG1-OG 2.97Å; N209-S219 VanDerWaalsContact OD1-CA 3.29Å; N209-S219 WeakPolarHBondContact OD1-CA 3.44Å; N209-S219 PolarHBondContact OD1-OG 3.49Å |
| 220 | R | 80.9 | Confident | 85 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | trans | -103.9 | 5.1 | 178.7 | -55.9 | -50.8 | -54.5 | 172.3 | 0.6 | 113.3 | G208 A210 S218 N247 Y261 E443 | G208-R220 WeakPolarHBondContact O-CB 3.45Å; G208-R220 PolarHBondContact O-N 2.96Å; A210-R220 HydrophobicContact CB-CG 4.23Å; S218-R220 PolarHBondContact O-N 2.87Å; R220-N247 PolarHBondContact NE-ND2 3.31Å; R220-N247 PolarHBondContact NH2-ND2 2.78Å; R220-Y261 HydrophobicContact CB-CE1 4.08Å; R220-Y261 HydrophobicContact CG-CE1 4.29Å; R220-E443 IonicContact CZ-OE1 3.08Å; R220-E443 IonicContact CZ-OE2 2.69Å; R220-E443 IonicContact NH1-OE1 2.66Å; R220-E443 PolarHBondContact NH1-OE1 2.64Å; R220-E443 IonicContact NH1-OE2 3.68Å; R220-E443 PolarHBondContact NH1-OE2 3.49Å; R220-E443 IonicContact NH2-OE2 3.81Å; R220-E443 PolarHBondContact NH2-OE2 2.88Å | ||
| 221 | F | 78.3 | Confident | 85 | Confident | 10 Ų | 10 | 27.2 Ų | 27.2 | 4% | 0.044 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.7 | 172.9 | 72.3 | -75 | 0 | 0 | 0 | 109.9 | M204 G208 K223 I244 L245 F414 | M204-F221 HydrophobicContact CB-CE1 4.5Å; M204-F221 HydrophobicContact CB-CZ 3.8Å; M204-F221 HydrophobicContact CG-CZ 4.42Å; M204-F221 HydrophobicContact SD-CE2 4.32Å; M204-F221 HydrophobicContact SD-CZ 4.39Å; G208-F221 WeakPolarHBondContact O-CD1 3.44Å; F221-K223 HydrophobicContact CE2-CB 3.9Å; F221-K223 HydrophobicContact CE2-CG 4.32Å; F221-I244 VanDerWaalsContact CA-O 3.25Å; F221-I244 WeakPolarHBondContact CA-O 3.35Å; F221-L245 HydrophobicContact CB-CD2 4.38Å; F221-F414 HydrophobicContact CD1-CZ 4.22Å; F221-F414 HydrophobicContact CD2-CE1 4.42Å; F221-F414 HydrophobicContact CD2-CZ 4.11Å; F221-F414 HydrophobicContact CE1-CZ 4.39Å; F221-F414 HydrophobicContact CE2-CZ 4.27Å; F221-F414 HydrophobicContact CG-CE1 4.41Å; F221-F414 HydrophobicContact CG-CZ 4.11Å; F221-F414 HydrophobicContact CZ-CZ 4.44Å |
| 222 | G | 77.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | D242 C243 I244 | G222-D242 WeakPolarHBondContact O-CA 3.44Å; G222-C243 PolarHBondContact O-N 2.96Å; G222-I244 PolarHBondContact N-O 3.41Å |
| 223 | K | 83.2 | Confident | 84.7 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.1 | -179 | -172.2 | -167 | -167.9 | -178 | 0 | 110.2 | S201 M204 F221 V225 I240 D438 | S201-K223 PolarHBondContact OG-NZ 2.66Å; M204-K223 HydrophobicContact CE-CD 4.42Å; M204-K223 HydrophobicContact SD-CD 4.42Å; F221-K223 HydrophobicContact CE2-CB 3.9Å; F221-K223 HydrophobicContact CE2-CG 4.32Å; K223-V225 HydrophobicContact CD-CG2 3.62Å; K223-V225 HydrophobicContact CG-CG2 3.67Å; K223-I240 HydrophobicContact CG-CG2 4.29Å; K223-D438 HydrophobicContact CB-CB 4.36Å; K223-D438 PolarHBondContact N-O 2.8Å; K223-D438 PolarHBondContact O-N 2.69Å |
| 224 | F | 88.6 | Confident | 84.9 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 109.5 | 168.1 | -179.2 | -109.1 | 0 | 0 | 0 | 109.4 | Q226 I240 V241 C243 S435 L437 L651 T654 L655 | F224-Q226 HydrophobicContact CE1-CB 4.49Å; F224-I240 WeakPolarHBondContact O-CA 3.44Å; F224-V241 HydrophobicContact CB-CB 4.33Å; F224-V241 HydrophobicContact CD1-CB 4.3Å; F224-V241 HydrophobicContact CD1-CG2 4.37Å; F224-V241 PolarHBondContact N-O 3.18Å; F224-V241 PolarHBondContact O-N 3Å; F224-C243 WeakPolarHBondContact CB-SG 3.41Å; F224-S435 VanDerWaalsContact CE2-CB 3.46Å; F224-S435 VanDerWaalsContact CZ-CB 3.42Å; F224-S435 WeakPolarHBondContact CZ-OG 3.47Å; F224-L437 HydrophobicContact CB-CD1 4.12Å; F224-L437 HydrophobicContact CD2-CB 4.17Å; F224-L437 HydrophobicContact CD2-CD1 3.87Å; F224-L437 HydrophobicContact CG-CD1 4.47Å; F224-L651 HydrophobicContact CB-CD1 4.35Å; F224-L651 HydrophobicContact CD1-CD1 4.29Å; F224-L651 HydrophobicContact CD2-CD1 3.65Å; F224-L651 HydrophobicContact CE1-CD1 4.47Å; F224-L651 HydrophobicContact CE2-CD1 3.84Å; F224-L651 HydrophobicContact CG-CD1 3.86Å; F224-L651 HydrophobicContact CZ-CD1 4.24Å; F224-T654 HydrophobicContact CE1-CG2 4.34Å; F224-T654 HydrophobicContact CZ-CG2 4.05Å; F224-L655 HydrophobicContact CE2-CD2 4.01Å |
| 225 | V | 90.8 | Very high | 85.5 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.5 | -179.4 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | L171 K223 L227 I240 S435 I436 | L171-V225 HydrophobicContact CD2-CG1 4.15Å; K223-V225 HydrophobicContact CD-CG2 3.62Å; K223-V225 HydrophobicContact CG-CG2 3.67Å; V225-L227 HydrophobicContact CG1-CD2 4.07Å; V225-L227 HydrophobicContact CG1-CG 4.44Å; V225-I240 HydrophobicContact CG1-CG1 4.38Å; V225-S435 CarbonylContact O-C 3.57Å; V225-S435 VanDerWaalsContact O-CA 3.27Å; V225-S435 WeakPolarHBondContact O-CA 3.24Å; V225-I436 PolarHBondContact N-O 3.45Å; V225-I436 PolarHBondContact O-N 2.8Å |
| 226 | Q | 91.7 | Very high | 85.7 | Confident | 36 Ų | 36 | 28.4 Ų | 28.4 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.8 | 172.9 | -168.6 | 175.1 | 8.5 | 0 | 0 | 109.3 | F224 H228 G238 R239 S433 | F224-Q226 HydrophobicContact CE1-CB 4.49Å; Q226-H228 WeakPolarHBondContact CG-NE2 2.95Å; Q226-G238 CarbonylContact O-C 3.56Å; Q226-G238 WeakPolarHBondContact O-CA 3.48Å; Q226-R239 HydrophobicContact CB-CB 4.41Å; Q226-R239 PolarHBondContact N-O 3.47Å; Q226-R239 PolarHBondContact O-N 3.26Å; Q226-S433 PolarHBondContact NE2-OG 3.21Å |
| 227 | L | 92.3 | Very high | 86 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.9 | 176.7 | -61.4 | -179.3 | 0 | 0 | 0 | 109.5 | L171 L174 L197 V225 F229 S433 I434 | L171-L227 HydrophobicContact CD2-CD1 3.89Å; L171-L227 HydrophobicContact CD2-CD2 4.37Å; L171-L227 HydrophobicContact CD2-CG 4.41Å; L174-L227 HydrophobicContact CB-CD1 4.35Å; L174-L227 HydrophobicContact CD1-CD1 3.79Å; L197-L227 HydrophobicContact CD1-CD2 3.58Å; L197-L227 HydrophobicContact CD2-CD2 3.89Å; L197-L227 HydrophobicContact CG-CD2 4.34Å; V225-L227 HydrophobicContact CG1-CD2 4.07Å; V225-L227 HydrophobicContact CG1-CG 4.44Å; L227-F229 HydrophobicContact CB-CE2 3.72Å; L227-F229 HydrophobicContact CB-CZ 4.26Å; L227-F229 HydrophobicContact CD1-CZ 4.44Å; L227-S433 CarbonylContact O-C 3.58Å; L227-S433 WeakPolarHBondContact O-CA 3.38Å; L227-S433 VanDerWaalsContact O-CB 3.3Å; L227-S433 WeakPolarHBondContact O-CB 3.35Å; L227-I434 PolarHBondContact N-O 2.94Å; L227-I434 PolarHBondContact O-N 3.13Å |
| 228 | H | 91.9 | Very high | 86.3 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 5% | 0.046 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.3 | -178.8 | -58.7 | 161.2 | 0 | 0 | 0 | 110 | Q226 I235 Q236 G237 E429 | Q226-H228 WeakPolarHBondContact CG-NE2 2.95Å; H228-I235 WeakPolarHBondContact O-CA 3.2Å; H228-Q236 PolarHBondContact O-N 3.26Å; H228-G237 PolarHBondContact N-O 3.24Å; H228-E429 VanDerWaalsContact CE1-CG 3.46Å; H228-E429 WeakPolarHBondContact CE1-CG 3.32Å; H228-E429 IonicContact CE1-OE1 3.68Å; H228-E429 PolarHBondContact CE1-OE1 2.81Å; H228-E429 VanDerWaalsContact ND1-CG 3.28Å; H228-E429 WeakPolarHBondContact ND1-CG 3.42Å; H228-E429 IonicContact ND1-OE1 2.79Å |
| 229 | F | 90.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 151.3 | -179.4 | -68.1 | -92.7 | 0 | 0 | 0 | 110.9 | Y141 L144 L227 N234 I235 F431 K432 I434 | Y141-F229 HydrophobicContact CD2-CD1 4.3Å; Y141-F229 AromaticContact CD2-CE1 3.84Å; Y141-F229 HydrophobicContact CD2-CE1 3.84Å; Y141-F229 HydrophobicContact CD2-CZ 4.25Å; Y141-F229 AromaticContact CE2-CD1 3.8Å; Y141-F229 HydrophobicContact CE2-CD1 3.8Å; Y141-F229 AromaticContact CE2-CE1 3.58Å; Y141-F229 HydrophobicContact CE2-CE1 3.58Å; Y141-F229 HydrophobicContact CE2-CZ 4.43Å; L144-F229 HydrophobicContact CD1-CB 4.16Å; L144-F229 HydrophobicContact CD1-CD1 4.44Å; L144-F229 HydrophobicContact CD1-CD2 3.79Å; L144-F229 HydrophobicContact CD1-CE2 4.32Å; L144-F229 HydrophobicContact CD1-CG 3.86Å; L227-F229 HydrophobicContact CB-CE2 3.72Å; L227-F229 HydrophobicContact CB-CZ 4.26Å; L227-F229 HydrophobicContact CD1-CZ 4.44Å; F229-N234 CarbonylContact C-O 3.55Å; F229-N234 WeakPolarHBondContact CA-O 3.49Å; F229-I235 HydrophobicContact CD1-CG1 3.96Å; F229-I235 HydrophobicContact CE1-CD1 4.18Å; F229-I235 HydrophobicContact CE1-CG1 3.4Å; F229-I235 VanDerWaalsContact CE1-CG1 3.4Å; F229-I235 HydrophobicContact CZ-CD1 4.28Å; F229-I235 HydrophobicContact CZ-CG1 3.78Å; F229-F431 WeakPolarHBondContact O-CB 3.46Å; F229-K432 PolarHBondContact N-O 3.07Å; F229-I434 HydrophobicContact CD2-CD1 4.3Å; F229-I434 HydrophobicContact CD2-CG1 4.1Å; F229-I434 HydrophobicContact CE2-CB 3.87Å; F229-I434 HydrophobicContact CE2-CD1 3.56Å; F229-I434 HydrophobicContact CE2-CG1 3.59Å; F229-I434 HydrophobicContact CZ-CD1 3.85Å; F229-I434 HydrophobicContact CZ-CG1 4.39Å |
| 230 | N | 89.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 30.7 Ų | 30.7 | 13% | 0.134 | 14% | 0.137 | C | C | . | . | trans | -87.8 | 170.2 | 164.6 | 70.2 | 19.3 | 0 | 0 | 0 | 111.4 | K232 G233 N234 Q236 | N230-K232 PolarHBondContact O-N 3.15Å; N230-K232 VanDerWaalsContact OD1-CA 3.32Å; N230-K232 WeakPolarHBondContact OD1-CA 3.25Å; N230-K232 WeakPolarHBondContact OD1-CB 3.46Å; N230-K232 PolarHBondContact OD1-N 3.12Å; N230-G233 PolarHBondContact O-N 2.97Å; N230-G233 VanDerWaalsContact O-N 3.09Å; N230-G233 PolarHBondContact OD1-N 3.01Å; N230-N234 PolarHBondContact N-O 3.22Å; N230-N234 PolarHBondContact OD1-N 3.18Å; N230-Q236 HydrophobicContact CB-CG 3.81Å | ||
| 231 | Q | 86.3 | Confident | 87 | Confident | 149 Ų | 149 | 32.5 Ų | 32.5 | 70% | 0.696 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.6 | 176.9 | -167.7 | 179.8 | 12.7 | 0 | 0 | 113.5 | W145 | W145-Q231 PolarHBondContact NE1-O 2.94Š|
| 232 | K | 83 | Confident | 86.7 | Confident | 172 Ų | 172 | 33.6 Ų | 33.6 | 75% | 0.748 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.5 | 178.2 | -61 | -179.5 | 179.6 | 177.5 | 0 | 113.2 | N230 | N230-K232 PolarHBondContact O-N 3.15Å; N230-K232 VanDerWaalsContact OD1-CA 3.32Å; N230-K232 WeakPolarHBondContact OD1-CA 3.25Å; N230-K232 WeakPolarHBondContact OD1-CB 3.46Å; N230-K232 PolarHBondContact OD1-N 3.12Å |
| 233 | G | 82.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 103.4 | 10.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y141 N230 | Y141-G233 WeakPolarHBondContact CE2-O 3.29Å; Y141-G233 VanDerWaalsContact OH-CA 3.24Å; Y141-G233 WeakPolarHBondContact OH-CA 3.42Å; Y141-G233 PolarHBondContact OH-O 3.49Å; N230-G233 PolarHBondContact O-N 2.97Å; N230-G233 VanDerWaalsContact O-N 3.09Å; N230-G233 PolarHBondContact OD1-N 3.01Å |
| 234 | N | 86.3 | Confident | 84.4 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | trans | -95.6 | 148.1 | -179.8 | -45.1 | -1.1 | 0 | 0 | 0 | 109.8 | S178 S181 L182 F229 N230 Q236 | S178-N234 WeakPolarHBondContact OG-CA 3.31Å; S181-N234 WeakPolarHBondContact CB-OD1 2.89Å; L182-N234 WeakPolarHBondContact CD2-ND2 3.35Å; L182-N234 HydrophobicContact CG-CB 4.48Å; L182-N234 WeakPolarHBondContact CG-ND2 3.31Å; F229-N234 CarbonylContact C-O 3.55Å; F229-N234 WeakPolarHBondContact CA-O 3.49Å; N230-N234 PolarHBondContact N-O 3.22Å; N230-N234 PolarHBondContact OD1-N 3.18Å; N234-Q236 PolarHBondContact O-N 2.89Å | ||
| 235 | I | 88.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 119.2 | 172.9 | -63.5 | 167.9 | 0 | 0 | 0 | 108 | S178 V193 E194 L197 H228 F229 | S178-I235 PolarHBondContact OG-N 2.9Å; V193-I235 HydrophobicContact CG1-CG2 4.48Å; E194-I235 HydrophobicContact CG-CB 4.37Å; E194-I235 HydrophobicContact CG-CD1 4.13Å; L197-I235 HydrophobicContact CD1-CG2 3.85Å; H228-I235 WeakPolarHBondContact O-CA 3.2Å; F229-I235 HydrophobicContact CD1-CG1 3.96Å; F229-I235 HydrophobicContact CE1-CD1 4.18Å; F229-I235 HydrophobicContact CE1-CG1 3.4Å; F229-I235 VanDerWaalsContact CE1-CG1 3.4Å; F229-I235 HydrophobicContact CZ-CD1 4.28Å; F229-I235 HydrophobicContact CZ-CG1 3.78Å |
| 236 | Q | 86.1 | Confident | 80.7 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -25.3 | 174.5 | -68.6 | -174.3 | -51.1 | 0 | 0 | 112.2 | H228 N230 N234 G427 K428 D430 | H228-Q236 PolarHBondContact O-N 3.26Å; N230-Q236 HydrophobicContact CB-CG 3.81Å; N234-Q236 PolarHBondContact O-N 2.89Å; Q236-G427 VanDerWaalsContact O-CA 3.31Å; Q236-G427 WeakPolarHBondContact O-CA 3.45Å; Q236-K428 PolarHBondContact OE1-O 3.1Å; Q236-D430 PolarHBondContact NE2-OD2 3.36Å; Q236-D430 PolarHBondContact OE1-OD2 2.62Å |
| 237 | G | 88.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | -175.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H228 I425 | H228-G237 PolarHBondContact N-O 3.24Å; G237-I425 CarbonylContact C-O 3.59Å; G237-I425 WeakPolarHBondContact CA-O 3.38Å |
| 238 | G | 89.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 180 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q226 I425 | Q226-G238 CarbonylContact O-C 3.56Å; Q226-G238 WeakPolarHBondContact O-CA 3.48Å; G238-I425 PolarHBondContact N-O 3.37Å; G238-I425 WeakPolarHBondContact O-CG1 3.28Å |
| 239 | R | 90.3 | Very high | 76.3 | Confident | 136 Ų | 136 | 37.8 Ų | 37.8 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.7 | 174.3 | -175.3 | 178.9 | -179.4 | 178.7 | -1.3 | 108.5 | Q226 V241 | Q226-R239 HydrophobicContact CB-CB 4.41Å; Q226-R239 PolarHBondContact N-O 3.47Å; Q226-R239 PolarHBondContact O-N 3.26Å; R239-V241 HydrophobicContact CG-CG2 4.11Å |
| 240 | I | 88.6 | Confident | 75.9 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.9 | 172.7 | -61.9 | 162.2 | 0 | 0 | 0 | 106.7 | M204 K223 F224 V225 N422 I425 | M204-I240 HydrophobicContact CE-CD1 3.72Å; M204-I240 HydrophobicContact SD-CD1 4.22Å; M204-I240 HydrophobicContact SD-CG2 3.84Å; K223-I240 HydrophobicContact CG-CG2 4.29Å; F224-I240 WeakPolarHBondContact O-CA 3.44Å; V225-I240 HydrophobicContact CG1-CG1 4.38Å; I240-N422 PolarHBondContact N-OD1 3.37Å; I240-N422 PolarHBondContact O-ND2 3.39Å; I240-N422 PolarHBondContact O-OD1 3.38Å; I240-I425 HydrophobicContact CD1-CD1 3.74Å; I240-I425 HydrophobicContact CG1-CD1 3.78Å |
| 241 | V | 81.3 | Confident | 75.8 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.1 | 173 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | F224 R239 C243 | F224-V241 HydrophobicContact CB-CB 4.33Å; F224-V241 HydrophobicContact CD1-CB 4.3Å; F224-V241 HydrophobicContact CD1-CG2 4.37Å; F224-V241 PolarHBondContact N-O 3.18Å; F224-V241 PolarHBondContact O-N 3Å; R239-V241 HydrophobicContact CG-CG2 4.11Å; V241-C243 PolarHBondContact O-N 2.95Å |
| 242 | D | 73.2 | Confident | 75.7 | Confident | 33 Ų | 33 | 30.3 Ų | 30.3 | 18% | 0.176 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 100.7 | 166.2 | 61.5 | -47 | 0 | 0 | 0 | 107.9 | G222 I244 L245 | G222-D242 WeakPolarHBondContact O-CA 3.44Å; D242-I244 VanDerWaalsContact C-N 3.34Å; D242-L245 VanDerWaalsContact OD2-CD1 3.31Å; D242-L245 WeakPolarHBondContact OD2-CD1 3.44Å |
| 243 | C | 56.9 | Low | 75.7 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -29.3 | -174.3 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | G222 F224 V241 S647 L651 | G222-C243 PolarHBondContact O-N 2.96Å; F224-C243 WeakPolarHBondContact CB-SG 3.41Å; V241-C243 PolarHBondContact O-N 2.95Å; C243-S647 PolarHBondContact O-OG 2.99Å; C243-L651 HydrophobicContact CB-CD2 4.18Å |
| 244 | I | 56 | Low | 75.8 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 99.1 | -172.4 | -47.5 | 171 | 0 | 0 | 0 | 109.3 | F221 G222 D242 S246 F440 A458 L644 L648 | F221-I244 VanDerWaalsContact CA-O 3.25Å; F221-I244 WeakPolarHBondContact CA-O 3.35Å; G222-I244 PolarHBondContact N-O 3.41Å; D242-I244 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 3.17Å; I244-F440 HydrophobicContact CB-CE1 3.64Å; I244-F440 HydrophobicContact CB-CZ 3.95Å; I244-F440 HydrophobicContact CD1-CE1 3.86Å; I244-F440 HydrophobicContact CD1-CE2 4.19Å; I244-F440 HydrophobicContact CD1-CZ 3.32Å; I244-F440 HydrophobicContact CG1-CE1 4.31Å; I244-F440 HydrophobicContact CG1-CZ 4.2Å; I244-F440 HydrophobicContact CG2-CE1 3.58Å; I244-F440 HydrophobicContact CG2-CZ 3.71Å; I244-A458 HydrophobicContact CD1-CB 3.53Å; I244-L644 HydrophobicContact CG2-CD1 3.96Å; I244-L648 HydrophobicContact CD1-CD2 3.84Å; I244-L648 HydrophobicContact CG1-CD2 4.45Å |
| 245 | L | 52 | Low | 75.7 | Confident | 52 Ų | 52 | 31 Ų | 31 | 27% | 0.272 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 91.3 | 163.6 | -95.2 | 154.3 | 0 | 0 | 0 | 108.3 | F221 D242 F414 N415 | F221-L245 HydrophobicContact CB-CD2 4.38Å; D242-L245 VanDerWaalsContact OD2-CD1 3.31Å; D242-L245 WeakPolarHBondContact OD2-CD1 3.44Å; L245-F414 HydrophobicContact CD1-CD1 3.76Å; L245-F414 HydrophobicContact CD1-CE1 4.11Å; L245-F414 HydrophobicContact CD2-CD1 3.66Å; L245-F414 HydrophobicContact CD2-CE1 3.8Å; L245-F414 HydrophobicContact CG-CD1 4.14Å; L245-F414 HydrophobicContact CG-CE1 4.15Å; L245-N415 VanDerWaalsContact CD1-OD1 3.3Å; L245-N415 WeakPolarHBondContact CD1-OD1 3.46Å |
| 246 | S | 48.5 | Very low | 75.4 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 12% | 0.119 | 18% | 0.179 | C | C | . | . | trans | -83 | -11.7 | -172.6 | 144.6 | 0 | 0 | 0 | 0 | 114 | I244 E451 | I244-S246 PolarHBondContact O-N 3.17Å; S246-E451 WeakPolarHBondContact O-CG 3.35Å | ||
| 247 | N | 54.6 | Low | 75.2 | Confident | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | trans | -149.8 | 55.7 | -162.7 | -59.3 | -68.8 | 0 | 0 | 0 | 115.8 | R220 N249 R250 Y261 E451 | R220-N247 PolarHBondContact NE-ND2 3.31Å; R220-N247 PolarHBondContact NH2-ND2 2.78Å; N247-N249 PolarHBondContact O-N 2.73Å; N247-R250 HydrophobicContact CB-CB 4.08Å; N247-R250 WeakPolarHBondContact O-CB 3.23Å; N247-R250 PolarHBondContact O-N 3.08Å; N247-R250 VanDerWaalsContact O-N 3.11Å; N247-Y261 PolarHBondContact O-OH 3.49Å; N247-E451 VanDerWaalsContact OD1-CB 3.23Å; N247-E451 WeakPolarHBondContact OD1-CB 3.5Å; N247-E451 VanDerWaalsContact OD1-CG 3.24Å; N247-E451 WeakPolarHBondContact OD1-CG 3.09Å | ||
| 248 | S | 59.5 | Low | 75.1 | Confident | 39 Ų | 39 | 35 Ų | 35 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.3 | 159.4 | 48 | 0 | 0 | 0 | 0 | 110.9 | R250 V251 M407 | S248-R250 PolarHBondContact O-N 2.87Å; S248-R250 VanDerWaalsContact O-N 3.15Å; S248-V251 VanDerWaalsContact O-CB 3.23Å; S248-V251 WeakPolarHBondContact O-CB 3.24Å; S248-V251 VanDerWaalsContact O-CG2 3.26Å; S248-V251 WeakPolarHBondContact O-CG2 3.38Å; S248-V251 PolarHBondContact O-N 3.23Å; S248-M407 WeakPolarHBondContact O-CG 3.24Å |
| 249 | N | 70.2 | Confident | 75.1 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -28.1 | 173.8 | -163.7 | 10.1 | 0 | 0 | 0 | 114.3 | N247 V251 V252 R253 M407 E451 K570 | N247-N249 PolarHBondContact O-N 2.73Å; N249-V251 PolarHBondContact O-N 3.43Å; N249-V251 VanDerWaalsContact O-N 3.16Å; N249-V252 VanDerWaalsContact O-CG2 3.23Å; N249-V252 WeakPolarHBondContact O-CG2 3.23Å; N249-V252 PolarHBondContact O-N 2.89Å; N249-V252 VanDerWaalsContact OD1-CG2 3.29Å; N249-V252 WeakPolarHBondContact OD1-CG2 3.26Å; N249-R253 PolarHBondContact O-N 3.04Å; N249-M407 WeakPolarHBondContact CA-SD 3.23Å; N249-M407 HydrophobicContact CB-SD 4.05Å; N249-E451 PolarHBondContact ND2-OE1 2.84Å; N249-K570 VanDerWaalsContact ND2-CE 3.29Å; N249-K570 WeakPolarHBondContact ND2-CE 3.48Å; N249-K570 PolarHBondContact ND2-NZ 2.75Å; N249-K570 VanDerWaalsContact ND2-NZ 3.18Å |
| 250 | R | 82 | Confident | 75.1 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 6% | 0.06 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -24.8 | 175.8 | -177.3 | 170.3 | -69.7 | -80.5 | -5.8 | 112.4 | N247 S248 V252 R253 Q254 E258 R259 N260 Y261 | N247-R250 HydrophobicContact CB-CB 4.08Å; N247-R250 WeakPolarHBondContact O-CB 3.23Å; N247-R250 PolarHBondContact O-N 3.08Å; N247-R250 VanDerWaalsContact O-N 3.11Å; S248-R250 PolarHBondContact O-N 2.87Å; S248-R250 VanDerWaalsContact O-N 3.15Å; R250-V252 VanDerWaalsContact C-N 3.26Å; R250-V252 PolarHBondContact O-N 3.16Å; R250-R253 WeakPolarHBondContact CA-O 3.4Å; R250-Q254 HydrophobicContact CG-CG 4.18Å; R250-Q254 PolarHBondContact O-NE2 3.3Å; R250-E258 IonicContact CZ-OE2 3.62Å; R250-E258 IonicContact NH1-OE2 3.68Å; R250-E258 PolarHBondContact NH1-OE2 3.01Å; R250-E258 IonicContact NH2-OE1 3.26Å; R250-E258 IonicContact NH2-OE2 3.37Å; R250-E258 PolarHBondContact NH2-OE2 3.43Å; R250-R259 PolarHBondContact NH1-O 3.04Å; R250-R259 VanDerWaalsContact NH1-O 3.07Å; R250-N260 PolarHBondContact O-OD1 2.98Å; R250-Y261 HydrophobicContact CB-CE2 4.09Å; R250-Y261 HydrophobicContact CG-CE2 4.38Å |
| 251 | V | 86.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | S248 N249 N260 Y261 F264 Y290 I337 Y410 | S248-V251 VanDerWaalsContact O-CB 3.23Å; S248-V251 WeakPolarHBondContact O-CB 3.24Å; S248-V251 VanDerWaalsContact O-CG2 3.26Å; S248-V251 WeakPolarHBondContact O-CG2 3.38Å; S248-V251 PolarHBondContact O-N 3.23Å; N249-V251 PolarHBondContact O-N 3.43Å; N249-V251 VanDerWaalsContact O-N 3.16Å; V251-N260 PolarHBondContact O-ND2 3.45Å; V251-Y261 HydrophobicContact CG2-CD2 4.09Å; V251-Y261 HydrophobicContact CG2-CE2 3.82Å; V251-F264 HydrophobicContact CG1-CE2 4.43Å; V251-F264 HydrophobicContact CG1-CZ 4.2Å; V251-Y290 WeakPolarHBondContact O-CB 3.44Å; V251-I337 HydrophobicContact CG1-CG2 3.68Å; V251-Y410 HydrophobicContact CG2-CD1 3.58Å; V251-Y410 HydrophobicContact CG2-CD2 3.99Å; V251-Y410 HydrophobicContact CG2-CE1 4.16Å; V251-Y410 HydrophobicContact CG2-CG 3.48Å; V251-Y410 VanDerWaalsContact CG2-CG 3.48Å |
| 252 | V | 85.8 | Confident | 75.6 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -100.6 | -30.6 | -171.6 | -60 | 0 | 0 | 0 | 0 | 113.1 | N249 R250 Y290 Q293 D403 A406 M407 | N249-V252 VanDerWaalsContact O-CG2 3.23Å; N249-V252 WeakPolarHBondContact O-CG2 3.23Å; N249-V252 PolarHBondContact O-N 2.89Å; N249-V252 VanDerWaalsContact OD1-CG2 3.29Å; N249-V252 WeakPolarHBondContact OD1-CG2 3.26Å; R250-V252 VanDerWaalsContact C-N 3.26Å; R250-V252 PolarHBondContact O-N 3.16Å; V252-Y290 HydrophobicContact CB-CD1 4.31Å; V252-Y290 HydrophobicContact CB-CE1 3.92Å; V252-Y290 HydrophobicContact CG1-CE1 3.88Å; V252-Y290 HydrophobicContact CG1-CE2 4.32Å; V252-Q293 PolarHBondContact O-NE2 3.3Å; V252-Q293 PolarHBondContact O-OE1 3.23Å; V252-D403 HydrophobicContact CB-CB 4.11Å; V252-D403 HydrophobicContact CG1-CB 3.9Å; V252-D403 HydrophobicContact CG2-CB 4.21Å; V252-A406 HydrophobicContact CG1-CB 3.94Å; V252-M407 HydrophobicContact CG1-CG 3.87Å; V252-M407 HydrophobicContact CG2-CG 4.04Å; V252-M407 HydrophobicContact CG2-SD 3.95Å |
| 253 | R | 81.9 | Confident | 76.3 | Confident | 132 Ų | 132 | 25.4 Ų | 25.4 | 50% | 0.498 | 14% | 0.142 | S | C | . | . | trans | -138.5 | 137.8 | -177.9 | -66.1 | -175.2 | -169.3 | 178.5 | 9.6 | 113.5 | N249 R250 Q293 D400 D403 | N249-R253 PolarHBondContact O-N 3.04Å; R250-R253 WeakPolarHBondContact CA-O 3.4Å; R253-Q293 VanDerWaalsContact CA-OE1 3.3Å; R253-D400 IonicContact NH2-OD1 3.59Å; R253-D403 IonicContact NE-OD2 3.15Å; R253-D403 IonicContact NH2-OD2 2.97Å | ||
| 254 | Q | 85.7 | Confident | 77.8 | Confident | 18 Ų | 18 | 25.3 Ų | 25.3 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | trans | -133.6 | 150.6 | 174.4 | -51.9 | 93 | 35.4 | 0 | 0 | 111.9 | R250 E258 N260 Y290 | R250-Q254 HydrophobicContact CG-CG 4.18Å; R250-Q254 PolarHBondContact O-NE2 3.3Å; Q254-E258 HydrophobicContact CB-CB 4.39Å; Q254-N260 PolarHBondContact NE2-ND2 3.27Å; Q254-Y290 PolarHBondContact NE2-O 3.27Å; Q254-Y290 PolarHBondContact OE1-O 3.14Å; Q254-Y290 VanDerWaalsContact OE1-O 3.12Å | ||
| 255 | N | 82.9 | Confident | 79.3 | Confident | 50 Ų | 50 | 25.1 Ų | 25.1 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | trans | -71.9 | 156.3 | 174 | -70 | -26.3 | 0 | 0 | 0 | 110.9 | G257 E258 | N255-G257 PolarHBondContact O-N 3.28Å; N255-E258 HydrophobicContact CB-CG 4.01Å; N255-E258 WeakPolarHBondContact O-CB 3.44Å; N255-E258 PolarHBondContact O-N 3Å; N255-E258 VanDerWaalsContact O-N 3.11Å | ||
| 256 | P | 83.4 | Confident | 80.9 | Confident | 107 Ų | 107 | 22.7 Ų | 22.7 | 70% | 0.695 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133 | 175.8 | -25.4 | 34.8 | 0 | 0 | 0 | 112.1 | E258 | P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 PolarHBondContact O-N 3.34Å |
| 257 | G | 82.7 | Confident | 82.6 | Confident | 34 Ų | 34 | 22.3 Ų | 22.3 | 35% | 0.351 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -3.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N255 S294 | N255-G257 PolarHBondContact O-N 3.28Å; G257-S294 PolarHBondContact N-O 3.11Å |
| 258 | E | 86.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -90.9 | 170.7 | 172.9 | -57.3 | -161.3 | 142.1 | 0 | 0 | 112.5 | K211 T212 V213 R250 Q254 N255 P256 S294 | K211-E258 WeakPolarHBondContact O-CA 3.27Å; K211-E258 WeakPolarHBondContact O-CB 3.45Å; T212-E258 WeakPolarHBondContact CB-OE1 3.44Å; V213-E258 HydrophobicContact CG2-CG 4.35Å; R250-E258 IonicContact CZ-OE2 3.62Å; R250-E258 IonicContact NH1-OE2 3.68Å; R250-E258 PolarHBondContact NH1-OE2 3.01Å; R250-E258 IonicContact NH2-OE1 3.26Å; R250-E258 IonicContact NH2-OE2 3.37Å; R250-E258 PolarHBondContact NH2-OE2 3.43Å; Q254-E258 HydrophobicContact CB-CB 4.39Å; N255-E258 HydrophobicContact CB-CG 4.01Å; N255-E258 WeakPolarHBondContact O-CB 3.44Å; N255-E258 PolarHBondContact O-N 3Å; N255-E258 VanDerWaalsContact O-N 3.11Å; P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 PolarHBondContact O-N 3.34Å; E258-S294 WeakPolarHBondContact O-CB 3.49Å; E258-S294 PolarHBondContact O-OG 3.26Å | ||
| 259 | R | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -119.3 | 164.1 | 169.2 | -64.2 | -159.5 | -59.8 | 164.9 | 7.3 | 111.7 | K211 R250 H262 Y265 C296 D304 | K211-R259 HydrophobicContact CB-CB 3.99Å; K211-R259 HydrophobicContact CB-CG 4.05Å; K211-R259 HydrophobicContact CD-CG 4.13Å; K211-R259 HydrophobicContact CG-CG 4.47Å; K211-R259 PolarHBondContact O-N 3.48Å; R250-R259 PolarHBondContact NH1-O 3.04Å; R250-R259 VanDerWaalsContact NH1-O 3.07Å; R259-H262 PolarHBondContact NH2-ND1 3.15Å; R259-Y265 HydrophobicContact CB-CE2 3.75Å; R259-Y265 HydrophobicContact CG-CE2 4.4Å; R259-C296 WeakPolarHBondContact CG-O 3.35Å; R259-D304 IonicContact CZ-OD1 3.22Å; R259-D304 IonicContact CZ-OD2 2.75Å; R259-D304 IonicContact NH1-OD1 3.88Å; R259-D304 PolarHBondContact NH1-OD1 3.41Å; R259-D304 IonicContact NH1-OD2 3.44Å; R259-D304 PolarHBondContact NH1-OD2 2.58Å; R259-D304 IonicContact NH2-OD1 2.77Å; R259-D304 PolarHBondContact NH2-OD1 3.34Å; R259-D304 VanDerWaalsContact NH2-OD1 3.1Å; R259-D304 IonicContact NH2-OD2 3.11Å | ||
| 260 | N | 90.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -70.5 | -178.4 | 162.6 | -150.1 | -30.2 | 0 | 0 | 0 | 110.3 | R250 V251 Q254 F264 Y265 Y290 L291 | R250-N260 PolarHBondContact O-OD1 2.98Å; V251-N260 PolarHBondContact O-ND2 3.45Å; Q254-N260 PolarHBondContact NE2-ND2 3.27Å; N260-F264 HydrophobicContact CB-CD2 4.28Å; N260-Y265 HydrophobicContact CB-CE2 3.9Å; N260-Y265 PolarHBondContact N-OH 3.23Å; N260-Y265 VanDerWaalsContact N-OH 3.15Å; N260-Y290 PolarHBondContact ND2-O 3.18Å; N260-L291 HydrophobicContact CB-CD2 3.63Å | ||
| 261 | Y | 90.4 | Very high | 83.9 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 143.9 | 177.6 | -66.7 | -73.3 | 0 | 0 | 0 | 112.4 | F207 N209 A210 R220 N247 R250 V251 I263 F264 Y265 Y410 | F207-Y261 VanDerWaalsContact O-CD1 3.27Å; F207-Y261 WeakPolarHBondContact O-CD1 3.35Å; N209-Y261 WeakPolarHBondContact O-CA 3.45Å; A210-Y261 HydrophobicContact CB-CD1 4.44Å; R220-Y261 HydrophobicContact CB-CE1 4.08Å; R220-Y261 HydrophobicContact CG-CE1 4.29Å; N247-Y261 PolarHBondContact O-OH 3.49Å; R250-Y261 HydrophobicContact CB-CE2 4.09Å; R250-Y261 HydrophobicContact CG-CE2 4.38Å; V251-Y261 HydrophobicContact CG2-CD2 4.09Å; V251-Y261 HydrophobicContact CG2-CE2 3.82Å; Y261-I263 PolarHBondContact O-N 3.48Å; Y261-I263 VanDerWaalsContact O-N 3.16Å; Y261-F264 HydrophobicContact CD2-CE2 4.34Å; Y261-F264 PolarHBondContact O-N 3.05Å; Y261-Y265 WeakPolarHBondContact O-CD2 3.28Å; Y261-Y410 WeakPolarHBondContact CB-OH 3.43Å; Y261-Y410 AromaticContact CD2-CE1 3.65Å; Y261-Y410 HydrophobicContact CD2-CE1 3.65Å; Y261-Y410 HydrophobicContact CD2-CE2 4.31Å; Y261-Y410 AromaticContact CD2-CZ 3.52Å; Y261-Y410 WeakPolarHBondContact CD2-OH 3.48Å; Y261-Y410 HydrophobicContact CE2-CD1 4.25Å; Y261-Y410 AromaticContact CE2-CE1 3.6Å; Y261-Y410 HydrophobicContact CE2-CE1 3.6Å; Y261-Y410 HydrophobicContact CG-CE1 4.26Å; Y261-Y410 AromaticContact CG-CZ 3.9Å; Y261-Y410 VanDerWaalsContact CG-OH 3.24Å |
| 262 | H | 89.1 | Confident | 82.8 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.2 | -33.8 | -175.2 | -65.9 | -48.1 | 0 | 0 | 0 | 112.9 | A206 N209 N216 N217 R259 F264 Y265 A266 | A206-H262 PolarHBondContact O-N 3.07Å; N209-H262 PolarHBondContact O-CD2 2.81Å; N209-H262 VanDerWaalsContact O-CD2 3.26Å; N209-H262 PolarHBondContact O-N 3.25Å; N216-H262 PolarHBondContact O-CE1 3.36Å; N216-H262 VanDerWaalsContact O-CE1 3.3Å; N217-H262 PolarHBondContact OD1-NE2 3.23Å; R259-H262 PolarHBondContact NH2-ND1 3.15Å; H262-F264 VanDerWaalsContact C-N 3.26Å; H262-F264 PolarHBondContact O-N 3.15Å; H262-Y265 PolarHBondContact O-N 3.11Å; H262-Y265 VanDerWaalsContact O-N 3.16Å; H262-A266 VanDerWaalsContact O-CB 3.31Å; H262-A266 WeakPolarHBondContact O-CB 3.47Å; H262-A266 PolarHBondContact O-N 3.41Å |
| 263 | I | 87.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.8 | -35.5 | -179.2 | -168 | 62.1 | 0 | 0 | 0 | 113.3 | A206 F207 Y261 I267 V311 L312 L334 Y410 | A206-I263 HydrophobicContact CB-CB 4.47Å; A206-I263 HydrophobicContact CB-CD1 4.38Å; A206-I263 WeakPolarHBondContact O-CB 3.42Å; A206-I263 PolarHBondContact O-N 3.3Å; F207-I263 HydrophobicContact CD1-CG1 4.34Å; F207-I263 HydrophobicContact CD1-CG2 4.2Å; F207-I263 HydrophobicContact CD2-CB 4.48Å; F207-I263 HydrophobicContact CD2-CD1 4.36Å; F207-I263 HydrophobicContact CD2-CG1 4.28Å; F207-I263 HydrophobicContact CE1-CG1 3.99Å; F207-I263 HydrophobicContact CE2-CD1 3.77Å; F207-I263 HydrophobicContact CE2-CG1 3.91Å; F207-I263 HydrophobicContact CG-CB 4.45Å; F207-I263 HydrophobicContact CG-CG1 4.49Å; F207-I263 HydrophobicContact CG-CG2 4.43Å; F207-I263 HydrophobicContact CZ-CD1 3.93Å; F207-I263 HydrophobicContact CZ-CG1 3.75Å; Y261-I263 PolarHBondContact O-N 3.48Å; Y261-I263 VanDerWaalsContact O-N 3.16Å; I263-I267 HydrophobicContact CD1-CD1 4.2Å; I263-I267 HydrophobicContact CD1-CG1 4.17Å; I263-I267 HydrophobicContact CG1-CD1 3.82Å; I263-I267 HydrophobicContact CG1-CG1 4.25Å; I263-I267 VanDerWaalsContact O-CB 3.29Å; I263-I267 WeakPolarHBondContact O-CB 3.22Å; I263-I267 WeakPolarHBondContact O-CD1 3.39Å; I263-I267 WeakPolarHBondContact O-CG1 3.39Å; I263-I267 PolarHBondContact O-N 3.04Å; I263-V311 HydrophobicContact CD1-CG1 4.34Å; I263-L312 HydrophobicContact CD1-CD1 3.89Å; I263-L334 HydrophobicContact CG1-CD1 3.68Å; I263-L334 HydrophobicContact CG2-CD1 4.39Å; I263-Y410 HydrophobicContact CG2-CE2 4.36Å |
| 264 | F | 89.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 179.2 | -68 | -65.9 | 0 | 0 | 0 | 111.8 | V251 N260 Y261 H262 L268 L291 L334 I337 L338 Y410 | V251-F264 HydrophobicContact CG1-CE2 4.43Å; V251-F264 HydrophobicContact CG1-CZ 4.2Å; N260-F264 HydrophobicContact CB-CD2 4.28Å; Y261-F264 HydrophobicContact CD2-CE2 4.34Å; Y261-F264 PolarHBondContact O-N 3.05Å; H262-F264 VanDerWaalsContact C-N 3.26Å; H262-F264 PolarHBondContact O-N 3.15Å; F264-L268 VanDerWaalsContact O-CG 3.26Å; F264-L268 WeakPolarHBondContact O-CG 3.33Å; F264-L268 PolarHBondContact O-N 3.12Å; F264-L268 VanDerWaalsContact O-N 3.1Å; F264-L291 HydrophobicContact CB-CD1 4.4Å; F264-L291 HydrophobicContact CB-CD2 3.84Å; F264-L291 HydrophobicContact CG-CD2 4.29Å; F264-L334 HydrophobicContact CE1-CB 4.27Å; F264-L334 HydrophobicContact CE1-CD2 3.84Å; F264-L334 HydrophobicContact CZ-CD2 4.08Å; F264-I337 HydrophobicContact CE1-CG2 4.37Å; F264-I337 HydrophobicContact CZ-CG2 4.22Å; F264-L338 HydrophobicContact CD1-CD1 4.02Å; F264-L338 HydrophobicContact CD1-CD2 3.65Å; F264-L338 HydrophobicContact CD1-CG 3.79Å; F264-L338 HydrophobicContact CE1-CD2 4.01Å; F264-L338 HydrophobicContact CE1-CG 4.06Å; F264-L338 HydrophobicContact CG-CD2 4.23Å; F264-Y410 HydrophobicContact CE2-CD2 4.2Å; F264-Y410 AromaticContact CE2-CE2 3.74Å; F264-Y410 HydrophobicContact CE2-CE2 3.74Å; F264-Y410 AromaticContact CZ-CD2 3.75Å; F264-Y410 HydrophobicContact CZ-CD2 3.75Å; F264-Y410 AromaticContact CZ-CE2 3.64Å; F264-Y410 HydrophobicContact CZ-CE2 3.64Å |
| 265 | Y | 88.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73 | -41.1 | 177.3 | -56.3 | -87.2 | 0 | 0 | 0 | 111.4 | R259 N260 Y261 H262 I267 L268 A269 L291 | R259-Y265 HydrophobicContact CB-CE2 3.75Å; R259-Y265 HydrophobicContact CG-CE2 4.4Å; N260-Y265 HydrophobicContact CB-CE2 3.9Å; N260-Y265 PolarHBondContact N-OH 3.23Å; N260-Y265 VanDerWaalsContact N-OH 3.15Å; Y261-Y265 WeakPolarHBondContact O-CD2 3.28Å; H262-Y265 PolarHBondContact O-N 3.11Å; H262-Y265 VanDerWaalsContact O-N 3.16Å; Y265-I267 VanDerWaalsContact C-N 3.33Å; Y265-I267 PolarHBondContact O-N 3.27Å; Y265-L268 CarbonylContact O-C 3.43Å; Y265-L268 PolarHBondContact O-N 2.91Å; Y265-L268 VanDerWaalsContact O-N 3.14Å; Y265-A269 WeakPolarHBondContact O-CB 3.43Å; Y265-A269 PolarHBondContact O-N 3.28Å; Y265-L291 HydrophobicContact CE1-CD2 4.46Å; Y265-L291 HydrophobicContact CE2-CD2 4.28Å |
| 266 | A | 85.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | H262 A269 G270 D304 T307 F308 | H262-A266 VanDerWaalsContact O-CB 3.31Å; H262-A266 WeakPolarHBondContact O-CB 3.47Å; H262-A266 PolarHBondContact O-N 3.41Å; A266-A269 PolarHBondContact O-N 2.95Å; A266-G270 PolarHBondContact O-N 3.43Å; A266-D304 WeakPolarHBondContact CA-O 3.44Å; A266-T307 HydrophobicContact CB-CG2 4.06Å; A266-F308 HydrophobicContact CB-CB 4.2Å; A266-F308 WeakPolarHBondContact O-CB 3.47Å; A266-F308 WeakPolarHBondContact O-CD2 3.49Å |
| 267 | I | 83.4 | Confident | 75.8 | Confident | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.1 | -65.2 | 170.5 | -71.6 | 167.5 | 0 | 0 | 0 | 106.8 | I263 Y265 A269 G270 R276 L282 L312 L331 L334 | I263-I267 HydrophobicContact CD1-CD1 4.2Å; I263-I267 HydrophobicContact CD1-CG1 4.17Å; I263-I267 HydrophobicContact CG1-CD1 3.82Å; I263-I267 HydrophobicContact CG1-CG1 4.25Å; I263-I267 VanDerWaalsContact O-CB 3.29Å; I263-I267 WeakPolarHBondContact O-CB 3.22Å; I263-I267 WeakPolarHBondContact O-CD1 3.39Å; I263-I267 WeakPolarHBondContact O-CG1 3.39Å; I263-I267 PolarHBondContact O-N 3.04Å; Y265-I267 VanDerWaalsContact C-N 3.33Å; Y265-I267 PolarHBondContact O-N 3.27Å; I267-A269 PolarHBondContact O-N 3.26Å; I267-A269 VanDerWaalsContact O-N 3.1Å; I267-G270 PolarHBondContact O-N 3.43Å; I267-R276 PolarHBondContact O-NH1 2.93Å; I267-R276 PolarHBondContact O-NH2 3.26Å; I267-L282 HydrophobicContact CG2-CD1 3.81Å; I267-L312 HydrophobicContact CG1-CD1 4.09Å; I267-L331 HydrophobicContact CD1-CD2 3.44Å; I267-L331 VanDerWaalsContact CD1-CD2 3.44Å; I267-L331 HydrophobicContact CG1-CD2 3.55Å; I267-L334 HydrophobicContact CD1-CB 4.02Å; I267-L334 HydrophobicContact CD1-CD1 3.34Å; I267-L334 HydrophobicContact CD1-CG 4.34Å |
| 268 | L | 82.4 | Confident | 74.5 | Confident | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.2 | -29.2 | -176.1 | -68.2 | 174.8 | 0 | 0 | 0 | 115.9 | F264 Y265 R276 L282 P285 Y288 L291 | F264-L268 VanDerWaalsContact O-CG 3.26Å; F264-L268 WeakPolarHBondContact O-CG 3.33Å; F264-L268 PolarHBondContact O-N 3.12Å; F264-L268 VanDerWaalsContact O-N 3.1Å; Y265-L268 CarbonylContact O-C 3.43Å; Y265-L268 PolarHBondContact O-N 2.91Å; Y265-L268 VanDerWaalsContact O-N 3.14Å; L268-R276 VanDerWaalsContact N-NH2 3.13Å; L268-R276 PolarHBondContact O-NH1 3.26Å; L268-L282 HydrophobicContact CD2-CB 4.22Å; L268-L282 HydrophobicContact CD2-CD1 4.47Å; L268-L282 HydrophobicContact CD2-CD2 4.42Å; L268-P285 HydrophobicContact CD1-CB 3.76Å; L268-Y288 HydrophobicContact CD1-CD2 4.39Å; L268-Y288 HydrophobicContact CD2-CE2 4.15Å; L268-L291 HydrophobicContact CD1-CD1 3.43Å; L268-L291 VanDerWaalsContact CD1-CD1 3.43Å |
| 269 | A | 79.3 | Confident | 73.3 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 45% | 0.446 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -87.7 | -35.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y265 A266 I267 D304 | Y265-A269 WeakPolarHBondContact O-CB 3.43Å; Y265-A269 PolarHBondContact O-N 3.28Å; A266-A269 PolarHBondContact O-N 2.95Å; I267-A269 PolarHBondContact O-N 3.26Å; I267-A269 VanDerWaalsContact O-N 3.1Å; A269-D304 HydrophobicContact CB-CB 3.83Å |
| 270 | G | 68.8 | Low | 72.6 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -100 | -21.6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 118 | A266 I267 F308 | A266-G270 PolarHBondContact O-N 3.43Å; I267-G270 PolarHBondContact O-N 3.43Å; G270-F308 WeakPolarHBondContact O-CE1 3.4Å |
| 271 | A | 63.2 | Low | 71.8 | Confident | 27 Ų | 27 | 49 Ų | 49 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -81 | 150.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N273 R276 F308 | A271-N273 PolarHBondContact O-N 3.47Å; A271-R276 VanDerWaalsContact C-CD 3.46Å; A271-R276 HydrophobicContact CB-CG 3.36Å; A271-R276 WeakPolarHBondContact O-CD 3.34Å; A271-R276 PolarHBondContact O-NH1 3.12Å; A271-F308 HydrophobicContact CB-CE2 4.19Å; A271-F308 HydrophobicContact CB-CZ 3.81Å |
| 272 | N | 63.8 | Low | 71.4 | Confident | 111 Ų | 111 | 49.2 Ų | 49.2 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | trans | -61 | 129.3 | 179.3 | -71.6 | -25.8 | 0 | 0 | 0 | 111.7 | Q274 Q275 R276 | N272-Q274 PolarHBondContact O-N 2.7Å; N272-Q275 PolarHBondContact ND2-OE1 3.25Å; N272-Q275 PolarHBondContact O-N 2.93Å; N272-R276 VanDerWaalsContact O-CG 3.29Å; N272-R276 WeakPolarHBondContact O-CG 3.29Å; N272-R276 PolarHBondContact O-N 3.4Å | ||
| 273 | N | 55.5 | Low | 71 | Confident | 147 Ų | 147 | 53 Ų | 53 | 79% | 0.786 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -51.3 | -33.3 | -175.4 | -72.9 | -24.4 | 0 | 0 | 0 | 114.2 | A271 | A271-N273 PolarHBondContact O-N 3.47Å |
| 274 | Q | 49.1 | Very low | 70.8 | Confident | 153 Ų | 153 | 62.1 Ų | 62.1 | 72% | 0.715 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -78 | -45.7 | -177.8 | -128 | 166.3 | -11.7 | 0 | 0 | 113 | N272 R276 E278 | N272-Q274 PolarHBondContact O-N 2.7Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3.43Å; Q274-E278 PolarHBondContact O-N 3.26Å |
| 275 | Q | 54 | Low | 70.5 | Confident | 133 Ų | 133 | 63.4 Ų | 63.4 | 62% | 0.621 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.9 | -23.7 | 179.9 | -72.8 | 175.5 | -36.7 | 0 | 0 | 113.2 | N272 A279 | N272-Q275 PolarHBondContact ND2-OE1 3.25Å; N272-Q275 PolarHBondContact O-N 2.93Å; Q275-A279 WeakPolarHBondContact O-CB 3.21Å; Q275-A279 PolarHBondContact O-N 3.42Å |
| 276 | R | 59.4 | Low | 70.3 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 5% | 0.045 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -85.2 | -41.7 | -177.6 | -66.5 | 171.3 | 80.3 | 124.5 | 29.9 | 115 | I267 L268 A271 N272 Q274 E278 F280 G281 L282 | I267-R276 PolarHBondContact O-NH1 2.93Å; I267-R276 PolarHBondContact O-NH2 3.26Å; L268-R276 VanDerWaalsContact N-NH2 3.13Å; L268-R276 PolarHBondContact O-NH1 3.26Å; A271-R276 VanDerWaalsContact C-CD 3.46Å; A271-R276 HydrophobicContact CB-CG 3.36Å; A271-R276 WeakPolarHBondContact O-CD 3.34Å; A271-R276 PolarHBondContact O-NH1 3.12Å; N272-R276 VanDerWaalsContact O-CG 3.29Å; N272-R276 WeakPolarHBondContact O-CG 3.29Å; N272-R276 PolarHBondContact O-N 3.4Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3.43Å; R276-E278 VanDerWaalsContact C-N 3.33Å; R276-F280 PolarHBondContact O-N 2.92Å; R276-F280 VanDerWaalsContact O-N 3.13Å; R276-G281 PolarHBondContact O-N 2.84Å; R276-L282 PolarHBondContact O-N 2.99Å |
| 277 | A | 53.7 | Low | 70.4 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.1 | -39.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 278 | E | 55.7 | Low | 70.6 | Confident | 158 Ų | 158 | 68.8 Ų | 68.8 | 74% | 0.738 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -79.3 | -35.2 | -178.9 | -68.8 | 176.6 | -179.2 | 0 | 0 | 113.6 | Q274 R276 | Q274-E278 PolarHBondContact O-N 3.26Å; R276-E278 VanDerWaalsContact C-N 3.33Å |
| 279 | A | 62.8 | Low | 71 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 49% | 0.488 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -98 | -26.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q275 | Q275-A279 WeakPolarHBondContact O-CB 3.21Å; Q275-A279 PolarHBondContact O-N 3.42Å |
| 280 | F | 72.5 | Confident | 71.5 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -131.2 | -2.4 | -174 | -58 | -56.6 | 0 | 0 | 0 | 114.4 | R276 L282 R328 L331 R332 A335 H339 L365 | R276-F280 PolarHBondContact O-N 2.92Å; R276-F280 VanDerWaalsContact O-N 3.13Å; F280-L282 HydrophobicContact CB-CD1 4.19Å; F280-L282 HydrophobicContact CB-CG 3.95Å; F280-L282 PolarHBondContact O-N 3.46Å; F280-R328 HydrophobicContact CZ-CG 4.05Å; F280-L331 HydrophobicContact CE2-CB 4.48Å; F280-L331 HydrophobicContact CZ-CB 4.36Å; F280-R332 HydrophobicContact CD1-CB 4.38Å; F280-R332 HydrophobicContact CE1-CB 3.78Å; F280-R332 HydrophobicContact CE1-CG 4.18Å; F280-A335 HydrophobicContact CB-CB 4.08Å; F280-H339 PolarHBondContact O-NE2 3.34Å; F280-H339 VanDerWaalsContact O-NE2 3.16Å; F280-L365 HydrophobicContact CD1-CD2 3.95Å |
| 281 | G | 74.9 | Confident | 72.5 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | trans | 59.1 | 30.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R276 Y288 H339 | R276-G281 PolarHBondContact O-N 2.84Å; G281-Y288 PolarHBondContact O-OH 3Å; G281-H339 PolarHBondContact O-CE1 3.38Å; G281-H339 VanDerWaalsContact O-CE1 3.26Å; G281-H339 PolarHBondContact O-NE2 3.39Å | ||
| 282 | L | 81.4 | Confident | 73.6 | Confident | 11 Ų | 11 | 75.4 Ų | 75.4 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | trans | -85.1 | 133 | -177 | -68.8 | 178.7 | 0 | 0 | 0 | 112.2 | I267 L268 R276 F280 Y288 A335 L338 | I267-L282 HydrophobicContact CG2-CD1 3.81Å; L268-L282 HydrophobicContact CD2-CB 4.22Å; L268-L282 HydrophobicContact CD2-CD1 4.47Å; L268-L282 HydrophobicContact CD2-CD2 4.42Å; R276-L282 PolarHBondContact O-N 2.99Å; F280-L282 HydrophobicContact CB-CD1 4.19Å; F280-L282 HydrophobicContact CB-CG 3.95Å; F280-L282 PolarHBondContact O-N 3.46Å; L282-Y288 VanDerWaalsContact CA-OH 3.28Å; L282-Y288 WeakPolarHBondContact CA-OH 2.7Å; L282-Y288 HydrophobicContact CD2-CE2 4.36Å; L282-Y288 WeakPolarHBondContact CD2-OH 3.44Å; L282-A335 HydrophobicContact CD1-CB 4.21Å; L282-A335 HydrophobicContact CD2-CB 3.94Å; L282-A335 HydrophobicContact CG-CB 4.2Å; L282-L338 HydrophobicContact CD2-CD1 4.13Å | ||
| 283 | T | 81.9 | Confident | 74.5 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 53% | 0.534 | 37% | 0.369 | S | S | . | . | trans | -118.5 | -129 | 176.6 | 71 | 0 | 0 | 0 | 0 | 112.5 | S287 Y288 | T283-S287 WeakPolarHBondContact OG1-CB 3.38Å; T283-S287 PolarHBondContact OG1-OG 2.95Å; T283-Y288 PolarHBondContact N-OH 2.74Å | ||
| 284 | R | 82.3 | Confident | 75.6 | Confident | 193 Ų | 193 | 66.4 Ų | 66.4 | 73% | 0.728 | 33% | 0.331 | S | S | * | . | trans | -93.1 | 153.9 | -178.5 | -67.2 | -171.6 | 178.4 | 172.4 | -0.2 | 111.3 | E286 S287 Y288 | R284-E286 WeakPolarHBondContact CB-OE2 3.36Å; R284-E286 PolarHBondContact O-N 3.46Å; R284-E286 VanDerWaalsContact O-N 3.14Å; R284-S287 PolarHBondContact O-N 3.33Å; R284-S287 PolarHBondContact O-OG 3.47Å; R284-Y288 WeakPolarHBondContact O-CD2 3.21Å | ||
| 285 | P | 82.9 | Confident | 76.8 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -57.9 | -29.9 | 179.4 | 21 | -30.7 | 0 | 0 | 0 | 113.4 | L268 S287 Y288 L291 T297 | L268-P285 HydrophobicContact CD1-CB 3.76Å; P285-S287 PolarHBondContact O-N 3.37Å; P285-Y288 PolarHBondContact O-N 3.01Å; P285-L291 HydrophobicContact CB-CD1 4.2Å; P285-T297 HydrophobicContact CB-CG2 4.38Å |
| 286 | E | 84.9 | Confident | 77.8 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -67.2 | -19 | 178.9 | -61 | 72 | -152.7 | 0 | 0 | 113.6 | R284 Y288 R292 T297 | R284-E286 WeakPolarHBondContact CB-OE2 3.36Å; R284-E286 PolarHBondContact O-N 3.46Å; R284-E286 VanDerWaalsContact O-N 3.14Å; E286-Y288 VanDerWaalsContact C-N 3.27Å; E286-Y288 PolarHBondContact O-N 3.48Å; E286-R292 WeakPolarHBondContact O-CD 3.45Å; E286-T297 HydrophobicContact CG-CG2 4.23Å; E286-T297 WeakPolarHBondContact OE1-CB 3.13Å; E286-T297 PolarHBondContact OE1-OG1 3.06Å |
| 287 | S | 85.8 | Confident | 78.1 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -78.3 | -11.9 | 179.2 | 70.4 | 0 | 0 | 0 | 0 | 113.4 | T283 R284 P285 N342 | T283-S287 WeakPolarHBondContact OG1-CB 3.38Å; T283-S287 PolarHBondContact OG1-OG 2.95Å; R284-S287 PolarHBondContact O-N 3.33Å; R284-S287 PolarHBondContact O-OG 3.47Å; P285-S287 PolarHBondContact O-N 3.37Å; S287-N342 PolarHBondContact O-ND2 3.17Å; S287-N342 PolarHBondContact O-OD1 3.08Å |
| 288 | Y | 89.1 | Confident | 78.7 | Confident | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | trans | -106 | 122.3 | -174.8 | -62.8 | -72.6 | 0 | 0 | 0 | 111 | L268 G281 L282 T283 R284 P285 E286 Y290 L291 R292 L338 H339 N342 | L268-Y288 HydrophobicContact CD1-CD2 4.39Å; L268-Y288 HydrophobicContact CD2-CE2 4.15Å; G281-Y288 PolarHBondContact O-OH 3Å; L282-Y288 VanDerWaalsContact CA-OH 3.28Å; L282-Y288 WeakPolarHBondContact CA-OH 2.7Å; L282-Y288 HydrophobicContact CD2-CE2 4.36Å; L282-Y288 WeakPolarHBondContact CD2-OH 3.44Å; T283-Y288 PolarHBondContact N-OH 2.74Å; R284-Y288 WeakPolarHBondContact O-CD2 3.21Å; P285-Y288 PolarHBondContact O-N 3.01Å; E286-Y288 VanDerWaalsContact C-N 3.27Å; E286-Y288 PolarHBondContact O-N 3.48Å; Y288-Y290 VanDerWaalsContact C-N 3.27Å; Y288-Y290 PolarHBondContact O-N 3.46Å; Y288-L291 HydrophobicContact CD2-CD1 4.34Å; Y288-L291 PolarHBondContact O-N 2.93Å; Y288-R292 WeakPolarHBondContact O-CB 3.07Å; Y288-R292 PolarHBondContact O-N 3.41Å; Y288-L338 HydrophobicContact CD1-CB 3.68Å; Y288-L338 WeakPolarHBondContact CD1-O 3.34Å; Y288-L338 HydrophobicContact CD2-CD1 4.47Å; Y288-L338 HydrophobicContact CE1-CB 3.91Å; Y288-L338 HydrophobicContact CG-CB 4.13Å; Y288-L338 HydrophobicContact CG-CD2 4.47Å; Y288-H339 AromaticContact CE1-ND1 3.99Å; Y288-N342 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 289 | H | 90 | Very high | 79.2 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.6 | -45.6 | 179.9 | 178.3 | 68.2 | 0 | 0 | 0 | 112 | L291 R292 Q293 G341 N342 | H289-L291 PolarHBondContact O-N 2.98Å; H289-L291 VanDerWaalsContact O-N 3.14Å; H289-R292 PolarHBondContact O-N 3.31Å; H289-Q293 PolarHBondContact O-N 2.95Å; H289-G341 VanDerWaalsContact CB-O 3.31Å; H289-G341 WeakPolarHBondContact CB-O 3.29Å; H289-N342 PolarHBondContact N-OD1 3.41Å |
| 290 | Y | 90.8 | Very high | 79.4 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.8 | -14.7 | 179.9 | -68.5 | -20 | 0 | 0 | 0 | 115.4 | V251 V252 Q254 N260 Y288 Q293 I337 D403 A406 | V251-Y290 WeakPolarHBondContact O-CB 3.44Å; V252-Y290 HydrophobicContact CB-CD1 4.31Å; V252-Y290 HydrophobicContact CB-CE1 3.92Å; V252-Y290 HydrophobicContact CG1-CE1 3.88Å; V252-Y290 HydrophobicContact CG1-CE2 4.32Å; Q254-Y290 PolarHBondContact NE2-O 3.27Å; Q254-Y290 PolarHBondContact OE1-O 3.14Å; Q254-Y290 VanDerWaalsContact OE1-O 3.12Å; N260-Y290 PolarHBondContact ND2-O 3.18Å; Y288-Y290 VanDerWaalsContact C-N 3.27Å; Y288-Y290 PolarHBondContact O-N 3.46Å; Y290-Q293 PolarHBondContact O-NE2 2.81Å; Y290-I337 HydrophobicContact CD2-CG2 4.37Å; Y290-I337 WeakPolarHBondContact CD2-O 3.23Å; Y290-I337 HydrophobicContact CE2-CG2 4.32Å; Y290-I337 VanDerWaalsContact CE2-O 3.25Å; Y290-I337 WeakPolarHBondContact CE2-O 3.21Å; Y290-D403 PolarHBondContact OH-OD1 3.49Å; Y290-A406 HydrophobicContact CE2-CB 3.75Å |
| 291 | L | 88.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -110.1 | -27.7 | 178.9 | -57.9 | -178.6 | 0 | 0 | 0 | 112.8 | N260 F264 Y265 L268 P285 Y288 H289 L338 | N260-L291 HydrophobicContact CB-CD2 3.63Å; F264-L291 HydrophobicContact CB-CD1 4.4Å; F264-L291 HydrophobicContact CB-CD2 3.84Å; F264-L291 HydrophobicContact CG-CD2 4.29Å; Y265-L291 HydrophobicContact CE1-CD2 4.46Å; Y265-L291 HydrophobicContact CE2-CD2 4.28Å; L268-L291 HydrophobicContact CD1-CD1 3.43Å; L268-L291 VanDerWaalsContact CD1-CD1 3.43Å; P285-L291 HydrophobicContact CB-CD1 4.2Å; Y288-L291 HydrophobicContact CD2-CD1 4.34Å; Y288-L291 PolarHBondContact O-N 2.93Å; H289-L291 PolarHBondContact O-N 2.98Å; H289-L291 VanDerWaalsContact O-N 3.14Å; L291-L338 HydrophobicContact CD1-CD1 4.45Å; L291-L338 HydrophobicContact CD1-CD2 3.85Å; L291-L338 HydrophobicContact CD2-CD2 4.18Å; L291-L338 HydrophobicContact CG-CD2 3.87Å |
| 292 | R | 86.3 | Confident | 79.2 | Confident | 171 Ų | 171 | 70.6 Ų | 70.6 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78.4 | -29.8 | -175.6 | -178.6 | 179.4 | 175.5 | -179.4 | -1 | 113.8 | E286 Y288 H289 S294 S295 | E286-R292 WeakPolarHBondContact O-CD 3.45Å; Y288-R292 WeakPolarHBondContact O-CB 3.07Å; Y288-R292 PolarHBondContact O-N 3.41Å; H289-R292 PolarHBondContact O-N 3.31Å; R292-S294 PolarHBondContact O-N 2.99Å; R292-S294 VanDerWaalsContact O-N 3.1Å; R292-S295 PolarHBondContact O-N 3.4Å |
| 293 | Q | 82.9 | Confident | 79.1 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.8 | -168.7 | 62.1 | -173.3 | -44.9 | 0 | 0 | 115.8 | V252 R253 H289 Y290 S295 | V252-Q293 PolarHBondContact O-NE2 3.3Å; V252-Q293 PolarHBondContact O-OE1 3.23Å; R253-Q293 VanDerWaalsContact CA-OE1 3.3Å; H289-Q293 PolarHBondContact O-N 2.95Å; Y290-Q293 PolarHBondContact O-NE2 2.81Å; Q293-S295 VanDerWaalsContact C-N 3.31Å |
| 294 | S | 78.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -2.1 | -178.8 | 67 | 0 | 0 | 0 | 0 | 114 | G257 E258 R292 C296 | G257-S294 PolarHBondContact N-O 3.11Å; E258-S294 WeakPolarHBondContact O-CB 3.49Å; E258-S294 PolarHBondContact O-OG 3.26Å; R292-S294 PolarHBondContact O-N 2.99Å; R292-S294 VanDerWaalsContact O-N 3.1Å; S294-C296 PolarHBondContact O-N 2.78Å |
| 295 | S | 74.2 | Confident | 78.9 | Confident | 109 Ų | 109 | 65.3 Ų | 65.3 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 58 | 8.9 | -175.5 | 62.4 | 0 | 0 | 0 | 0 | 115.8 | R292 Q293 | R292-S295 PolarHBondContact O-N 3.4Å; Q293-S295 VanDerWaalsContact C-N 3.31Å |
| 296 | C | 75.4 | Confident | 78.6 | Confident | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | trans | -117 | 89.2 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | K211 R259 S294 | K211-C296 PolarHBondContact NZ-SG 3.22Å; R259-C296 WeakPolarHBondContact CG-O 3.35Å; S294-C296 PolarHBondContact O-N 2.78Å | ||
| 297 | T | 66.3 | Low | 78.1 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | trans | -92.9 | -36.5 | 179 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | P285 E286 | P285-T297 HydrophobicContact CB-CG2 4.38Å; E286-T297 HydrophobicContact CG-CG2 4.23Å; E286-T297 WeakPolarHBondContact OE1-CB 3.13Å; E286-T297 PolarHBondContact OE1-OG1 3.06Å | ||
| 298 | E | 65.5 | Low | 77.6 | Confident | 167 Ų | 167 | 62.5 Ų | 62.5 | 78% | 0.78 | 32% | 0.322 | S | S | * | . | trans | -118.5 | 141 | -177.5 | -63.5 | -175.3 | 170 | 0 | 0 | 112.8 | ||||
| 299 | D | 65.8 | Low | 76.8 | Confident | 35 Ų | 35 | 68 Ų | 68 | 19% | 0.187 | 35% | 0.348 | C | S | . | . | trans | -136.8 | 130 | 172.7 | -166.4 | -41.3 | 0 | 0 | 0 | 109.9 | K211 T301 I302 | K211-D299 WeakPolarHBondContact CD-OD2 3.46Å; K211-D299 WeakPolarHBondContact CE-OD2 3.4Å; K211-D299 IonicContact NZ-OD2 3.96Å; K211-D299 PolarHBondContact NZ-OD2 3.3Å; D299-T301 VanDerWaalsContact CG-OG1 3.3Å; D299-T301 PolarHBondContact O-N 3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.44Å; D299-T301 PolarHBondContact OD1-N 2.79Å; D299-T301 PolarHBondContact OD1-OG1 3.28Å; D299-I302 PolarHBondContact O-N 3.3Å | ||
| 300 | K | 66.7 | Low | 75.6 | Confident | 219 Ų | 219 | 68.2 Ų | 68.2 | 95% | 0.952 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.9 | -179.4 | -64.7 | -178.4 | -179.8 | 178.9 | 0 | 113.5 | ||
| 301 | T | 68.5 | Low | 74.4 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.4 | -175.6 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | N216 D299 | N216-T301 PolarHBondContact ND2-OG1 2.7Å; D299-T301 VanDerWaalsContact CG-OG1 3.3Å; D299-T301 PolarHBondContact O-N 3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.44Å; D299-T301 PolarHBondContact OD1-N 2.79Å; D299-T301 PolarHBondContact OD1-OG1 3.28Å |
| 302 | I | 75.5 | Confident | 73.1 | Confident | 30 Ų | 30 | 69.4 Ų | 69.4 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | trans | -115.6 | 120.7 | -177.3 | -54.4 | 170.3 | 0 | 0 | 0 | 108.4 | K211 N216 D299 D304 | K211-I302 HydrophobicContact CB-CD1 4.39Å; N216-I302 HydrophobicContact CB-CD1 4.09Å; N216-I302 HydrophobicContact CB-CG1 4.43Å; N216-I302 WeakPolarHBondContact O-CD1 3.21Å; D299-I302 PolarHBondContact O-N 3.3Å; I302-D304 WeakPolarHBondContact CG2-OD1 3.44Å; I302-D304 PolarHBondContact O-N 2.83Å | ||
| 303 | N | 79.8 | Confident | 71.5 | Confident | 96 Ų | 96 | 64 Ų | 64 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | trans | -94.9 | 95.8 | 173.6 | -173.2 | -8.8 | 0 | 0 | 0 | 109.3 | S305 S306 T307 | N303-S305 PolarHBondContact O-N 3.33Å; N303-S305 WeakPolarHBondContact OD1-CB 2.94Å; N303-S305 PolarHBondContact OD1-N 3.29Å; N303-S306 WeakPolarHBondContact CB-OG 3.33Å; N303-S306 PolarHBondContact O-N 2.97Å; N303-S306 PolarHBondContact O-OG 3.14Å; N303-S306 PolarHBondContact OD1-N 3.08Å; N303-T307 PolarHBondContact O-N 3.3Å; N303-T307 PolarHBondContact O-OG1 3.23Å | ||
| 304 | D | 81.4 | Confident | 70 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -26.2 | -178.5 | -63.3 | -46.3 | 0 | 0 | 0 | 111.5 | R259 A266 A269 I302 T307 F308 | R259-D304 IonicContact CZ-OD1 3.22Å; R259-D304 IonicContact CZ-OD2 2.75Å; R259-D304 IonicContact NH1-OD1 3.88Å; R259-D304 PolarHBondContact NH1-OD1 3.41Å; R259-D304 IonicContact NH1-OD2 3.44Å; R259-D304 PolarHBondContact NH1-OD2 2.58Å; R259-D304 IonicContact NH2-OD1 2.77Å; R259-D304 PolarHBondContact NH2-OD1 3.34Å; R259-D304 VanDerWaalsContact NH2-OD1 3.1Å; R259-D304 IonicContact NH2-OD2 3.11Å; A266-D304 WeakPolarHBondContact CA-O 3.44Å; A269-D304 HydrophobicContact CB-CB 3.83Å; I302-D304 WeakPolarHBondContact CG2-OD1 3.44Å; I302-D304 PolarHBondContact O-N 2.83Å; D304-T307 PolarHBondContact O-N 3.15Å; D304-F308 PolarHBondContact O-N 3.38Å |
| 305 | S | 78.6 | Confident | 69 | Low | 61 Ų | 61 | 67.8 Ų | 67.8 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | N303 T307 F308 Q309 | N303-S305 PolarHBondContact O-N 3.33Å; N303-S305 WeakPolarHBondContact OD1-CB 2.94Å; N303-S305 PolarHBondContact OD1-N 3.29Å; S305-T307 VanDerWaalsContact C-N 3.32Å; S305-F308 WeakPolarHBondContact O-CB 3.41Å; S305-F308 PolarHBondContact O-N 2.84Å; S305-Q309 PolarHBondContact O-N 2.65Å |
| 306 | S | 76.6 | Confident | 68.7 | Low | 40 Ų | 40 | 62.6 Ų | 62.6 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 173.7 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | N303 F308 Q309 D310 | N303-S306 WeakPolarHBondContact CB-OG 3.33Å; N303-S306 PolarHBondContact O-N 2.97Å; N303-S306 PolarHBondContact O-OG 3.14Å; N303-S306 PolarHBondContact OD1-N 3.08Å; S306-F308 VanDerWaalsContact C-N 3.27Å; S306-F308 PolarHBondContact O-N 3.23Å; S306-Q309 CarbonylContact O-C 3.36Å; S306-Q309 WeakPolarHBondContact O-CA 3.49Å; S306-Q309 WeakPolarHBondContact O-CB 3.26Å; S306-Q309 PolarHBondContact O-N 3.23Å; S306-D310 WeakPolarHBondContact O-CB 3.18Å; S306-D310 VanDerWaalsContact O-CG 3.22Å; S306-D310 PolarHBondContact O-N 3.39Å |
| 307 | T | 74.3 | Confident | 68.6 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 175.5 | -53 | 0 | 0 | 0 | 0 | 111.1 | A266 N303 D304 S305 V311 | A266-T307 HydrophobicContact CB-CG2 4.06Å; N303-T307 PolarHBondContact O-N 3.3Å; N303-T307 PolarHBondContact O-OG1 3.23Å; D304-T307 PolarHBondContact O-N 3.15Å; S305-T307 VanDerWaalsContact C-N 3.32Å; T307-V311 HydrophobicContact CG2-CG2 4.27Å; T307-V311 VanDerWaalsContact O-CB 3.25Å; T307-V311 WeakPolarHBondContact O-CB 3.42Å; T307-V311 WeakPolarHBondContact O-CG2 3.48Å; T307-V311 PolarHBondContact O-N 3.35Å |
| 308 | F | 75.6 | Confident | 68.9 | Low | 23 Ų | 23 | 65 Ų | 65 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 173.2 | -175.6 | -91.2 | 0 | 0 | 0 | 112.2 | A266 G270 A271 D304 S305 S306 V311 L312 V313 | A266-F308 HydrophobicContact CB-CB 4.2Å; A266-F308 WeakPolarHBondContact O-CB 3.47Å; A266-F308 WeakPolarHBondContact O-CD2 3.49Å; G270-F308 WeakPolarHBondContact O-CE1 3.4Å; A271-F308 HydrophobicContact CB-CE2 4.19Å; A271-F308 HydrophobicContact CB-CZ 3.81Å; D304-F308 PolarHBondContact O-N 3.38Å; S305-F308 WeakPolarHBondContact O-CB 3.41Å; S305-F308 PolarHBondContact O-N 2.84Å; S306-F308 VanDerWaalsContact C-N 3.27Å; S306-F308 PolarHBondContact O-N 3.23Å; F308-V311 PolarHBondContact O-N 3.22Å; F308-L312 HydrophobicContact CD1-CB 4.38Å; F308-L312 HydrophobicContact CD2-CB 4.14Å; F308-L312 HydrophobicContact CD2-CD1 3.38Å; F308-L312 HydrophobicContact CD2-CG 4.37Å; F308-L312 HydrophobicContact CE1-CB 4.22Å; F308-L312 HydrophobicContact CE2-CB 4.01Å; F308-L312 HydrophobicContact CE2-CD1 3.35Å; F308-L312 HydrophobicContact CE2-CG 4.23Å; F308-L312 HydrophobicContact CG-CB 4.34Å; F308-L312 HydrophobicContact CG-CD1 4.28Å; F308-L312 HydrophobicContact CZ-CB 4.03Å; F308-L312 HydrophobicContact CZ-CD1 4.19Å; F308-L312 WeakPolarHBondContact O-CA 3.28Å; F308-L312 WeakPolarHBondContact O-CB 3.44Å; F308-L312 PolarHBondContact O-N 3.49Å; F308-V313 HydrophobicContact CD1-CG2 4.25Å; F308-V313 HydrophobicContact CE1-CG2 4.18Å |
| 309 | Q | 70.9 | Confident | 69.3 | Low | 118 Ų | 118 | 58.6 Ų | 58.6 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 178 | -166.8 | 170.6 | 3.6 | 0 | 0 | 112.1 | S305 S306 V311 V313 | S305-Q309 PolarHBondContact O-N 2.65Å; S306-Q309 CarbonylContact O-C 3.36Å; S306-Q309 WeakPolarHBondContact O-CA 3.49Å; S306-Q309 WeakPolarHBondContact O-CB 3.26Å; S306-Q309 PolarHBondContact O-N 3.23Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.46Å; Q309-V313 HydrophobicContact CB-CG2 4.5Å; Q309-V313 HydrophobicContact CG-CB 4.03Å; Q309-V313 HydrophobicContact CG-CG1 4.03Å; Q309-V313 HydrophobicContact CG-CG2 4.26Å; Q309-V313 WeakPolarHBondContact O-CB 3.38Å; Q309-V313 PolarHBondContact O-N 2.94Å |
| 310 | D | 66.3 | Low | 69.8 | Low | 95 Ų | 95 | 57.2 Ų | 57.2 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.5 | -31.8 | 178.6 | -65.6 | -24 | 0 | 0 | 0 | 111.8 | S306 A316 | S306-D310 WeakPolarHBondContact O-CB 3.18Å; S306-D310 VanDerWaalsContact O-CG 3.22Å; S306-D310 PolarHBondContact O-N 3.39Å; D310-A316 WeakPolarHBondContact O-CB 3.38Å |
| 311 | V | 64.9 | Low | 70.5 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -97.5 | -42.4 | -173.6 | 178.9 | 0 | 0 | 0 | 0 | 113.2 | A206 F207 I263 T307 F308 Q309 M317 | A206-V311 HydrophobicContact CB-CB 4.35Å; A206-V311 HydrophobicContact CB-CG1 3.88Å; A206-V311 HydrophobicContact CB-CG2 3.6Å; F207-V311 HydrophobicContact CE2-CG1 4.48Å; I263-V311 HydrophobicContact CD1-CG1 4.34Å; T307-V311 HydrophobicContact CG2-CG2 4.27Å; T307-V311 VanDerWaalsContact O-CB 3.25Å; T307-V311 WeakPolarHBondContact O-CB 3.42Å; T307-V311 WeakPolarHBondContact O-CG2 3.48Å; T307-V311 PolarHBondContact O-N 3.35Å; F308-V311 PolarHBondContact O-N 3.22Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.46Å; V311-M317 HydrophobicContact CG1-CE 4.28Å; V311-M317 WeakPolarHBondContact O-CG 3.25Å |
| 312 | L | 61.4 | Low | 71.1 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -111.8 | -13.9 | -166.9 | -82.5 | 152 | 0 | 0 | 0 | 114.8 | I263 I267 F308 I327 L331 | I263-L312 HydrophobicContact CD1-CD1 3.89Å; I267-L312 HydrophobicContact CG1-CD1 4.09Å; F308-L312 HydrophobicContact CD1-CB 4.38Å; F308-L312 HydrophobicContact CD2-CB 4.14Å; F308-L312 HydrophobicContact CD2-CD1 3.38Å; F308-L312 HydrophobicContact CD2-CG 4.37Å; F308-L312 HydrophobicContact CE1-CB 4.22Å; F308-L312 HydrophobicContact CE2-CB 4.01Å; F308-L312 HydrophobicContact CE2-CD1 3.35Å; F308-L312 HydrophobicContact CE2-CG 4.23Å; F308-L312 HydrophobicContact CG-CB 4.34Å; F308-L312 HydrophobicContact CG-CD1 4.28Å; F308-L312 HydrophobicContact CZ-CB 4.03Å; F308-L312 HydrophobicContact CZ-CD1 4.19Å; F308-L312 WeakPolarHBondContact O-CA 3.28Å; F308-L312 WeakPolarHBondContact O-CB 3.44Å; F308-L312 PolarHBondContact O-N 3.49Å; L312-I327 HydrophobicContact CD2-CG2 3.45Å; L312-I327 VanDerWaalsContact CD2-CG2 3.45Å; L312-L331 HydrophobicContact CD1-CD2 3.91Å; L312-L331 HydrophobicContact CD2-CD1 4.13Å; L312-L331 HydrophobicContact CD2-CD2 3.84Å; L312-L331 HydrophobicContact CD2-CG 4.12Å |
| 313 | V | 53.3 | Low | 71.4 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 35% | 0.345 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -95.9 | 155.6 | 178.1 | 174.5 | 0 | 0 | 0 | 0 | 109 | F308 Q309 S315 | F308-V313 HydrophobicContact CD1-CG2 4.25Å; F308-V313 HydrophobicContact CE1-CG2 4.18Å; Q309-V313 HydrophobicContact CB-CG2 4.5Å; Q309-V313 HydrophobicContact CG-CB 4.03Å; Q309-V313 HydrophobicContact CG-CG1 4.03Å; Q309-V313 HydrophobicContact CG-CG2 4.26Å; Q309-V313 WeakPolarHBondContact O-CB 3.38Å; Q309-V313 PolarHBondContact O-N 2.94Å; V313-S315 VanDerWaalsContact C-N 3.25Å; V313-S315 PolarHBondContact O-N 2.77Å |
| 314 | P | 49.9 | Very low | 71.4 | Confident | 77 Ų | 77 | 53.2 Ų | 53.2 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 0.4 | -154.2 | -39.1 | 42 | 0 | 0 | 0 | 122.9 | Q318 | P314-Q318 VanDerWaalsContact CA-CD 3.42Å; P314-Q318 VanDerWaalsContact CB-CD 3.44Å; P314-Q318 HydrophobicContact CB-CG 4.35Å; P314-Q318 VanDerWaalsContact O-CB 3.23Å; P314-Q318 WeakPolarHBondContact O-CB 3.17Å; P314-Q318 VanDerWaalsContact O-CD 3.32Å; P314-Q318 WeakPolarHBondContact O-CG 3.43Å; P314-Q318 PolarHBondContact O-OE1 2.93Å; P314-Q318 VanDerWaalsContact O-OE1 3.05Å |
| 315 | S | 58.3 | Low | 71.3 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -64.8 | -175.2 | -162 | 0 | 0 | 0 | 0 | 112.6 | V313 T319 | V313-S315 VanDerWaalsContact C-N 3.25Å; V313-S315 PolarHBondContact O-N 2.77Å; S315-T319 WeakPolarHBondContact O-CB 3.43Å; S315-T319 PolarHBondContact O-N 2.84Å; S315-T319 VanDerWaalsContact O-N 3.07Å; S315-T319 PolarHBondContact O-OG1 2.99Å |
| 316 | A | 66.8 | Low | 71.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.9 | -56 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E199 I203 D310 Q318 T319 M320 | E199-A316 HydrophobicContact CB-CB 4.35Å; E199-A316 VanDerWaalsContact OE2-CB 3.3Å; E199-A316 WeakPolarHBondContact OE2-CB 3.22Å; I203-A316 HydrophobicContact CD1-CB 4.39Å; I203-A316 HydrophobicContact CG1-CB 4.36Å; D310-A316 WeakPolarHBondContact O-CB 3.38Å; A316-Q318 VanDerWaalsContact C-N 3.35Å; A316-Q318 PolarHBondContact O-N 3.48Å; A316-T319 PolarHBondContact O-N 3.25Å; A316-M320 WeakPolarHBondContact O-CB 3.3Å; A316-M320 WeakPolarHBondContact O-CG 3.48Å; A316-M320 PolarHBondContact O-N 3.34Å |
| 317 | M | 73.6 | Confident | 71.7 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -33.7 | -178.7 | -74.6 | -76.4 | -170.1 | 0 | 0 | 112.6 | I203 F207 V311 M320 Q321 F322 I327 | I203-M317 HydrophobicContact CB-CE 4.35Å; I203-M317 HydrophobicContact CD1-CE 4.21Å; I203-M317 HydrophobicContact CD1-CG 4.25Å; I203-M317 HydrophobicContact CD1-SD 3.79Å; I203-M317 HydrophobicContact CG1-CE 3.97Å; I203-M317 HydrophobicContact CG1-CG 4.47Å; I203-M317 HydrophobicContact CG1-SD 4.18Å; I203-M317 HydrophobicContact CG2-CE 3.57Å; I203-M317 HydrophobicContact CG2-SD 4.38Å; F207-M317 HydrophobicContact CE2-CE 4.02Å; V311-M317 HydrophobicContact CG1-CE 4.28Å; V311-M317 WeakPolarHBondContact O-CG 3.25Å; M317-M320 CarbonylContact O-C 3.53Å; M317-M320 PolarHBondContact O-N 3.38Å; M317-Q321 PolarHBondContact O-N 2.9Å; M317-F322 HydrophobicContact CB-CB 4.24Å; M317-F322 HydrophobicContact CB-CD2 4.36Å; M317-F322 WeakPolarHBondContact O-CB 3.41Å; M317-F322 WeakPolarHBondContact O-CD2 3.49Å; M317-F322 PolarHBondContact O-N 3.48Å; M317-F322 HydrophobicContact SD-CB 4.39Å; M317-F322 HydrophobicContact SD-CD1 4.18Å; M317-F322 HydrophobicContact SD-CD2 3.48Å; M317-F322 WeakPolarHBondContact SD-CD2 3.47Å; M317-F322 HydrophobicContact SD-CE1 4.34Å; M317-F322 HydrophobicContact SD-CE2 3.65Å; M317-F322 HydrophobicContact SD-CG 3.76Å; M317-F322 HydrophobicContact SD-CZ 4.09Å; M317-I327 HydrophobicContact CB-CD1 3.83Å; M317-I327 HydrophobicContact CB-CG1 4.38Å |
| 318 | Q | 72.9 | Confident | 72 | Confident | 91 Ų | 91 | 59.1 Ų | 59.1 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.6 | -38.3 | 174.2 | -58.2 | -173.3 | -6.9 | 0 | 0 | 112.2 | P314 A316 M320 Q321 | P314-Q318 VanDerWaalsContact CA-CD 3.42Å; P314-Q318 VanDerWaalsContact CB-CD 3.44Å; P314-Q318 HydrophobicContact CB-CG 4.35Å; P314-Q318 VanDerWaalsContact O-CB 3.23Å; P314-Q318 WeakPolarHBondContact O-CB 3.17Å; P314-Q318 VanDerWaalsContact O-CD 3.32Å; P314-Q318 WeakPolarHBondContact O-CG 3.43Å; P314-Q318 PolarHBondContact O-OE1 2.93Å; P314-Q318 VanDerWaalsContact O-OE1 3.05Å; A316-Q318 VanDerWaalsContact C-N 3.35Å; A316-Q318 PolarHBondContact O-N 3.48Å; Q318-M320 PolarHBondContact O-N 2.85Å; Q318-Q321 WeakPolarHBondContact O-CA 3.49Å; Q318-Q321 PolarHBondContact O-N 3.18Å |
| 319 | T | 73.3 | Confident | 72.3 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -33.7 | 171.5 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | E195 E199 S315 A316 Q321 | E195-T319 HydrophobicContact CG-CG2 4.19Å; E199-T319 HydrophobicContact CG-CG2 4.16Å; S315-T319 WeakPolarHBondContact O-CB 3.43Å; S315-T319 PolarHBondContact O-N 2.84Å; S315-T319 VanDerWaalsContact O-N 3.07Å; S315-T319 PolarHBondContact O-OG1 2.99Å; A316-T319 PolarHBondContact O-N 3.25Å; T319-Q321 VanDerWaalsContact C-N 3.26Å; T319-Q321 PolarHBondContact O-N 3.32Å |
| 320 | M | 77.3 | Confident | 73 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 1.4 | 173.3 | -73 | -62.9 | -169.7 | 0 | 0 | 115.6 | A196 E199 I203 A316 M317 Q318 F322 L421 R424 | A196-M320 HydrophobicContact CB-CE 4.17Å; A196-M320 HydrophobicContact CB-SD 3.96Å; A196-M320 WeakPolarHBondContact O-CE 3.48Å; E199-M320 HydrophobicContact CB-CE 4.29Å; I203-M320 HydrophobicContact CD1-CB 4.35Å; I203-M320 HydrophobicContact CD1-CG 3.74Å; A316-M320 WeakPolarHBondContact O-CB 3.3Å; A316-M320 WeakPolarHBondContact O-CG 3.48Å; A316-M320 PolarHBondContact O-N 3.34Å; M317-M320 CarbonylContact O-C 3.53Å; M317-M320 PolarHBondContact O-N 3.38Å; Q318-M320 PolarHBondContact O-N 2.85Å; M320-F322 VanDerWaalsContact C-N 3.3Å; M320-F322 HydrophobicContact CB-CD2 3.57Å; M320-F322 HydrophobicContact CB-CE2 3.66Å; M320-F322 PolarHBondContact O-N 3.34Å; M320-L421 HydrophobicContact CB-CD2 4.39Å; M320-L421 HydrophobicContact CE-CD2 3.53Å; M320-L421 HydrophobicContact CG-CD2 3.8Å; M320-L421 HydrophobicContact SD-CD2 3.59Å; M320-L421 VanDerWaalsContact SD-CD2 3.59Å; M320-R424 HydrophobicContact SD-CB 4.42Å; M320-R424 HydrophobicContact SD-CG 3.97Å |
| 321 | Q | 80.6 | Confident | 73.9 | Confident | 137 Ų | 137 | 51.6 Ų | 51.6 | 64% | 0.64 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 31.9 | 179.3 | -56.1 | 176.1 | -18.3 | 0 | 0 | 113.9 | M317 Q318 T319 R424 | M317-Q321 PolarHBondContact O-N 2.9Å; Q318-Q321 WeakPolarHBondContact O-CA 3.49Å; Q318-Q321 PolarHBondContact O-N 3.18Å; T319-Q321 VanDerWaalsContact C-N 3.26Å; T319-Q321 PolarHBondContact O-N 3.32Å; Q321-R424 VanDerWaalsContact CD-CD 3.48Å; Q321-R424 VanDerWaalsContact OE1-CD 3.32Å |
| 322 | F | 80.9 | Confident | 74.9 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | trans | -72.9 | 129.3 | 163.7 | -71.7 | -97.4 | 0 | 0 | 0 | 109.2 | M317 M320 N326 I327 W416 I417 K420 L421 | M317-F322 HydrophobicContact CB-CB 4.24Å; M317-F322 HydrophobicContact CB-CD2 4.36Å; M317-F322 WeakPolarHBondContact O-CB 3.41Å; M317-F322 WeakPolarHBondContact O-CD2 3.49Å; M317-F322 PolarHBondContact O-N 3.48Å; M317-F322 HydrophobicContact SD-CB 4.39Å; M317-F322 HydrophobicContact SD-CD1 4.18Å; M317-F322 HydrophobicContact SD-CD2 3.48Å; M317-F322 WeakPolarHBondContact SD-CD2 3.47Å; M317-F322 HydrophobicContact SD-CE1 4.34Å; M317-F322 HydrophobicContact SD-CE2 3.65Å; M317-F322 HydrophobicContact SD-CG 3.76Å; M317-F322 HydrophobicContact SD-CZ 4.09Å; M320-F322 VanDerWaalsContact C-N 3.3Å; M320-F322 HydrophobicContact CB-CD2 3.57Å; M320-F322 HydrophobicContact CB-CE2 3.66Å; M320-F322 PolarHBondContact O-N 3.34Å; F322-N326 HydrophobicContact CD1-CB 4.34Å; F322-I327 HydrophobicContact CB-CD1 4.22Å; F322-I327 HydrophobicContact CB-CG1 3.95Å; F322-W416 HydrophobicContact CD1-CH2 4.09Å; F322-W416 HydrophobicContact CD1-CZ3 4.23Å; F322-W416 AromaticContact CE1-CH2 3.84Å; F322-W416 HydrophobicContact CE1-CH2 3.84Å; F322-W416 AromaticContact CE1-CZ3 3.63Å; F322-W416 HydrophobicContact CE1-CZ3 3.63Å; F322-I417 HydrophobicContact CZ-CG2 4.43Å; F322-K420 HydrophobicContact CE1-CB 3.95Å; F322-K420 HydrophobicContact CE1-CG 4.17Å; F322-K420 HydrophobicContact CZ-CB 3.7Å; F322-K420 HydrophobicContact CZ-CG 4.43Å; F322-L421 HydrophobicContact CE2-CD2 4.22Å | ||
| 323 | T | 83.1 | Confident | 76.2 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | trans | -71 | 153.5 | 170.7 | 59.1 | 0 | 0 | 0 | 0 | 109.7 | E325 N326 I327 | T323-E325 PolarHBondContact O-N 3.32Å; T323-N326 WeakPolarHBondContact O-CB 3.37Å; T323-N326 PolarHBondContact O-N 2.92Å; T323-N326 VanDerWaalsContact O-N 3.13Å; T323-N326 WeakPolarHBondContact OG1-CB 3.39Å; T323-N326 PolarHBondContact OG1-N 3.48Å; T323-N326 VanDerWaalsContact OG1-N 3.16Å; T323-N326 PolarHBondContact OG1-ND2 3.38Å; T323-N326 PolarHBondContact OG1-OD1 2.95Å; T323-I327 WeakPolarHBondContact O-CG1 3.44Å; T323-I327 PolarHBondContact O-N 3.22Å; T323-I327 VanDerWaalsContact O-N 3.08Å | ||
| 324 | E | 78.3 | Confident | 77.9 | Confident | 138 Ų | 138 | 50.9 Ų | 50.9 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.8 | -29.7 | 175.4 | -63.5 | -171.3 | 165.7 | 0 | 0 | 112.1 | R328 | E324-R328 WeakPolarHBondContact O-CB 3.29Å; E324-R328 PolarHBondContact O-N 3Å |
| 325 | E | 79.6 | Confident | 79.8 | Confident | 108 Ų | 108 | 47.3 Ų | 47.3 | 51% | 0.505 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -51.2 | 173.5 | -65.4 | 174.7 | 170.7 | 0 | 0 | 111.7 | T323 I327 R328 E329 | T323-E325 PolarHBondContact O-N 3.32Å; E325-I327 PolarHBondContact O-N 2.87Å; E325-R328 WeakPolarHBondContact O-CB 3.29Å; E325-R328 PolarHBondContact O-N 3.1Å; E325-E329 WeakPolarHBondContact O-CG 3.27Å; E325-E329 PolarHBondContact O-N 3.47Å |
| 326 | N | 82.6 | Confident | 81.3 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.6 | -41 | 176.4 | -74.2 | -6.4 | 0 | 0 | 0 | 111.7 | F322 T323 E329 V330 W416 | F322-N326 HydrophobicContact CD1-CB 4.34Å; T323-N326 WeakPolarHBondContact O-CB 3.37Å; T323-N326 PolarHBondContact O-N 2.92Å; T323-N326 VanDerWaalsContact O-N 3.13Å; T323-N326 WeakPolarHBondContact OG1-CB 3.39Å; T323-N326 PolarHBondContact OG1-N 3.48Å; T323-N326 VanDerWaalsContact OG1-N 3.16Å; T323-N326 PolarHBondContact OG1-ND2 3.38Å; T323-N326 PolarHBondContact OG1-OD1 2.95Å; N326-E329 PolarHBondContact O-N 3.38Å; N326-V330 WeakPolarHBondContact O-CG2 3.38Å; N326-V330 PolarHBondContact O-N 2.87Å; N326-W416 HydrophobicContact CB-CH2 4.04Å |
| 327 | I | 81 | Confident | 82.5 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 177.6 | -64.9 | 170.3 | 0 | 0 | 0 | 110 | L312 M317 F322 T323 E325 E329 V330 L331 | L312-I327 HydrophobicContact CD2-CG2 3.45Å; L312-I327 VanDerWaalsContact CD2-CG2 3.45Å; M317-I327 HydrophobicContact CB-CD1 3.83Å; M317-I327 HydrophobicContact CB-CG1 4.38Å; F322-I327 HydrophobicContact CB-CD1 4.22Å; F322-I327 HydrophobicContact CB-CG1 3.95Å; T323-I327 WeakPolarHBondContact O-CG1 3.44Å; T323-I327 PolarHBondContact O-N 3.22Å; T323-I327 VanDerWaalsContact O-N 3.08Å; E325-I327 PolarHBondContact O-N 2.87Å; I327-E329 VanDerWaalsContact C-N 3.3Å; I327-E329 PolarHBondContact O-N 3.41Å; I327-V330 PolarHBondContact O-N 3.1Å; I327-L331 HydrophobicContact CG2-CD1 4.18Å; I327-L331 HydrophobicContact CG2-CG 4.46Å; I327-L331 VanDerWaalsContact O-CG 3.28Å; I327-L331 WeakPolarHBondContact O-CG 3.36Å; I327-L331 PolarHBondContact O-N 2.88Å |
| 328 | R | 80.4 | Confident | 83.3 | Confident | 131 Ų | 131 | 43.7 Ų | 43.7 | 49% | 0.494 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 177.5 | -167.6 | -172.7 | -57.2 | 119.3 | 3.8 | 111.9 | F280 E324 E325 L331 R332 | F280-R328 HydrophobicContact CZ-CG 4.05Å; E324-R328 WeakPolarHBondContact O-CB 3.29Å; E324-R328 PolarHBondContact O-N 3Å; E325-R328 WeakPolarHBondContact O-CB 3.29Å; E325-R328 PolarHBondContact O-N 3.1Å; R328-L331 PolarHBondContact O-N 3.16Å; R328-R332 VanDerWaalsContact O-CB 3.32Å; R328-R332 WeakPolarHBondContact O-CB 3.42Å; R328-R332 PolarHBondContact O-N 3.32Å |
| 329 | E | 83.1 | Confident | 84.2 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.8 | -71.7 | 174.4 | 165 | 0 | 0 | 112.5 | E325 N326 I327 L331 R332 L333 F605 | E325-E329 WeakPolarHBondContact O-CG 3.27Å; E325-E329 PolarHBondContact O-N 3.47Å; N326-E329 PolarHBondContact O-N 3.38Å; I327-E329 VanDerWaalsContact C-N 3.3Å; I327-E329 PolarHBondContact O-N 3.41Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-L331 PolarHBondContact O-N 3.18Å; E329-R332 WeakPolarHBondContact O-CB 3.28Å; E329-R332 PolarHBondContact O-N 3.26Å; E329-L333 WeakPolarHBondContact O-CB 3.48Å; E329-L333 PolarHBondContact O-N 3.32Å; E329-F605 HydrophobicContact CB-CB 4.06Å; E329-F605 HydrophobicContact CB-CD1 3.9Å; E329-F605 HydrophobicContact CB-CD2 4.07Å; E329-F605 HydrophobicContact CB-CE1 4.34Å; E329-F605 HydrophobicContact CB-CG 3.76Å; E329-F605 HydrophobicContact CG-CB 4.1Å; E329-F605 HydrophobicContact CG-CG 4.33Å; E329-F605 WeakPolarHBondContact OE2-CB 3.43Å; E329-F605 WeakPolarHBondContact OE2-CD2 3.1Å; E329-F605 WeakPolarHBondContact OE2-CG 3.49Å |
| 330 | V | 85.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | F207 N326 I327 R332 L333 L334 W416 F605 | F207-V330 HydrophobicContact CE1-CG1 3.76Å; F207-V330 HydrophobicContact CZ-CG1 3.63Å; N326-V330 WeakPolarHBondContact O-CG2 3.38Å; N326-V330 PolarHBondContact O-N 2.87Å; I327-V330 PolarHBondContact O-N 3.1Å; V330-R332 PolarHBondContact O-N 3.13Å; V330-L333 PolarHBondContact O-N 3.5Å; V330-L334 HydrophobicContact CG1-CD1 4.07Å; V330-L334 VanDerWaalsContact O-CG 3.28Å; V330-L334 WeakPolarHBondContact O-CG 3.36Å; V330-L334 PolarHBondContact O-N 3.22Å; V330-W416 HydrophobicContact CG2-CE3 4.39Å; V330-W416 HydrophobicContact CG2-CH2 4.41Å; V330-W416 HydrophobicContact CG2-CZ3 3.7Å; V330-F605 HydrophobicContact CG2-CE1 4.41Å; V330-F605 HydrophobicContact CG2-CE2 4.49Å; V330-F605 HydrophobicContact CG2-CZ 3.79Å |
| 331 | L | 84.8 | Confident | 85.7 | Confident | 29 Ų | 29 | 38 Ų | 38 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.2 | -68.3 | 177.3 | 0 | 0 | 0 | 112.3 | I267 F280 L312 I327 R328 E329 L334 A335 | I267-L331 HydrophobicContact CD1-CD2 3.44Å; I267-L331 VanDerWaalsContact CD1-CD2 3.44Å; I267-L331 HydrophobicContact CG1-CD2 3.55Å; F280-L331 HydrophobicContact CE2-CB 4.48Å; F280-L331 HydrophobicContact CZ-CB 4.36Å; L312-L331 HydrophobicContact CD1-CD2 3.91Å; L312-L331 HydrophobicContact CD2-CD1 4.13Å; L312-L331 HydrophobicContact CD2-CD2 3.84Å; L312-L331 HydrophobicContact CD2-CG 4.12Å; I327-L331 HydrophobicContact CG2-CD1 4.18Å; I327-L331 HydrophobicContact CG2-CG 4.46Å; I327-L331 VanDerWaalsContact O-CG 3.28Å; I327-L331 WeakPolarHBondContact O-CG 3.36Å; I327-L331 PolarHBondContact O-N 2.88Å; R328-L331 PolarHBondContact O-N 3.16Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-L331 PolarHBondContact O-N 3.18Å; L331-L334 PolarHBondContact O-N 3.28Å; L331-A335 WeakPolarHBondContact O-CB 3.36Å; L331-A335 PolarHBondContact O-N 2.94Å |
| 332 | R | 86.3 | Confident | 86.2 | Confident | 65 Ų | 65 | 33.3 Ų | 33.3 | 25% | 0.245 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.7 | -174.2 | -179.3 | 172.7 | 174.3 | -0 | 111.4 | F280 R328 E329 V330 A335 G336 E364 L365 S588 | F280-R332 HydrophobicContact CD1-CB 4.38Å; F280-R332 HydrophobicContact CE1-CB 3.78Å; F280-R332 HydrophobicContact CE1-CG 4.18Å; R328-R332 VanDerWaalsContact O-CB 3.32Å; R328-R332 WeakPolarHBondContact O-CB 3.42Å; R328-R332 PolarHBondContact O-N 3.32Å; E329-R332 WeakPolarHBondContact O-CB 3.28Å; E329-R332 PolarHBondContact O-N 3.26Å; V330-R332 PolarHBondContact O-N 3.13Å; R332-A335 PolarHBondContact O-N 3.42Å; R332-G336 PolarHBondContact O-N 3.08Å; R332-E364 PolarHBondContact NH2-O 3.38Å; R332-L365 WeakPolarHBondContact CD-O 3.43Å; R332-L365 HydrophobicContact CG-CB 4.35Å; R332-L365 HydrophobicContact CG-CD2 3.89Å; R332-L365 WeakPolarHBondContact CG-O 3.38Å; R332-L365 PolarHBondContact NE-O 2.99Å; R332-S588 PolarHBondContact NH1-OG 3.24Å |
| 333 | L | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.7 | -178.4 | 150 | 0 | 0 | 0 | 111.4 | E329 V330 A335 G336 I337 L409 C413 F605 V606 L609 | E329-L333 WeakPolarHBondContact O-CB 3.48Å; E329-L333 PolarHBondContact O-N 3.32Å; V330-L333 PolarHBondContact O-N 3.5Å; L333-A335 VanDerWaalsContact C-N 3.34Å; L333-A335 PolarHBondContact O-N 2.79Å; L333-G336 PolarHBondContact O-N 2.98Å; L333-G336 VanDerWaalsContact O-N 3.17Å; L333-I337 HydrophobicContact CD2-CD1 3.52Å; L333-I337 HydrophobicContact CD2-CG1 4.27Å; L333-I337 WeakPolarHBondContact O-CG1 3.41Å; L333-I337 PolarHBondContact O-N 2.78Å; L333-L409 HydrophobicContact CD1-CD2 4.42Å; L333-C413 HydrophobicContact CD1-CB 4.32Å; L333-C413 HydrophobicContact CD2-CB 3.78Å; L333-F605 HydrophobicContact CB-CE1 4.35Å; L333-F605 HydrophobicContact CD1-CD1 4.25Å; L333-F605 HydrophobicContact CD1-CE1 3.85Å; L333-V606 HydrophobicContact CD1-CG2 4.47Å; L333-L609 HydrophobicContact CD1-CD1 3.46Å; L333-L609 VanDerWaalsContact CD1-CD1 3.46Å |
| 334 | L | 89.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.8 | -67.8 | 172.1 | 0 | 0 | 0 | 112.3 | F207 I263 F264 I267 V330 L331 I337 L338 Y410 | F207-L334 HydrophobicContact CE1-CD1 3.84Å; F207-L334 HydrophobicContact CZ-CD1 4.22Å; I263-L334 HydrophobicContact CG1-CD1 3.68Å; I263-L334 HydrophobicContact CG2-CD1 4.39Å; F264-L334 HydrophobicContact CE1-CB 4.27Å; F264-L334 HydrophobicContact CE1-CD2 3.84Å; F264-L334 HydrophobicContact CZ-CD2 4.08Å; I267-L334 HydrophobicContact CD1-CB 4.02Å; I267-L334 HydrophobicContact CD1-CD1 3.34Å; I267-L334 HydrophobicContact CD1-CG 4.34Å; V330-L334 HydrophobicContact CG1-CD1 4.07Å; V330-L334 VanDerWaalsContact O-CG 3.28Å; V330-L334 WeakPolarHBondContact O-CG 3.36Å; V330-L334 PolarHBondContact O-N 3.22Å; L331-L334 PolarHBondContact O-N 3.28Å; L334-I337 HydrophobicContact CD2-CD1 4.49Å; L334-I337 PolarHBondContact O-N 3.35Å; L334-L338 PolarHBondContact O-N 3.03Å; L334-L338 VanDerWaalsContact O-N 3.14Å; L334-Y410 HydrophobicContact CD2-CD2 3.83Å; L334-Y410 HydrophobicContact CD2-CE2 3.71Å |
| 335 | A | 89 | Confident | 87.8 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F280 L282 L331 R332 L333 I337 L338 H339 L365 | F280-A335 HydrophobicContact CB-CB 4.08Å; L282-A335 HydrophobicContact CD1-CB 4.21Å; L282-A335 HydrophobicContact CD2-CB 3.94Å; L282-A335 HydrophobicContact CG-CB 4.2Å; L331-A335 WeakPolarHBondContact O-CB 3.36Å; L331-A335 PolarHBondContact O-N 2.94Å; R332-A335 PolarHBondContact O-N 3.42Å; L333-A335 VanDerWaalsContact C-N 3.34Å; L333-A335 PolarHBondContact O-N 2.79Å; A335-I337 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.17Å; A335-L338 PolarHBondContact O-N 3.37Å; A335-H339 PolarHBondContact O-CD2 3.47Å; A335-H339 VanDerWaalsContact O-CD2 3.25Å; A335-H339 PolarHBondContact O-N 2.86Å; A335-L365 HydrophobicContact CB-CD1 3.99Å |
| 336 | G | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.5 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R332 L333 H339 A340 | R332-G336 PolarHBondContact O-N 3.08Å; L333-G336 PolarHBondContact O-N 2.98Å; L333-G336 VanDerWaalsContact O-N 3.17Å; G336-H339 PolarHBondContact O-N 3.3Å; G336-A340 WeakPolarHBondContact O-CB 2.94Å; G336-A340 PolarHBondContact O-N 3.26Å |
| 337 | I | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.9 | -68.9 | 170.5 | 0 | 0 | 0 | 111.5 | V251 F264 Y290 L333 L334 A335 A340 G341 A406 L409 Y410 | V251-I337 HydrophobicContact CG1-CG2 3.68Å; F264-I337 HydrophobicContact CE1-CG2 4.37Å; F264-I337 HydrophobicContact CZ-CG2 4.22Å; Y290-I337 HydrophobicContact CD2-CG2 4.37Å; Y290-I337 WeakPolarHBondContact CD2-O 3.23Å; Y290-I337 HydrophobicContact CE2-CG2 4.32Å; Y290-I337 VanDerWaalsContact CE2-O 3.25Å; Y290-I337 WeakPolarHBondContact CE2-O 3.21Å; L333-I337 HydrophobicContact CD2-CD1 3.52Å; L333-I337 HydrophobicContact CD2-CG1 4.27Å; L333-I337 WeakPolarHBondContact O-CG1 3.41Å; L333-I337 PolarHBondContact O-N 2.78Å; L334-I337 HydrophobicContact CD2-CD1 4.49Å; L334-I337 PolarHBondContact O-N 3.35Å; A335-I337 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.17Å; I337-A340 WeakPolarHBondContact O-CB 3.41Å; I337-A340 PolarHBondContact O-N 2.99Å; I337-G341 PolarHBondContact O-N 3.22Å; I337-A406 HydrophobicContact CG2-CB 4.14Å; I337-L409 HydrophobicContact CD1-CB 3.89Å; I337-L409 HydrophobicContact CG1-CB 3.99Å; I337-L409 HydrophobicContact CG1-CD1 4.25Å; I337-Y410 HydrophobicContact CD1-CD2 4.14Å |
| 338 | L | 91.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 179 | -71.3 | 179.2 | 0 | 0 | 0 | 112.1 | F264 L282 Y288 L291 L334 A335 G341 | F264-L338 HydrophobicContact CD1-CD1 4.02Å; F264-L338 HydrophobicContact CD1-CD2 3.65Å; F264-L338 HydrophobicContact CD1-CG 3.79Å; F264-L338 HydrophobicContact CE1-CD2 4.01Å; F264-L338 HydrophobicContact CE1-CG 4.06Å; F264-L338 HydrophobicContact CG-CD2 4.23Å; L282-L338 HydrophobicContact CD2-CD1 4.13Å; Y288-L338 HydrophobicContact CD1-CB 3.68Å; Y288-L338 WeakPolarHBondContact CD1-O 3.34Å; Y288-L338 HydrophobicContact CD2-CD1 4.47Å; Y288-L338 HydrophobicContact CE1-CB 3.91Å; Y288-L338 HydrophobicContact CG-CB 4.13Å; Y288-L338 HydrophobicContact CG-CD2 4.47Å; L291-L338 HydrophobicContact CD1-CD1 4.45Å; L291-L338 HydrophobicContact CD1-CD2 3.85Å; L291-L338 HydrophobicContact CD2-CD2 4.18Å; L291-L338 HydrophobicContact CG-CD2 3.87Å; L334-L338 PolarHBondContact O-N 3.03Å; L334-L338 VanDerWaalsContact O-N 3.14Å; A335-L338 PolarHBondContact O-N 3.37Å; L338-G341 PolarHBondContact O-N 3.01Å |
| 339 | H | 91.2 | Very high | 88.8 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 175.8 | -75.4 | -69 | 0 | 0 | 0 | 112.5 | F280 G281 Y288 A335 G336 G341 N342 W361 T362 L365 | F280-H339 PolarHBondContact O-NE2 3.34Å; F280-H339 VanDerWaalsContact O-NE2 3.16Å; G281-H339 PolarHBondContact O-CE1 3.38Å; G281-H339 VanDerWaalsContact O-CE1 3.26Å; G281-H339 PolarHBondContact O-NE2 3.39Å; Y288-H339 AromaticContact CE1-ND1 3.99Å; A335-H339 PolarHBondContact O-CD2 3.47Å; A335-H339 VanDerWaalsContact O-CD2 3.25Å; A335-H339 PolarHBondContact O-N 2.86Å; G336-H339 PolarHBondContact O-N 3.3Å; H339-G341 PolarHBondContact O-N 3.2Å; H339-N342 WeakPolarHBondContact O-CB 3.28Å; H339-N342 PolarHBondContact O-N 3.16Å; H339-W361 HydrophobicContact CB-CB 4.25Å; H339-T362 VanDerWaalsContact C-OG1 3.25Å; H339-L365 VanDerWaalsContact CD2-CD1 3.49Å; H339-L365 WeakPolarHBondContact CD2-CD1 3.28Å |
| 340 | A | 91 | Very high | 89 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G336 I337 N342 I343 T362 R402 M405 | G336-A340 WeakPolarHBondContact O-CB 2.94Å; G336-A340 PolarHBondContact O-N 3.26Å; I337-A340 WeakPolarHBondContact O-CB 3.41Å; I337-A340 PolarHBondContact O-N 2.99Å; A340-N342 PolarHBondContact O-N 3.04Å; A340-I343 WeakPolarHBondContact O-CB 3.2Å; A340-I343 VanDerWaalsContact O-CG1 3.31Å; A340-I343 WeakPolarHBondContact O-CG1 3.35Å; A340-I343 PolarHBondContact O-N 3.25Å; A340-I343 VanDerWaalsContact O-N 3.14Å; A340-T362 WeakPolarHBondContact CA-OG1 3.36Å; A340-T362 HydrophobicContact CB-CG2 3.83Å; A340-T362 PolarHBondContact N-OG1 3.35Å; A340-T362 VanDerWaalsContact N-OG1 3.17Å; A340-R402 WeakPolarHBondContact O-CD 3.3Å; A340-R402 WeakPolarHBondContact O-CG 2.9Å; A340-M405 HydrophobicContact CB-CE 4.22Å |
| 341 | G | 90.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | H289 I337 L338 H339 I343 R402 | H289-G341 VanDerWaalsContact CB-O 3.31Å; H289-G341 WeakPolarHBondContact CB-O 3.29Å; I337-G341 PolarHBondContact O-N 3.22Å; L338-G341 PolarHBondContact O-N 3.01Å; H339-G341 PolarHBondContact O-N 3.2Å; G341-I343 VanDerWaalsContact C-N 3.29Å; G341-R402 PolarHBondContact O-NH1 3.08Å |
| 342 | N | 92.1 | Very high | 89.4 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.3 | 176.3 | -72.7 | -2.1 | 0 | 0 | 0 | 112.9 | S287 Y288 H289 H339 A340 E344 S355 A358 | S287-N342 PolarHBondContact O-ND2 3.17Å; S287-N342 PolarHBondContact O-OD1 3.08Å; Y288-N342 WeakPolarHBondContact CA-OD1 3.34Å; H289-N342 PolarHBondContact N-OD1 3.41Å; H339-N342 WeakPolarHBondContact O-CB 3.28Å; H339-N342 PolarHBondContact O-N 3.16Å; A340-N342 PolarHBondContact O-N 3.04Å; N342-E344 PolarHBondContact O-N 3.46Å; N342-S355 PolarHBondContact O-OG 3.18Å; N342-A358 HydrophobicContact CB-CB 3.91Å |
| 343 | I | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -72.5 | 112.8 | 172.5 | -59.9 | 171.9 | 0 | 0 | 0 | 108.5 | A340 G341 F345 V353 S355 A358 L359 T362 L377 R402 | A340-I343 WeakPolarHBondContact O-CB 3.2Å; A340-I343 VanDerWaalsContact O-CG1 3.31Å; A340-I343 WeakPolarHBondContact O-CG1 3.35Å; A340-I343 PolarHBondContact O-N 3.25Å; A340-I343 VanDerWaalsContact O-N 3.14Å; G341-I343 VanDerWaalsContact C-N 3.29Å; I343-F345 HydrophobicContact CG2-CE1 4.03Å; I343-F345 HydrophobicContact CG2-CE2 4.22Å; I343-F345 HydrophobicContact CG2-CZ 3.78Å; I343-V353 HydrophobicContact CG2-CG1 3.99Å; I343-V353 HydrophobicContact CG2-CG2 4.46Å; I343-S355 WeakPolarHBondContact CA-OG 3.29Å; I343-A358 HydrophobicContact CG1-CB 4.26Å; I343-L359 HydrophobicContact CD1-CD1 4.06Å; I343-T362 HydrophobicContact CD1-CG2 4.35Å; I343-L377 HydrophobicContact CD1-CD1 4.16Å; I343-R402 PolarHBondContact O-NH1 2.66Å | ||
| 344 | E | 91.1 | Very high | 89.5 | Confident | 130 Ų | 130 | 35.2 Ų | 35.2 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | trans | -100.9 | 145.2 | 175.8 | -67.6 | -176.8 | 175.2 | 0 | 0 | 110.9 | N342 A354 S355 | N342-E344 PolarHBondContact O-N 3.46Å; E344-A354 HydrophobicContact CB-CB 4.38Å; E344-A354 PolarHBondContact O-N 3.37Å; E344-S355 PolarHBondContact N-OG 3.16Å | ||
| 345 | F | 92.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 11% | 0.114 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.6 | -180 | -56.7 | -82.2 | 0 | 0 | 0 | 110.8 | I343 Q352 V353 L377 T378 V395 A398 V399 R402 | I343-F345 HydrophobicContact CG2-CE1 4.03Å; I343-F345 HydrophobicContact CG2-CE2 4.22Å; I343-F345 HydrophobicContact CG2-CZ 3.78Å; F345-Q352 CarbonylContact C-O 3.56Å; F345-Q352 VanDerWaalsContact CA-O 3.24Å; F345-Q352 WeakPolarHBondContact CA-O 3.4Å; F345-V353 HydrophobicContact CD1-CG2 4.11Å; F345-V353 HydrophobicContact CE1-CG2 3.88Å; F345-L377 HydrophobicContact CE1-CB 4.08Å; F345-L377 HydrophobicContact CZ-CB 4.18Å; F345-L377 HydrophobicContact CZ-CD1 4.36Å; F345-T378 HydrophobicContact CD1-CG2 4.24Å; F345-T378 HydrophobicContact CE1-CG2 4.23Å; F345-V395 HydrophobicContact CB-CG1 4.13Å; F345-V395 HydrophobicContact CB-CG2 4.46Å; F345-A398 HydrophobicContact CD1-CB 3.91Å; F345-A398 HydrophobicContact CD2-CB 4.1Å; F345-A398 HydrophobicContact CE1-CB 3.92Å; F345-A398 HydrophobicContact CE2-CB 4.11Å; F345-A398 HydrophobicContact CG-CB 3.99Å; F345-A398 HydrophobicContact CZ-CB 4.02Å; F345-V399 HydrophobicContact CD2-CG2 3.72Å; F345-V399 HydrophobicContact CE2-CG2 4.15Å; F345-R402 HydrophobicContact CE2-CB 4.14Å; F345-R402 HydrophobicContact CZ-CB 4.22Å |
| 346 | M | 91.6 | Very high | 89.2 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 155.1 | 174.2 | 57.8 | 178.1 | -92.6 | 0 | 0 | 110.7 | A348 Q352 A354 | M346-A348 HydrophobicContact CE-CB 4Å; M346-Q352 HydrophobicContact CG-CB 4.28Å; M346-Q352 PolarHBondContact N-O 3.17Å; M346-Q352 PolarHBondContact O-N 3.43Å; M346-A354 HydrophobicContact CB-CB 4.34Å; M346-A354 HydrophobicContact CG-CB 4.11Å; M346-A354 HydrophobicContact SD-CB 4.27Å |
| 347 | T | 90.9 | Very high | 89 | Confident | 117 Ų | 117 | 48.1 Ų | 48.1 | 72% | 0.718 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.7 | 177.9 | -55 | 0 | 0 | 0 | 0 | 110 | V395 | T347-V395 VanDerWaalsContact OG1-CG2 3.29Å; T347-V395 WeakPolarHBondContact OG1-CG2 3.46Å |
| 348 | A | 84.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -150.1 | 83.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | M346 G350 Q352 | M346-A348 HydrophobicContact CE-CB 4Å; A348-G350 VanDerWaalsContact C-N 3.27Å; A348-G350 CarbonylContact C-O 3.58Å; A348-G350 PolarHBondContact N-O 3.06Å; A348-G350 PolarHBondContact O-N 3.26Å; A348-Q352 HydrophobicContact CB-CG 4.19Å; A348-Q352 PolarHBondContact O-NE2 3.26Å |
| 349 | G | 78.6 | Confident | 88.7 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 86% | 0.856 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 67.8 | 26.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 350 | G | 86.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 130.5 | -179.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A348 L393 | A348-G350 VanDerWaalsContact C-N 3.27Å; A348-G350 CarbonylContact C-O 3.58Å; A348-G350 PolarHBondContact N-O 3.06Å; A348-G350 PolarHBondContact O-N 3.26Å; G350-L393 CarbonylContact C-O 3.5Å |
| 351 | A | 89.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 134 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T378 L393 V395 A398 | A351-T378 HydrophobicContact CB-CG2 4.38Å; A351-T378 WeakPolarHBondContact O-CB 3.34Å; A351-T378 VanDerWaalsContact O-CG2 3.27Å; A351-T378 WeakPolarHBondContact O-CG2 3.3Å; A351-L393 WeakPolarHBondContact CB-O 3.05Å; A351-L393 PolarHBondContact N-O 3.14Å; A351-V395 HydrophobicContact CB-CG2 4.31Å; A351-A398 HydrophobicContact CB-CB 3.63Å |
| 352 | Q | 88.9 | Confident | 88.4 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.4 | 169.9 | -66 | -167.5 | 6.2 | 0 | 0 | 109.9 | F345 M346 A348 A354 | F345-Q352 CarbonylContact C-O 3.56Å; F345-Q352 VanDerWaalsContact CA-O 3.24Å; F345-Q352 WeakPolarHBondContact CA-O 3.4Å; M346-Q352 HydrophobicContact CG-CB 4.28Å; M346-Q352 PolarHBondContact N-O 3.17Å; M346-Q352 PolarHBondContact O-N 3.43Å; A348-Q352 HydrophobicContact CB-CG 4.19Å; A348-Q352 PolarHBondContact O-NE2 3.26Å; Q352-A354 PolarHBondContact O-N 3.15Å |
| 353 | V | 90.2 | Very high | 88.2 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 121.5 | 179.4 | -179 | 0 | 0 | 0 | 0 | 110.3 | I343 F345 L359 A374 T378 | I343-V353 HydrophobicContact CG2-CG1 3.99Å; I343-V353 HydrophobicContact CG2-CG2 4.46Å; F345-V353 HydrophobicContact CD1-CG2 4.11Å; F345-V353 HydrophobicContact CE1-CG2 3.88Å; V353-L359 HydrophobicContact CG1-CB 4.34Å; V353-L359 HydrophobicContact CG1-CD2 4.27Å; V353-A374 HydrophobicContact CG2-CB 4.07Å; V353-T378 HydrophobicContact CG2-CG2 4.09Å |
| 354 | A | 88.2 | Confident | 88 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | trans | -84.7 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E344 M346 Q352 K356 | E344-A354 HydrophobicContact CB-CB 4.38Å; E344-A354 PolarHBondContact O-N 3.37Å; M346-A354 HydrophobicContact CB-CB 4.34Å; M346-A354 HydrophobicContact CG-CB 4.11Å; M346-A354 HydrophobicContact SD-CB 4.27Å; Q352-A354 PolarHBondContact O-N 3.15Å; A354-K356 PolarHBondContact O-N 2.87Å | ||
| 355 | S | 85.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | trans | -97.2 | 86.8 | -172.4 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | N342 I343 E344 S357 L359 | N342-S355 PolarHBondContact O-OG 3.18Å; I343-S355 WeakPolarHBondContact CA-OG 3.29Å; E344-S355 PolarHBondContact N-OG 3.16Å; S355-S357 VanDerWaalsContact C-N 3.32Å; S355-S357 PolarHBondContact O-N 2.79Å; S355-L359 PolarHBondContact O-N 3.27Å | ||
| 356 | K | 84.8 | Confident | 87.4 | Confident | 170 Ų | 170 | 52.2 Ų | 52.2 | 74% | 0.739 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.9 | -30.7 | -179.2 | -66.1 | -173.4 | 179 | -175.8 | 0 | 114.2 | A354 S360 | A354-K356 PolarHBondContact O-N 2.87Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.45Å |
| 357 | S | 87.4 | Confident | 87 | Confident | 84 Ų | 84 | 48 Ų | 48 | 59% | 0.587 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.2 | -48.4 | 179.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | S355 L359 S360 W361 | S355-S357 VanDerWaalsContact C-N 3.32Å; S355-S357 PolarHBondContact O-N 2.79Å; S357-L359 VanDerWaalsContact C-N 3.3Å; S357-L359 PolarHBondContact O-N 2.81Å; S357-S360 PolarHBondContact O-N 2.8Å; S357-W361 VanDerWaalsContact O-CD1 3.27Å; S357-W361 PolarHBondContact O-N 3.14Å |
| 358 | A | 86.9 | Confident | 86.6 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N342 I343 T362 | N342-A358 HydrophobicContact CB-CB 3.91Å; I343-A358 HydrophobicContact CG1-CB 4.26Å; A358-T362 WeakPolarHBondContact O-CB 3.4Å; A358-T362 PolarHBondContact O-N 3.14Å; A358-T362 PolarHBondContact O-OG1 2.95Å |
| 359 | L | 89.5 | Confident | 86.7 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.2 | -173.6 | 75.9 | 0 | 0 | 0 | 111.4 | I343 V353 S355 S357 W361 T362 S363 S370 L373 A374 | I343-L359 HydrophobicContact CD1-CD1 4.06Å; V353-L359 HydrophobicContact CG1-CB 4.34Å; V353-L359 HydrophobicContact CG1-CD2 4.27Å; S355-L359 PolarHBondContact O-N 3.27Å; S357-L359 VanDerWaalsContact C-N 3.3Å; S357-L359 PolarHBondContact O-N 2.81Å; L359-W361 PolarHBondContact O-N 3.06Å; L359-T362 PolarHBondContact O-N 3.35Å; L359-S363 WeakPolarHBondContact O-CB 3.34Å; L359-S363 PolarHBondContact O-N 3.17Å; L359-S363 PolarHBondContact O-OG 3.28Å; L359-S363 VanDerWaalsContact O-OG 3.1Å; L359-S370 WeakPolarHBondContact CD2-OG 3.33Å; L359-L373 HydrophobicContact CD1-CB 4.26Å; L359-L373 HydrophobicContact CD1-CD2 3.74Å; L359-L373 HydrophobicContact CD1-CG 3.8Å; L359-A374 HydrophobicContact CD2-CB 3.85Å |
| 360 | S | 89.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 43% | 0.427 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 178.6 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | K356 S357 S363 E364 | K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.45Å; S357-S360 PolarHBondContact O-N 2.8Å; S360-S363 PolarHBondContact O-N 2.71Å; S360-E364 WeakPolarHBondContact O-CB 3.34Å; S360-E364 PolarHBondContact O-N 3Å |
| 361 | W | 88.1 | Confident | 87.2 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177 | -81.8 | 112.4 | 0 | 0 | 0 | 112.3 | H339 S357 L359 E364 L365 | H339-W361 HydrophobicContact CB-CB 4.25Å; S357-W361 VanDerWaalsContact O-CD1 3.27Å; S357-W361 PolarHBondContact O-N 3.14Å; L359-W361 PolarHBondContact O-N 3.06Å; W361-E364 PolarHBondContact O-N 2.9Å; W361-L365 WeakPolarHBondContact O-CB 3.47Å; W361-L365 VanDerWaalsContact O-CG 3.24Å; W361-L365 WeakPolarHBondContact O-CG 3.44Å; W361-L365 PolarHBondContact O-N 3.22Å |
| 362 | T | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 177.8 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | H339 A340 I343 A358 L359 L366 L373 | H339-T362 VanDerWaalsContact C-OG1 3.25Å; A340-T362 WeakPolarHBondContact CA-OG1 3.36Å; A340-T362 HydrophobicContact CB-CG2 3.83Å; A340-T362 PolarHBondContact N-OG1 3.35Å; A340-T362 VanDerWaalsContact N-OG1 3.17Å; I343-T362 HydrophobicContact CD1-CG2 4.35Å; A358-T362 WeakPolarHBondContact O-CB 3.4Å; A358-T362 PolarHBondContact O-N 3.14Å; A358-T362 PolarHBondContact O-OG1 2.95Å; L359-T362 PolarHBondContact O-N 3.35Å; T362-L366 HydrophobicContact CG2-CD1 3.74Å; T362-L366 HydrophobicContact CG2-CG 4.43Å; T362-L366 VanDerWaalsContact O-CB 3.31Å; T362-L366 WeakPolarHBondContact O-CB 3.06Å; T362-L366 VanDerWaalsContact O-CG 3.32Å; T362-L366 WeakPolarHBondContact O-CG 3.47Å; T362-L366 PolarHBondContact O-N 3.43Å; T362-L373 HydrophobicContact CG2-CD2 3.95Å |
| 363 | S | 88 | Confident | 86.9 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 178 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | L359 S360 G367 L368 S370 L373 | L359-S363 WeakPolarHBondContact O-CB 3.34Å; L359-S363 PolarHBondContact O-N 3.17Å; L359-S363 PolarHBondContact O-OG 3.28Å; L359-S363 VanDerWaalsContact O-OG 3.1Å; S360-S363 PolarHBondContact O-N 2.71Å; S363-G367 PolarHBondContact O-N 3.1Å; S363-L368 CarbonylContact C-O 3.56Å; S363-L368 WeakPolarHBondContact CB-O 3.22Å; S363-L368 PolarHBondContact O-N 2.77Å; S363-S370 WeakPolarHBondContact OG-CA 3.37Å; S363-L373 VanDerWaalsContact OG-CD2 3.28Å; S363-L373 WeakPolarHBondContact OG-CD2 3.49Å |
| 364 | E | 86.7 | Confident | 86.9 | Confident | 118 Ų | 118 | 48.5 Ų | 48.5 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 177.8 | -175.7 | 176.2 | 179.2 | 0 | 0 | 111.9 | R332 S360 W361 G367 | R332-E364 PolarHBondContact NH2-O 3.38Å; S360-E364 WeakPolarHBondContact O-CB 3.34Å; S360-E364 PolarHBondContact O-N 3Å; W361-E364 PolarHBondContact O-N 2.9Å; E364-G367 PolarHBondContact O-N 2.88Å |
| 365 | L | 85.5 | Confident | 86.9 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.9 | -35.3 | -178.2 | -68.6 | 170.2 | 0 | 0 | 0 | 112.6 | F280 R332 A335 H339 W361 | F280-L365 HydrophobicContact CD1-CD2 3.95Å; R332-L365 WeakPolarHBondContact CD-O 3.43Å; R332-L365 HydrophobicContact CG-CB 4.35Å; R332-L365 HydrophobicContact CG-CD2 3.89Å; R332-L365 WeakPolarHBondContact CG-O 3.38Å; R332-L365 PolarHBondContact NE-O 2.99Å; A335-L365 HydrophobicContact CB-CD1 3.99Å; H339-L365 VanDerWaalsContact CD2-CD1 3.49Å; H339-L365 WeakPolarHBondContact CD2-CD1 3.28Å; W361-L365 WeakPolarHBondContact O-CB 3.47Å; W361-L365 VanDerWaalsContact O-CG 3.24Å; W361-L365 WeakPolarHBondContact O-CG 3.44Å; W361-L365 PolarHBondContact O-N 3.22Å |
| 366 | L | 84.9 | Confident | 87 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -88.2 | -3.8 | 177.9 | -61.9 | 179.1 | 0 | 0 | 0 | 113.7 | T362 L368 L409 S586 | T362-L366 HydrophobicContact CG2-CD1 3.74Å; T362-L366 HydrophobicContact CG2-CG 4.43Å; T362-L366 VanDerWaalsContact O-CB 3.31Å; T362-L366 WeakPolarHBondContact O-CB 3.06Å; T362-L366 VanDerWaalsContact O-CG 3.32Å; T362-L366 WeakPolarHBondContact O-CG 3.47Å; T362-L366 PolarHBondContact O-N 3.43Å; L366-L368 HydrophobicContact CB-CD1 3.69Å; L366-L368 HydrophobicContact CB-CG 3.84Å; L366-L368 HydrophobicContact CD1-CD1 3.98Å; L366-L409 HydrophobicContact CD1-CD1 3.82Å; L366-L409 HydrophobicContact CD2-CD1 4.11Å; L366-L409 HydrophobicContact CD2-CD2 4.37Å; L366-S586 PolarHBondContact O-OG 2.93Å |
| 367 | G | 82.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 34.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S363 E364 S586 R587 | S363-G367 PolarHBondContact O-N 3.1Å; E364-G367 PolarHBondContact O-N 2.88Å; G367-S586 WeakPolarHBondContact O-CA 3.47Å; G367-R587 CarbonylContact C-O 3.51Å; G367-R587 VanDerWaalsContact CA-O 3.3Å; G367-R587 WeakPolarHBondContact CA-O 3.42Å; G367-R587 CarbonylContact O-C 3.53Å; G367-R587 PolarHBondContact O-N 3.03Å |
| 368 | L | 84.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | trans | -110.2 | 157.3 | -177.3 | -57.4 | 171.8 | 0 | 0 | 0 | 110.5 | S363 L366 L373 M582 L583 | S363-L368 CarbonylContact C-O 3.56Å; S363-L368 WeakPolarHBondContact CB-O 3.22Å; S363-L368 PolarHBondContact O-N 2.77Å; L366-L368 HydrophobicContact CB-CD1 3.69Å; L366-L368 HydrophobicContact CB-CG 3.84Å; L366-L368 HydrophobicContact CD1-CD1 3.98Å; L368-L373 HydrophobicContact CD1-CD1 4.38Å; L368-M582 HydrophobicContact CB-SD 4.47Å; L368-M582 HydrophobicContact CD1-SD 3.84Å; L368-M582 HydrophobicContact CD2-CG 4.15Å; L368-M582 WeakPolarHBondContact CD2-O 3.33Å; L368-M582 HydrophobicContact CD2-SD 4.16Å; L368-M582 HydrophobicContact CG-SD 4.38Å; L368-L583 HydrophobicContact CD1-CD2 4.11Å | ||
| 369 | N | 86.6 | Confident | 87.2 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 41% | 0.412 | 22% | 0.219 | S | C | . | . | trans | -77.1 | 130.5 | 170 | -175 | -32.5 | 0 | 0 | 0 | 110.1 | E371 Q372 L373 | N369-E371 VanDerWaalsContact C-N 3.33Å; N369-E371 PolarHBondContact O-N 2.94Å; N369-E371 PolarHBondContact OD1-N 3.33Å; N369-Q372 HydrophobicContact CB-CB 4.1Å; N369-Q372 HydrophobicContact CB-CG 4.02Å; N369-Q372 PolarHBondContact O-N 3.21Å; N369-L373 WeakPolarHBondContact O-CB 3.44Å; N369-L373 PolarHBondContact O-N 3.4Å | ||
| 370 | S | 87.5 | Confident | 86.8 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -35.5 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 114 | L359 S363 A374 | L359-S370 WeakPolarHBondContact CD2-OG 3.33Å; S363-S370 WeakPolarHBondContact OG-CA 3.37Å; S370-A374 PolarHBondContact O-N 3.49Å; S370-A374 VanDerWaalsContact O-N 3.12Å |
| 371 | E | 87.1 | Confident | 86.3 | Confident | 156 Ų | 156 | 46.9 Ų | 46.9 | 73% | 0.729 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -73 | -44.9 | -179.2 | -64.6 | -177.7 | 170.2 | 0 | 0 | 110.7 | N369 L373 A374 E375 | N369-E371 VanDerWaalsContact C-N 3.33Å; N369-E371 PolarHBondContact O-N 2.94Å; N369-E371 PolarHBondContact OD1-N 3.33Å; E371-L373 VanDerWaalsContact C-N 3.33Å; E371-L373 PolarHBondContact O-N 2.82Å; E371-A374 PolarHBondContact O-N 3.08Å; E371-E375 PolarHBondContact O-N 3.46Å |
| 372 | Q | 85.6 | Confident | 85.6 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.8 | -65.3 | 179.1 | -32.6 | 0 | 0 | 111.7 | N369 E375 V376 | N369-Q372 HydrophobicContact CB-CB 4.1Å; N369-Q372 HydrophobicContact CB-CG 4.02Å; N369-Q372 PolarHBondContact O-N 3.21Å; Q372-E375 PolarHBondContact O-N 2.72Å; Q372-V376 WeakPolarHBondContact O-CG2 3.4Å; Q372-V376 PolarHBondContact O-N 3.1Å |
| 373 | L | 87.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.1 | -178.1 | 60.8 | 0 | 0 | 0 | 111.6 | L359 T362 S363 L368 N369 E371 L377 M405 M582 | L359-L373 HydrophobicContact CD1-CB 4.26Å; L359-L373 HydrophobicContact CD1-CD2 3.74Å; L359-L373 HydrophobicContact CD1-CG 3.8Å; T362-L373 HydrophobicContact CG2-CD2 3.95Å; S363-L373 VanDerWaalsContact OG-CD2 3.28Å; S363-L373 WeakPolarHBondContact OG-CD2 3.49Å; L368-L373 HydrophobicContact CD1-CD1 4.38Å; N369-L373 WeakPolarHBondContact O-CB 3.44Å; N369-L373 PolarHBondContact O-N 3.4Å; E371-L373 VanDerWaalsContact C-N 3.33Å; E371-L373 PolarHBondContact O-N 2.82Å; L373-L377 HydrophobicContact CD1-CD1 3.86Å; L373-L377 HydrophobicContact CD1-CG 4.09Å; L373-L377 HydrophobicContact CG-CD1 3.98Å; L373-L377 WeakPolarHBondContact O-CB 3.5Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 2.93Å; L373-M405 HydrophobicContact CD1-CE 4.19Å; L373-M405 HydrophobicContact CD1-SD 3.97Å; L373-M582 HydrophobicContact CB-CE 4.36Å; L373-M582 HydrophobicContact CB-SD 4.18Å; L373-M582 HydrophobicContact CD1-CE 3.81Å; L373-M582 HydrophobicContact CD1-SD 3.69Å |
| 374 | A | 89.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V353 L359 S370 E371 V376 L377 T378 | V353-A374 HydrophobicContact CG2-CB 4.07Å; L359-A374 HydrophobicContact CD2-CB 3.85Å; S370-A374 PolarHBondContact O-N 3.49Å; S370-A374 VanDerWaalsContact O-N 3.12Å; E371-A374 PolarHBondContact O-N 3.08Å; A374-V376 PolarHBondContact O-N 2.91Å; A374-L377 PolarHBondContact O-N 2.94Å; A374-T378 WeakPolarHBondContact O-CG2 3.33Å; A374-T378 PolarHBondContact O-N 3.46Å; A374-T378 PolarHBondContact O-OG1 3.24Å |
| 375 | E | 88.2 | Confident | 83.6 | Confident | 110 Ų | 110 | 62.6 Ų | 62.6 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | -176.3 | -173.3 | 177.1 | -174.9 | 0 | 0 | 112.4 | E371 Q372 L377 T378 H379 | E371-E375 PolarHBondContact O-N 3.46Å; Q372-E375 PolarHBondContact O-N 2.72Å; E375-L377 PolarHBondContact O-N 3.28Å; E375-T378 PolarHBondContact O-N 3.04Å; E375-T378 PolarHBondContact O-OG1 2.93Å; E375-H379 WeakPolarHBondContact O-CA 3.26Å; E375-H379 WeakPolarHBondContact O-CB 3.33Å; E375-H379 PolarHBondContact O-N 3.47Å; E375-H379 PolarHBondContact O-ND1 3.06Å |
| 376 | V | 87.3 | Confident | 83 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.4 | -33 | -179 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | Q372 A374 T378 R576 D578 I579 M582 | Q372-V376 WeakPolarHBondContact O-CG2 3.4Å; Q372-V376 PolarHBondContact O-N 3.1Å; A374-V376 PolarHBondContact O-N 2.91Å; V376-T378 VanDerWaalsContact C-N 3.31Å; V376-R576 PolarHBondContact O-NH1 3.41Å; V376-R576 PolarHBondContact O-NH2 3.48Å; V376-R576 VanDerWaalsContact O-NH2 3.08Å; V376-D578 HydrophobicContact CG1-CB 3.72Å; V376-I579 HydrophobicContact CG1-CB 4.44Å; V376-I579 HydrophobicContact CG1-CG1 3.66Å; V376-M582 HydrophobicContact CB-CE 3.24Å; V376-M582 HydrophobicContact CG1-CE 3.56Å; V376-M582 HydrophobicContact CG2-CE 3.45Å; V376-M582 VanDerWaalsContact CG2-CE 3.45Å |
| 377 | L | 88.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71 | -28.3 | 175.6 | -71.5 | 176 | 0 | 0 | 0 | 112.1 | I343 F345 L373 A374 E375 A398 R402 | I343-L377 HydrophobicContact CD1-CD1 4.16Å; F345-L377 HydrophobicContact CE1-CB 4.08Å; F345-L377 HydrophobicContact CZ-CB 4.18Å; F345-L377 HydrophobicContact CZ-CD1 4.36Å; L373-L377 HydrophobicContact CD1-CD1 3.86Å; L373-L377 HydrophobicContact CD1-CG 4.09Å; L373-L377 HydrophobicContact CG-CD1 3.98Å; L373-L377 WeakPolarHBondContact O-CB 3.5Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 2.93Å; A374-L377 PolarHBondContact O-N 2.94Å; E375-L377 PolarHBondContact O-N 3.28Å; L377-A398 WeakPolarHBondContact O-CA 3.4Å; L377-A398 WeakPolarHBondContact O-CB 3.48Å; L377-R402 HydrophobicContact CD2-CB 4.28Å |
| 378 | T | 89.3 | Confident | 82.5 | Confident | 9 Ų | 9 | 78.6 Ų | 78.6 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -104.6 | -20.3 | -176.1 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | F345 A351 V353 A374 E375 V376 L393 | F345-T378 HydrophobicContact CD1-CG2 4.24Å; F345-T378 HydrophobicContact CE1-CG2 4.23Å; A351-T378 HydrophobicContact CB-CG2 4.38Å; A351-T378 WeakPolarHBondContact O-CB 3.34Å; A351-T378 VanDerWaalsContact O-CG2 3.27Å; A351-T378 WeakPolarHBondContact O-CG2 3.3Å; V353-T378 HydrophobicContact CG2-CG2 4.09Å; A374-T378 WeakPolarHBondContact O-CG2 3.33Å; A374-T378 PolarHBondContact O-N 3.46Å; A374-T378 PolarHBondContact O-OG1 3.24Å; E375-T378 PolarHBondContact O-N 3.04Å; E375-T378 PolarHBondContact O-OG1 2.93Å; V376-T378 VanDerWaalsContact C-N 3.31Å; T378-L393 VanDerWaalsContact O-CB 3.3Å; T378-L393 WeakPolarHBondContact O-CB 3.34Å; T378-L393 WeakPolarHBondContact O-CG 3.07Å; T378-L393 PolarHBondContact O-N 2.94Å |
| 379 | H | 86.1 | Confident | 82.4 | Confident | 66 Ų | 66 | 81.3 Ų | 81.3 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.9 | 179.6 | -58.8 | 90.5 | 0 | 0 | 0 | 110.2 | E375 T391 R576 | E375-H379 WeakPolarHBondContact O-CA 3.26Å; E375-H379 WeakPolarHBondContact O-CB 3.33Å; E375-H379 PolarHBondContact O-N 3.47Å; E375-H379 PolarHBondContact O-ND1 3.06Å; H379-T391 CarbonylContact C-O 3.59Å; H379-T391 VanDerWaalsContact CA-O 3.29Å; H379-T391 WeakPolarHBondContact CA-O 2.94Å; H379-R576 PolarHBondContact O-NH2 3.4Å |
| 380 | R | 82.1 | Confident | 82.1 | Confident | 122 Ų | 122 | 81.1 Ų | 81.1 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.4 | 170 | 178.2 | -179 | -176.2 | 177.9 | 2.4 | 109.7 | S390 T391 L393 R576 | R380-S390 CarbonylContact O-C 3.49Å; R380-S390 WeakPolarHBondContact O-CA 3.35Å; R380-T391 PolarHBondContact N-O 2.87Å; R380-T391 PolarHBondContact O-N 3.22Å; R380-T391 PolarHBondContact O-OG1 2.87Å; R380-T391 VanDerWaalsContact O-OG1 3.08Å; R380-L393 HydrophobicContact CB-CD2 3.93Å; R380-L393 HydrophobicContact CB-CG 4.44Å; R380-R576 VanDerWaalsContact CA-NH2 3.32Å |
| 381 | S | 78.4 | Confident | 82 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 24% | 0.238 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 139.8 | 171 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | E388 I389 D578 | S381-E388 WeakPolarHBondContact CB-OE1 2.93Å; S381-E388 PolarHBondContact OG-OE1 3.06Å; S381-I389 CarbonylContact C-O 3.57Å; S381-I389 WeakPolarHBondContact CA-O 3.4Å; S381-D578 PolarHBondContact N-OD2 2.89Å; S381-D578 PolarHBondContact OG-OD1 3.23Å |
| 382 | M | 73.4 | Confident | 82 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 123 | 175.7 | -168.2 | 176.4 | -174.8 | 0 | 0 | 108.7 | L384 I389 | M382-L384 HydrophobicContact CE-CD2 4.03Å; M382-L384 HydrophobicContact CE-CG 4.34Å; M382-L384 HydrophobicContact CG-CD1 4.46Å; M382-L384 HydrophobicContact CG-CG 4.17Å; M382-L384 PolarHBondContact O-N 3.29Å; M382-L384 HydrophobicContact SD-CD1 4.09Å; M382-L384 HydrophobicContact SD-CG 4.22Å; M382-I389 PolarHBondContact N-O 3.32Å; M382-I389 PolarHBondContact O-N 3.31Å |
| 383 | I | 74.6 | Confident | 82 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 103 | 177.5 | -57.5 | 171.3 | 0 | 0 | 0 | 108 | E387 | I383-E387 CarbonylContact C-O 3.52Å; I383-E387 WeakPolarHBondContact CA-O 3.41Å |
| 384 | L | 75.6 | Confident | 82 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 45% | 0.45 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.1 | 175.4 | -78.4 | 165.6 | 0 | 0 | 0 | 108.6 | M382 G386 E387 I389 | M382-L384 HydrophobicContact CE-CD2 4.03Å; M382-L384 HydrophobicContact CE-CG 4.34Å; M382-L384 HydrophobicContact CG-CD1 4.46Å; M382-L384 HydrophobicContact CG-CG 4.17Å; M382-L384 PolarHBondContact O-N 3.29Å; M382-L384 HydrophobicContact SD-CD1 4.09Å; M382-L384 HydrophobicContact SD-CG 4.22Å; L384-G386 PolarHBondContact O-N 2.99Å; L384-G386 VanDerWaalsContact O-N 3.16Å; L384-E387 PolarHBondContact N-O 2.92Å; L384-E387 PolarHBondContact O-N 2.97Å; L384-E387 VanDerWaalsContact O-N 3.16Å; L384-I389 HydrophobicContact CB-CD1 4.29Å; L384-I389 HydrophobicContact CD1-CD1 4.05Å |
| 385 | R | 72.4 | Confident | 82 | Confident | 259 Ų | 259 | 79.3 Ų | 79.3 | 98% | 0.977 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 28.7 | 178.1 | -56.5 | -179.8 | 177.2 | -179.1 | -0.1 | 114.9 | ||
| 386 | G | 72.9 | Confident | 81.8 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 71% | 0.711 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -4.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L384 | L384-G386 PolarHBondContact O-N 2.99Å; L384-G386 VanDerWaalsContact O-N 3.16Å |
| 387 | E | 77.7 | Confident | 81.6 | Confident | 144 Ų | 144 | 84.4 Ų | 84.4 | 67% | 0.673 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.2 | 171.7 | -66.3 | -179.6 | 171.9 | 0 | 0 | 110.1 | I383 L384 | I383-E387 CarbonylContact C-O 3.52Å; I383-E387 WeakPolarHBondContact CA-O 3.41Å; L384-E387 PolarHBondContact N-O 2.92Å; L384-E387 PolarHBondContact O-N 2.97Å; L384-E387 VanDerWaalsContact O-N 3.16Å |
| 388 | E | 78.7 | Confident | 81.5 | Confident | 138 Ų | 138 | 84.4 Ų | 84.4 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.5 | 175.9 | -173.2 | 170.1 | -160.6 | 0 | 0 | 109.8 | S381 | S381-E388 WeakPolarHBondContact CB-OE1 2.93Å; S381-E388 PolarHBondContact OG-OE1 3.06Å |
| 389 | I | 81.8 | Confident | 81.5 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119 | 177.3 | -59 | 179.7 | 0 | 0 | 0 | 108.2 | S381 M382 L384 T391 | S381-I389 CarbonylContact C-O 3.57Å; S381-I389 WeakPolarHBondContact CA-O 3.4Å; M382-I389 PolarHBondContact N-O 3.32Å; M382-I389 PolarHBondContact O-N 3.31Å; L384-I389 HydrophobicContact CB-CD1 4.29Å; L384-I389 HydrophobicContact CD1-CD1 4.05Å; I389-T391 HydrophobicContact CG2-CG2 4.27Å |
| 390 | S | 80.1 | Confident | 81.2 | Confident | 72 Ų | 72 | 84.5 Ų | 84.5 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.1 | 172 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | R380 | R380-S390 CarbonylContact O-C 3.49Å; R380-S390 WeakPolarHBondContact O-CA 3.35Å |
| 391 | T | 85.8 | Confident | 81.3 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.3 | 179.1 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | H379 R380 I389 | H379-T391 CarbonylContact C-O 3.59Å; H379-T391 VanDerWaalsContact CA-O 3.29Å; H379-T391 WeakPolarHBondContact CA-O 2.94Å; R380-T391 PolarHBondContact N-O 2.87Å; R380-T391 PolarHBondContact O-N 3.22Å; R380-T391 PolarHBondContact O-OG1 2.87Å; R380-T391 VanDerWaalsContact O-OG1 3.08Å; I389-T391 HydrophobicContact CG2-CG2 4.27Å |
| 392 | P | 87.3 | Confident | 81.8 | Confident | 75 Ų | 75 | 78 Ų | 78 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 140.6 | 178.2 | 28.2 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 393 | L | 86.2 | Confident | 82.4 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.073 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 159.5 | 178.8 | -63.5 | 170.9 | 0 | 0 | 0 | 111.2 | G350 A351 T378 R380 Q397 | G350-L393 CarbonylContact C-O 3.5Å; A351-L393 WeakPolarHBondContact CB-O 3.05Å; A351-L393 PolarHBondContact N-O 3.14Å; T378-L393 VanDerWaalsContact O-CB 3.3Å; T378-L393 WeakPolarHBondContact O-CB 3.34Å; T378-L393 WeakPolarHBondContact O-CG 3.07Å; T378-L393 PolarHBondContact O-N 2.94Å; R380-L393 HydrophobicContact CB-CD2 3.93Å; R380-L393 HydrophobicContact CB-CG 4.44Å; L393-Q397 HydrophobicContact CB-CB 4.11Å; L393-Q397 HydrophobicContact CD2-CB 4.21Å |
| 394 | T | 87.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 161 | 165.4 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | E396 Q397 A398 | T394-E396 VanDerWaalsContact C-N 3.26Å; T394-E396 PolarHBondContact O-N 3.41Å; T394-Q397 PolarHBondContact O-N 3.07Å; T394-Q397 WeakPolarHBondContact OG1-CB 3.48Å; T394-Q397 WeakPolarHBondContact OG1-CG 3.5Å; T394-Q397 PolarHBondContact OG1-N 3.41Å; T394-Q397 PolarHBondContact OG1-OE1 3.27Å; T394-A398 PolarHBondContact O-N 3.31Å |
| 395 | V | 88.7 | Confident | 83.2 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | F345 T347 A351 A398 V399 | F345-V395 HydrophobicContact CB-CG1 4.13Å; F345-V395 HydrophobicContact CB-CG2 4.46Å; T347-V395 VanDerWaalsContact OG1-CG2 3.29Å; T347-V395 WeakPolarHBondContact OG1-CG2 3.46Å; A351-V395 HydrophobicContact CB-CG2 4.31Å; V395-A398 PolarHBondContact O-N 3.01Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 3.33Å |
| 396 | E | 84 | Confident | 84 | Confident | 150 Ų | 150 | 54 Ų | 54 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.7 | -50.5 | 177.2 | -64.8 | -179.7 | 171.2 | 0 | 0 | 111 | T394 A398 V399 D400 | T394-E396 VanDerWaalsContact C-N 3.26Å; T394-E396 PolarHBondContact O-N 3.41Å; E396-A398 VanDerWaalsContact C-N 3.27Å; E396-A398 PolarHBondContact O-N 3.01Å; E396-V399 WeakPolarHBondContact O-CB 3.44Å; E396-V399 PolarHBondContact O-N 3.14Å; E396-V399 VanDerWaalsContact O-N 3.11Å; E396-D400 VanDerWaalsContact O-CG 3.29Å; E396-D400 PolarHBondContact O-N 3.36Å; E396-D400 VanDerWaalsContact O-OD2 3.13Å |
| 397 | Q | 82.7 | Confident | 84.4 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -32.1 | 177.7 | -71.1 | 167.2 | -27.5 | 0 | 0 | 113.6 | L393 T394 S401 | L393-Q397 HydrophobicContact CB-CB 4.11Å; L393-Q397 HydrophobicContact CD2-CB 4.21Å; T394-Q397 PolarHBondContact O-N 3.07Å; T394-Q397 WeakPolarHBondContact OG1-CB 3.48Å; T394-Q397 WeakPolarHBondContact OG1-CG 3.5Å; T394-Q397 PolarHBondContact OG1-N 3.41Å; T394-Q397 PolarHBondContact OG1-OE1 3.27Å; Q397-S401 WeakPolarHBondContact O-CB 3.43Å; Q397-S401 PolarHBondContact O-N 3.29Å; Q397-S401 PolarHBondContact O-OG 3.25Å |
| 398 | A | 86.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F345 A351 L377 T394 V395 E396 S401 R402 | F345-A398 HydrophobicContact CD1-CB 3.91Å; F345-A398 HydrophobicContact CD2-CB 4.1Å; F345-A398 HydrophobicContact CE1-CB 3.92Å; F345-A398 HydrophobicContact CE2-CB 4.11Å; F345-A398 HydrophobicContact CG-CB 3.99Å; F345-A398 HydrophobicContact CZ-CB 4.02Å; A351-A398 HydrophobicContact CB-CB 3.63Å; L377-A398 WeakPolarHBondContact O-CA 3.4Å; L377-A398 WeakPolarHBondContact O-CB 3.48Å; T394-A398 PolarHBondContact O-N 3.31Å; V395-A398 PolarHBondContact O-N 3.01Å; E396-A398 VanDerWaalsContact C-N 3.27Å; E396-A398 PolarHBondContact O-N 3.01Å; A398-S401 WeakPolarHBondContact O-CB 3.43Å; A398-S401 PolarHBondContact O-N 3.12Å; A398-R402 PolarHBondContact O-N 2.8Å |
| 399 | V | 87.5 | Confident | 84.9 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 171.6 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | F345 V395 E396 S401 R402 D403 | F345-V399 HydrophobicContact CD2-CG2 3.72Å; F345-V399 HydrophobicContact CE2-CG2 4.15Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 3.33Å; E396-V399 WeakPolarHBondContact O-CB 3.44Å; E396-V399 PolarHBondContact O-N 3.14Å; E396-V399 VanDerWaalsContact O-N 3.11Å; V399-S401 VanDerWaalsContact C-N 3.28Å; V399-S401 PolarHBondContact O-N 3.16Å; V399-R402 WeakPolarHBondContact O-CB 3.38Å; V399-R402 PolarHBondContact O-N 3.48Å; V399-D403 WeakPolarHBondContact O-CB 3.4Å; V399-D403 VanDerWaalsContact O-CG 3.32Å; V399-D403 PolarHBondContact O-N 3.35Å |
| 400 | D | 81.4 | Confident | 85.2 | Confident | 44 Ų | 44 | 36.5 Ų | 36.5 | 24% | 0.235 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -34.1 | 178.7 | -62 | -34.5 | 0 | 0 | 0 | 111.7 | R253 E396 S404 | R253-D400 IonicContact NH2-OD1 3.59Å; E396-D400 VanDerWaalsContact O-CG 3.29Å; E396-D400 PolarHBondContact O-N 3.36Å; E396-D400 VanDerWaalsContact O-OD2 3.13Å; D400-S404 WeakPolarHBondContact O-CB 3.45Å; D400-S404 PolarHBondContact O-N 3.14Å; D400-S404 PolarHBondContact O-OG 3.39Å |
| 401 | S | 83.7 | Confident | 85.2 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 173.5 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | Q397 A398 V399 S404 M405 R576 I579 | Q397-S401 WeakPolarHBondContact O-CB 3.43Å; Q397-S401 PolarHBondContact O-N 3.29Å; Q397-S401 PolarHBondContact O-OG 3.25Å; A398-S401 WeakPolarHBondContact O-CB 3.43Å; A398-S401 PolarHBondContact O-N 3.12Å; V399-S401 VanDerWaalsContact C-N 3.28Å; V399-S401 PolarHBondContact O-N 3.16Å; S401-S404 PolarHBondContact O-N 2.83Å; S401-M405 PolarHBondContact O-N 3.4Å; S401-R576 WeakPolarHBondContact OG-CD 3.33Å; S401-R576 PolarHBondContact OG-NH1 3.31Å; S401-I579 WeakPolarHBondContact O-CD1 3.49Å |
| 402 | R | 89.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 174.9 | 175.2 | -156.9 | 74.9 | 175.9 | 4.9 | 111.5 | A340 G341 I343 F345 L377 A398 V399 S404 M405 A406 | A340-R402 WeakPolarHBondContact O-CD 3.3Å; A340-R402 WeakPolarHBondContact O-CG 2.9Å; G341-R402 PolarHBondContact O-NH1 3.08Å; I343-R402 PolarHBondContact O-NH1 2.66Å; F345-R402 HydrophobicContact CE2-CB 4.14Å; F345-R402 HydrophobicContact CZ-CB 4.22Å; L377-R402 HydrophobicContact CD2-CB 4.28Å; A398-R402 PolarHBondContact O-N 2.8Å; V399-R402 WeakPolarHBondContact O-CB 3.38Å; V399-R402 PolarHBondContact O-N 3.48Å; R402-S404 VanDerWaalsContact C-N 3.34Å; R402-M405 WeakPolarHBondContact O-CB 3.32Å; R402-M405 PolarHBondContact O-N 3.04Å; R402-A406 PolarHBondContact O-N 2.82Å |
| 403 | D | 85.9 | Confident | 85 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | -179.5 | -72.6 | 2.7 | 0 | 0 | 0 | 110 | V252 R253 Y290 V399 M405 A406 M407 | V252-D403 HydrophobicContact CB-CB 4.11Å; V252-D403 HydrophobicContact CG1-CB 3.9Å; V252-D403 HydrophobicContact CG2-CB 4.21Å; R253-D403 IonicContact NE-OD2 3.15Å; R253-D403 IonicContact NH2-OD2 2.97Å; Y290-D403 PolarHBondContact OH-OD1 3.49Å; V399-D403 WeakPolarHBondContact O-CB 3.4Å; V399-D403 VanDerWaalsContact O-CG 3.32Å; V399-D403 PolarHBondContact O-N 3.35Å; D403-M405 VanDerWaalsContact C-N 3.33Å; D403-M405 PolarHBondContact O-N 3.4Å; D403-A406 PolarHBondContact O-N 2.9Å; D403-M407 WeakPolarHBondContact O-CB 3.29Å; D403-M407 VanDerWaalsContact O-CG 3.27Å; D403-M407 WeakPolarHBondContact O-CG 3.43Å; D403-M407 PolarHBondContact O-N 3.39Å |
| 404 | S | 81.3 | Confident | 85 | Confident | 27 Ų | 27 | 29.7 Ų | 29.7 | 19% | 0.189 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | D400 S401 R402 A408 | D400-S404 WeakPolarHBondContact O-CB 3.45Å; D400-S404 PolarHBondContact O-N 3.14Å; D400-S404 PolarHBondContact O-OG 3.39Å; S401-S404 PolarHBondContact O-N 2.83Å; R402-S404 VanDerWaalsContact C-N 3.34Å; S404-A408 WeakPolarHBondContact O-CB 3.31Å; S404-A408 PolarHBondContact O-N 3.44Å |
| 405 | M | 85.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 173.4 | -174.2 | 179.7 | 67.8 | 0 | 0 | 111.8 | A340 L373 S401 R402 D403 M407 A408 L409 I579 | A340-M405 HydrophobicContact CB-CE 4.22Å; L373-M405 HydrophobicContact CD1-CE 4.19Å; L373-M405 HydrophobicContact CD1-SD 3.97Å; S401-M405 PolarHBondContact O-N 3.4Å; R402-M405 WeakPolarHBondContact O-CB 3.32Å; R402-M405 PolarHBondContact O-N 3.04Å; D403-M405 VanDerWaalsContact C-N 3.33Å; D403-M405 PolarHBondContact O-N 3.4Å; M405-M407 PolarHBondContact O-N 3.5Å; M405-A408 PolarHBondContact O-N 3.04Å; M405-L409 HydrophobicContact CG-CD1 4.01Å; M405-L409 WeakPolarHBondContact O-CB 3.29Å; M405-L409 WeakPolarHBondContact O-CG 3.35Å; M405-L409 PolarHBondContact O-N 3.29Å; M405-I579 HydrophobicContact CB-CG2 3.99Å; M405-I579 HydrophobicContact CG-CG2 3.76Å; M405-I579 HydrophobicContact SD-CG2 4.06Å |
| 406 | A | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V252 Y290 I337 R402 D403 Y410 | V252-A406 HydrophobicContact CG1-CB 3.94Å; Y290-A406 HydrophobicContact CE2-CB 3.75Å; I337-A406 HydrophobicContact CG2-CB 4.14Å; R402-A406 PolarHBondContact O-N 2.82Å; D403-A406 PolarHBondContact O-N 2.9Å; A406-Y410 PolarHBondContact O-N 2.93Å; A406-Y410 VanDerWaalsContact O-N 3.1Å |
| 407 | M | 82.7 | Confident | 84.9 | Confident | 37 Ų | 37 | 21.2 Ų | 21.2 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.8 | -73.3 | -168 | -71.9 | 0 | 0 | 112.3 | S248 N249 V252 D403 M405 S411 | S248-M407 WeakPolarHBondContact O-CG 3.24Å; N249-M407 WeakPolarHBondContact CA-SD 3.23Å; N249-M407 HydrophobicContact CB-SD 4.05Å; V252-M407 HydrophobicContact CG1-CG 3.87Å; V252-M407 HydrophobicContact CG2-CG 4.04Å; V252-M407 HydrophobicContact CG2-SD 3.95Å; D403-M407 WeakPolarHBondContact O-CB 3.29Å; D403-M407 VanDerWaalsContact O-CG 3.27Å; D403-M407 WeakPolarHBondContact O-CG 3.43Å; D403-M407 PolarHBondContact O-N 3.39Å; M405-M407 PolarHBondContact O-N 3.5Å; M407-S411 WeakPolarHBondContact O-CB 3.43Å; M407-S411 PolarHBondContact O-N 3.19Å |
| 408 | A | 79.8 | Confident | 85 | Confident | 16 Ų | 16 | 16.9 Ų | 16.9 | 13% | 0.132 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S404 M405 Y410 S411 Q412 F575 F610 | S404-A408 WeakPolarHBondContact O-CB 3.31Å; S404-A408 PolarHBondContact O-N 3.44Å; M405-A408 PolarHBondContact O-N 3.04Å; A408-Y410 VanDerWaalsContact C-N 3.34Å; A408-Y410 PolarHBondContact O-N 3.49Å; A408-S411 PolarHBondContact O-N 3.38Å; A408-Q412 WeakPolarHBondContact O-CG 3.45Å; A408-Q412 PolarHBondContact O-N 3.15Å; A408-F575 HydrophobicContact CB-CD2 3.75Å; A408-F575 HydrophobicContact CB-CE2 3.35Å; A408-F575 HydrophobicContact CB-CZ 3.88Å; A408-F610 HydrophobicContact CB-CE1 4.36Å; A408-F610 HydrophobicContact CB-CZ 4.39Å |
| 409 | L | 85.8 | Confident | 85 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 176.3 | -74.9 | 166.3 | 0 | 0 | 0 | 111.4 | L333 I337 L366 M405 C413 L583 V606 F610 | L333-L409 HydrophobicContact CD1-CD2 4.42Å; I337-L409 HydrophobicContact CD1-CB 3.89Å; I337-L409 HydrophobicContact CG1-CB 3.99Å; I337-L409 HydrophobicContact CG1-CD1 4.25Å; L366-L409 HydrophobicContact CD1-CD1 3.82Å; L366-L409 HydrophobicContact CD2-CD1 4.11Å; L366-L409 HydrophobicContact CD2-CD2 4.37Å; M405-L409 HydrophobicContact CG-CD1 4.01Å; M405-L409 WeakPolarHBondContact O-CB 3.29Å; M405-L409 WeakPolarHBondContact O-CG 3.35Å; M405-L409 PolarHBondContact O-N 3.29Å; L409-C413 VanDerWaalsContact O-CB 3.3Å; L409-C413 WeakPolarHBondContact O-CB 3.15Å; L409-C413 PolarHBondContact O-N 2.91Å; L409-L583 HydrophobicContact CD2-CD1 4.41Å; L409-L583 HydrophobicContact CD2-CD2 4.06Å; L409-V606 HydrophobicContact CD2-CG1 4.41Å; L409-F610 HydrophobicContact CD2-CE2 3.82Å; L409-F610 HydrophobicContact CD2-CZ 4.16Å |
| 410 | Y | 87.7 | Confident | 85 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 178.7 | -167 | -95.1 | 0 | 0 | 0 | 112.1 | F207 V251 Y261 I263 F264 L334 I337 A406 A408 Q412 C413 F414 | F207-Y410 WeakPolarHBondContact CA-OH 3.35Å; F207-Y410 PolarHBondContact O-OH 2.71Å; V251-Y410 HydrophobicContact CG2-CD1 3.58Å; V251-Y410 HydrophobicContact CG2-CD2 3.99Å; V251-Y410 HydrophobicContact CG2-CE1 4.16Å; V251-Y410 HydrophobicContact CG2-CG 3.48Å; V251-Y410 VanDerWaalsContact CG2-CG 3.48Å; Y261-Y410 WeakPolarHBondContact CB-OH 3.43Å; Y261-Y410 AromaticContact CD2-CE1 3.65Å; Y261-Y410 HydrophobicContact CD2-CE1 3.65Å; Y261-Y410 HydrophobicContact CD2-CE2 4.31Å; Y261-Y410 AromaticContact CD2-CZ 3.52Å; Y261-Y410 WeakPolarHBondContact CD2-OH 3.48Å; Y261-Y410 HydrophobicContact CE2-CD1 4.25Å; Y261-Y410 AromaticContact CE2-CE1 3.6Å; Y261-Y410 HydrophobicContact CE2-CE1 3.6Å; Y261-Y410 HydrophobicContact CG-CE1 4.26Å; Y261-Y410 AromaticContact CG-CZ 3.9Å; Y261-Y410 VanDerWaalsContact CG-OH 3.24Å; I263-Y410 HydrophobicContact CG2-CE2 4.36Å; F264-Y410 HydrophobicContact CE2-CD2 4.2Å; F264-Y410 AromaticContact CE2-CE2 3.74Å; F264-Y410 HydrophobicContact CE2-CE2 3.74Å; F264-Y410 AromaticContact CZ-CD2 3.75Å; F264-Y410 HydrophobicContact CZ-CD2 3.75Å; F264-Y410 AromaticContact CZ-CE2 3.64Å; F264-Y410 HydrophobicContact CZ-CE2 3.64Å; L334-Y410 HydrophobicContact CD2-CD2 3.83Å; L334-Y410 HydrophobicContact CD2-CE2 3.71Å; I337-Y410 HydrophobicContact CD1-CD2 4.14Å; A406-Y410 PolarHBondContact O-N 2.93Å; A406-Y410 VanDerWaalsContact O-N 3.1Å; A408-Y410 VanDerWaalsContact C-N 3.34Å; A408-Y410 PolarHBondContact O-N 3.49Å; Y410-Q412 PolarHBondContact O-N 2.92Å; Y410-C413 PolarHBondContact O-N 3.38Å; Y410-F414 PolarHBondContact O-N 3.05Å |
| 411 | S | 81.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 24.1 Ų | 24.1 | 20% | 0.196 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | M407 A408 F414 N415 | M407-S411 WeakPolarHBondContact O-CB 3.43Å; M407-S411 PolarHBondContact O-N 3.19Å; A408-S411 PolarHBondContact O-N 3.38Å; S411-F414 PolarHBondContact O-N 3.38Å; S411-N415 WeakPolarHBondContact O-CB 3.39Å; S411-N415 PolarHBondContact O-N 3.13Å; S411-N415 PolarHBondContact O-ND2 3.16Å |
| 412 | Q | 82.7 | Confident | 85.6 | Confident | 49 Ų | 49 | 25.2 Ų | 25.2 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.2 | -39.6 | 177.2 | -64.9 | -54.3 | -22 | 0 | 0 | 111.8 | A408 Y410 F414 N415 W416 L609 F610 | A408-Q412 WeakPolarHBondContact O-CG 3.45Å; A408-Q412 PolarHBondContact O-N 3.15Å; Y410-Q412 PolarHBondContact O-N 2.92Å; Q412-F414 VanDerWaalsContact C-N 3.33Å; Q412-F414 PolarHBondContact O-N 3.15Å; Q412-N415 PolarHBondContact O-N 3.24Å; Q412-W416 WeakPolarHBondContact O-CB 3.4Å; Q412-W416 PolarHBondContact O-N 3.44Å; Q412-L609 HydrophobicContact CB-CB 4.15Å; Q412-L609 HydrophobicContact CB-CD2 4.38Å; Q412-F610 HydrophobicContact CB-CE2 4.28Å; Q412-F610 HydrophobicContact CB-CZ 4.21Å; Q412-F610 HydrophobicContact CG-CD1 4.44Å; Q412-F610 HydrophobicContact CG-CE1 3.88Å; Q412-F610 HydrophobicContact CG-CE2 4.19Å; Q412-F610 HydrophobicContact CG-CZ 3.73Å |
| 413 | C | 86.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 174 | -178 | 0 | 0 | 0 | 0 | 111.3 | L333 L409 Y410 W416 I417 | L333-C413 HydrophobicContact CD1-CB 4.32Å; L333-C413 HydrophobicContact CD2-CB 3.78Å; L409-C413 VanDerWaalsContact O-CB 3.3Å; L409-C413 WeakPolarHBondContact O-CB 3.15Å; L409-C413 PolarHBondContact O-N 2.91Å; Y410-C413 PolarHBondContact O-N 3.38Å; C413-W416 PolarHBondContact O-N 3.02Å; C413-I417 WeakPolarHBondContact O-CG1 3.43Å; C413-I417 PolarHBondContact O-N 2.68Å |
| 414 | F | 86.1 | Confident | 85.6 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 177.3 | -174.1 | -107.3 | 0 | 0 | 0 | 112.3 | F207 F221 L245 Y410 S411 Q412 W416 I417 I418 | F207-F414 HydrophobicContact CB-CD2 3.63Å; F207-F414 HydrophobicContact CB-CE2 3.83Å; F221-F414 HydrophobicContact CD1-CZ 4.22Å; F221-F414 HydrophobicContact CD2-CE1 4.42Å; F221-F414 HydrophobicContact CD2-CZ 4.11Å; F221-F414 HydrophobicContact CE1-CZ 4.39Å; F221-F414 HydrophobicContact CE2-CZ 4.27Å; F221-F414 HydrophobicContact CG-CE1 4.41Å; F221-F414 HydrophobicContact CG-CZ 4.11Å; F221-F414 HydrophobicContact CZ-CZ 4.44Å; L245-F414 HydrophobicContact CD1-CD1 3.76Å; L245-F414 HydrophobicContact CD1-CE1 4.11Å; L245-F414 HydrophobicContact CD2-CD1 3.66Å; L245-F414 HydrophobicContact CD2-CE1 3.8Å; L245-F414 HydrophobicContact CG-CD1 4.14Å; L245-F414 HydrophobicContact CG-CE1 4.15Å; Y410-F414 PolarHBondContact O-N 3.05Å; S411-F414 PolarHBondContact O-N 3.38Å; Q412-F414 VanDerWaalsContact C-N 3.33Å; Q412-F414 PolarHBondContact O-N 3.15Å; F414-W416 VanDerWaalsContact C-N 3.28Å; F414-W416 PolarHBondContact O-N 2.83Å; F414-I417 WeakPolarHBondContact O-CB 3.08Å; F414-I417 PolarHBondContact O-N 2.8Å; F414-I417 VanDerWaalsContact O-N 3.13Å; F414-I418 HydrophobicContact CD1-CG1 4.24Å; F414-I418 HydrophobicContact CE1-CD1 4.24Å; F414-I418 HydrophobicContact CE1-CG1 3.94Å; F414-I418 HydrophobicContact CE2-CD1 4.35Å; F414-I418 HydrophobicContact CZ-CD1 3.95Å; F414-I418 HydrophobicContact CZ-CG1 4.13Å; F414-I418 WeakPolarHBondContact O-CG1 3.36Å; F414-I418 PolarHBondContact O-N 3.25Å |
| 415 | N | 83.7 | Confident | 85.9 | Confident | 42 Ų | 42 | 31.7 Ų | 31.7 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 175.6 | -71 | -15.2 | 0 | 0 | 0 | 112.1 | L245 S411 Q412 I418 H419 | L245-N415 VanDerWaalsContact CD1-OD1 3.3Å; L245-N415 WeakPolarHBondContact CD1-OD1 3.46Å; S411-N415 WeakPolarHBondContact O-CB 3.39Å; S411-N415 PolarHBondContact O-N 3.13Å; S411-N415 PolarHBondContact O-ND2 3.16Å; Q412-N415 PolarHBondContact O-N 3.24Å; N415-I418 PolarHBondContact O-N 2.99Å; N415-H419 WeakPolarHBondContact O-CB 3.17Å; N415-H419 PolarHBondContact O-N 3.11Å |
| 416 | W | 86.3 | Confident | 86 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 15% | 0.148 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.9 | 177 | 96.3 | 0 | 0 | 0 | 112.1 | F322 N326 V330 Q412 C413 F414 H419 K420 F605 L609 | F322-W416 HydrophobicContact CD1-CH2 4.09Å; F322-W416 HydrophobicContact CD1-CZ3 4.23Å; F322-W416 AromaticContact CE1-CH2 3.84Å; F322-W416 HydrophobicContact CE1-CH2 3.84Å; F322-W416 AromaticContact CE1-CZ3 3.63Å; F322-W416 HydrophobicContact CE1-CZ3 3.63Å; N326-W416 HydrophobicContact CB-CH2 4.04Å; V330-W416 HydrophobicContact CG2-CE3 4.39Å; V330-W416 HydrophobicContact CG2-CH2 4.41Å; V330-W416 HydrophobicContact CG2-CZ3 3.7Å; Q412-W416 WeakPolarHBondContact O-CB 3.4Å; Q412-W416 PolarHBondContact O-N 3.44Å; C413-W416 PolarHBondContact O-N 3.02Å; F414-W416 VanDerWaalsContact C-N 3.28Å; F414-W416 PolarHBondContact O-N 2.83Å; W416-H419 WeakPolarHBondContact O-CB 3.47Å; W416-H419 PolarHBondContact O-N 3.04Å; W416-K420 HydrophobicContact CD2-CG 4.02Å; W416-K420 VanDerWaalsContact CE2-CE 3.48Å; W416-K420 HydrophobicContact CE3-CG 4.25Å; W416-K420 HydrophobicContact CH2-CG 3.99Å; W416-K420 HydrophobicContact CZ2-CD 4.09Å; W416-K420 HydrophobicContact CZ2-CG 3.76Å; W416-K420 HydrophobicContact CZ3-CG 4.24Å; W416-K420 WeakPolarHBondContact O-CG 3.49Å; W416-K420 PolarHBondContact O-N 2.84Å; W416-F605 AromaticContact CD2-CE2 3.86Å; W416-F605 HydrophobicContact CD2-CE2 3.86Å; W416-F605 HydrophobicContact CD2-CZ 4.19Å; W416-F605 AromaticContact CE2-CE2 3.63Å; W416-F605 AromaticContact CE3-CE2 3.98Å; W416-F605 HydrophobicContact CE3-CE2 3.98Å; W416-F605 AromaticContact CE3-CZ 4Å; W416-F605 HydrophobicContact CE3-CZ 4Å; W416-F605 AromaticContact CH2-CE2 3.73Å; W416-F605 HydrophobicContact CH2-CE2 3.73Å; W416-F605 HydrophobicContact CH2-CZ 4.35Å; W416-F605 HydrophobicContact CZ2-CD2 4.37Å; W416-F605 AromaticContact CZ2-CE2 3.57Å; W416-F605 HydrophobicContact CZ2-CE2 3.57Å; W416-F605 HydrophobicContact CZ2-CZ 4.49Å; W416-F605 AromaticContact CZ3-CE2 3.92Å; W416-F605 HydrophobicContact CZ3-CE2 3.92Å; W416-F605 HydrophobicContact CZ3-CZ 4.08Å; W416-L609 HydrophobicContact CB-CD2 3.36Å; W416-L609 HydrophobicContact CG-CD2 3.7Å |
| 417 | I | 87.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -49.4 | 173.2 | -68.4 | 168.5 | 0 | 0 | 0 | 109.8 | I203 F207 F322 C413 F414 H419 K420 L421 | I203-I417 HydrophobicContact CG2-CG2 3.81Å; F207-I417 HydrophobicContact CD1-CD1 3.51Å; F207-I417 HydrophobicContact CD2-CD1 4.1Å; F207-I417 HydrophobicContact CE1-CD1 3.3Å; F207-I417 HydrophobicContact CE2-CD1 3.94Å; F207-I417 HydrophobicContact CG-CD1 3.91Å; F207-I417 HydrophobicContact CZ-CD1 3.55Å; F322-I417 HydrophobicContact CZ-CG2 4.43Å; C413-I417 WeakPolarHBondContact O-CG1 3.43Å; C413-I417 PolarHBondContact O-N 2.68Å; F414-I417 WeakPolarHBondContact O-CB 3.08Å; F414-I417 PolarHBondContact O-N 2.8Å; F414-I417 VanDerWaalsContact O-N 3.13Å; I417-H419 VanDerWaalsContact C-N 3.28Å; I417-H419 PolarHBondContact O-N 2.98Å; I417-K420 PolarHBondContact O-N 3.22Å; I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 HydrophobicContact CG2-CG 4.25Å; I417-L421 WeakPolarHBondContact O-CB 3.44Å; I417-L421 VanDerWaalsContact O-CG 3.26Å; I417-L421 WeakPolarHBondContact O-CG 3.41Å; I417-L421 PolarHBondContact O-N 3.18Å |
| 418 | I | 85.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 177.2 | -62.1 | -60.2 | 0 | 0 | 0 | 111.2 | M204 F414 N415 L421 N422 | M204-I418 HydrophobicContact CG-CD1 3.84Å; M204-I418 HydrophobicContact SD-CD1 3.94Å; F414-I418 HydrophobicContact CD1-CG1 4.24Å; F414-I418 HydrophobicContact CE1-CD1 4.24Å; F414-I418 HydrophobicContact CE1-CG1 3.94Å; F414-I418 HydrophobicContact CE2-CD1 4.35Å; F414-I418 HydrophobicContact CZ-CD1 3.95Å; F414-I418 HydrophobicContact CZ-CG1 4.13Å; F414-I418 WeakPolarHBondContact O-CG1 3.36Å; F414-I418 PolarHBondContact O-N 3.25Å; N415-I418 PolarHBondContact O-N 2.99Å; I418-L421 HydrophobicContact CD1-CD1 4.3Å; I418-L421 PolarHBondContact O-N 2.59Å; I418-N422 VanDerWaalsContact O-CB 3.29Å; I418-N422 WeakPolarHBondContact O-CB 3.18Å; I418-N422 PolarHBondContact O-N 3.36Å; I418-N422 PolarHBondContact O-ND2 2.83Å |
| 419 | H | 86.3 | Confident | 85.8 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 65% | 0.648 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.4 | -43.8 | 175.1 | -103 | -75.6 | 0 | 0 | 0 | 113 | N415 W416 I417 N422 H423 | N415-H419 WeakPolarHBondContact O-CB 3.17Å; N415-H419 PolarHBondContact O-N 3.11Å; W416-H419 WeakPolarHBondContact O-CB 3.47Å; W416-H419 PolarHBondContact O-N 3.04Å; I417-H419 VanDerWaalsContact C-N 3.28Å; I417-H419 PolarHBondContact O-N 2.98Å; H419-N422 PolarHBondContact O-N 3.1Å; H419-H423 WeakPolarHBondContact O-CB 3.47Å; H419-H423 PolarHBondContact O-N 3.49Å |
| 420 | K | 86.6 | Confident | 85.4 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 175.3 | -73.7 | -67.5 | -170.1 | 179.7 | 0 | 111.5 | F322 W416 I417 N422 H423 R424 | F322-K420 HydrophobicContact CE1-CB 3.95Å; F322-K420 HydrophobicContact CE1-CG 4.17Å; F322-K420 HydrophobicContact CZ-CB 3.7Å; F322-K420 HydrophobicContact CZ-CG 4.43Å; W416-K420 HydrophobicContact CD2-CG 4.02Å; W416-K420 VanDerWaalsContact CE2-CE 3.48Å; W416-K420 HydrophobicContact CE3-CG 4.25Å; W416-K420 HydrophobicContact CH2-CG 3.99Å; W416-K420 HydrophobicContact CZ2-CD 4.09Å; W416-K420 HydrophobicContact CZ2-CG 3.76Å; W416-K420 HydrophobicContact CZ3-CG 4.24Å; W416-K420 WeakPolarHBondContact O-CG 3.49Å; W416-K420 PolarHBondContact O-N 2.84Å; I417-K420 PolarHBondContact O-N 3.22Å; K420-N422 PolarHBondContact O-N 3.34Å; K420-H423 WeakPolarHBondContact O-CB 3.14Å; K420-H423 PolarHBondContact O-N 2.85Å; K420-R424 PolarHBondContact O-N 2.82Å; K420-R424 VanDerWaalsContact O-N 3.09Å |
| 421 | L | 87.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57 | -51.3 | 174.1 | -68.9 | 178.1 | 0 | 0 | 0 | 110.7 | I203 M204 M320 F322 I417 I418 H423 R424 I425 | I203-L421 HydrophobicContact CD1-CD2 4.11Å; I203-L421 HydrophobicContact CG2-CD1 4.45Å; M204-L421 HydrophobicContact CG-CD1 4Å; M320-L421 HydrophobicContact CB-CD2 4.39Å; M320-L421 HydrophobicContact CE-CD2 3.53Å; M320-L421 HydrophobicContact CG-CD2 3.8Å; M320-L421 HydrophobicContact SD-CD2 3.59Å; M320-L421 VanDerWaalsContact SD-CD2 3.59Å; F322-L421 HydrophobicContact CE2-CD2 4.22Å; I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 HydrophobicContact CG2-CG 4.25Å; I417-L421 WeakPolarHBondContact O-CB 3.44Å; I417-L421 VanDerWaalsContact O-CG 3.26Å; I417-L421 WeakPolarHBondContact O-CG 3.41Å; I417-L421 PolarHBondContact O-N 3.18Å; I418-L421 HydrophobicContact CD1-CD1 4.3Å; I418-L421 PolarHBondContact O-N 2.59Å; L421-H423 VanDerWaalsContact C-N 3.32Å; L421-H423 PolarHBondContact O-N 3.4Å; L421-R424 WeakPolarHBondContact O-CB 3.39Å; L421-R424 PolarHBondContact O-N 3.02Å; L421-R424 VanDerWaalsContact O-N 3.1Å; L421-I425 WeakPolarHBondContact O-CG1 3.4Å; L421-I425 PolarHBondContact O-N 2.82Å |
| 422 | N | 89.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 177.4 | -84.3 | -39.1 | 0 | 0 | 0 | 113 | I240 I418 H419 K420 R424 I425 R426 | I240-N422 PolarHBondContact N-OD1 3.37Å; I240-N422 PolarHBondContact O-ND2 3.39Å; I240-N422 PolarHBondContact O-OD1 3.38Å; I418-N422 VanDerWaalsContact O-CB 3.29Å; I418-N422 WeakPolarHBondContact O-CB 3.18Å; I418-N422 PolarHBondContact O-N 3.36Å; I418-N422 PolarHBondContact O-ND2 2.83Å; H419-N422 PolarHBondContact O-N 3.1Å; K420-N422 PolarHBondContact O-N 3.34Å; N422-R424 VanDerWaalsContact C-N 3.3Å; N422-R424 PolarHBondContact O-N 3.49Å; N422-I425 PolarHBondContact O-N 3.14Å; N422-R426 WeakPolarHBondContact O-CB 3.4Å; N422-R426 PolarHBondContact O-N 3.34Å |
| 423 | H | 88.6 | Confident | 86.3 | Confident | 144 Ų | 144 | 60.1 Ų | 60.1 | 67% | 0.667 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | 176.3 | -170.5 | 79.2 | 0 | 0 | 0 | 111.6 | H419 K420 L421 | H419-H423 WeakPolarHBondContact O-CB 3.47Å; H419-H423 PolarHBondContact O-N 3.49Å; K420-H423 WeakPolarHBondContact O-CB 3.14Å; K420-H423 PolarHBondContact O-N 2.85Å; L421-H423 VanDerWaalsContact C-N 3.32Å; L421-H423 PolarHBondContact O-N 3.4Å |
| 424 | R | 87.9 | Confident | 86.7 | Confident | 36 Ų | 36 | 60 Ų | 60 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 179.6 | 177.7 | 62.1 | -172.4 | 92 | 1.4 | 113.6 | A196 M320 Q321 K420 L421 N422 | A196-R424 HydrophobicContact CB-CG 4.37Å; M320-R424 HydrophobicContact SD-CB 4.42Å; M320-R424 HydrophobicContact SD-CG 3.97Å; Q321-R424 VanDerWaalsContact CD-CD 3.48Å; Q321-R424 VanDerWaalsContact OE1-CD 3.32Å; K420-R424 PolarHBondContact O-N 2.82Å; K420-R424 VanDerWaalsContact O-N 3.09Å; L421-R424 WeakPolarHBondContact O-CB 3.39Å; L421-R424 PolarHBondContact O-N 3.02Å; L421-R424 VanDerWaalsContact O-N 3.1Å; N422-R424 VanDerWaalsContact C-N 3.3Å; N422-R424 PolarHBondContact O-N 3.49Å |
| 425 | I | 87.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -88.7 | -5.7 | -179.4 | 66.4 | 177.4 | 0 | 0 | 0 | 113.2 | A196 L197 G237 G238 I240 L421 N422 G427 | A196-I425 HydrophobicContact CB-CG2 4.27Å; L197-I425 HydrophobicContact CD2-CB 4.16Å; L197-I425 HydrophobicContact CD2-CD1 4.01Å; L197-I425 HydrophobicContact CD2-CG2 3.97Å; L197-I425 HydrophobicContact CG-CG2 4.22Å; G237-I425 CarbonylContact C-O 3.59Å; G237-I425 WeakPolarHBondContact CA-O 3.38Å; G238-I425 PolarHBondContact N-O 3.37Å; G238-I425 WeakPolarHBondContact O-CG1 3.28Å; I240-I425 HydrophobicContact CD1-CD1 3.74Å; I240-I425 HydrophobicContact CG1-CD1 3.78Å; L421-I425 WeakPolarHBondContact O-CG1 3.4Å; L421-I425 PolarHBondContact O-N 2.82Å; N422-I425 PolarHBondContact O-N 3.14Å; I425-G427 PolarHBondContact O-N 3.46Å |
| 426 | R | 86.8 | Confident | 87.6 | Confident | 199 Ų | 199 | 58 Ų | 58 | 75% | 0.751 | 27% | 0.266 | S | S | * | . | trans | -59.8 | 126.1 | -178 | -171.7 | 176.8 | -178.5 | -175.8 | 0.8 | 110.3 | N422 | N422-R426 WeakPolarHBondContact O-CB 3.4Å; N422-R426 PolarHBondContact O-N 3.34Å | ||
| 427 | G | 81.6 | Confident | 87.8 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | trans | -132.8 | -171.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q236 I425 | Q236-G427 VanDerWaalsContact O-CA 3.31Å; Q236-G427 WeakPolarHBondContact O-CA 3.45Å; I425-G427 PolarHBondContact O-N 3.46Å | ||
| 428 | K | 81.9 | Confident | 87.8 | Confident | 143 Ų | 143 | 56.6 Ų | 56.6 | 62% | 0.622 | 26% | 0.261 | S | S | * | . | trans | -79.2 | 150.8 | 175 | -62.3 | -175.3 | -179.7 | -178.5 | 0 | 111.1 | Q236 | Q236-K428 PolarHBondContact OE1-O 3.1Š| ||
| 429 | E | 82.3 | Confident | 87.5 | Confident | 146 Ų | 146 | 56.6 Ų | 56.6 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | trans | -110.1 | 60.4 | 179.2 | -73.8 | 178 | -162.9 | 0 | 0 | 110 | H228 | H228-E429 VanDerWaalsContact CE1-CG 3.46Å; H228-E429 WeakPolarHBondContact CE1-CG 3.32Å; H228-E429 IonicContact CE1-OE1 3.68Å; H228-E429 PolarHBondContact CE1-OE1 2.81Å; H228-E429 VanDerWaalsContact ND1-CG 3.28Å; H228-E429 WeakPolarHBondContact ND1-CG 3.42Å; H228-E429 IonicContact ND1-OE1 2.79Å | ||
| 430 | D | 79.4 | Confident | 87 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -86.1 | -21 | -167.8 | -63.6 | -22.9 | 0 | 0 | 0 | 114.1 | Q236 | Q236-D430 PolarHBondContact NE2-OD2 3.36Å; Q236-D430 PolarHBondContact OE1-OD2 2.62Å |
| 431 | F | 86.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 46 Ų | 46 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -135.2 | -90.1 | -174.6 | 178.4 | -116.1 | 0 | 0 | 0 | 114.4 | L144 Q148 F229 | L144-F431 HydrophobicContact CB-CE1 4.13Å; Q148-F431 VanDerWaalsContact OE1-CE2 3.24Å; F229-F431 WeakPolarHBondContact O-CB 3.46Å |
| 432 | K | 91.3 | Very high | 86.4 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160.1 | -173.3 | -63 | -66.7 | 162.1 | 172 | 0 | 110.4 | L144 Q148 F229 | L144-K432 HydrophobicContact CD2-CB 3.76Å; Q148-K432 WeakPolarHBondContact O-CE 3.48Å; Q148-K432 PolarHBondContact O-NZ 2.84Å; F229-K432 PolarHBondContact N-O 3.07Å |
| 433 | S | 93 | Very high | 86 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.5 | -178.8 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | N150 Q151 Q226 L227 | N150-S433 WeakPolarHBondContact CA-O 3.34Å; N150-S433 PolarHBondContact OD1-N 3.45Å; N150-S433 PolarHBondContact OD1-OG 3.22Å; Q151-S433 PolarHBondContact N-O 3.12Å; Q226-S433 PolarHBondContact NE2-OG 3.21Å; L227-S433 CarbonylContact O-C 3.58Å; L227-S433 WeakPolarHBondContact O-CA 3.38Å; L227-S433 VanDerWaalsContact O-CB 3.3Å; L227-S433 WeakPolarHBondContact O-CB 3.35Å |
| 434 | I | 94.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.4 | 164.2 | -58.2 | 177.5 | 0 | 0 | 0 | 107.4 | Y141 L144 Q151 L174 L227 F229 | Y141-I434 HydrophobicContact CD2-CD1 4.37Å; L144-I434 HydrophobicContact CD1-CD1 3.82Å; L144-I434 HydrophobicContact CD1-CG1 3.9Å; L144-I434 HydrophobicContact CD2-CG1 3.82Å; L144-I434 HydrophobicContact CG-CD1 4.23Å; L144-I434 HydrophobicContact CG-CG1 4.09Å; Q151-I434 HydrophobicContact CB-CG1 4.4Å; Q151-I434 CarbonylContact O-C 3.49Å; Q151-I434 WeakPolarHBondContact O-CA 3.24Å; L174-I434 HydrophobicContact CD1-CD1 4.25Å; L174-I434 HydrophobicContact CD1-CG2 4.25Å; L174-I434 HydrophobicContact CD2-CD1 4.09Å; L227-I434 PolarHBondContact N-O 2.94Å; L227-I434 PolarHBondContact O-N 3.13Å; F229-I434 HydrophobicContact CD2-CD1 4.3Å; F229-I434 HydrophobicContact CD2-CG1 4.1Å; F229-I434 HydrophobicContact CE2-CB 3.87Å; F229-I434 HydrophobicContact CE2-CD1 3.56Å; F229-I434 HydrophobicContact CE2-CG1 3.59Å; F229-I434 HydrophobicContact CZ-CD1 3.85Å; F229-I434 HydrophobicContact CZ-CG1 4.39Å |
| 435 | S | 93.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 140.2 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 111 | Q151 C152 V153 F224 V225 | Q151-S435 PolarHBondContact O-N 2.98Å; C152-S435 CarbonylContact C-O 3.58Å; C152-S435 WeakPolarHBondContact CA-O 3.49Å; V153-S435 PolarHBondContact N-O 3.49Å; F224-S435 VanDerWaalsContact CE2-CB 3.46Å; F224-S435 VanDerWaalsContact CZ-CB 3.42Å; F224-S435 WeakPolarHBondContact CZ-OG 3.47Å; V225-S435 CarbonylContact O-C 3.57Å; V225-S435 VanDerWaalsContact O-CA 3.27Å; V225-S435 WeakPolarHBondContact O-CA 3.24Å |
| 436 | I | 93.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.6 | 175.5 | -54.1 | 163 | 0 | 0 | 0 | 107 | I155 T167 I170 L171 L174 V225 | I155-I436 HydrophobicContact CD1-CG2 4.03Å; T167-I436 HydrophobicContact CG2-CG2 3.92Å; I170-I436 HydrophobicContact CB-CD1 4.29Å; I170-I436 HydrophobicContact CG2-CD1 3.56Å; I170-I436 HydrophobicContact CG2-CG1 4.22Å; L171-I436 HydrophobicContact CD2-CD1 3.59Å; L171-I436 HydrophobicContact CG-CD1 4.02Å; L174-I436 HydrophobicContact CD1-CD1 4.24Å; V225-I436 PolarHBondContact N-O 3.45Å; V225-I436 PolarHBondContact O-N 2.8Å |
| 437 | L | 91.1 | Very high | 85.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.9 | 179.1 | -177.5 | 66.6 | 0 | 0 | 0 | 109.9 | V153 L154 I155 F224 I439 L462 L651 L655 | V153-L437 PolarHBondContact O-N 2.93Å; L154-L437 HydrophobicContact CD2-CD2 4.27Å; I155-L437 PolarHBondContact N-O 2.84Å; F224-L437 HydrophobicContact CB-CD1 4.12Å; F224-L437 HydrophobicContact CD2-CB 4.17Å; F224-L437 HydrophobicContact CD2-CD1 3.87Å; F224-L437 HydrophobicContact CG-CD1 4.47Å; L437-I439 HydrophobicContact CD1-CG2 3.67Å; L437-I439 HydrophobicContact CD2-CG2 4.31Å; L437-I439 HydrophobicContact CG-CG2 3.91Å; L437-L462 HydrophobicContact CD2-CD1 4.14Å; L437-L462 HydrophobicContact CD2-CD2 3.52Å; L437-L651 HydrophobicContact CD1-CD1 4.22Å; L437-L651 HydrophobicContact CD1-CD2 3.92Å; L437-L651 HydrophobicContact CD2-CD2 4.38Å; L437-L655 HydrophobicContact CD2-CD1 4.04Å |
| 438 | D | 86.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 97.6 | 174.4 | -173.1 | 10.8 | 0 | 0 | 0 | 109 | T164 T167 K223 | T164-D438 VanDerWaalsContact CA-OD2 3.24Å; T164-D438 WeakPolarHBondContact CA-OD2 3.48Å; T164-D438 PolarHBondContact OG1-OD2 2.83Å; T167-D438 HydrophobicContact CG2-CB 4.16Å; T167-D438 VanDerWaalsContact OG1-CB 3.31Å; T167-D438 WeakPolarHBondContact OG1-CB 3.25Å; T167-D438 VanDerWaalsContact OG1-CG 3.23Å; T167-D438 PolarHBondContact OG1-OD2 2.88Å; T167-D438 VanDerWaalsContact OG1-OD2 3.06Å; K223-D438 HydrophobicContact CB-CB 4.36Å; K223-D438 PolarHBondContact N-O 2.8Å; K223-D438 PolarHBondContact O-N 2.69Å |
| 439 | I | 80.6 | Confident | 85.6 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -104.5 | 156.9 | 178.5 | 51.8 | 125.6 | 0 | 0 | 0 | 110.5 | K163 L437 N459 L462 | K163-I439 WeakPolarHBondContact CE-O 3.49Å; L437-I439 HydrophobicContact CD1-CG2 3.67Å; L437-I439 HydrophobicContact CD2-CG2 4.31Å; L437-I439 HydrophobicContact CG-CG2 3.91Å; I439-N459 WeakPolarHBondContact CD1-OD1 3.3Å; I439-L462 HydrophobicContact CB-CD1 4.21Å; I439-L462 HydrophobicContact CD1-CD1 3.1Å; I439-L462 HydrophobicContact CD1-CG 4.47Å; I439-L462 HydrophobicContact CG1-CD1 3.48Å; I439-L462 VanDerWaalsContact CG1-CD1 3.48Å; I439-L462 HydrophobicContact CG2-CD1 4.01Å | ||
| 440 | F | 75.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 147.6 | 171 | 40.1 | -112.3 | 0 | 0 | 0 | 111 | I244 I455 A458 N459 | I244-F440 HydrophobicContact CB-CE1 3.64Å; I244-F440 HydrophobicContact CB-CZ 3.95Å; I244-F440 HydrophobicContact CD1-CE1 3.86Å; I244-F440 HydrophobicContact CD1-CE2 4.19Å; I244-F440 HydrophobicContact CD1-CZ 3.32Å; I244-F440 HydrophobicContact CG1-CE1 4.31Å; I244-F440 HydrophobicContact CG1-CZ 4.2Å; I244-F440 HydrophobicContact CG2-CE1 3.58Å; I244-F440 HydrophobicContact CG2-CZ 3.71Å; F440-I455 HydrophobicContact CD1-CG1 4.2Å; F440-I455 HydrophobicContact CD2-CB 3.91Å; F440-I455 HydrophobicContact CD2-CG1 3.78Å; F440-I455 HydrophobicContact CD2-CG2 3.51Å; F440-I455 HydrophobicContact CE1-CG1 4.07Å; F440-I455 HydrophobicContact CE2-CB 3.76Å; F440-I455 HydrophobicContact CE2-CG1 3.7Å; F440-I455 HydrophobicContact CE2-CG2 3.84Å; F440-I455 WeakPolarHBondContact CE2-O 3.25Å; F440-I455 HydrophobicContact CG-CG1 4.02Å; F440-I455 HydrophobicContact CG-CG2 4.25Å; F440-I455 HydrophobicContact CZ-CB 4.28Å; F440-I455 HydrophobicContact CZ-CG1 3.8Å; F440-A458 HydrophobicContact CE2-CB 3.9Å; F440-A458 HydrophobicContact CZ-CB 4.08Å; F440-N459 PolarHBondContact O-ND2 3.45Å; F440-N459 VanDerWaalsContact O-ND2 3.08Å; F440-N459 PolarHBondContact O-OD1 3.22Å |
| 441 | G | 78.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 167 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G157 I455 N459 | G157-G441 VanDerWaalsContact O-CA 3.3Å; G157-G441 WeakPolarHBondContact O-CA 3.19Å; G441-I455 WeakPolarHBondContact O-CG2 3.33Å; G441-N459 PolarHBondContact O-ND2 2.88Å |
| 442 | F | 83.8 | Confident | 85.4 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 136.1 | 163.4 | -171.7 | -94.3 | 0 | 0 | 0 | 110 | N444 N456 N459 H555 Y556 A557 V560 | F442-N444 HydrophobicContact CE1-CB 4.42Å; F442-N456 HydrophobicContact CD2-CB 4.15Å; F442-N456 WeakPolarHBondContact CD2-OD1 3.31Å; F442-N456 HydrophobicContact CE2-CB 3.89Å; F442-N459 HydrophobicContact CD2-CB 4.42Å; F442-N459 PolarHBondContact N-OD1 3.43Å; F442-H555 HydrophobicContact CE2-CB 3.58Å; F442-H555 AromaticContact CE2-CG 3.83Å; F442-H555 HydrophobicContact CZ-CB 3.8Å; F442-Y556 HydrophobicContact CD2-CE1 4.12Å; F442-A557 HydrophobicContact CD1-CB 3.69Å; F442-A557 HydrophobicContact CD2-CB 4.03Å; F442-A557 HydrophobicContact CE1-CB 3.65Å; F442-A557 HydrophobicContact CE2-CB 4Å; F442-A557 HydrophobicContact CG-CB 3.88Å; F442-A557 HydrophobicContact CZ-CB 3.8Å; F442-V560 HydrophobicContact CE1-CG2 4.02Å; F442-V560 HydrophobicContact CE2-CG2 4.42Å; F442-V560 HydrophobicContact CZ-CG2 3.47Å; F442-V560 VanDerWaalsContact CZ-CG2 3.47Å |
| 443 | E | 81.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | trans | -131 | 130.6 | -177.3 | -64.2 | -171.9 | 157.3 | 0 | 0 | 110.8 | S159 R220 F445 I455 N456 | S159-E443 PolarHBondContact OG-OE1 3.15Å; R220-E443 IonicContact CZ-OE1 3.08Å; R220-E443 IonicContact CZ-OE2 2.69Å; R220-E443 IonicContact NH1-OE1 2.66Å; R220-E443 PolarHBondContact NH1-OE1 2.64Å; R220-E443 IonicContact NH1-OE2 3.68Å; R220-E443 PolarHBondContact NH1-OE2 3.49Å; R220-E443 IonicContact NH2-OE2 3.81Å; R220-E443 PolarHBondContact NH2-OE2 2.88Å; E443-F445 HydrophobicContact CB-CE2 3.99Å; E443-F445 HydrophobicContact CB-CZ 4.18Å; E443-F445 HydrophobicContact CG-CE2 4.47Å; E443-F445 HydrophobicContact CG-CZ 4.31Å; E443-F445 WeakPolarHBondContact OE2-CE2 3.38Å; E443-I455 HydrophobicContact CB-CG2 4.45Å; E443-I455 HydrophobicContact CG-CG2 4.33Å; E443-N456 PolarHBondContact N-OD1 2.96Å; E443-N456 PolarHBondContact O-ND2 3.46Å; E443-N456 PolarHBondContact O-OD1 3.38Å | ||
| 444 | N | 85.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 24.6 Ų | 24.6 | 34% | 0.342 | 12% | 0.118 | S | C | . | . | trans | -133.1 | 108.2 | 170.2 | -169.8 | 5.5 | 0 | 0 | 0 | 108.5 | Y214 F442 N448 E559 V560 | Y214-N444 PolarHBondContact OH-O 3.23Å; F442-N444 HydrophobicContact CE1-CB 4.42Å; N444-N448 PolarHBondContact OD1-ND2 2.82Å; N444-E559 PolarHBondContact ND2-O 3.27Å; N444-V560 HydrophobicContact CB-CG2 4.31Å | ||
| 445 | F | 82.9 | Confident | 84 | Confident | 18 Ų | 18 | 24.6 Ų | 24.6 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | trans | -101.8 | 171.7 | 176.9 | -60.2 | -59.8 | 0 | 0 | 0 | 110.6 | Y214 E443 V447 N448 Q452 | Y214-F445 HydrophobicContact CD2-CD1 4.02Å; Y214-F445 AromaticContact CD2-CE1 3.4Å; Y214-F445 HydrophobicContact CD2-CE1 3.4Å; Y214-F445 VanDerWaalsContact CD2-CE1 3.4Å; Y214-F445 HydrophobicContact CD2-CZ 4.25Å; Y214-F445 AromaticContact CE2-CD1 3.42Å; Y214-F445 HydrophobicContact CE2-CD1 3.42Å; Y214-F445 VanDerWaalsContact CE2-CD1 3.42Å; Y214-F445 AromaticContact CE2-CE1 3.32Å; Y214-F445 HydrophobicContact CE2-CE1 3.32Å; Y214-F445 HydrophobicContact CE2-CZ 4.35Å; E443-F445 HydrophobicContact CB-CE2 3.99Å; E443-F445 HydrophobicContact CB-CZ 4.18Å; E443-F445 HydrophobicContact CG-CE2 4.47Å; E443-F445 HydrophobicContact CG-CZ 4.31Å; E443-F445 WeakPolarHBondContact OE2-CE2 3.38Å; F445-V447 PolarHBondContact O-N 2.8Å; F445-N448 PolarHBondContact N-OD1 3.03Å; F445-N448 PolarHBondContact O-ND2 2.86Å; F445-Q452 HydrophobicContact CD2-CG 3.68Å; F445-Q452 HydrophobicContact CE2-CG 3.93Å | ||
| 446 | E | 82.8 | Confident | 83.7 | Confident | 204 Ų | 204 | 24.5 Ų | 24.5 | 95% | 0.953 | 12% | 0.117 | S | C | * | . | S | Bend | trans | -59.1 | -35.4 | 171.9 | -64.6 | -177.2 | 174 | 0 | 0 | 112 | ||
| 447 | V | 83.5 | Confident | 83.4 | Confident | 65 Ų | 65 | 24.5 Ų | 24.5 | 39% | 0.394 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -127.6 | 105.9 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 109 | F445 R449 D563 | F445-V447 PolarHBondContact O-N 2.8Å; V447-R449 HydrophobicContact CG1-CG 4.43Å; V447-D563 HydrophobicContact CG1-CB 4.49Å |
| 448 | N | 86.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -95.6 | 132.7 | 174.9 | -53.6 | -71.2 | 0 | 0 | 0 | 110.1 | N444 F445 Q452 V560 V561 Y562 D563 | N444-N448 PolarHBondContact OD1-ND2 2.82Å; F445-N448 PolarHBondContact N-OD1 3.03Å; F445-N448 PolarHBondContact O-ND2 2.86Å; N448-Q452 HydrophobicContact CB-CB 3.93Å; N448-Q452 HydrophobicContact CB-CG 4.24Å; N448-V560 HydrophobicContact CB-CG1 4.15Å; N448-V560 WeakPolarHBondContact ND2-CG1 3.46Å; N448-V561 WeakPolarHBondContact CB-O 3.24Å; N448-V561 PolarHBondContact ND2-O 2.8Å; N448-Y562 HydrophobicContact CB-CD1 3.6Å; N448-Y562 HydrophobicContact CB-CE1 3.94Å; N448-Y562 HydrophobicContact CB-CG 4.49Å; N448-Y562 WeakPolarHBondContact O-CA 3.39Å; N448-D563 PolarHBondContact O-N 3.16Å |
| 449 | R | 84.9 | Confident | 83 | Confident | 84 Ų | 84 | 24.3 Ų | 24.3 | 32% | 0.317 | 12% | 0.117 | S | C | . | . | trans | -116.5 | -171.7 | 178.7 | -63.8 | -176.5 | 179.6 | -100.8 | 5 | 110.3 | V447 E451 Q452 F453 | V447-R449 HydrophobicContact CG1-CG 4.43Å; R449-E451 WeakPolarHBondContact CB-OE2 3.31Å; R449-E451 PolarHBondContact O-N 2.88Å; R449-E451 VanDerWaalsContact O-N 3.12Å; R449-Q452 PolarHBondContact O-N 3.46Å; R449-Q452 VanDerWaalsContact O-N 3.11Å; R449-Q452 PolarHBondContact O-OE1 2.78Å; R449-F453 PolarHBondContact O-N 3.26Å; R449-F453 VanDerWaalsContact O-N 3.12Å | ||
| 450 | F | 81.2 | Confident | 83.4 | Confident | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -47 | -38.7 | 177.3 | -173.7 | -120.2 | 0 | 0 | 0 | 114.2 | F453 N454 M513 M567 K570 N571 T641 | F450-F453 WeakPolarHBondContact O-CB 3.28Å; F450-F453 PolarHBondContact O-N 2.57Å; F450-N454 WeakPolarHBondContact CE1-ND2 3.34Å; F450-N454 VanDerWaalsContact CZ-ND2 3.3Å; F450-N454 WeakPolarHBondContact CZ-ND2 3.24Å; F450-N454 PolarHBondContact O-N 3.11Å; F450-N454 PolarHBondContact O-ND2 2.93Å; F450-M513 HydrophobicContact CD2-CE 3.64Å; F450-M513 HydrophobicContact CE2-CE 3.47Å; F450-M513 VanDerWaalsContact CE2-CE 3.47Å; F450-M567 HydrophobicContact CB-CE 4.5Å; F450-M567 HydrophobicContact CB-CG 4.1Å; F450-M567 HydrophobicContact CD2-CG 4.35Å; F450-K570 HydrophobicContact CB-CD 3.92Å; F450-K570 HydrophobicContact CD1-CB 3.73Å; F450-K570 HydrophobicContact CD1-CD 4.19Å; F450-K570 HydrophobicContact CE1-CB 4.21Å; F450-K570 HydrophobicContact CG-CB 4.33Å; F450-K570 HydrophobicContact CG-CD 4.45Å; F450-N571 HydrophobicContact CE2-CB 4.49Å; F450-N571 HydrophobicContact CZ-CB 4.19Å; F450-T641 HydrophobicContact CE2-CG2 3.83Å; F450-T641 HydrophobicContact CZ-CG2 3.74Å |
| 451 | E | 77.9 | Confident | 84 | Confident | 15 Ų | 15 | 24.7 Ų | 24.7 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | -178.5 | -62.1 | 88.2 | 165.1 | 0 | 0 | 112.1 | S246 N247 N249 R449 F453 N454 I455 K570 | S246-E451 WeakPolarHBondContact O-CG 3.35Å; N247-E451 VanDerWaalsContact OD1-CB 3.23Å; N247-E451 WeakPolarHBondContact OD1-CB 3.5Å; N247-E451 VanDerWaalsContact OD1-CG 3.24Å; N247-E451 WeakPolarHBondContact OD1-CG 3.09Å; N249-E451 PolarHBondContact ND2-OE1 2.84Å; R449-E451 WeakPolarHBondContact CB-OE2 3.31Å; R449-E451 PolarHBondContact O-N 2.88Å; R449-E451 VanDerWaalsContact O-N 3.12Å; E451-F453 VanDerWaalsContact C-N 3.31Å; E451-F453 PolarHBondContact O-N 3.17Å; E451-N454 PolarHBondContact O-N 3.02Å; E451-I455 WeakPolarHBondContact O-CB 3.46Å; E451-I455 VanDerWaalsContact O-CG1 3.28Å; E451-I455 WeakPolarHBondContact O-CG1 3.3Å; E451-I455 PolarHBondContact O-N 2.97Å; E451-K570 VanDerWaalsContact OE1-CE 3.24Å; E451-K570 WeakPolarHBondContact OE1-CE 3.32Å; E451-K570 IonicContact OE1-NZ 3.6Å; E451-K570 PolarHBondContact OE1-NZ 3.06Å; E451-K570 IonicContact OE2-NZ 3.91Å; E451-K570 PolarHBondContact OE2-NZ 3.09Å |
| 452 | Q | 83.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 175.5 | -72.6 | 70.5 | 42.3 | 0 | 0 | 111.3 | F445 N448 R449 N454 I455 N456 Y562 | F445-Q452 HydrophobicContact CD2-CG 3.68Å; F445-Q452 HydrophobicContact CE2-CG 3.93Å; N448-Q452 HydrophobicContact CB-CB 3.93Å; N448-Q452 HydrophobicContact CB-CG 4.24Å; R449-Q452 PolarHBondContact O-N 3.46Å; R449-Q452 VanDerWaalsContact O-N 3.11Å; R449-Q452 PolarHBondContact O-OE1 2.78Å; Q452-N454 PolarHBondContact O-N 3.06Å; Q452-I455 PolarHBondContact O-N 3.2Å; Q452-N456 WeakPolarHBondContact O-CB 3.49Å; Q452-N456 VanDerWaalsContact O-CG 3.25Å; Q452-N456 PolarHBondContact O-N 3.23Å; Q452-N456 PolarHBondContact O-ND2 3.07Å; Q452-Y562 HydrophobicContact CB-CE1 4.18Å |
| 453 | F | 86.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -47.7 | 176 | 176.7 | -98.9 | 0 | 0 | 0 | 111.5 | R449 F450 E451 I455 N456 Y457 I500 L509 L510 M513 F551 V553 Y562 M567 | R449-F453 PolarHBondContact O-N 3.26Å; R449-F453 VanDerWaalsContact O-N 3.12Å; F450-F453 WeakPolarHBondContact O-CB 3.28Å; F450-F453 PolarHBondContact O-N 2.57Å; E451-F453 VanDerWaalsContact C-N 3.31Å; E451-F453 PolarHBondContact O-N 3.17Å; F453-I455 PolarHBondContact O-N 2.97Å; F453-N456 PolarHBondContact O-N 2.98Å; F453-Y457 VanDerWaalsContact O-CB 3.28Å; F453-Y457 WeakPolarHBondContact O-CB 3.36Å; F453-Y457 PolarHBondContact O-N 2.93Å; F453-I500 HydrophobicContact CZ-CG2 4.09Å; F453-L509 HydrophobicContact CE2-CD1 4.04Å; F453-L509 HydrophobicContact CZ-CB 4.28Å; F453-L509 HydrophobicContact CZ-CD1 4.16Å; F453-L510 HydrophobicContact CE1-CD2 3.68Å; F453-L510 HydrophobicContact CE1-CG 4.48Å; F453-L510 HydrophobicContact CZ-CD2 4.39Å; F453-M513 HydrophobicContact CE1-SD 4.33Å; F453-F551 HydrophobicContact CD2-CE2 4.41Å; F453-F551 HydrophobicContact CD2-CZ 4.32Å; F453-F551 HydrophobicContact CE2-CE2 4.29Å; F453-F551 HydrophobicContact CE2-CZ 4.47Å; F453-V553 HydrophobicContact CE2-CG2 4.41Å; F453-Y562 VanDerWaalsContact CA-CE1 3.43Å; F453-Y562 HydrophobicContact CB-CD1 3.84Å; F453-Y562 HydrophobicContact CB-CE1 3.71Å; F453-Y562 HydrophobicContact CB-CG 4.42Å; F453-Y562 HydrophobicContact CD2-CD2 4.09Å; F453-Y562 HydrophobicContact CD2-CE1 4.3Å; F453-Y562 AromaticContact CD2-CE2 3.85Å; F453-Y562 HydrophobicContact CD2-CE2 3.85Å; F453-Y562 HydrophobicContact CD2-CG 4.41Å; F453-Y562 AromaticContact CD2-CZ 3.95Å; F453-M567 HydrophobicContact CB-CE 4.45Å |
| 454 | N | 82.8 | Confident | 85 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 176 | -73.4 | -24.2 | 0 | 0 | 0 | 112.7 | F450 E451 Q452 A458 L644 | F450-N454 WeakPolarHBondContact CE1-ND2 3.34Å; F450-N454 VanDerWaalsContact CZ-ND2 3.3Å; F450-N454 WeakPolarHBondContact CZ-ND2 3.24Å; F450-N454 PolarHBondContact O-N 3.11Å; F450-N454 PolarHBondContact O-ND2 2.93Å; E451-N454 PolarHBondContact O-N 3.02Å; Q452-N454 PolarHBondContact O-N 3.06Å; N454-A458 PolarHBondContact O-N 3.21Å; N454-A458 VanDerWaalsContact O-N 3.11Å; N454-L644 HydrophobicContact CB-CD1 3.64Å |
| 455 | I | 82.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.5 | -77.3 | 171.1 | 0 | 0 | 0 | 111.3 | F440 G441 E443 E451 Q452 F453 A458 N459 | F440-I455 HydrophobicContact CD1-CG1 4.2Å; F440-I455 HydrophobicContact CD2-CB 3.91Å; F440-I455 HydrophobicContact CD2-CG1 3.78Å; F440-I455 HydrophobicContact CD2-CG2 3.51Å; F440-I455 HydrophobicContact CE1-CG1 4.07Å; F440-I455 HydrophobicContact CE2-CB 3.76Å; F440-I455 HydrophobicContact CE2-CG1 3.7Å; F440-I455 HydrophobicContact CE2-CG2 3.84Å; F440-I455 WeakPolarHBondContact CE2-O 3.25Å; F440-I455 HydrophobicContact CG-CG1 4.02Å; F440-I455 HydrophobicContact CG-CG2 4.25Å; F440-I455 HydrophobicContact CZ-CB 4.28Å; F440-I455 HydrophobicContact CZ-CG1 3.8Å; G441-I455 WeakPolarHBondContact O-CG2 3.33Å; E443-I455 HydrophobicContact CB-CG2 4.45Å; E443-I455 HydrophobicContact CG-CG2 4.33Å; E451-I455 WeakPolarHBondContact O-CB 3.46Å; E451-I455 VanDerWaalsContact O-CG1 3.28Å; E451-I455 WeakPolarHBondContact O-CG1 3.3Å; E451-I455 PolarHBondContact O-N 2.97Å; Q452-I455 PolarHBondContact O-N 3.2Å; F453-I455 PolarHBondContact O-N 2.97Å; I455-A458 PolarHBondContact O-N 3.45Å; I455-N459 PolarHBondContact O-N 2.83Å; I455-N459 VanDerWaalsContact O-N 3.12Å; I455-N459 PolarHBondContact O-ND2 3.3Å |
| 456 | N | 87.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71 | -36.5 | -177.3 | -69.7 | -19.3 | 0 | 0 | 0 | 111.1 | F442 E443 Q452 F453 N459 E460 Y562 | F442-N456 HydrophobicContact CD2-CB 4.15Å; F442-N456 WeakPolarHBondContact CD2-OD1 3.31Å; F442-N456 HydrophobicContact CE2-CB 3.89Å; E443-N456 PolarHBondContact N-OD1 2.96Å; E443-N456 PolarHBondContact O-ND2 3.46Å; E443-N456 PolarHBondContact O-OD1 3.38Å; Q452-N456 WeakPolarHBondContact O-CB 3.49Å; Q452-N456 VanDerWaalsContact O-CG 3.25Å; Q452-N456 PolarHBondContact O-N 3.23Å; Q452-N456 PolarHBondContact O-ND2 3.07Å; F453-N456 PolarHBondContact O-N 2.98Å; N456-N459 PolarHBondContact O-N 3.13Å; N456-E460 WeakPolarHBondContact O-CB 3.48Å; N456-E460 PolarHBondContact O-N 2.94Å; N456-Y562 WeakPolarHBondContact CB-OH 3.2Å; N456-Y562 PolarHBondContact ND2-OH 3.14Å |
| 457 | Y | 86.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 171.5 | 165.4 | -123.1 | 0 | 0 | 0 | 112.8 | F453 N459 E460 K461 L497 I500 E501 L510 L644 Q645 L648 | F453-Y457 VanDerWaalsContact O-CB 3.28Å; F453-Y457 WeakPolarHBondContact O-CB 3.36Å; F453-Y457 PolarHBondContact O-N 2.93Å; Y457-N459 VanDerWaalsContact C-N 3.32Å; Y457-N459 PolarHBondContact O-N 2.92Å; Y457-E460 WeakPolarHBondContact O-CB 3.49Å; Y457-E460 PolarHBondContact O-N 2.97Å; Y457-K461 HydrophobicContact CD2-CG 4.43Å; Y457-K461 HydrophobicContact CE2-CG 3.85Å; Y457-K461 PolarHBondContact O-N 2.91Å; Y457-L497 HydrophobicContact CD2-CD2 4.12Å; Y457-L497 HydrophobicContact CE2-CD2 4.03Å; Y457-I500 HydrophobicContact CD2-CB 4.26Å; Y457-I500 HydrophobicContact CD2-CD1 4.08Å; Y457-I500 HydrophobicContact CD2-CG2 3.51Å; Y457-I500 HydrophobicContact CE2-CB 4.49Å; Y457-I500 HydrophobicContact CE2-CG2 3.8Å; Y457-I500 HydrophobicContact CG-CG2 4.04Å; Y457-E501 HydrophobicContact CE2-CG 3.75Å; Y457-E501 WeakPolarHBondContact OH-CG 3.33Å; Y457-E501 PolarHBondContact OH-OE1 3.23Å; Y457-L510 HydrophobicContact CD1-CD1 4.43Å; Y457-L510 HydrophobicContact CE1-CD1 3.98Å; Y457-L510 HydrophobicContact CE2-CD1 4.47Å; Y457-L644 HydrophobicContact CD1-CD2 3.46Å; Y457-L644 VanDerWaalsContact CD1-CD2 3.46Å; Y457-L644 HydrophobicContact CE1-CD2 3.36Å; Y457-Q645 HydrophobicContact CE1-CG 4.47Å; Y457-L648 HydrophobicContact CD1-CD1 4.03Å; Y457-L648 HydrophobicContact CE1-CD1 3.57Å |
| 458 | A | 84.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I244 F440 N454 I455 K461 L462 L648 | I244-A458 HydrophobicContact CD1-CB 3.53Å; F440-A458 HydrophobicContact CE2-CB 3.9Å; F440-A458 HydrophobicContact CZ-CB 4.08Å; N454-A458 PolarHBondContact O-N 3.21Å; N454-A458 VanDerWaalsContact O-N 3.11Å; I455-A458 PolarHBondContact O-N 3.45Å; A458-K461 PolarHBondContact O-N 3.44Å; A458-L462 WeakPolarHBondContact O-CG 3.36Å; A458-L462 PolarHBondContact O-N 2.69Å; A458-L648 HydrophobicContact CB-CD1 4Å; A458-L648 HydrophobicContact CB-CD2 4.07Å |
| 459 | N | 86.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.027 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 173.7 | -84.7 | -85.7 | 0 | 0 | 0 | 112 | I439 F440 G441 F442 I455 N456 Y457 K461 L462 Q463 Y556 | I439-N459 WeakPolarHBondContact CD1-OD1 3.3Å; F440-N459 PolarHBondContact O-ND2 3.45Å; F440-N459 VanDerWaalsContact O-ND2 3.08Å; F440-N459 PolarHBondContact O-OD1 3.22Å; G441-N459 PolarHBondContact O-ND2 2.88Å; F442-N459 HydrophobicContact CD2-CB 4.42Å; F442-N459 PolarHBondContact N-OD1 3.43Å; I455-N459 PolarHBondContact O-N 2.83Å; I455-N459 VanDerWaalsContact O-N 3.12Å; I455-N459 PolarHBondContact O-ND2 3.3Å; N456-N459 PolarHBondContact O-N 3.13Å; Y457-N459 VanDerWaalsContact C-N 3.32Å; Y457-N459 PolarHBondContact O-N 2.92Å; N459-K461 VanDerWaalsContact C-N 3.29Å; N459-K461 PolarHBondContact O-N 2.91Å; N459-L462 PolarHBondContact O-N 3.33Å; N459-Q463 PolarHBondContact O-N 2.78Å; N459-Y556 HydrophobicContact CB-CE1 4.23Å |
| 460 | E | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 174.6 | -159.6 | 69.8 | -122.5 | 0 | 0 | 110.7 | N456 Y457 Q463 E464 N493 L497 H555 Y556 | N456-E460 WeakPolarHBondContact O-CB 3.48Å; N456-E460 PolarHBondContact O-N 2.94Å; Y457-E460 WeakPolarHBondContact O-CB 3.49Å; Y457-E460 PolarHBondContact O-N 2.97Å; E460-Q463 PolarHBondContact O-N 3.31Å; E460-E464 PolarHBondContact O-N 3.46Å; E460-N493 PolarHBondContact O-ND2 2.97Å; E460-N493 VanDerWaalsContact OE1-CB 3.29Å; E460-N493 WeakPolarHBondContact OE1-CB 3.39Å; E460-N493 PolarHBondContact OE1-ND2 3.41Å; E460-L497 HydrophobicContact CB-CD2 3.82Å; E460-L497 HydrophobicContact CB-CG 4.47Å; E460-L497 HydrophobicContact CG-CD2 3.65Å; E460-L497 HydrophobicContact CG-CG 3.81Å; E460-H555 VanDerWaalsContact OE2-CA 3.27Å; E460-H555 WeakPolarHBondContact OE2-CA 3.34Å; E460-H555 VanDerWaalsContact OE2-CB 3.23Å; E460-H555 WeakPolarHBondContact OE2-CB 3.44Å; E460-H555 IonicContact OE2-CG 2.62Å; E460-H555 IonicContact OE2-ND1 3.9Å; E460-H555 PolarHBondContact OE2-ND1 3.44Å; E460-Y556 WeakPolarHBondContact OE1-CB 3.36Å; E460-Y556 PolarHBondContact OE1-N 3.49Å; E460-Y556 PolarHBondContact OE2-N 2.94Å; E460-Y556 VanDerWaalsContact OE2-N 3.15Å |
| 461 | K | 87 | Confident | 86.2 | Confident | 18 Ų | 18 | 14.9 Ų | 14.9 | 8% | 0.078 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 176.3 | -87.6 | -60.2 | -174.8 | -163.3 | 0 | 114.1 | Y457 A458 N459 Q463 E464 Y465 L497 E501 M652 | Y457-K461 HydrophobicContact CD2-CG 4.43Å; Y457-K461 HydrophobicContact CE2-CG 3.85Å; Y457-K461 PolarHBondContact O-N 2.91Å; A458-K461 PolarHBondContact O-N 3.44Å; N459-K461 VanDerWaalsContact C-N 3.29Å; N459-K461 PolarHBondContact O-N 2.91Å; K461-Q463 VanDerWaalsContact C-N 3.33Å; K461-E464 WeakPolarHBondContact CD-OE2 3.32Å; K461-E464 IonicContact NZ-OE1 3.98Å; K461-E464 IonicContact NZ-OE2 3.53Å; K461-E464 PolarHBondContact NZ-OE2 2.96Å; K461-E464 VanDerWaalsContact NZ-OE2 3.08Å; K461-E464 PolarHBondContact O-N 2.96Å; K461-Y465 PolarHBondContact O-N 3.3Å; K461-L497 HydrophobicContact CB-CD2 4.45Å; K461-L497 HydrophobicContact CD-CD1 3.79Å; K461-L497 HydrophobicContact CD-CD2 3.66Å; K461-L497 HydrophobicContact CD-CG 4.31Å; K461-L497 HydrophobicContact CG-CD2 3.66Å; K461-E501 WeakPolarHBondContact CE-OE1 3.49Å; K461-E501 WeakPolarHBondContact CE-OE2 3.42Å; K461-E501 VanDerWaalsContact NZ-CD 3.25Å; K461-E501 IonicContact NZ-OE1 2.81Å; K461-E501 PolarHBondContact NZ-OE1 3.44Å; K461-E501 IonicContact NZ-OE2 2.87Å; K461-E501 PolarHBondContact NZ-OE2 2.99Å; K461-M652 HydrophobicContact CB-CE 3.92Å |
| 462 | L | 86.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 16.4 Ų | 16.4 | 11% | 0.105 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -70.7 | -32.5 | 176.9 | -73.9 | 164.7 | 0 | 0 | 0 | 112.2 | L154 L437 I439 A458 N459 Y465 F466 M652 L655 | L154-L462 HydrophobicContact CD2-CD2 4.25Å; L437-L462 HydrophobicContact CD2-CD1 4.14Å; L437-L462 HydrophobicContact CD2-CD2 3.52Å; I439-L462 HydrophobicContact CB-CD1 4.21Å; I439-L462 HydrophobicContact CD1-CD1 3.1Å; I439-L462 HydrophobicContact CD1-CG 4.47Å; I439-L462 HydrophobicContact CG1-CD1 3.48Å; I439-L462 VanDerWaalsContact CG1-CD1 3.48Å; I439-L462 HydrophobicContact CG2-CD1 4.01Å; A458-L462 WeakPolarHBondContact O-CG 3.36Å; A458-L462 PolarHBondContact O-N 2.69Å; N459-L462 PolarHBondContact O-N 3.33Å; L462-Y465 PolarHBondContact O-N 3.35Å; L462-F466 PolarHBondContact O-N 2.9Å; L462-M652 HydrophobicContact CD2-CE 3.37Å; L462-M652 HydrophobicContact CD2-SD 4.26Å; L462-M652 HydrophobicContact CG-CE 3.61Å; L462-L655 HydrophobicContact CD2-CD1 4.27Å |
| 463 | Q | 88.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.2 | -38.1 | 172.3 | -172.7 | 63.1 | 24.9 | 0 | 0 | 111.7 | N459 E460 K461 F466 N467 Y556 R664 S689 | N459-Q463 PolarHBondContact O-N 2.78Å; E460-Q463 PolarHBondContact O-N 3.31Å; K461-Q463 VanDerWaalsContact C-N 3.33Å; Q463-F466 WeakPolarHBondContact O-CB 3.17Å; Q463-F466 PolarHBondContact O-N 3.19Å; Q463-N467 PolarHBondContact NE2-OD1 2.85Å; Q463-N467 WeakPolarHBondContact O-CB 3.48Å; Q463-N467 PolarHBondContact O-N 3.42Å; Q463-Y556 HydrophobicContact CB-CD1 4.19Å; Q463-Y556 HydrophobicContact CB-CD2 4.35Å; Q463-Y556 HydrophobicContact CB-CE1 4.23Å; Q463-Y556 HydrophobicContact CB-CE2 4.37Å; Q463-Y556 HydrophobicContact CB-CG 4.26Å; Q463-Y556 HydrophobicContact CG-CD1 4.36Å; Q463-Y556 HydrophobicContact CG-CD2 3.76Å; Q463-Y556 HydrophobicContact CG-CE2 4.07Å; Q463-Y556 HydrophobicContact CG-CG 3.91Å; Q463-R664 VanDerWaalsContact OE1-NH1 3.12Å; Q463-S689 PolarHBondContact NE2-O 3.07Å |
| 464 | E | 90.1 | Very high | 86.2 | Confident | 57 Ų | 57 | 20.6 Ų | 20.6 | 27% | 0.266 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 171.2 | 177 | -159.8 | -147.4 | 0 | 0 | 111 | E460 K461 F466 N467 K468 N493 L497 | E460-E464 PolarHBondContact O-N 3.46Å; K461-E464 WeakPolarHBondContact CD-OE2 3.32Å; K461-E464 IonicContact NZ-OE1 3.98Å; K461-E464 IonicContact NZ-OE2 3.53Å; K461-E464 PolarHBondContact NZ-OE2 2.96Å; K461-E464 VanDerWaalsContact NZ-OE2 3.08Å; K461-E464 PolarHBondContact O-N 2.96Å; E464-F466 VanDerWaalsContact C-N 3.27Å; E464-F466 PolarHBondContact O-N 2.95Å; E464-N467 PolarHBondContact O-N 2.8Å; E464-K468 VanDerWaalsContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CB 3.2Å; E464-K468 PolarHBondContact O-N 3Å; E464-N493 WeakPolarHBondContact CA-OD1 3.3Å; E464-L497 HydrophobicContact CB-CD1 3.33Å; E464-L497 HydrophobicContact CG-CD1 3.72Å; E464-L497 WeakPolarHBondContact OE2-CD1 3.29Å |
| 465 | Y | 89.2 | Confident | 86.3 | Confident | 13 Ų | 13 | 20.6 Ų | 20.6 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 176.7 | 176.5 | -86.1 | 0 | 0 | 0 | 111.8 | L154 K461 L462 H469 M652 L655 P660 F662 | L154-Y465 HydrophobicContact CD1-CE1 4.12Å; L154-Y465 HydrophobicContact CD2-CD1 3.75Å; L154-Y465 HydrophobicContact CD2-CE1 3.68Å; K461-Y465 PolarHBondContact O-N 3.3Å; L462-Y465 PolarHBondContact O-N 3.35Å; Y465-H469 AromaticContact CD1-ND1 3.87Å; Y465-H469 AromaticContact CD2-CE1 3.68Å; Y465-H469 AromaticContact CD2-ND1 3.76Å; Y465-H469 AromaticContact CE1-CE1 3.89Å; Y465-H469 AromaticContact CE1-ND1 3.61Å; Y465-H469 AromaticContact CE2-CE1 3.08Å; Y465-H469 WeakPolarHBondContact CE2-CE1 3.22Å; Y465-H469 AromaticContact CE2-ND1 3.52Å; Y465-H469 AromaticContact CE2-NE2 3.99Å; Y465-H469 AromaticContact CG-ND1 3.93Å; Y465-H469 AromaticContact CZ-CE1 3.19Å; Y465-H469 AromaticContact CZ-ND1 3.42Å; Y465-H469 AromaticContact CZ-NE2 3.79Å; Y465-H469 PolarHBondContact O-N 2.99Å; Y465-H469 PolarHBondContact O-ND1 2.94Å; Y465-H469 PolarHBondContact OH-CE1 3.35Å; Y465-M652 HydrophobicContact CD2-SD 4.16Å; Y465-M652 HydrophobicContact CG-SD 4.33Å; Y465-L655 HydrophobicContact CD2-CB 4.48Å; Y465-L655 HydrophobicContact CE2-CB 3.73Å; Y465-L655 PolarHBondContact OH-O 3.32Å; Y465-P660 HydrophobicContact CE1-CB 4.21Å; Y465-F662 HydrophobicContact CD1-CE1 4.24Å; Y465-F662 HydrophobicContact CD1-CZ 4.44Å; Y465-F662 HydrophobicContact CE1-CE1 4.1Å; Y465-F662 HydrophobicContact CE1-CZ 4.08Å |
| 466 | F | 88.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -53.2 | 174.4 | 175.2 | -91.2 | 0 | 0 | 0 | 111.5 | I99 L462 Q463 E464 K468 H469 I470 F471 F662 T694 | I99-F466 HydrophobicContact CD1-CE2 4.26Å; I99-F466 HydrophobicContact CD1-CZ 4.41Å; L462-F466 PolarHBondContact O-N 2.9Å; Q463-F466 WeakPolarHBondContact O-CB 3.17Å; Q463-F466 PolarHBondContact O-N 3.19Å; E464-F466 VanDerWaalsContact C-N 3.27Å; E464-F466 PolarHBondContact O-N 2.95Å; F466-K468 VanDerWaalsContact C-N 3.25Å; F466-K468 PolarHBondContact O-N 3.3Å; F466-H469 PolarHBondContact O-N 2.79Å; F466-H469 VanDerWaalsContact O-N 3.14Å; F466-I470 HydrophobicContact CD1-CG1 4.25Å; F466-I470 HydrophobicContact CD2-CG1 3.86Å; F466-I470 HydrophobicContact CE1-CB 4.39Å; F466-I470 HydrophobicContact CE1-CG1 4.03Å; F466-I470 HydrophobicContact CE2-CD1 4.32Å; F466-I470 HydrophobicContact CE2-CG1 3.62Å; F466-I470 HydrophobicContact CG-CG1 4.18Å; F466-I470 HydrophobicContact CZ-CB 4.46Å; F466-I470 HydrophobicContact CZ-CG1 3.72Å; F466-I470 WeakPolarHBondContact O-CB 3.43Å; F466-I470 WeakPolarHBondContact O-CG1 3.43Å; F466-I470 PolarHBondContact O-N 2.72Å; F466-F471 HydrophobicContact CE1-CE2 4.34Å; F466-F662 HydrophobicContact CB-CE1 4.31Å; F466-F662 HydrophobicContact CD2-CB 4.35Å; F466-F662 AromaticContact CD2-CD1 3.55Å; F466-F662 HydrophobicContact CD2-CD1 3.55Å; F466-F662 HydrophobicContact CD2-CD2 4.17Å; F466-F662 AromaticContact CD2-CE1 3.72Å; F466-F662 HydrophobicContact CD2-CE1 3.72Å; F466-F662 HydrophobicContact CD2-CE2 4.33Å; F466-F662 AromaticContact CD2-CG 3.76Å; F466-F662 HydrophobicContact CD2-CG 3.76Å; F466-F662 HydrophobicContact CD2-CZ 4.11Å; F466-F662 HydrophobicContact CE2-CB 4.12Å; F466-F662 HydrophobicContact CE2-CD1 4.16Å; F466-F662 HydrophobicContact CE2-CD2 4.2Å; F466-F662 AromaticContact CE2-CG 3.9Å; F466-F662 HydrophobicContact CE2-CG 3.9Å; F466-F662 HydrophobicContact CG-CE1 4.49Å; F466-T694 HydrophobicContact CZ-CG2 4.16Å |
| 467 | N | 88.7 | Confident | 86.1 | Confident | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | -179 | -74.8 | -17.2 | 0 | 0 | 0 | 111.1 | Q463 E464 F471 S472 M491 N493 | Q463-N467 PolarHBondContact NE2-OD1 2.85Å; Q463-N467 WeakPolarHBondContact O-CB 3.48Å; Q463-N467 PolarHBondContact O-N 3.42Å; E464-N467 PolarHBondContact O-N 2.8Å; N467-F471 HydrophobicContact CB-CD2 4.35Å; N467-F471 WeakPolarHBondContact O-CB 3.41Å; N467-F471 PolarHBondContact O-N 3.05Å; N467-S472 PolarHBondContact O-N 3.3Å; N467-M491 PolarHBondContact ND2-O 3.16Å; N467-N493 PolarHBondContact ND2-OD1 2.74Å |
| 468 | K | 87.4 | Confident | 86 | Confident | 111 Ų | 111 | 27.2 Ų | 27.2 | 48% | 0.483 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -63.3 | -43.6 | 176.9 | -173.7 | 173.7 | -178.3 | 174.6 | 0 | 112.4 | E464 F466 S472 L473 | E464-K468 VanDerWaalsContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CB 3.2Å; E464-K468 PolarHBondContact O-N 3Å; F466-K468 VanDerWaalsContact C-N 3.25Å; F466-K468 PolarHBondContact O-N 3.3Å; K468-S472 WeakPolarHBondContact O-CB 3.39Å; K468-S472 PolarHBondContact O-N 3.03Å; K468-L473 HydrophobicContact CG-CD1 4.26Å; K468-L473 HydrophobicContact CG-CG 4.12Å; K468-L473 WeakPolarHBondContact O-CB 3.33Å; K468-L473 WeakPolarHBondContact O-CG 3.35Å; K468-L473 PolarHBondContact O-N 3.19Å |
| 469 | H | 86.5 | Confident | 85.9 | Confident | 38 Ų | 38 | 31.3 Ų | 31.3 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -75 | -41 | -179.5 | -82.9 | 79.4 | 0 | 0 | 0 | 113.6 | Y465 F466 F662 | Y465-H469 AromaticContact CD1-ND1 3.87Å; Y465-H469 AromaticContact CD2-CE1 3.68Å; Y465-H469 AromaticContact CD2-ND1 3.76Å; Y465-H469 AromaticContact CE1-CE1 3.89Å; Y465-H469 AromaticContact CE1-ND1 3.61Å; Y465-H469 AromaticContact CE2-CE1 3.08Å; Y465-H469 WeakPolarHBondContact CE2-CE1 3.22Å; Y465-H469 AromaticContact CE2-ND1 3.52Å; Y465-H469 AromaticContact CE2-NE2 3.99Å; Y465-H469 AromaticContact CG-ND1 3.93Å; Y465-H469 AromaticContact CZ-CE1 3.19Å; Y465-H469 AromaticContact CZ-ND1 3.42Å; Y465-H469 AromaticContact CZ-NE2 3.79Å; Y465-H469 PolarHBondContact O-N 2.99Å; Y465-H469 PolarHBondContact O-ND1 2.94Å; Y465-H469 PolarHBondContact OH-CE1 3.35Å; F466-H469 PolarHBondContact O-N 2.79Å; F466-H469 VanDerWaalsContact O-N 3.14Å; H469-F662 HydrophobicContact CB-CE2 4.42Å; H469-F662 HydrophobicContact CB-CZ 4.07Å |
| 470 | I | 85.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -79.1 | -39.9 | -175.9 | -62.9 | -56.8 | 0 | 0 | 0 | 111.6 | I99 F466 E474 F662 T694 I697 | I99-I470 HydrophobicContact CD1-CD1 3.83Å; I99-I470 HydrophobicContact CD1-CG1 4.48Å; F466-I470 HydrophobicContact CD1-CG1 4.25Å; F466-I470 HydrophobicContact CD2-CG1 3.86Å; F466-I470 HydrophobicContact CE1-CB 4.39Å; F466-I470 HydrophobicContact CE1-CG1 4.03Å; F466-I470 HydrophobicContact CE2-CD1 4.32Å; F466-I470 HydrophobicContact CE2-CG1 3.62Å; F466-I470 HydrophobicContact CG-CG1 4.18Å; F466-I470 HydrophobicContact CZ-CB 4.46Å; F466-I470 HydrophobicContact CZ-CG1 3.72Å; F466-I470 WeakPolarHBondContact O-CB 3.43Å; F466-I470 WeakPolarHBondContact O-CG1 3.43Å; F466-I470 PolarHBondContact O-N 2.72Å; I470-E474 WeakPolarHBondContact O-CB 3.34Å; I470-F662 HydrophobicContact CD1-CD2 3.81Å; I470-F662 HydrophobicContact CD1-CE2 3.61Å; I470-F662 HydrophobicContact CG1-CD2 4.41Å; I470-F662 HydrophobicContact CG1-CE2 4.09Å; I470-T694 HydrophobicContact CG2-CG2 4.43Å; I470-I697 HydrophobicContact CG2-CG2 3.8Å; I470-I697 VanDerWaalsContact O-CD1 3.22Å; I470-I697 WeakPolarHBondContact O-CD1 3.42Å |
| 471 | F | 85.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -108.1 | -58.7 | -174.1 | -54.8 | -71.7 | 0 | 0 | 0 | 112.7 | F466 N467 Q475 W490 E693 I697 | F466-F471 HydrophobicContact CE1-CE2 4.34Å; N467-F471 HydrophobicContact CB-CD2 4.35Å; N467-F471 WeakPolarHBondContact O-CB 3.41Å; N467-F471 PolarHBondContact O-N 3.05Å; F471-Q475 WeakPolarHBondContact O-CB 3.4Å; F471-Q475 VanDerWaalsContact O-CG 3.26Å; F471-Q475 WeakPolarHBondContact O-CG 3.27Å; F471-Q475 PolarHBondContact O-N 2.72Å; F471-Q475 PolarHBondContact O-NE2 3.48Å; F471-W490 HydrophobicContact CB-CD2 3.47Å; F471-W490 VanDerWaalsContact CB-CD2 3.47Å; F471-W490 HydrophobicContact CB-CE3 3.6Å; F471-W490 HydrophobicContact CB-CG 3.98Å; F471-W490 HydrophobicContact CB-CH2 4.2Å; F471-W490 HydrophobicContact CB-CZ2 4.06Å; F471-W490 HydrophobicContact CB-CZ3 4.02Å; F471-W490 HydrophobicContact CD1-CB 4.26Å; F471-W490 HydrophobicContact CD1-CD2 4.44Å; F471-W490 HydrophobicContact CD1-CE3 4.37Å; F471-W490 HydrophobicContact CD1-CG 4.42Å; F471-W490 HydrophobicContact CD2-CB 3.92Å; F471-W490 AromaticContact CD2-CD1 3.94Å; F471-W490 HydrophobicContact CD2-CD2 4.15Å; F471-W490 AromaticContact CD2-CG 3.71Å; F471-W490 HydrophobicContact CD2-CG 3.71Å; F471-W490 HydrophobicContact CE1-CB 4.4Å; F471-W490 HydrophobicContact CE2-CB 4.07Å; F471-W490 HydrophobicContact CE2-CG 4.33Å; F471-W490 HydrophobicContact CG-CB 4.05Å; F471-W490 AromaticContact CG-CD2 3.79Å; F471-W490 HydrophobicContact CG-CD2 3.79Å; F471-W490 HydrophobicContact CG-CE3 4.06Å; F471-W490 AromaticContact CG-CG 3.79Å; F471-W490 HydrophobicContact CG-CG 3.79Å; F471-W490 HydrophobicContact CZ-CB 4.32Å; F471-E693 HydrophobicContact CE1-CB 3.83Å; F471-E693 HydrophobicContact CZ-CB 3.66Å; F471-I697 HydrophobicContact CD1-CB 4.26Å; F471-I697 HydrophobicContact CD1-CD1 3.66Å; F471-I697 HydrophobicContact CD1-CG2 4.03Å; F471-I697 HydrophobicContact CE1-CB 4.12Å; F471-I697 HydrophobicContact CE1-CD1 4.36Å; F471-I697 HydrophobicContact CE1-CG2 3.63Å; F471-I697 HydrophobicContact CG-CD1 4.5Å |
| 472 | S | 84.6 | Confident | 84.6 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -67.5 | -54.1 | -168.3 | -177.5 | 0 | 0 | 0 | 0 | 112.9 | N467 K468 E474 L476 | N467-S472 PolarHBondContact O-N 3.3Å; K468-S472 WeakPolarHBondContact O-CB 3.39Å; K468-S472 PolarHBondContact O-N 3.03Å; S472-E474 VanDerWaalsContact C-N 3.33Å; S472-E474 PolarHBondContact O-N 3.04Å; S472-L476 WeakPolarHBondContact O-CB 3.36Å; S472-L476 PolarHBondContact O-N 3.2Å |
| 473 | L | 82.9 | Confident | 84.1 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 38% | 0.377 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -34.6 | -178.5 | -70 | 175.5 | 0 | 0 | 0 | 112.1 | K468 E477 | K468-L473 HydrophobicContact CG-CD1 4.26Å; K468-L473 HydrophobicContact CG-CG 4.12Å; K468-L473 WeakPolarHBondContact O-CB 3.33Å; K468-L473 WeakPolarHBondContact O-CG 3.35Å; K468-L473 PolarHBondContact O-N 3.19Å; L473-E477 PolarHBondContact O-N 2.8Å |
| 474 | E | 81.3 | Confident | 83.6 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -47.4 | -179.9 | -170.2 | 154.6 | -173.8 | 0 | 0 | 111 | I470 S472 E477 Y478 R698 P703 | I470-E474 WeakPolarHBondContact O-CB 3.34Å; S472-E474 VanDerWaalsContact C-N 3.33Å; S472-E474 PolarHBondContact O-N 3.04Å; E474-E477 PolarHBondContact O-N 2.95Å; E474-Y478 HydrophobicContact CG-CE1 3.97Å; E474-Y478 HydrophobicContact CG-CE2 3.98Å; E474-Y478 VanDerWaalsContact CG-CZ 3.45Å; E474-Y478 VanDerWaalsContact CG-OH 3.22Å; E474-Y478 WeakPolarHBondContact CG-OH 3.19Å; E474-Y478 VanDerWaalsContact O-CD1 3.27Å; E474-Y478 WeakPolarHBondContact O-CD1 3.08Å; E474-Y478 VanDerWaalsContact O-CG 3.3Å; E474-Y478 PolarHBondContact O-N 3.2Å; E474-Y478 PolarHBondContact OE1-OH 3.33Å; E474-R698 IonicContact OE1-NH1 3.87Å; E474-R698 PolarHBondContact OE1-NH1 3.39Å; E474-R698 IonicContact OE2-CZ 2.64Å; E474-R698 IonicContact OE2-NH1 2.99Å; E474-R698 PolarHBondContact OE2-NH1 3.32Å; E474-P703 WeakPolarHBondContact OE1-CA 3.47Å |
| 475 | Q | 84.1 | Confident | 83.1 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.5 | -35.5 | 178 | -65.8 | -178.5 | 94.4 | 0 | 0 | 112.9 | F471 E477 Y478 N479 W485 D487 I697 | F471-Q475 WeakPolarHBondContact O-CB 3.4Å; F471-Q475 VanDerWaalsContact O-CG 3.26Å; F471-Q475 WeakPolarHBondContact O-CG 3.27Å; F471-Q475 PolarHBondContact O-N 2.72Å; F471-Q475 PolarHBondContact O-NE2 3.48Å; Q475-E477 VanDerWaalsContact C-N 3.27Å; Q475-E477 PolarHBondContact O-N 3.4Å; Q475-Y478 PolarHBondContact O-N 3.29Å; Q475-Y478 VanDerWaalsContact O-N 3.16Å; Q475-N479 PolarHBondContact O-N 3.43Å; Q475-N479 PolarHBondContact O-ND2 2.99Å; Q475-W485 HydrophobicContact CG-CZ2 4.35Å; Q475-D487 VanDerWaalsContact OE1-CA 3.27Å; Q475-I697 HydrophobicContact CG-CD1 4.06Å |
| 476 | L | 85.5 | Confident | 82.8 | Confident | 104 Ų | 104 | 53.2 Ų | 53.2 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 174.8 | -174.5 | 143.6 | 0 | 0 | 0 | 111.7 | S472 K480 | S472-L476 WeakPolarHBondContact O-CB 3.36Å; S472-L476 PolarHBondContact O-N 3.2Å; L476-K480 VanDerWaalsContact O-CB 3.3Å; L476-K480 WeakPolarHBondContact O-CB 3.4Å; L476-K480 PolarHBondContact O-N 2.82Å |
| 477 | E | 80.3 | Confident | 82.5 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 174.5 | -159.7 | 77.1 | -136.4 | 0 | 0 | 111.7 | L473 E474 Q475 N479 K480 E481 R705 F753 | L473-E477 PolarHBondContact O-N 2.8Å; E474-E477 PolarHBondContact O-N 2.95Å; Q475-E477 VanDerWaalsContact C-N 3.27Å; Q475-E477 PolarHBondContact O-N 3.4Å; E477-N479 VanDerWaalsContact C-N 3.3Å; E477-N479 PolarHBondContact O-N 3.32Å; E477-K480 PolarHBondContact O-N 2.84Å; E477-K480 IonicContact OE1-NZ 3.47Å; E477-E481 PolarHBondContact O-N 2.64Å; E477-R705 VanDerWaalsContact CG-NH1 3.34Å; E477-R705 IonicContact OE1-NH1 3.06Å; E477-R705 IonicContact OE2-CZ 3.98Å; E477-R705 IonicContact OE2-NH1 3.77Å; E477-R705 PolarHBondContact OE2-NH1 3.47Å; E477-F753 HydrophobicContact CG-CZ 4.34Å |
| 478 | Y | 83.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 176.9 | -60.4 | -14 | 0 | 0 | 0 | 111.8 | E474 Q475 E481 G482 L483 W485 F702 F753 | E474-Y478 HydrophobicContact CG-CE1 3.97Å; E474-Y478 HydrophobicContact CG-CE2 3.98Å; E474-Y478 VanDerWaalsContact CG-CZ 3.45Å; E474-Y478 VanDerWaalsContact CG-OH 3.22Å; E474-Y478 WeakPolarHBondContact CG-OH 3.19Å; E474-Y478 VanDerWaalsContact O-CD1 3.27Å; E474-Y478 WeakPolarHBondContact O-CD1 3.08Å; E474-Y478 VanDerWaalsContact O-CG 3.3Å; E474-Y478 PolarHBondContact O-N 3.2Å; E474-Y478 PolarHBondContact OE1-OH 3.33Å; Q475-Y478 PolarHBondContact O-N 3.29Å; Q475-Y478 VanDerWaalsContact O-N 3.16Å; Y478-E481 PolarHBondContact O-N 2.91Å; Y478-G482 PolarHBondContact O-N 3.47Å; Y478-G482 VanDerWaalsContact O-N 3.09Å; Y478-L483 HydrophobicContact CD1-CD1 3.66Å; Y478-L483 HydrophobicContact CE1-CD1 4.4Å; Y478-L483 HydrophobicContact CG-CD1 3.98Å; Y478-L483 PolarHBondContact O-N 3.09Å; Y478-W485 AromaticContact CD2-CD2 3.73Å; Y478-W485 HydrophobicContact CD2-CD2 3.73Å; Y478-W485 AromaticContact CD2-CE2 3.9Å; Y478-W485 HydrophobicContact CD2-CE3 4.11Å; Y478-W485 AromaticContact CD2-CG 3.93Å; Y478-W485 HydrophobicContact CD2-CG 3.93Å; Y478-W485 HydrophobicContact CD2-CZ2 4.37Å; Y478-W485 HydrophobicContact CE2-CD2 4.16Å; Y478-W485 HydrophobicContact CE2-CE3 4.2Å; Y478-W485 HydrophobicContact CE2-CH2 4.14Å; Y478-W485 HydrophobicContact CE2-CZ2 4.15Å; Y478-W485 HydrophobicContact CE2-CZ3 4.2Å; Y478-F702 PolarHBondContact OH-N 2.92Å; Y478-F702 PolarHBondContact OH-O 2.9Å; Y478-F753 HydrophobicContact CD1-CD1 4.4Å; Y478-F753 HydrophobicContact CD1-CE1 4.01Å; Y478-F753 HydrophobicContact CE1-CD1 4.18Å; Y478-F753 HydrophobicContact CE1-CE1 4.04Å |
| 479 | N | 83.7 | Confident | 82.1 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.2 | -71.5 | -24.2 | 0 | 0 | 0 | 111.8 | Q475 E477 G482 | Q475-N479 PolarHBondContact O-N 3.43Å; Q475-N479 PolarHBondContact O-ND2 2.99Å; E477-N479 VanDerWaalsContact C-N 3.3Å; E477-N479 PolarHBondContact O-N 3.32Å; N479-G482 PolarHBondContact O-N 2.96Å |
| 480 | K | 83.1 | Confident | 81.9 | Confident | 152 Ų | 152 | 61.5 Ų | 61.5 | 66% | 0.661 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 176.8 | -175.1 | -176.1 | 173.9 | -165.7 | 0 | 112.9 | L476 E477 G482 | L476-K480 VanDerWaalsContact O-CB 3.3Å; L476-K480 WeakPolarHBondContact O-CB 3.4Å; L476-K480 PolarHBondContact O-N 2.82Å; E477-K480 PolarHBondContact O-N 2.84Å; E477-K480 IonicContact OE1-NZ 3.47Å; K480-G482 VanDerWaalsContact C-N 3.31Å |
| 481 | E | 76.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.3 | 179 | -66.5 | -76.6 | 152 | 0 | 0 | 112.9 | E477 Y478 F753 | E477-E481 PolarHBondContact O-N 2.64Å; Y478-E481 PolarHBondContact O-N 2.91Å; E481-F753 HydrophobicContact CB-CE2 3.96Å; E481-F753 HydrophobicContact CB-CZ 4.19Å; E481-F753 HydrophobicContact CG-CE2 3.86Å; E481-F753 HydrophobicContact CG-CZ 3.85Å |
| 482 | G | 75 | Confident | 81.5 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 32.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y478 N479 K480 | Y478-G482 PolarHBondContact O-N 3.47Å; Y478-G482 VanDerWaalsContact O-N 3.09Å; N479-G482 PolarHBondContact O-N 2.96Å; K480-G482 VanDerWaalsContact C-N 3.31Å |
| 483 | L | 75.8 | Confident | 81.6 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | trans | -68.5 | 143.2 | 174.2 | -75.5 | 170.8 | 0 | 0 | 0 | 110.8 | Y478 W485 F702 V746 F753 | Y478-L483 HydrophobicContact CD1-CD1 3.66Å; Y478-L483 HydrophobicContact CE1-CD1 4.4Å; Y478-L483 HydrophobicContact CG-CD1 3.98Å; Y478-L483 PolarHBondContact O-N 3.09Å; L483-W485 PolarHBondContact O-N 3.48Å; L483-F702 HydrophobicContact CD1-CD2 4.5Å; L483-V746 HydrophobicContact CD2-CG2 3.23Å; L483-V746 HydrophobicContact CG-CG2 3.95Å; L483-F753 HydrophobicContact CD1-CD1 4Å; L483-F753 HydrophobicContact CD1-CD2 4.01Å; L483-F753 HydrophobicContact CD1-CE1 4.16Å; L483-F753 HydrophobicContact CD1-CE2 4.18Å; L483-F753 HydrophobicContact CD1-CG 3.91Å; L483-F753 HydrophobicContact CD1-CZ 4.26Å | ||
| 484 | V | 78.4 | Confident | 81.8 | Confident | 153 Ų | 153 | 67.8 Ų | 67.8 | 93% | 0.927 | 37% | 0.367 | S | S | * | . | trans | -71.6 | 96.6 | 169.1 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 485 | W | 79.2 | Confident | 82 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 15% | 0.148 | 39% | 0.388 | C | S | . | . | trans | -130.2 | 145.1 | -175.9 | -179.7 | -108 | 0 | 0 | 0 | 110.3 | Q475 Y478 L483 D487 I488 I697 S700 | Q475-W485 HydrophobicContact CG-CZ2 4.35Å; Y478-W485 AromaticContact CD2-CD2 3.73Å; Y478-W485 HydrophobicContact CD2-CD2 3.73Å; Y478-W485 AromaticContact CD2-CE2 3.9Å; Y478-W485 HydrophobicContact CD2-CE3 4.11Å; Y478-W485 AromaticContact CD2-CG 3.93Å; Y478-W485 HydrophobicContact CD2-CG 3.93Å; Y478-W485 HydrophobicContact CD2-CZ2 4.37Å; Y478-W485 HydrophobicContact CE2-CD2 4.16Å; Y478-W485 HydrophobicContact CE2-CE3 4.2Å; Y478-W485 HydrophobicContact CE2-CH2 4.14Å; Y478-W485 HydrophobicContact CE2-CZ2 4.15Å; Y478-W485 HydrophobicContact CE2-CZ3 4.2Å; L483-W485 PolarHBondContact O-N 3.48Å; W485-D487 VanDerWaalsContact CD1-OD1 3.31Å; W485-I488 HydrophobicContact CH2-CD1 3.89Å; W485-I488 HydrophobicContact CZ2-CD1 3.66Å; W485-I488 HydrophobicContact CZ2-CG1 3.95Å; W485-I697 HydrophobicContact CH2-CG1 4.28Å; W485-I697 HydrophobicContact CZ2-CD1 4.48Å; W485-I697 HydrophobicContact CZ2-CG1 4.18Å; W485-S700 WeakPolarHBondContact CH2-OG 3.32Å; W485-S700 WeakPolarHBondContact CZ3-OG 3.33Å | ||
| 486 | V | 82.9 | Confident | 82.3 | Confident | 122 Ų | 122 | 72 Ų | 72 | 74% | 0.739 | 39% | 0.387 | S | S | * | . | trans | -108.2 | 117.8 | 170.2 | 178.2 | 0 | 0 | 0 | 0 | 106.4 | I488 | V486-I488 PolarHBondContact O-N 2.94Š| ||
| 487 | D | 82.9 | Confident | 82.4 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -58 | 128.9 | -179.4 | -70.5 | -26 | 0 | 0 | 0 | 110.4 | Q475 W485 | Q475-D487 VanDerWaalsContact OE1-CA 3.27Å; W485-D487 VanDerWaalsContact CD1-OD1 3.31Å |
| 488 | I | 82.3 | Confident | 82.8 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 127.7 | 175.8 | -63.2 | 174.1 | 0 | 0 | 0 | 106.3 | W485 V486 W490 K696 I697 | W485-I488 HydrophobicContact CH2-CD1 3.89Å; W485-I488 HydrophobicContact CZ2-CD1 3.66Å; W485-I488 HydrophobicContact CZ2-CG1 3.95Å; V486-I488 PolarHBondContact O-N 2.94Å; I488-W490 WeakPolarHBondContact O-CZ3 3.43Å; I488-K696 HydrophobicContact CD1-CB 4.26Å; I488-I697 HydrophobicContact CD1-CB 3.86Å; I488-I697 HydrophobicContact CD1-CG1 4.25Å |
| 489 | N | 83.4 | Confident | 83 | Confident | 144 Ų | 144 | 68.5 Ų | 68.5 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 139.4 | 172.3 | -66.6 | -21.2 | 0 | 0 | 0 | 110.3 | ||
| 490 | W | 82.5 | Confident | 83.1 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 28% | 0.284 | 35% | 0.348 | S | S | . | . | trans | -130.3 | 165.1 | 173.9 | 65.2 | 94.4 | 0 | 0 | 0 | 110.6 | F471 I488 D492 E693 | F471-W490 HydrophobicContact CB-CD2 3.47Å; F471-W490 VanDerWaalsContact CB-CD2 3.47Å; F471-W490 HydrophobicContact CB-CE3 3.6Å; F471-W490 HydrophobicContact CB-CG 3.98Å; F471-W490 HydrophobicContact CB-CH2 4.2Å; F471-W490 HydrophobicContact CB-CZ2 4.06Å; F471-W490 HydrophobicContact CB-CZ3 4.02Å; F471-W490 HydrophobicContact CD1-CB 4.26Å; F471-W490 HydrophobicContact CD1-CD2 4.44Å; F471-W490 HydrophobicContact CD1-CE3 4.37Å; F471-W490 HydrophobicContact CD1-CG 4.42Å; F471-W490 HydrophobicContact CD2-CB 3.92Å; F471-W490 AromaticContact CD2-CD1 3.94Å; F471-W490 HydrophobicContact CD2-CD2 4.15Å; F471-W490 AromaticContact CD2-CG 3.71Å; F471-W490 HydrophobicContact CD2-CG 3.71Å; F471-W490 HydrophobicContact CE1-CB 4.4Å; F471-W490 HydrophobicContact CE2-CB 4.07Å; F471-W490 HydrophobicContact CE2-CG 4.33Å; F471-W490 HydrophobicContact CG-CB 4.05Å; F471-W490 AromaticContact CG-CD2 3.79Å; F471-W490 HydrophobicContact CG-CD2 3.79Å; F471-W490 HydrophobicContact CG-CE3 4.06Å; F471-W490 AromaticContact CG-CG 3.79Å; F471-W490 HydrophobicContact CG-CG 3.79Å; F471-W490 HydrophobicContact CZ-CB 4.32Å; I488-W490 WeakPolarHBondContact O-CZ3 3.43Å; W490-D492 PolarHBondContact O-N 3.43Å; W490-E693 HydrophobicContact CB-CG 4.45Å | ||
| 491 | M | 79.1 | Confident | 83.1 | Confident | 119 Ų | 119 | 58.8 Ų | 58.8 | 59% | 0.586 | 32% | 0.324 | S | S | * | . | trans | -77.3 | 103.8 | 172.3 | -69.8 | -170.7 | -71.6 | 0 | 0 | 109.7 | N467 R687 | N467-M491 PolarHBondContact ND2-O 3.16Å; M491-R687 WeakPolarHBondContact CE-O 3.11Å | ||
| 492 | D | 83.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | trans | -82.3 | 130.2 | 174.6 | -168.9 | 8.1 | 0 | 0 | 0 | 110.8 | W490 A494 | W490-D492 PolarHBondContact O-N 3.43Å; D492-A494 WeakPolarHBondContact OD1-CB 3.34Å; D492-A494 PolarHBondContact OD1-N 3.37Å | ||
| 493 | N | 87.6 | Confident | 81.9 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.043 | 34% | 0.342 | C | S | . | . | trans | -106.2 | 7.3 | 179.2 | 69.9 | -42.1 | 0 | 0 | 0 | 113 | E460 E464 N467 E495 C496 L497 | E460-N493 PolarHBondContact O-ND2 2.97Å; E460-N493 VanDerWaalsContact OE1-CB 3.29Å; E460-N493 WeakPolarHBondContact OE1-CB 3.39Å; E460-N493 PolarHBondContact OE1-ND2 3.41Å; E464-N493 WeakPolarHBondContact CA-OD1 3.3Å; N467-N493 PolarHBondContact ND2-OD1 2.74Å; N493-E495 VanDerWaalsContact C-N 3.26Å; N493-E495 PolarHBondContact O-N 3.18Å; N493-C496 WeakPolarHBondContact O-CB 3.48Å; N493-C496 PolarHBondContact O-N 3.44Å; N493-C496 VanDerWaalsContact O-N 3.12Å; N493-L497 PolarHBondContact O-N 2.97Å | ||
| 494 | A | 85.9 | Confident | 80.2 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.5 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D492 C496 L497 D498 | D492-A494 WeakPolarHBondContact OD1-CB 3.34Å; D492-A494 PolarHBondContact OD1-N 3.37Å; A494-C496 VanDerWaalsContact C-N 3.33Å; A494-C496 PolarHBondContact O-N 3.25Å; A494-L497 PolarHBondContact O-N 3.07Å; A494-D498 VanDerWaalsContact O-CB 3.27Å; A494-D498 WeakPolarHBondContact O-CB 3.19Å; A494-D498 PolarHBondContact O-N 3.3Å |
| 495 | E | 87.3 | Confident | 78.7 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.8 | -31.6 | 178.2 | -66 | -169.9 | 178.9 | 0 | 0 | 113.3 | N493 L499 F540 | N493-E495 VanDerWaalsContact C-N 3.26Å; N493-E495 PolarHBondContact O-N 3.18Å; E495-L499 PolarHBondContact O-N 2.95Å; E495-L499 VanDerWaalsContact O-N 3.09Å; E495-F540 HydrophobicContact CB-CD2 3.95Å; E495-F540 HydrophobicContact CB-CE2 3.38Å; E495-F540 HydrophobicContact CB-CZ 4.02Å; E495-F540 HydrophobicContact CG-CE2 4.39Å; E495-F540 WeakPolarHBondContact OE2-CE2 3.31Å |
| 496 | C | 90.2 | Very high | 77.7 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.4 | -41 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 111 | N493 A494 D498 L499 I500 F540 R554 | N493-C496 WeakPolarHBondContact O-CB 3.48Å; N493-C496 PolarHBondContact O-N 3.44Å; N493-C496 VanDerWaalsContact O-N 3.12Å; A494-C496 VanDerWaalsContact C-N 3.33Å; A494-C496 PolarHBondContact O-N 3.25Å; C496-D498 VanDerWaalsContact C-N 3.31Å; C496-L499 WeakPolarHBondContact O-CB 3.33Å; C496-L499 PolarHBondContact O-N 3.19Å; C496-I500 WeakPolarHBondContact O-CG1 3.42Å; C496-I500 PolarHBondContact O-N 3.01Å; C496-F540 HydrophobicContact CB-CD1 3.78Å; C496-F540 HydrophobicContact CB-CE1 4.13Å; C496-F540 HydrophobicContact CB-CG 4.15Å; C496-R554 PolarHBondContact SG-O 2.82Å |
| 497 | L | 87.6 | Confident | 77.1 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 175.6 | -73.5 | 167.9 | 0 | 0 | 0 | 112 | Y457 E460 K461 E464 N493 A494 L499 I500 E501 | Y457-L497 HydrophobicContact CD2-CD2 4.12Å; Y457-L497 HydrophobicContact CE2-CD2 4.03Å; E460-L497 HydrophobicContact CB-CD2 3.82Å; E460-L497 HydrophobicContact CB-CG 4.47Å; E460-L497 HydrophobicContact CG-CD2 3.65Å; E460-L497 HydrophobicContact CG-CG 3.81Å; K461-L497 HydrophobicContact CB-CD2 4.45Å; K461-L497 HydrophobicContact CD-CD1 3.79Å; K461-L497 HydrophobicContact CD-CD2 3.66Å; K461-L497 HydrophobicContact CD-CG 4.31Å; K461-L497 HydrophobicContact CG-CD2 3.66Å; E464-L497 HydrophobicContact CB-CD1 3.33Å; E464-L497 HydrophobicContact CG-CD1 3.72Å; E464-L497 WeakPolarHBondContact OE2-CD1 3.29Å; N493-L497 PolarHBondContact O-N 2.97Å; A494-L497 PolarHBondContact O-N 3.07Å; L497-L499 VanDerWaalsContact C-N 3.32Å; L497-L499 PolarHBondContact O-N 3.35Å; L497-I500 PolarHBondContact O-N 3.49Å; L497-E501 WeakPolarHBondContact O-CB 3.17Å; L497-E501 PolarHBondContact O-N 2.8Å |
| 498 | D | 87.6 | Confident | 77.1 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 173.2 | -169.4 | 68.4 | 0 | 0 | 0 | 111.3 | A494 C496 I500 K502 | A494-D498 VanDerWaalsContact O-CB 3.27Å; A494-D498 WeakPolarHBondContact O-CB 3.19Å; A494-D498 PolarHBondContact O-N 3.3Å; C496-D498 VanDerWaalsContact C-N 3.31Å; D498-I500 VanDerWaalsContact C-N 3.26Å; D498-I500 PolarHBondContact O-N 3.38Å; D498-K502 VanDerWaalsContact CG-CE 3.47Å; D498-K502 WeakPolarHBondContact O-CA 3.49Å; D498-K502 WeakPolarHBondContact O-CB 3.32Å; D498-K502 PolarHBondContact O-N 3.03Å; D498-K502 WeakPolarHBondContact OD1-CB 3.42Å; D498-K502 WeakPolarHBondContact OD1-CD 3.5Å; D498-K502 WeakPolarHBondContact OD1-CE 3.25Å; D498-K502 WeakPolarHBondContact OD1-CG 3.47Å; D498-K502 IonicContact OD1-NZ 2.8Å; D498-K502 PolarHBondContact OD1-NZ 3.35Å; D498-K502 VanDerWaalsContact OD2-CD 3.23Å; D498-K502 WeakPolarHBondContact OD2-CD 3.05Å; D498-K502 VanDerWaalsContact OD2-CE 3.31Å; D498-K502 WeakPolarHBondContact OD2-CE 3.19Å; D498-K502 IonicContact OD2-NZ 3.41Å; D498-K502 PolarHBondContact OD2-NZ 3.04Å |
| 499 | L | 88.5 | Confident | 77.3 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -39.9 | 171.1 | 171.2 | 64.7 | 0 | 0 | 0 | 112.4 | E495 C496 L497 G508 L509 H535 N538 F540 Y541 V553 | E495-L499 PolarHBondContact O-N 2.95Å; E495-L499 VanDerWaalsContact O-N 3.09Å; C496-L499 WeakPolarHBondContact O-CB 3.33Å; C496-L499 PolarHBondContact O-N 3.19Å; L497-L499 VanDerWaalsContact C-N 3.32Å; L497-L499 PolarHBondContact O-N 3.35Å; L499-G508 VanDerWaalsContact O-CA 3.32Å; L499-G508 WeakPolarHBondContact O-CA 3.25Å; L499-L509 HydrophobicContact CD1-CD2 4.38Å; L499-L509 HydrophobicContact CD1-CG 4.2Å; L499-L509 HydrophobicContact CD2-CD1 4.38Å; L499-L509 HydrophobicContact CG-CD1 4.05Å; L499-L509 HydrophobicContact CG-CG 4.14Å; L499-L509 PolarHBondContact O-N 3.35Å; L499-H535 HydrophobicContact CD1-CB 4.05Å; L499-H535 VanDerWaalsContact CD1-ND1 3.32Å; L499-H535 WeakPolarHBondContact CD1-ND1 3.47Å; L499-N538 HydrophobicContact CD1-CB 4.48Å; L499-F540 HydrophobicContact CD2-CB 3.83Å; L499-Y541 HydrophobicContact CD2-CD2 4.49Å; L499-V553 HydrophobicContact CD2-CG1 4.46Å |
| 500 | I | 86.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -79.4 | -46.2 | -174.9 | -62 | 165.6 | 0 | 0 | 0 | 111.7 | F453 Y457 C496 L497 D498 L509 L510 | F453-I500 HydrophobicContact CZ-CG2 4.09Å; Y457-I500 HydrophobicContact CD2-CB 4.26Å; Y457-I500 HydrophobicContact CD2-CD1 4.08Å; Y457-I500 HydrophobicContact CD2-CG2 3.51Å; Y457-I500 HydrophobicContact CE2-CB 4.49Å; Y457-I500 HydrophobicContact CE2-CG2 3.8Å; Y457-I500 HydrophobicContact CG-CG2 4.04Å; C496-I500 WeakPolarHBondContact O-CG1 3.42Å; C496-I500 PolarHBondContact O-N 3.01Å; L497-I500 PolarHBondContact O-N 3.49Å; D498-I500 VanDerWaalsContact C-N 3.26Å; D498-I500 PolarHBondContact O-N 3.38Å; I500-L509 HydrophobicContact CG1-CD1 4.17Å; I500-L509 PolarHBondContact O-N 3.3Å; I500-L510 HydrophobicContact CG2-CD1 3.62Å; I500-L510 HydrophobicContact CG2-CG 3.75Å; I500-L510 WeakPolarHBondContact O-CB 3.28Å; I500-L510 WeakPolarHBondContact O-CG 3.12Å; I500-L510 PolarHBondContact O-N 2.9Å; I500-L510 VanDerWaalsContact O-N 3.08Å |
| 501 | E | 81.4 | Confident | 77.3 | Confident | 34 Ų | 34 | 55 Ų | 55 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -98.8 | -29.8 | -170.6 | -67.3 | -173.5 | 141.8 | 0 | 0 | 115.5 | Y457 K461 L497 V503 H649 | Y457-E501 HydrophobicContact CE2-CG 3.75Å; Y457-E501 WeakPolarHBondContact OH-CG 3.33Å; Y457-E501 PolarHBondContact OH-OE1 3.23Å; K461-E501 WeakPolarHBondContact CE-OE1 3.49Å; K461-E501 WeakPolarHBondContact CE-OE2 3.42Å; K461-E501 VanDerWaalsContact NZ-CD 3.25Å; K461-E501 IonicContact NZ-OE1 2.81Å; K461-E501 PolarHBondContact NZ-OE1 3.44Å; K461-E501 IonicContact NZ-OE2 2.87Å; K461-E501 PolarHBondContact NZ-OE2 2.99Å; L497-E501 WeakPolarHBondContact O-CB 3.17Å; L497-E501 PolarHBondContact O-N 2.8Å; E501-V503 WeakPolarHBondContact O-CG2 3.37Å; E501-V503 PolarHBondContact O-N 2.96Å; E501-H649 IonicContact OE1-NE2 3.53Å |
| 502 | K | 73.6 | Confident | 77.6 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | trans | -56.8 | 135.5 | -157 | -167.7 | -172.9 | -138.8 | 149 | 0 | 113 | D498 S504 G508 | D498-K502 VanDerWaalsContact CG-CE 3.47Å; D498-K502 WeakPolarHBondContact O-CA 3.49Å; D498-K502 WeakPolarHBondContact O-CB 3.32Å; D498-K502 PolarHBondContact O-N 3.03Å; D498-K502 WeakPolarHBondContact OD1-CB 3.42Å; D498-K502 WeakPolarHBondContact OD1-CD 3.5Å; D498-K502 WeakPolarHBondContact OD1-CE 3.25Å; D498-K502 WeakPolarHBondContact OD1-CG 3.47Å; D498-K502 IonicContact OD1-NZ 2.8Å; D498-K502 PolarHBondContact OD1-NZ 3.35Å; D498-K502 VanDerWaalsContact OD2-CD 3.23Å; D498-K502 WeakPolarHBondContact OD2-CD 3.05Å; D498-K502 VanDerWaalsContact OD2-CE 3.31Å; D498-K502 WeakPolarHBondContact OD2-CE 3.19Å; D498-K502 IonicContact OD2-NZ 3.41Å; D498-K502 PolarHBondContact OD2-NZ 3.04Å; K502-S504 WeakPolarHBondContact CE-OG 3.47Å; K502-G508 PolarHBondContact O-N 3.39Å | ||
| 503 | V | 53.3 | Low | 77.7 | Confident | 130 Ų | 130 | 45.5 Ų | 45.5 | 79% | 0.788 | 25% | 0.246 | S | C | * | . | trans | -107.1 | -6.2 | -178 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | E501 | E501-V503 WeakPolarHBondContact O-CG2 3.37Å; E501-V503 PolarHBondContact O-N 2.96Å | ||
| 504 | S | 39.9 | Very low | 77.3 | Confident | 72 Ų | 72 | 46 Ų | 46 | 50% | 0.503 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -105.4 | 127.8 | -176.5 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | K502 K506 | K502-S504 WeakPolarHBondContact CE-OG 3.47Å; S504-K506 PolarHBondContact O-N 3.39Å |
| 505 | N | 47.8 | Very low | 77.1 | Confident | 178 Ų | 178 | 47.9 Ų | 47.9 | 95% | 0.952 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 56.9 | -27.8 | -179.6 | -67.1 | -5 | 0 | 0 | 0 | 118.6 | ||
| 506 | K | 58.6 | Low | 76.9 | Confident | 131 Ų | 131 | 42.5 Ų | 42.5 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -135.3 | 128.2 | 169.2 | -65.7 | -179.4 | -176.3 | 177.5 | 0 | 108.4 | S504 G508 | S504-K506 PolarHBondContact O-N 3.39Å; K506-G508 PolarHBondContact O-N 2.81Å |
| 507 | L | 70.4 | Confident | 76.4 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | trans | -59.2 | 127.5 | 175.9 | -63 | 164.3 | 0 | 0 | 0 | 109.7 | A511 L512 E515 H535 | L507-A511 HydrophobicContact CB-CB 4.1Å; L507-A511 HydrophobicContact CD2-CB 3.99Å; L507-L512 HydrophobicContact CB-CD2 3.76Å; L507-L512 HydrophobicContact CB-CG 3.81Å; L507-L512 HydrophobicContact CD1-CD2 3.72Å; L507-L512 HydrophobicContact CG-CD2 4.41Å; L507-E515 WeakPolarHBondContact CD1-OE2 3.28Å; L507-H535 PolarHBondContact O-CE1 3.1Å; L507-H535 PolarHBondContact O-NE2 3.34Å | ||
| 508 | G | 81.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -71 | 172.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L499 K502 K506 L510 A511 L512 | L499-G508 VanDerWaalsContact O-CA 3.32Å; L499-G508 WeakPolarHBondContact O-CA 3.25Å; K502-G508 PolarHBondContact O-N 3.39Å; K506-G508 PolarHBondContact O-N 2.81Å; G508-L510 VanDerWaalsContact C-N 3.33Å; G508-L510 PolarHBondContact O-N 3.37Å; G508-A511 PolarHBondContact O-N 3.04Å; G508-A511 VanDerWaalsContact O-N 3.1Å; G508-L512 PolarHBondContact O-N 2.84Å | ||
| 509 | L | 86.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.5 | -47.7 | -177.2 | -63.4 | 177.6 | 0 | 0 | 0 | 111.9 | F453 L499 I500 A511 L512 M513 L531 Y541 F551 V553 | F453-L509 HydrophobicContact CE2-CD1 4.04Å; F453-L509 HydrophobicContact CZ-CB 4.28Å; F453-L509 HydrophobicContact CZ-CD1 4.16Å; L499-L509 HydrophobicContact CD1-CD2 4.38Å; L499-L509 HydrophobicContact CD1-CG 4.2Å; L499-L509 HydrophobicContact CD2-CD1 4.38Å; L499-L509 HydrophobicContact CG-CD1 4.05Å; L499-L509 HydrophobicContact CG-CG 4.14Å; L499-L509 PolarHBondContact O-N 3.35Å; I500-L509 HydrophobicContact CG1-CD1 4.17Å; I500-L509 PolarHBondContact O-N 3.3Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 2.94Å; L509-L512 PolarHBondContact O-N 3.32Å; L509-M513 VanDerWaalsContact O-CG 3.25Å; L509-M513 WeakPolarHBondContact O-CG 3.33Å; L509-M513 PolarHBondContact O-N 3.35Å; L509-L531 HydrophobicContact CD2-CD2 3.66Å; L509-Y541 HydrophobicContact CD2-CD2 4.18Å; L509-Y541 HydrophobicContact CD2-CE2 4.02Å; L509-F551 HydrophobicContact CD1-CE2 4.49Å; L509-V553 HydrophobicContact CD1-CG2 3.91Å |
| 510 | L | 84.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 179.6 | -66.9 | 175.9 | 0 | 0 | 0 | 112 | F453 Y457 I500 G508 M513 N514 T641 Q645 | F453-L510 HydrophobicContact CE1-CD2 3.68Å; F453-L510 HydrophobicContact CE1-CG 4.48Å; F453-L510 HydrophobicContact CZ-CD2 4.39Å; Y457-L510 HydrophobicContact CD1-CD1 4.43Å; Y457-L510 HydrophobicContact CE1-CD1 3.98Å; Y457-L510 HydrophobicContact CE2-CD1 4.47Å; I500-L510 HydrophobicContact CG2-CD1 3.62Å; I500-L510 HydrophobicContact CG2-CG 3.75Å; I500-L510 WeakPolarHBondContact O-CB 3.28Å; I500-L510 WeakPolarHBondContact O-CG 3.12Å; I500-L510 PolarHBondContact O-N 2.9Å; I500-L510 VanDerWaalsContact O-N 3.08Å; G508-L510 VanDerWaalsContact C-N 3.33Å; G508-L510 PolarHBondContact O-N 3.37Å; L510-M513 PolarHBondContact O-N 3.08Å; L510-N514 WeakPolarHBondContact O-CB 3.43Å; L510-N514 PolarHBondContact O-N 3.02Å; L510-N514 PolarHBondContact O-ND2 3.34Å; L510-N514 PolarHBondContact O-OD1 2.86Å; L510-N514 VanDerWaalsContact O-OD1 3.09Å; L510-T641 HydrophobicContact CD2-CG2 3.41Å; L510-T641 VanDerWaalsContact CD2-CG2 3.41Å; L510-Q645 HydrophobicContact CD1-CG 3.91Å |
| 511 | A | 82.9 | Confident | 73.9 | Confident | 25 Ų | 25 | 64 Ų | 64 | 21% | 0.207 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L507 G508 L509 N514 E515 | L507-A511 HydrophobicContact CB-CB 4.1Å; L507-A511 HydrophobicContact CD2-CB 3.99Å; G508-A511 PolarHBondContact O-N 3.04Å; G508-A511 VanDerWaalsContact O-N 3.1Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 2.94Å; A511-N514 PolarHBondContact O-N 3.48Å; A511-E515 WeakPolarHBondContact O-CB 3.3Å; A511-E515 PolarHBondContact O-N 3.42Å |
| 512 | L | 85.4 | Confident | 73.9 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 175.4 | -72 | 173.8 | 0 | 0 | 0 | 112 | L507 G508 L509 N514 E515 E516 L531 Q534 H535 | L507-L512 HydrophobicContact CB-CD2 3.76Å; L507-L512 HydrophobicContact CB-CG 3.81Å; L507-L512 HydrophobicContact CD1-CD2 3.72Å; L507-L512 HydrophobicContact CG-CD2 4.41Å; G508-L512 PolarHBondContact O-N 2.84Å; L509-L512 PolarHBondContact O-N 3.32Å; L512-N514 VanDerWaalsContact C-N 3.28Å; L512-N514 PolarHBondContact O-N 3.17Å; L512-E515 PolarHBondContact O-N 3.44Å; L512-E516 PolarHBondContact O-N 2.76Å; L512-L531 HydrophobicContact CB-CD2 3.97Å; L512-L531 HydrophobicContact CD1-CD2 3.68Å; L512-L531 HydrophobicContact CG-CD2 4.49Å; L512-Q534 HydrophobicContact CD1-CB 4.15Å; L512-Q534 HydrophobicContact CD1-CG 4.26Å; L512-H535 VanDerWaalsContact CD1-NE2 3.33Å; L512-H535 WeakPolarHBondContact CD1-NE2 3.4Å |
| 513 | M | 84.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 174.4 | -69.9 | 178.1 | 76.1 | 0 | 0 | 111.4 | F450 F453 L509 L510 S517 L527 M567 | F450-M513 HydrophobicContact CD2-CE 3.64Å; F450-M513 HydrophobicContact CE2-CE 3.47Å; F450-M513 VanDerWaalsContact CE2-CE 3.47Å; F453-M513 HydrophobicContact CE1-SD 4.33Å; L509-M513 VanDerWaalsContact O-CG 3.25Å; L509-M513 WeakPolarHBondContact O-CG 3.33Å; L509-M513 PolarHBondContact O-N 3.35Å; L510-M513 PolarHBondContact O-N 3.08Å; M513-S517 VanDerWaalsContact O-CB 3.23Å; M513-S517 WeakPolarHBondContact O-CB 3.31Å; M513-S517 PolarHBondContact O-N 3.36Å; M513-S517 PolarHBondContact O-OG 2.9Å; M513-L527 HydrophobicContact CG-CD1 4Å; M513-L527 HydrophobicContact CG-CD2 4.06Å; M513-M567 HydrophobicContact CE-CB 4.03Å; M513-M567 HydrophobicContact CE-CG 4.34Å; M513-M567 HydrophobicContact CE-SD 3.91Å |
| 514 | N | 79.4 | Confident | 76.1 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.8 | -41 | -179.7 | -67.1 | 0 | 0 | 0 | 0 | 112 | L510 A511 L512 S517 H518 N571 I639 T641 T642 | L510-N514 WeakPolarHBondContact O-CB 3.43Å; L510-N514 PolarHBondContact O-N 3.02Å; L510-N514 PolarHBondContact O-ND2 3.34Å; L510-N514 PolarHBondContact O-OD1 2.86Å; L510-N514 VanDerWaalsContact O-OD1 3.09Å; A511-N514 PolarHBondContact O-N 3.48Å; L512-N514 VanDerWaalsContact C-N 3.28Å; L512-N514 PolarHBondContact O-N 3.17Å; N514-S517 PolarHBondContact O-N 2.95Å; N514-H518 PolarHBondContact O-CD2 3.25Å; N514-H518 PolarHBondContact O-N 2.87Å; N514-N571 PolarHBondContact OD1-ND2 3.4Å; N514-N571 VanDerWaalsContact OD1-ND2 3.07Å; N514-I639 HydrophobicContact CB-CD1 3.88Å; N514-I639 WeakPolarHBondContact OD1-CG2 3.4Å; N514-T641 PolarHBondContact ND2-OG1 3.43Å; N514-T641 PolarHBondContact OD1-OG1 3.47Å; N514-T642 PolarHBondContact ND2-OG1 2.83Å |
| 515 | E | 82.3 | Confident | 78.5 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 175.3 | -178.3 | 176.4 | -172.8 | 0 | 0 | 111.4 | L507 A511 L512 S517 H518 F519 | L507-E515 WeakPolarHBondContact CD1-OE2 3.28Å; A511-E515 WeakPolarHBondContact O-CB 3.3Å; A511-E515 PolarHBondContact O-N 3.42Å; L512-E515 PolarHBondContact O-N 3.44Å; E515-S517 VanDerWaalsContact C-N 3.26Å; E515-S517 PolarHBondContact O-N 2.8Å; E515-H518 WeakPolarHBondContact O-CB 3.33Å; E515-H518 PolarHBondContact O-N 3.03Å; E515-F519 HydrophobicContact CG-CD2 4.26Å; E515-F519 HydrophobicContact CG-CE2 3.68Å; E515-F519 WeakPolarHBondContact O-CD2 3.48Å |
| 516 | E | 84.1 | Confident | 80.5 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -32.1 | 176.6 | -73.2 | -61.7 | 101.1 | 0 | 0 | 112.4 | L512 H518 F519 A522 T526 L527 K530 L568 R572 | L512-E516 PolarHBondContact O-N 2.76Å; E516-H518 PolarHBondContact O-N 2.77Å; E516-F519 PolarHBondContact O-N 2.94Å; E516-F519 VanDerWaalsContact O-N 3.15Å; E516-A522 HydrophobicContact CB-CB 4.21Å; E516-A522 VanDerWaalsContact O-CB 3.26Å; E516-A522 WeakPolarHBondContact O-CB 3.44Å; E516-A522 WeakPolarHBondContact OE2-CB 3.46Å; E516-T526 PolarHBondContact OE2-OG1 2.96Å; E516-L527 HydrophobicContact CB-CB 4.48Å; E516-L527 HydrophobicContact CB-CD1 4.19Å; E516-L527 HydrophobicContact CG-CB 4.24Å; E516-L527 HydrophobicContact CG-CD1 3.93Å; E516-K530 HydrophobicContact CG-CD 4.08Å; E516-K530 WeakPolarHBondContact OE1-CD 3.49Å; E516-K530 VanDerWaalsContact OE1-CE 3.26Å; E516-K530 WeakPolarHBondContact OE1-CE 3.12Å; E516-K530 IonicContact OE1-NZ 3.38Å; E516-K530 PolarHBondContact OE1-NZ 3.37Å; E516-L568 HydrophobicContact CB-CD1 4.28Å; E516-L568 HydrophobicContact CB-CD2 3.62Å; E516-R572 PolarHBondContact O-NH2 3.13Å |
| 517 | S | 79.5 | Confident | 81.9 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -27.9 | 175.4 | -63 | 0 | 0 | 0 | 0 | 112 | M513 N514 E515 N571 R572 | M513-S517 VanDerWaalsContact O-CB 3.23Å; M513-S517 WeakPolarHBondContact O-CB 3.31Å; M513-S517 PolarHBondContact O-N 3.36Å; M513-S517 PolarHBondContact O-OG 2.9Å; N514-S517 PolarHBondContact O-N 2.95Å; E515-S517 VanDerWaalsContact C-N 3.26Å; E515-S517 PolarHBondContact O-N 2.8Å; S517-N571 PolarHBondContact OG-ND2 3.22Å; S517-R572 PolarHBondContact O-NE 3.4Å |
| 518 | H | 73.9 | Confident | 82.9 | Confident | 83 Ų | 83 | 43 Ų | 43 | 38% | 0.384 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -78.1 | -21.6 | 175.2 | -73.4 | -47.7 | 0 | 0 | 0 | 114.3 | N514 E515 E516 P520 S634 | N514-H518 PolarHBondContact O-CD2 3.25Å; N514-H518 PolarHBondContact O-N 2.87Å; E515-H518 WeakPolarHBondContact O-CB 3.33Å; E515-H518 PolarHBondContact O-N 3.03Å; E516-H518 PolarHBondContact O-N 2.77Å; H518-P520 WeakPolarHBondContact O-CD 3.5Å; H518-S634 PolarHBondContact CE1-O 3.47Å; H518-S634 VanDerWaalsContact CE1-O 3.22Å |
| 519 | F | 76.3 | Confident | 83.3 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 45% | 0.452 | 26% | 0.258 | S | S | . | . | trans | -85.7 | 115.4 | -178.6 | -75.8 | -70.3 | 0 | 0 | 0 | 111.2 | E515 E516 K521 A522 R572 | E515-F519 HydrophobicContact CG-CD2 4.26Å; E515-F519 HydrophobicContact CG-CE2 3.68Å; E515-F519 WeakPolarHBondContact O-CD2 3.48Å; E516-F519 PolarHBondContact O-N 2.94Å; E516-F519 VanDerWaalsContact O-N 3.15Å; F519-K521 PolarHBondContact O-N 3.13Å; F519-K521 VanDerWaalsContact O-N 3.1Å; F519-A522 HydrophobicContact CB-CB 3.88Å; F519-A522 WeakPolarHBondContact O-CB 3.32Å; F519-A522 PolarHBondContact O-N 3.34Å; F519-R572 PolarHBondContact O-NH2 3.36Å | ||
| 520 | P | 70.3 | Confident | 83.4 | Confident | 122 Ų | 122 | 53.1 Ų | 53.1 | 79% | 0.792 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.6 | -173.8 | -24.1 | 34.4 | 0 | 0 | 0 | 114.9 | H518 | H518-P520 WeakPolarHBondContact O-CD 3.5Š|
| 521 | K | 76.9 | Confident | 83.7 | Confident | 198 Ų | 198 | 53.2 Ų | 53.2 | 86% | 0.861 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -0.8 | 179.2 | -65.9 | -173.2 | 177.5 | -175.9 | 0 | 113.8 | F519 | F519-K521 PolarHBondContact O-N 3.13Å; F519-K521 VanDerWaalsContact O-N 3.1Å |
| 522 | A | 80.9 | Confident | 84 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | trans | -71.4 | 139.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E516 F519 L568 | E516-A522 HydrophobicContact CB-CB 4.21Å; E516-A522 VanDerWaalsContact O-CB 3.26Å; E516-A522 WeakPolarHBondContact O-CB 3.44Å; E516-A522 WeakPolarHBondContact OE2-CB 3.46Å; F519-A522 HydrophobicContact CB-CB 3.88Å; F519-A522 WeakPolarHBondContact O-CB 3.32Å; F519-A522 PolarHBondContact O-N 3.34Å; A522-L568 HydrophobicContact CB-CD1 4.12Å | ||
| 523 | T | 86.6 | Confident | 84.2 | Confident | 71 Ų | 71 | 56.9 Ų | 56.9 | 44% | 0.436 | 30% | 0.296 | S | S | . | . | trans | -119 | 164.3 | 176.6 | 65.2 | 0 | 0 | 0 | 0 | 110 | D525 T526 L527 L568 | T523-D525 PolarHBondContact O-N 3.47Å; T523-T526 PolarHBondContact N-OG1 2.91Å; T523-T526 PolarHBondContact O-N 3.31Å; T523-T526 VanDerWaalsContact O-N 3.08Å; T523-T526 PolarHBondContact O-OG1 2.87Å; T523-T526 PolarHBondContact OG1-N 3.16Å; T523-L527 PolarHBondContact O-N 2.61Å; T523-L568 VanDerWaalsContact C-CD1 3.41Å; T523-L568 VanDerWaalsContact O-CD1 3.31Å; T523-L568 WeakPolarHBondContact O-CD1 3.01Å | ||
| 524 | D | 87.4 | Confident | 84.3 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -31.2 | 178.7 | -66.8 | -40.8 | 0 | 0 | 0 | 112.1 | L527 L528 V564 G566 M567 L568 | D524-L527 WeakPolarHBondContact O-CB 3.35Å; D524-L527 PolarHBondContact O-N 2.81Å; D524-L528 PolarHBondContact O-N 2.76Å; D524-V564 HydrophobicContact CB-CG1 3.98Å; D524-V564 VanDerWaalsContact CG-O 3.29Å; D524-V564 WeakPolarHBondContact O-CG1 3.37Å; D524-G566 PolarHBondContact OD2-N 3.42Å; D524-M567 PolarHBondContact OD1-N 3.28Å; D524-L568 WeakPolarHBondContact OD1-CB 3.4Å; D524-L568 PolarHBondContact OD1-N 3.02Å |
| 525 | D | 88.8 | Confident | 84.7 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 175 | -61.5 | -44.5 | 0 | 0 | 0 | 112 | T523 L527 L528 E529 H549 | T523-D525 PolarHBondContact O-N 3.47Å; D525-L527 VanDerWaalsContact C-N 3.3Å; D525-L527 PolarHBondContact O-N 3.44Å; D525-L528 PolarHBondContact O-N 2.97Å; D525-E529 WeakPolarHBondContact O-CG 3.3Å; D525-E529 PolarHBondContact O-N 2.9Å; D525-H549 IonicContact OD1-CE1 3.39Å; D525-H549 PolarHBondContact OD1-CE1 2.89Å; D525-H549 IonicContact OD1-ND1 2.95Å; D525-H549 PolarHBondContact OD1-ND1 3.36Å |
| 526 | T | 89.9 | Confident | 84.9 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.6 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | E516 T523 K530 | E516-T526 PolarHBondContact OE2-OG1 2.96Å; T523-T526 PolarHBondContact N-OG1 2.91Å; T523-T526 PolarHBondContact O-N 3.31Å; T523-T526 VanDerWaalsContact O-N 3.08Å; T523-T526 PolarHBondContact O-OG1 2.87Å; T523-T526 PolarHBondContact OG1-N 3.16Å; T526-K530 WeakPolarHBondContact O-CG 3.42Å; T526-K530 PolarHBondContact O-N 2.88Å; T526-K530 VanDerWaalsContact O-N 3.13Å |
| 527 | L | 88.9 | Confident | 85 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -51.1 | 171.2 | 170.8 | 65.3 | 0 | 0 | 0 | 110.5 | M513 E516 T523 D524 D525 E529 K530 L531 V564 M567 L568 | M513-L527 HydrophobicContact CG-CD1 4Å; M513-L527 HydrophobicContact CG-CD2 4.06Å; E516-L527 HydrophobicContact CB-CB 4.48Å; E516-L527 HydrophobicContact CB-CD1 4.19Å; E516-L527 HydrophobicContact CG-CB 4.24Å; E516-L527 HydrophobicContact CG-CD1 3.93Å; T523-L527 PolarHBondContact O-N 2.61Å; D524-L527 WeakPolarHBondContact O-CB 3.35Å; D524-L527 PolarHBondContact O-N 2.81Å; D525-L527 VanDerWaalsContact C-N 3.3Å; D525-L527 PolarHBondContact O-N 3.44Å; L527-E529 PolarHBondContact O-N 2.92Å; L527-K530 WeakPolarHBondContact O-CB 3.45Å; L527-K530 PolarHBondContact O-N 2.75Å; L527-K530 VanDerWaalsContact O-N 3.14Å; L527-L531 HydrophobicContact CD1-CD1 4.37Å; L527-L531 HydrophobicContact CD1-CD2 4.26Å; L527-L531 HydrophobicContact CD1-CG 4.1Å; L527-L531 HydrophobicContact CG-CD1 4.21Å; L527-L531 HydrophobicContact CG-CG 4.31Å; L527-L531 WeakPolarHBondContact O-CG 3.41Å; L527-L531 PolarHBondContact O-N 2.88Å; L527-V564 HydrophobicContact CD2-CG1 3.77Å; L527-V564 HydrophobicContact CG-CG1 4.28Å; L527-M567 HydrophobicContact CD2-CB 4.41Å; L527-L568 HydrophobicContact CB-CD1 4.2Å; L527-L568 HydrophobicContact CB-CD2 4.31Å; L527-L568 HydrophobicContact CB-CG 4.3Å; L527-L568 HydrophobicContact CD2-CD2 3.74Å; L527-L568 HydrophobicContact CD2-CG 3.95Å; L527-L568 HydrophobicContact CG-CD2 4.4Å |
| 528 | L | 90.8 | Very high | 85.4 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | -177 | -176.2 | 52.3 | 0 | 0 | 0 | 112.8 | D524 D525 K530 L531 H532 V548 F551 V564 | D524-L528 PolarHBondContact O-N 2.76Å; D525-L528 PolarHBondContact O-N 2.97Å; L528-K530 VanDerWaalsContact C-N 3.31Å; L528-K530 PolarHBondContact O-N 2.92Å; L528-L531 PolarHBondContact O-N 3.32Å; L528-H532 WeakPolarHBondContact CD1-CE1 3.3Å; L528-H532 VanDerWaalsContact CD1-NE2 3.34Å; L528-H532 WeakPolarHBondContact CD1-NE2 3.48Å; L528-H532 WeakPolarHBondContact O-CB 3.36Å; L528-H532 PolarHBondContact O-CD2 3.15Å; L528-H532 PolarHBondContact O-N 3.18Å; L528-V548 WeakPolarHBondContact CD2-O 3.1Å; L528-F551 HydrophobicContact CD1-CB 3.93Å; L528-F551 HydrophobicContact CD1-CD1 4.42Å; L528-V564 HydrophobicContact CB-CG1 4.46Å; L528-V564 HydrophobicContact CB-CG2 4.14Å; L528-V564 HydrophobicContact CD1-CG2 3.83Å; L528-V564 HydrophobicContact CD2-CG2 4Å; L528-V564 HydrophobicContact CG-CG2 4.2Å |
| 529 | E | 89.6 | Confident | 86.1 | Confident | 140 Ų | 140 | 70.1 Ų | 70.1 | 65% | 0.654 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.9 | -44.6 | 173.3 | -73.6 | -177.2 | 173.4 | 0 | 0 | 111.5 | D525 L527 H532 S533 | D525-E529 WeakPolarHBondContact O-CG 3.3Å; D525-E529 PolarHBondContact O-N 2.9Å; L527-E529 PolarHBondContact O-N 2.92Å; E529-H532 PolarHBondContact O-N 3.49Å; E529-S533 WeakPolarHBondContact O-CB 3.37Å; E529-S533 PolarHBondContact O-N 3.47Å; E529-S533 PolarHBondContact O-OG 3.26Å |
| 530 | K | 89.1 | Confident | 86.7 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.1 | -76.3 | -173 | 177.7 | -169.4 | 0 | 111.8 | E516 T526 L527 L528 H532 S533 Q534 | E516-K530 HydrophobicContact CG-CD 4.08Å; E516-K530 WeakPolarHBondContact OE1-CD 3.49Å; E516-K530 VanDerWaalsContact OE1-CE 3.26Å; E516-K530 WeakPolarHBondContact OE1-CE 3.12Å; E516-K530 IonicContact OE1-NZ 3.38Å; E516-K530 PolarHBondContact OE1-NZ 3.37Å; T526-K530 WeakPolarHBondContact O-CG 3.42Å; T526-K530 PolarHBondContact O-N 2.88Å; T526-K530 VanDerWaalsContact O-N 3.13Å; L527-K530 WeakPolarHBondContact O-CB 3.45Å; L527-K530 PolarHBondContact O-N 2.75Å; L527-K530 VanDerWaalsContact O-N 3.14Å; L528-K530 VanDerWaalsContact C-N 3.31Å; L528-K530 PolarHBondContact O-N 2.92Å; K530-H532 PolarHBondContact O-N 3.45Å; K530-S533 PolarHBondContact O-N 2.84Å; K530-S533 PolarHBondContact O-OG 3.46Å; K530-Q534 WeakPolarHBondContact O-CB 3.32Å; K530-Q534 PolarHBondContact O-N 3.22Å |
| 531 | L | 89.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 177.2 | -66.5 | -177.5 | 0 | 0 | 0 | 111.2 | L509 L512 L527 L528 H535 Y541 F551 | L509-L531 HydrophobicContact CD2-CD2 3.66Å; L512-L531 HydrophobicContact CB-CD2 3.97Å; L512-L531 HydrophobicContact CD1-CD2 3.68Å; L512-L531 HydrophobicContact CG-CD2 4.49Å; L527-L531 HydrophobicContact CD1-CD1 4.37Å; L527-L531 HydrophobicContact CD1-CD2 4.26Å; L527-L531 HydrophobicContact CD1-CG 4.1Å; L527-L531 HydrophobicContact CG-CD1 4.21Å; L527-L531 HydrophobicContact CG-CG 4.31Å; L527-L531 WeakPolarHBondContact O-CG 3.41Å; L527-L531 PolarHBondContact O-N 2.88Å; L528-L531 PolarHBondContact O-N 3.32Å; L531-H535 WeakPolarHBondContact O-CB 3.28Å; L531-H535 PolarHBondContact O-CD2 3.21Å; L531-H535 PolarHBondContact O-N 3.43Å; L531-Y541 HydrophobicContact CB-CE2 4.46Å; L531-Y541 WeakPolarHBondContact CB-OH 3.5Å; L531-F551 HydrophobicContact CD1-CD1 4.27Å; L531-F551 HydrophobicContact CD1-CE1 4.36Å; L531-F551 HydrophobicContact CD1-CG 4.42Å |
| 532 | H | 90.5 | Very high | 88.4 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.6 | -71.5 | -25.3 | 0 | 0 | 0 | 112.7 | L528 E529 K530 Q534 S536 Y541 K543 | L528-H532 WeakPolarHBondContact CD1-CE1 3.3Å; L528-H532 VanDerWaalsContact CD1-NE2 3.34Å; L528-H532 WeakPolarHBondContact CD1-NE2 3.48Å; L528-H532 WeakPolarHBondContact O-CB 3.36Å; L528-H532 PolarHBondContact O-CD2 3.15Å; L528-H532 PolarHBondContact O-N 3.18Å; E529-H532 PolarHBondContact O-N 3.49Å; K530-H532 PolarHBondContact O-N 3.45Å; H532-Q534 VanDerWaalsContact C-N 3.33Å; H532-Q534 PolarHBondContact O-N 2.9Å; H532-S536 WeakPolarHBondContact O-CB 3.41Å; H532-S536 PolarHBondContact O-N 3.35Å; H532-S536 VanDerWaalsContact O-N 3.15Å; H532-S536 PolarHBondContact O-OG 3.46Å; H532-S536 VanDerWaalsContact O-OG 3.05Å; H532-Y541 PolarHBondContact CE1-OH 2.9Å; H532-Y541 VanDerWaalsContact CE1-OH 3.31Å; H532-Y541 AromaticContact ND1-CE1 3.56Å; H532-Y541 AromaticContact ND1-CZ 3.6Å; H532-Y541 PolarHBondContact ND1-OH 3.22Å; H532-K543 HydrophobicContact CB-CD 4.39Å |
| 533 | S | 88.9 | Confident | 88.8 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | -178.9 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | E529 K530 | E529-S533 WeakPolarHBondContact O-CB 3.37Å; E529-S533 PolarHBondContact O-N 3.47Å; E529-S533 PolarHBondContact O-OG 3.26Å; K530-S533 PolarHBondContact O-N 2.84Å; K530-S533 PolarHBondContact O-OG 3.46Å |
| 534 | Q | 87.1 | Confident | 88.8 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -81.4 | -40.2 | -175.7 | -166.2 | 76 | -18.6 | 0 | 0 | 113 | L512 K530 H532 | L512-Q534 HydrophobicContact CD1-CB 4.15Å; L512-Q534 HydrophobicContact CD1-CG 4.26Å; K530-Q534 WeakPolarHBondContact O-CB 3.32Å; K530-Q534 PolarHBondContact O-N 3.22Å; H532-Q534 VanDerWaalsContact C-N 3.33Å; H532-Q534 PolarHBondContact O-N 2.9Å |
| 535 | H | 88.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -111.4 | -1 | -166.7 | -58.3 | -66.6 | 0 | 0 | 0 | 115.6 | L499 L507 L512 L531 K537 N538 Y541 | L499-H535 HydrophobicContact CD1-CB 4.05Å; L499-H535 VanDerWaalsContact CD1-ND1 3.32Å; L499-H535 WeakPolarHBondContact CD1-ND1 3.47Å; L507-H535 PolarHBondContact O-CE1 3.1Å; L507-H535 PolarHBondContact O-NE2 3.34Å; L512-H535 VanDerWaalsContact CD1-NE2 3.33Å; L512-H535 WeakPolarHBondContact CD1-NE2 3.4Å; L531-H535 WeakPolarHBondContact O-CB 3.28Å; L531-H535 PolarHBondContact O-CD2 3.21Å; L531-H535 PolarHBondContact O-N 3.43Å; H535-K537 PolarHBondContact O-N 2.91Å; H535-N538 WeakPolarHBondContact O-CB 3.41Å; H535-N538 PolarHBondContact O-N 3.48Å; H535-Y541 HydrophobicContact CB-CD1 3.94Å; H535-Y541 HydrophobicContact CB-CD2 3.82Å; H535-Y541 HydrophobicContact CB-CE1 4.38Å; H535-Y541 HydrophobicContact CB-CE2 4.26Å; H535-Y541 HydrophobicContact CB-CG 3.62Å; H535-Y541 WeakPolarHBondContact O-CB 3.34Å |
| 536 | S | 85.1 | Confident | 87.7 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.6 | -179.9 | 48.8 | 0 | 0 | 0 | 0 | 115.9 | H532 | H532-S536 WeakPolarHBondContact O-CB 3.41Å; H532-S536 PolarHBondContact O-N 3.35Å; H532-S536 VanDerWaalsContact O-N 3.15Å; H532-S536 PolarHBondContact O-OG 3.46Å; H532-S536 VanDerWaalsContact O-OG 3.05Å |
| 537 | K | 86.4 | Confident | 86.8 | Confident | 198 Ų | 198 | 70 Ų | 70 | 86% | 0.861 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.9 | 178.2 | -61.6 | -176.9 | -178.5 | -179.6 | 0 | 113.9 | H535 | H535-K537 PolarHBondContact O-N 2.91Š|
| 538 | N | 87.6 | Confident | 86.2 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 24% | 0.235 | 39% | 0.387 | C | S | . | . | trans | -80.2 | 130.8 | -177.8 | -174.1 | -46.6 | 0 | 0 | 0 | 109.9 | L499 H535 F540 Y541 | L499-N538 HydrophobicContact CD1-CB 4.48Å; H535-N538 WeakPolarHBondContact O-CB 3.41Å; H535-N538 PolarHBondContact O-N 3.48Å; N538-F540 PolarHBondContact O-N 3.14Å; N538-F540 PolarHBondContact OD1-N 2.75Å; N538-Y541 PolarHBondContact O-N 3.33Å; N538-Y541 VanDerWaalsContact O-N 3.14Å | ||
| 539 | P | 89.3 | Confident | 85.9 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 51% | 0.506 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.3 | -178.6 | 25.2 | -35 | 0 | 0 | 0 | 114.6 | R554 | P539-R554 WeakPolarHBondContact O-CD 3.33Å; P539-R554 PolarHBondContact O-NH1 3.49Å |
| 540 | F | 89.7 | Confident | 85.9 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -10.1 | 178.8 | -67.1 | -84 | 0 | 0 | 0 | 113.5 | E495 C496 L499 N538 V553 R554 | E495-F540 HydrophobicContact CB-CD2 3.95Å; E495-F540 HydrophobicContact CB-CE2 3.38Å; E495-F540 HydrophobicContact CB-CZ 4.02Å; E495-F540 HydrophobicContact CG-CE2 4.39Å; E495-F540 WeakPolarHBondContact OE2-CE2 3.31Å; C496-F540 HydrophobicContact CB-CD1 3.78Å; C496-F540 HydrophobicContact CB-CE1 4.13Å; C496-F540 HydrophobicContact CB-CG 4.15Å; L499-F540 HydrophobicContact CD2-CB 3.83Å; N538-F540 PolarHBondContact O-N 3.14Å; N538-F540 PolarHBondContact OD1-N 2.75Å; F540-V553 WeakPolarHBondContact O-CA 3.33Å; F540-R554 HydrophobicContact CD1-CB 4.21Å; F540-R554 WeakPolarHBondContact CD1-O 3.5Å; F540-R554 PolarHBondContact O-N 2.88Å |
| 541 | Y | 91.9 | Very high | 86.1 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 4% | 0.043 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.6 | 176.8 | -172.8 | -94.4 | 0 | 0 | 0 | 110.2 | L499 L509 L531 H532 H535 N538 F551 | L499-Y541 HydrophobicContact CD2-CD2 4.49Å; L509-Y541 HydrophobicContact CD2-CD2 4.18Å; L509-Y541 HydrophobicContact CD2-CE2 4.02Å; L531-Y541 HydrophobicContact CB-CE2 4.46Å; L531-Y541 WeakPolarHBondContact CB-OH 3.5Å; H532-Y541 PolarHBondContact CE1-OH 2.9Å; H532-Y541 VanDerWaalsContact CE1-OH 3.31Å; H532-Y541 AromaticContact ND1-CE1 3.56Å; H532-Y541 AromaticContact ND1-CZ 3.6Å; H532-Y541 PolarHBondContact ND1-OH 3.22Å; H535-Y541 HydrophobicContact CB-CD1 3.94Å; H535-Y541 HydrophobicContact CB-CD2 3.82Å; H535-Y541 HydrophobicContact CB-CE1 4.38Å; H535-Y541 HydrophobicContact CB-CE2 4.26Å; H535-Y541 HydrophobicContact CB-CG 3.62Å; H535-Y541 WeakPolarHBondContact O-CB 3.34Å; N538-Y541 PolarHBondContact O-N 3.33Å; N538-Y541 VanDerWaalsContact O-N 3.14Å; Y541-F551 HydrophobicContact CE2-CB 4.06Å; Y541-F551 AromaticContact CE2-CD2 3.93Å; Y541-F551 HydrophobicContact CE2-CD2 3.93Å; Y541-F551 HydrophobicContact CE2-CG 4.36Å; Y541-F551 WeakPolarHBondContact OH-CB 3.49Å |
| 542 | V | 90.6 | Very high | 86.2 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.5 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | P544 G552 R554 E559 | V542-P544 WeakPolarHBondContact O-CD 3.41Å; V542-G552 PolarHBondContact N-O 3.45Å; V542-G552 PolarHBondContact O-N 3.32Å; V542-R554 HydrophobicContact CG2-CG 3.8Å; V542-E559 WeakPolarHBondContact CG1-OE1 3.42Å; V542-E559 HydrophobicContact CG2-CG 4.23Å |
| 543 | K | 88.8 | Confident | 86.3 | Confident | 124 Ų | 124 | 69.5 Ų | 69.5 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | trans | -95.2 | 111.3 | 170 | -177.3 | 173.4 | -177.9 | -178.7 | 0 | 109.1 | H532 | H532-K543 HydrophobicContact CB-CD 4.39Š| ||
| 544 | P | 86 | Confident | 86.4 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | trans | -58.6 | 140.5 | 174.6 | -25.3 | 37.3 | 0 | 0 | 0 | 111.2 | V542 A547 L550 V561 | V542-P544 WeakPolarHBondContact O-CD 3.41Å; P544-A547 HydrophobicContact CB-CB 4.18Å; P544-L550 VanDerWaalsContact CD-O 3.27Å; P544-L550 WeakPolarHBondContact CD-O 3.43Å; P544-L550 HydrophobicContact CG-CB 3.88Å; P544-L550 WeakPolarHBondContact CG-O 3.22Å; P544-V561 HydrophobicContact CG-CG1 4.35Å | ||
| 545 | R | 78.1 | Confident | 86.6 | Confident | 253 Ų | 253 | 67.9 Ų | 67.9 | 96% | 0.955 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -77.7 | -27.3 | -175.4 | -68.1 | -176.7 | -179.8 | 178.6 | 0.4 | 114.1 | ||
| 546 | V | 75.2 | Confident | 86.5 | Confident | 138 Ų | 138 | 69.4 Ų | 69.4 | 84% | 0.836 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -124.2 | -23.7 | -168.2 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 547 | A | 72 | Confident | 86.5 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | trans | -94.4 | 117.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P544 L550 | P544-A547 HydrophobicContact CB-CB 4.18Å; A547-L550 HydrophobicContact CB-CB 4Å; A547-L550 HydrophobicContact CB-CD1 3.44Å; A547-L550 VanDerWaalsContact CB-CD1 3.44Å; A547-L550 HydrophobicContact CB-CG 3.74Å | ||
| 548 | V | 75.1 | Confident | 86.5 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 69% | 0.685 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.6 | -170.1 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | L528 | L528-V548 WeakPolarHBondContact CD2-O 3.1Š|
| 549 | H | 84.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 17.4 | -173.7 | -51.7 | -69.8 | 0 | 0 | 0 | 114.1 | D525 V564 R565 | D525-H549 IonicContact OD1-CE1 3.39Å; D525-H549 PolarHBondContact OD1-CE1 2.89Å; D525-H549 IonicContact OD1-ND1 2.95Å; D525-H549 PolarHBondContact OD1-ND1 3.36Å; H549-V564 PolarHBondContact O-N 3.43Å; H549-V564 VanDerWaalsContact O-N 3.14Å; H549-R565 HydrophobicContact CB-CG 4.35Å |
| 550 | L | 90.1 | Very high | 86.7 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.1 | -173.7 | -60.2 | -175.4 | 0 | 0 | 0 | 111.9 | P544 A547 V561 Y562 D563 | P544-L550 VanDerWaalsContact CD-O 3.27Å; P544-L550 WeakPolarHBondContact CD-O 3.43Å; P544-L550 HydrophobicContact CG-CB 3.88Å; P544-L550 WeakPolarHBondContact CG-O 3.22Å; A547-L550 HydrophobicContact CB-CB 4Å; A547-L550 HydrophobicContact CB-CD1 3.44Å; A547-L550 VanDerWaalsContact CB-CD1 3.44Å; A547-L550 HydrophobicContact CB-CG 3.74Å; L550-V561 HydrophobicContact CB-CG1 3.73Å; L550-V561 HydrophobicContact CD1-CG1 3.73Å; L550-V561 HydrophobicContact CD2-CG1 4.45Å; L550-V561 HydrophobicContact CG-CG1 4.17Å; L550-Y562 VanDerWaalsContact CA-O 3.28Å; L550-Y562 WeakPolarHBondContact CA-O 3.45Å; L550-D563 HydrophobicContact CD2-CB 3.77Å |
| 551 | F | 92.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153 | 163.6 | 71.7 | -79.3 | 0 | 0 | 0 | 110.3 | F453 L509 L528 L531 Y541 V553 Y562 V564 M567 | F453-F551 HydrophobicContact CD2-CE2 4.41Å; F453-F551 HydrophobicContact CD2-CZ 4.32Å; F453-F551 HydrophobicContact CE2-CE2 4.29Å; F453-F551 HydrophobicContact CE2-CZ 4.47Å; L509-F551 HydrophobicContact CD1-CE2 4.49Å; L528-F551 HydrophobicContact CD1-CB 3.93Å; L528-F551 HydrophobicContact CD1-CD1 4.42Å; L531-F551 HydrophobicContact CD1-CD1 4.27Å; L531-F551 HydrophobicContact CD1-CE1 4.36Å; L531-F551 HydrophobicContact CD1-CG 4.42Å; Y541-F551 HydrophobicContact CE2-CB 4.06Å; Y541-F551 AromaticContact CE2-CD2 3.93Å; Y541-F551 HydrophobicContact CE2-CD2 3.93Å; Y541-F551 HydrophobicContact CE2-CG 4.36Å; Y541-F551 WeakPolarHBondContact OH-CB 3.49Å; F551-V553 HydrophobicContact CD2-CG2 4.14Å; F551-V553 HydrophobicContact CE2-CG2 3.94Å; F551-Y562 HydrophobicContact CD2-CD2 4.37Å; F551-Y562 AromaticContact CE2-CD2 3.82Å; F551-Y562 HydrophobicContact CE2-CD2 3.82Å; F551-Y562 HydrophobicContact CE2-CG 4.37Å; F551-Y562 HydrophobicContact CZ-CD2 4.03Å; F551-Y562 HydrophobicContact CZ-CG 4.11Å; F551-Y562 PolarHBondContact N-O 3.28Å; F551-Y562 PolarHBondContact O-N 3.47Å; F551-V564 HydrophobicContact CD1-CG2 3.47Å; F551-V564 VanDerWaalsContact CD1-CG2 3.47Å; F551-V564 HydrophobicContact CE1-CG2 3.79Å; F551-M567 HydrophobicContact CE1-CE 3.68Å; F551-M567 HydrophobicContact CE1-SD 3.74Å; F551-M567 HydrophobicContact CZ-CE 3.84Å; F551-M567 HydrophobicContact CZ-SD 4.17Å |
| 552 | G | 91.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V542 V560 | V542-G552 PolarHBondContact N-O 3.45Å; V542-G552 PolarHBondContact O-N 3.32Å; G552-V560 CarbonylContact C-O 3.57Å; G552-V560 VanDerWaalsContact CA-O 3.25Å; G552-V560 WeakPolarHBondContact CA-O 3.35Å |
| 553 | V | 92.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.6 | 170.4 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | F453 L499 L509 F540 F551 H555 V560 Y562 | F453-V553 HydrophobicContact CE2-CG2 4.41Å; L499-V553 HydrophobicContact CD2-CG1 4.46Å; L509-V553 HydrophobicContact CD1-CG2 3.91Å; F540-V553 WeakPolarHBondContact O-CA 3.33Å; F551-V553 HydrophobicContact CD2-CG2 4.14Å; F551-V553 HydrophobicContact CE2-CG2 3.94Å; V553-H555 PolarHBondContact O-N 3.15Å; V553-V560 PolarHBondContact N-O 2.76Å; V553-V560 PolarHBondContact O-N 2.73Å; V553-Y562 HydrophobicContact CB-CE2 4.06Å; V553-Y562 HydrophobicContact CG2-CD2 4.28Å; V553-Y562 HydrophobicContact CG2-CE2 4.01Å |
| 554 | R | 91.6 | Very high | 86.8 | Confident | 116 Ų | 116 | 50.5 Ų | 50.5 | 44% | 0.438 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 92.7 | 173 | -66.4 | -178.3 | -179.2 | 157.6 | -6.1 | 109.2 | C496 P539 F540 V542 E559 | C496-R554 PolarHBondContact SG-O 2.82Å; P539-R554 WeakPolarHBondContact O-CD 3.33Å; P539-R554 PolarHBondContact O-NH1 3.49Å; F540-R554 HydrophobicContact CD1-CB 4.21Å; F540-R554 WeakPolarHBondContact CD1-O 3.5Å; F540-R554 PolarHBondContact O-N 2.88Å; V542-R554 HydrophobicContact CG2-CG 3.8Å; R554-E559 HydrophobicContact CG-CB 4.35Å; R554-E559 HydrophobicContact CG-CG 4.26Å; R554-E559 IonicContact NE-OE2 3.91Å |
| 555 | H | 90.9 | Very high | 86.8 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 167.2 | 174.1 | -69.8 | -77.1 | 0 | 0 | 0 | 111.2 | F442 E460 V553 A557 G558 Y562 | F442-H555 HydrophobicContact CE2-CB 3.58Å; F442-H555 AromaticContact CE2-CG 3.83Å; F442-H555 HydrophobicContact CZ-CB 3.8Å; E460-H555 VanDerWaalsContact OE2-CA 3.27Å; E460-H555 WeakPolarHBondContact OE2-CA 3.34Å; E460-H555 VanDerWaalsContact OE2-CB 3.23Å; E460-H555 WeakPolarHBondContact OE2-CB 3.44Å; E460-H555 IonicContact OE2-CG 2.62Å; E460-H555 IonicContact OE2-ND1 3.9Å; E460-H555 PolarHBondContact OE2-ND1 3.44Å; V553-H555 PolarHBondContact O-N 3.15Å; H555-A557 PolarHBondContact O-N 3.47Å; H555-G558 WeakPolarHBondContact CB-O 3.48Å; H555-G558 PolarHBondContact N-O 2.97Å; H555-G558 PolarHBondContact O-N 3.25Å; H555-Y562 PolarHBondContact CD2-OH 3.05Å; H555-Y562 AromaticContact NE2-CE2 3.68Å; H555-Y562 AromaticContact NE2-CZ 3.64Å; H555-Y562 PolarHBondContact NE2-OH 3.46Å |
| 556 | Y | 87.1 | Confident | 86.7 | Confident | 43 Ų | 43 | 44 Ų | 44 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -40.9 | 174.9 | 77.3 | -77.7 | 0 | 0 | 0 | 112.2 | F442 N459 E460 Q463 G558 Y688 | F442-Y556 HydrophobicContact CD2-CE1 4.12Å; N459-Y556 HydrophobicContact CB-CE1 4.23Å; E460-Y556 WeakPolarHBondContact OE1-CB 3.36Å; E460-Y556 PolarHBondContact OE1-N 3.49Å; E460-Y556 PolarHBondContact OE2-N 2.94Å; E460-Y556 VanDerWaalsContact OE2-N 3.15Å; Q463-Y556 HydrophobicContact CB-CD1 4.19Å; Q463-Y556 HydrophobicContact CB-CD2 4.35Å; Q463-Y556 HydrophobicContact CB-CE1 4.23Å; Q463-Y556 HydrophobicContact CB-CE2 4.37Å; Q463-Y556 HydrophobicContact CB-CG 4.26Å; Q463-Y556 HydrophobicContact CG-CD1 4.36Å; Q463-Y556 HydrophobicContact CG-CD2 3.76Å; Q463-Y556 HydrophobicContact CG-CE2 4.07Å; Q463-Y556 HydrophobicContact CG-CG 3.91Å; Y556-G558 VanDerWaalsContact C-N 3.33Å; Y556-G558 PolarHBondContact O-N 3.27Å; Y556-Y688 AromaticContact CD2-CD2 3.74Å; Y556-Y688 HydrophobicContact CD2-CD2 3.74Å; Y556-Y688 HydrophobicContact CD2-CE2 4.44Å; Y556-Y688 WeakPolarHBondContact CD2-O 3.43Å; Y556-Y688 AromaticContact CE2-CD2 3.54Å; Y556-Y688 HydrophobicContact CE2-CD2 3.54Å; Y556-Y688 AromaticContact CE2-CE2 3.8Å; Y556-Y688 HydrophobicContact CE2-CE2 3.8Å; Y556-Y688 VanDerWaalsContact O-CB 3.24Å; Y556-Y688 WeakPolarHBondContact O-CB 3Å |
| 557 | A | 84.1 | Confident | 87 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F442 H555 Y688 | F442-A557 HydrophobicContact CD1-CB 3.69Å; F442-A557 HydrophobicContact CD2-CB 4.03Å; F442-A557 HydrophobicContact CE1-CB 3.65Å; F442-A557 HydrophobicContact CE2-CB 4Å; F442-A557 HydrophobicContact CG-CB 3.88Å; F442-A557 HydrophobicContact CZ-CB 3.8Å; H555-A557 PolarHBondContact O-N 3.47Å; A557-Y688 HydrophobicContact CB-CD1 4.13Å; A557-Y688 HydrophobicContact CB-CD2 3.75Å; A557-Y688 HydrophobicContact CB-CE1 4.18Å; A557-Y688 HydrophobicContact CB-CE2 3.86Å; A557-Y688 HydrophobicContact CB-CG 3.95Å |
| 558 | G | 86.1 | Confident | 87.4 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.3 | 176 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | H555 Y556 | H555-G558 WeakPolarHBondContact CB-O 3.48Å; H555-G558 PolarHBondContact N-O 2.97Å; H555-G558 PolarHBondContact O-N 3.25Å; Y556-G558 VanDerWaalsContact C-N 3.33Å; Y556-G558 PolarHBondContact O-N 3.27Å |
| 559 | E | 91.2 | Very high | 87.3 | Confident | 89 Ų | 89 | 35.1 Ų | 35.1 | 42% | 0.416 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.5 | 176.6 | -171.8 | 175.4 | 136.7 | 0 | 0 | 111 | N444 V542 R554 | N444-E559 PolarHBondContact ND2-O 3.27Å; V542-E559 WeakPolarHBondContact CG1-OE1 3.42Å; V542-E559 HydrophobicContact CG2-CG 4.23Å; R554-E559 HydrophobicContact CG-CB 4.35Å; R554-E559 HydrophobicContact CG-CG 4.26Å; R554-E559 IonicContact NE-OE2 3.91Å |
| 560 | V | 91.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.2 | 176 | -174.8 | 0 | 0 | 0 | 0 | 109 | F442 N444 N448 G552 V553 Y562 | F442-V560 HydrophobicContact CE1-CG2 4.02Å; F442-V560 HydrophobicContact CE2-CG2 4.42Å; F442-V560 HydrophobicContact CZ-CG2 3.47Å; F442-V560 VanDerWaalsContact CZ-CG2 3.47Å; N444-V560 HydrophobicContact CB-CG2 4.31Å; N448-V560 HydrophobicContact CB-CG1 4.15Å; N448-V560 WeakPolarHBondContact ND2-CG1 3.46Å; G552-V560 CarbonylContact C-O 3.57Å; G552-V560 VanDerWaalsContact CA-O 3.25Å; G552-V560 WeakPolarHBondContact CA-O 3.35Å; V553-V560 PolarHBondContact N-O 2.76Å; V553-V560 PolarHBondContact O-N 2.73Å; V560-Y562 HydrophobicContact CB-CE1 4.46Å; V560-Y562 HydrophobicContact CB-CE2 3.96Å; V560-Y562 HydrophobicContact CG1-CD1 4.25Å; V560-Y562 HydrophobicContact CG1-CD2 4.5Å; V560-Y562 HydrophobicContact CG1-CE1 3.6Å; V560-Y562 HydrophobicContact CG1-CE2 3.91Å; V560-Y562 VanDerWaalsContact CG1-CZ 3.41Å |
| 561 | V | 92.6 | Very high | 85.8 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 29% | 0.291 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.4 | 178 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | N448 P544 L550 | N448-V561 WeakPolarHBondContact CB-O 3.24Å; N448-V561 PolarHBondContact ND2-O 2.8Å; P544-V561 HydrophobicContact CG-CG1 4.35Å; L550-V561 HydrophobicContact CB-CG1 3.73Å; L550-V561 HydrophobicContact CD1-CG1 3.73Å; L550-V561 HydrophobicContact CD2-CG1 4.45Å; L550-V561 HydrophobicContact CG-CG1 4.17Å |
| 562 | Y | 91.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.4 | -176 | -59.4 | -76.4 | 0 | 0 | 0 | 112 | N448 Q452 F453 N456 L550 F551 V553 H555 V560 | N448-Y562 HydrophobicContact CB-CD1 3.6Å; N448-Y562 HydrophobicContact CB-CE1 3.94Å; N448-Y562 HydrophobicContact CB-CG 4.49Å; N448-Y562 WeakPolarHBondContact O-CA 3.39Å; Q452-Y562 HydrophobicContact CB-CE1 4.18Å; F453-Y562 VanDerWaalsContact CA-CE1 3.43Å; F453-Y562 HydrophobicContact CB-CD1 3.84Å; F453-Y562 HydrophobicContact CB-CE1 3.71Å; F453-Y562 HydrophobicContact CB-CG 4.42Å; F453-Y562 HydrophobicContact CD2-CD2 4.09Å; F453-Y562 HydrophobicContact CD2-CE1 4.3Å; F453-Y562 AromaticContact CD2-CE2 3.85Å; F453-Y562 HydrophobicContact CD2-CE2 3.85Å; F453-Y562 HydrophobicContact CD2-CG 4.41Å; F453-Y562 AromaticContact CD2-CZ 3.95Å; N456-Y562 WeakPolarHBondContact CB-OH 3.2Å; N456-Y562 PolarHBondContact ND2-OH 3.14Å; L550-Y562 VanDerWaalsContact CA-O 3.28Å; L550-Y562 WeakPolarHBondContact CA-O 3.45Å; F551-Y562 HydrophobicContact CD2-CD2 4.37Å; F551-Y562 AromaticContact CE2-CD2 3.82Å; F551-Y562 HydrophobicContact CE2-CD2 3.82Å; F551-Y562 HydrophobicContact CE2-CG 4.37Å; F551-Y562 HydrophobicContact CZ-CD2 4.03Å; F551-Y562 HydrophobicContact CZ-CG 4.11Å; F551-Y562 PolarHBondContact N-O 3.28Å; F551-Y562 PolarHBondContact O-N 3.47Å; V553-Y562 HydrophobicContact CB-CE2 4.06Å; V553-Y562 HydrophobicContact CG2-CD2 4.28Å; V553-Y562 HydrophobicContact CG2-CE2 4.01Å; H555-Y562 PolarHBondContact CD2-OH 3.05Å; H555-Y562 AromaticContact NE2-CE2 3.68Å; H555-Y562 AromaticContact NE2-CZ 3.64Å; H555-Y562 PolarHBondContact NE2-OH 3.46Å; V560-Y562 HydrophobicContact CB-CE1 4.46Å; V560-Y562 HydrophobicContact CB-CE2 3.96Å; V560-Y562 HydrophobicContact CG1-CD1 4.25Å; V560-Y562 HydrophobicContact CG1-CD2 4.5Å; V560-Y562 HydrophobicContact CG1-CE1 3.6Å; V560-Y562 HydrophobicContact CG1-CE2 3.91Å; V560-Y562 VanDerWaalsContact CG1-CZ 3.41Å |
| 563 | D | 90.3 | Very high | 83.2 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.2 | 172.9 | -176.3 | 0.4 | 0 | 0 | 0 | 110.7 | V447 N448 L550 R565 | V447-D563 HydrophobicContact CG1-CB 4.49Å; N448-D563 PolarHBondContact O-N 3.16Å; L550-D563 HydrophobicContact CD2-CB 3.77Å; D563-R565 VanDerWaalsContact C-N 3.3Å; D563-R565 PolarHBondContact O-N 3.45Å; D563-R565 WeakPolarHBondContact OD1-CB 3.28Å; D563-R565 VanDerWaalsContact OD1-CG 3.3Å; D563-R565 WeakPolarHBondContact OD1-CG 3.29Å; D563-R565 IonicContact OD1-CZ 2.76Å; D563-R565 PolarHBondContact OD1-N 3.43Å; D563-R565 IonicContact OD1-NE 3.83Å; D563-R565 PolarHBondContact OD1-NE 2.74Å; D563-R565 IonicContact OD1-NH2 3.22Å; D563-R565 IonicContact OD2-CZ 3.63Å; D563-R565 IonicContact OD2-NE 3.1Å; D563-R565 PolarHBondContact OD2-NE 3.4Å; D563-R565 IonicContact OD2-NH2 3.65Å; D563-R565 PolarHBondContact OD2-NH2 3.14Å |
| 564 | V | 88.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | trans | -77.2 | -17.9 | -176.2 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | D524 L527 L528 H549 F551 G566 M567 | D524-V564 HydrophobicContact CB-CG1 3.98Å; D524-V564 VanDerWaalsContact CG-O 3.29Å; D524-V564 WeakPolarHBondContact O-CG1 3.37Å; L527-V564 HydrophobicContact CD2-CG1 3.77Å; L527-V564 HydrophobicContact CG-CG1 4.28Å; L528-V564 HydrophobicContact CB-CG1 4.46Å; L528-V564 HydrophobicContact CB-CG2 4.14Å; L528-V564 HydrophobicContact CD1-CG2 3.83Å; L528-V564 HydrophobicContact CD2-CG2 4Å; L528-V564 HydrophobicContact CG-CG2 4.2Å; H549-V564 PolarHBondContact O-N 3.43Å; H549-V564 VanDerWaalsContact O-N 3.14Å; F551-V564 HydrophobicContact CD1-CG2 3.47Å; F551-V564 VanDerWaalsContact CD1-CG2 3.47Å; F551-V564 HydrophobicContact CE1-CG2 3.79Å; V564-G566 PolarHBondContact O-N 3.35Å; V564-M567 HydrophobicContact CB-SD 4.42Å; V564-M567 HydrophobicContact CG1-CB 4.31Å; V564-M567 HydrophobicContact CG1-CG 4.47Å; V564-M567 HydrophobicContact CG1-SD 4.19Å; V564-M567 WeakPolarHBondContact O-CB 3.45Å; V564-M567 WeakPolarHBondContact O-CG 3.47Å; V564-M567 PolarHBondContact O-N 2.78Å | ||
| 565 | R | 85.4 | Confident | 80.3 | Confident | 129 Ų | 129 | 37.1 Ų | 37.1 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 122.7 | -174.7 | -64.5 | 175.2 | -63.3 | 175.4 | 1.6 | 112 | H549 D563 M567 | H549-R565 HydrophobicContact CB-CG 4.35Å; D563-R565 VanDerWaalsContact C-N 3.3Å; D563-R565 PolarHBondContact O-N 3.45Å; D563-R565 WeakPolarHBondContact OD1-CB 3.28Å; D563-R565 VanDerWaalsContact OD1-CG 3.3Å; D563-R565 WeakPolarHBondContact OD1-CG 3.29Å; D563-R565 IonicContact OD1-CZ 2.76Å; D563-R565 PolarHBondContact OD1-N 3.43Å; D563-R565 IonicContact OD1-NE 3.83Å; D563-R565 PolarHBondContact OD1-NE 2.74Å; D563-R565 IonicContact OD1-NH2 3.22Å; D563-R565 IonicContact OD2-CZ 3.63Å; D563-R565 IonicContact OD2-NE 3.1Å; D563-R565 PolarHBondContact OD2-NE 3.4Å; D563-R565 IonicContact OD2-NH2 3.65Å; D563-R565 PolarHBondContact OD2-NH2 3.14Å; R565-M567 VanDerWaalsContact C-N 3.31Å |
| 566 | G | 77 | Confident | 79.2 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 9.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | D524 V564 K570 | D524-G566 PolarHBondContact OD2-N 3.42Å; V564-G566 PolarHBondContact O-N 3.35Å; G566-K570 WeakPolarHBondContact O-CB 3.44Å; G566-K570 WeakPolarHBondContact O-CD 3.37Å; G566-K570 WeakPolarHBondContact O-CG 3.07Å; G566-K570 PolarHBondContact O-N 2.99Å; G566-K570 VanDerWaalsContact O-N 3.14Å |
| 567 | M | 81.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | 178.4 | -81.3 | -166.2 | 162.7 | 0 | 0 | 111.8 | F450 F453 M513 D524 L527 F551 V564 R565 N571 | F450-M567 HydrophobicContact CB-CE 4.5Å; F450-M567 HydrophobicContact CB-CG 4.1Å; F450-M567 HydrophobicContact CD2-CG 4.35Å; F453-M567 HydrophobicContact CB-CE 4.45Å; M513-M567 HydrophobicContact CE-CB 4.03Å; M513-M567 HydrophobicContact CE-CG 4.34Å; M513-M567 HydrophobicContact CE-SD 3.91Å; D524-M567 PolarHBondContact OD1-N 3.28Å; L527-M567 HydrophobicContact CD2-CB 4.41Å; F551-M567 HydrophobicContact CE1-CE 3.68Å; F551-M567 HydrophobicContact CE1-SD 3.74Å; F551-M567 HydrophobicContact CZ-CE 3.84Å; F551-M567 HydrophobicContact CZ-SD 4.17Å; V564-M567 HydrophobicContact CB-SD 4.42Å; V564-M567 HydrophobicContact CG1-CB 4.31Å; V564-M567 HydrophobicContact CG1-CG 4.47Å; V564-M567 HydrophobicContact CG1-SD 4.19Å; V564-M567 WeakPolarHBondContact O-CB 3.45Å; V564-M567 WeakPolarHBondContact O-CG 3.47Å; V564-M567 PolarHBondContact O-N 2.78Å; R565-M567 VanDerWaalsContact C-N 3.31Å; M567-N571 VanDerWaalsContact O-CB 3.25Å; M567-N571 WeakPolarHBondContact O-CB 3Å; M567-N571 PolarHBondContact O-N 3.34Å |
| 568 | L | 79.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | -179.3 | -71.4 | -178.5 | 0 | 0 | 0 | 112 | E516 A522 T523 D524 L527 N571 R572 | E516-L568 HydrophobicContact CB-CD1 4.28Å; E516-L568 HydrophobicContact CB-CD2 3.62Å; A522-L568 HydrophobicContact CB-CD1 4.12Å; T523-L568 VanDerWaalsContact C-CD1 3.41Å; T523-L568 VanDerWaalsContact O-CD1 3.31Å; T523-L568 WeakPolarHBondContact O-CD1 3.01Å; D524-L568 WeakPolarHBondContact OD1-CB 3.4Å; D524-L568 PolarHBondContact OD1-N 3.02Å; L527-L568 HydrophobicContact CB-CD1 4.2Å; L527-L568 HydrophobicContact CB-CD2 4.31Å; L527-L568 HydrophobicContact CB-CG 4.3Å; L527-L568 HydrophobicContact CD2-CD2 3.74Å; L527-L568 HydrophobicContact CD2-CG 3.95Å; L527-L568 HydrophobicContact CG-CD2 4.4Å; L568-N571 PolarHBondContact O-N 3.43Å; L568-R572 WeakPolarHBondContact O-CB 3.43Å; L568-R572 VanDerWaalsContact O-CG 3.27Å; L568-R572 WeakPolarHBondContact O-CG 3.38Å; L568-R572 PolarHBondContact O-N 2.94Å |
| 569 | E | 72.2 | Confident | 77.9 | Confident | 98 Ų | 98 | 35.5 Ų | 35.5 | 46% | 0.458 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.9 | -176.8 | 170.8 | -156.2 | 0 | 0 | 111.8 | N571 R572 D573 | E569-N571 VanDerWaalsContact C-N 3.3Å; E569-N571 PolarHBondContact O-N 3.21Å; E569-R572 PolarHBondContact O-N 3.06Å; E569-D573 PolarHBondContact O-N 3.4Å |
| 570 | K | 72.9 | Confident | 77.3 | Confident | 51 Ų | 51 | 31.3 Ų | 31.3 | 22% | 0.222 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -37.5 | 174.1 | -73.8 | 177 | -177.8 | -177.7 | 0 | 112.6 | N249 F450 E451 G566 D573 | N249-K570 VanDerWaalsContact ND2-CE 3.29Å; N249-K570 WeakPolarHBondContact ND2-CE 3.48Å; N249-K570 PolarHBondContact ND2-NZ 2.75Å; N249-K570 VanDerWaalsContact ND2-NZ 3.18Å; F450-K570 HydrophobicContact CB-CD 3.92Å; F450-K570 HydrophobicContact CD1-CB 3.73Å; F450-K570 HydrophobicContact CD1-CD 4.19Å; F450-K570 HydrophobicContact CE1-CB 4.21Å; F450-K570 HydrophobicContact CG-CB 4.33Å; F450-K570 HydrophobicContact CG-CD 4.45Å; E451-K570 VanDerWaalsContact OE1-CE 3.24Å; E451-K570 WeakPolarHBondContact OE1-CE 3.32Å; E451-K570 IonicContact OE1-NZ 3.6Å; E451-K570 PolarHBondContact OE1-NZ 3.06Å; E451-K570 IonicContact OE2-NZ 3.91Å; E451-K570 PolarHBondContact OE2-NZ 3.09Å; G566-K570 WeakPolarHBondContact O-CB 3.44Å; G566-K570 WeakPolarHBondContact O-CD 3.37Å; G566-K570 WeakPolarHBondContact O-CG 3.07Å; G566-K570 PolarHBondContact O-N 2.99Å; G566-K570 VanDerWaalsContact O-N 3.14Å; K570-D573 PolarHBondContact O-N 3.36Å |
| 571 | N | 71.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.4 | -34.3 | 179.8 | -164.9 | 37.7 | 0 | 0 | 0 | 112.5 | F450 N514 S517 M567 L568 E569 D573 I639 S640 T641 | F450-N571 HydrophobicContact CE2-CB 4.49Å; F450-N571 HydrophobicContact CZ-CB 4.19Å; N514-N571 PolarHBondContact OD1-ND2 3.4Å; N514-N571 VanDerWaalsContact OD1-ND2 3.07Å; S517-N571 PolarHBondContact OG-ND2 3.22Å; M567-N571 VanDerWaalsContact O-CB 3.25Å; M567-N571 WeakPolarHBondContact O-CB 3Å; M567-N571 PolarHBondContact O-N 3.34Å; L568-N571 PolarHBondContact O-N 3.43Å; E569-N571 VanDerWaalsContact C-N 3.3Å; E569-N571 PolarHBondContact O-N 3.21Å; N571-D573 PolarHBondContact O-N 2.97Å; N571-I639 WeakPolarHBondContact ND2-CG2 3.44Å; N571-I639 WeakPolarHBondContact O-CG2 3.07Å; N571-I639 WeakPolarHBondContact OD1-CG2 3.44Å; N571-S640 PolarHBondContact O-N 3.42Å; N571-S640 VanDerWaalsContact O-N 3.15Å; N571-T641 WeakPolarHBondContact OD1-CG2 3.48Å; N571-T641 PolarHBondContact OD1-N 3.44Å; N571-T641 PolarHBondContact OD1-OG1 2.61Å; N571-T641 VanDerWaalsContact OD1-OG1 3.14Å |
| 572 | R | 67.9 | Low | 76.2 | Confident | 63 Ų | 63 | 32.1 Ų | 32.1 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -24.7 | 173 | -73.6 | 172 | -179.8 | 158.9 | 10.2 | 112.6 | E516 S517 F519 L568 E569 T574 | E516-R572 PolarHBondContact O-NH2 3.13Å; S517-R572 PolarHBondContact O-NE 3.4Å; F519-R572 PolarHBondContact O-NH2 3.36Å; L568-R572 WeakPolarHBondContact O-CB 3.43Å; L568-R572 VanDerWaalsContact O-CG 3.27Å; L568-R572 WeakPolarHBondContact O-CG 3.38Å; L568-R572 PolarHBondContact O-N 2.94Å; E569-R572 PolarHBondContact O-N 3.06Å; R572-T574 HydrophobicContact CB-CG2 4.31Å; R572-T574 PolarHBondContact O-N 2.98Å |
| 573 | D | 60.3 | Low | 75.7 | Confident | 72 Ų | 72 | 32.1 Ų | 32.1 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 49.5 | -177 | -170.6 | 46 | 0 | 0 | 0 | 111.2 | E569 K570 N571 F575 R616 | E569-D573 PolarHBondContact O-N 3.4Å; K570-D573 PolarHBondContact O-N 3.36Å; N571-D573 PolarHBondContact O-N 2.97Å; D573-F575 VanDerWaalsContact C-N 3.28Å; D573-F575 PolarHBondContact O-N 3.46Å; D573-R616 PolarHBondContact O-NH1 3.41Å; D573-R616 IonicContact OD2-CZ 3.91Å; D573-R616 IonicContact OD2-NH1 3.93Å; D573-R616 PolarHBondContact OD2-NH1 2.97Å; D573-R616 IonicContact OD2-NH2 3.42Å; D573-R616 PolarHBondContact OD2-NH2 3.28Å |
| 574 | T | 59 | Low | 75.1 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 44% | 0.442 | 17% | 0.167 | S | C | . | . | trans | -70.3 | 79.4 | -169.9 | 9.7 | 0 | 0 | 0 | 0 | 111.6 | R572 | R572-T574 HydrophobicContact CB-CG2 4.31Å; R572-T574 PolarHBondContact O-N 2.98Å | ||
| 575 | F | 64.3 | Low | 74.3 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | trans | -79.8 | 117.7 | 166.3 | -167.5 | -112.4 | 0 | 0 | 0 | 109.7 | A408 D573 I579 L580 L583 F610 | A408-F575 HydrophobicContact CB-CD2 3.75Å; A408-F575 HydrophobicContact CB-CE2 3.35Å; A408-F575 HydrophobicContact CB-CZ 3.88Å; D573-F575 VanDerWaalsContact C-N 3.28Å; D573-F575 PolarHBondContact O-N 3.46Å; F575-I579 HydrophobicContact CE2-CB 4.47Å; F575-I579 HydrophobicContact CE2-CG2 4.01Å; F575-I579 HydrophobicContact CZ-CB 4.17Å; F575-I579 HydrophobicContact CZ-CG2 3.73Å; F575-L580 HydrophobicContact CD1-CB 4.12Å; F575-L580 HydrophobicContact CE1-CB 3.61Å; F575-L580 HydrophobicContact CE1-CD1 3.88Å; F575-L580 HydrophobicContact CE1-CG 4.29Å; F575-L583 HydrophobicContact CZ-CD1 3.89Å; F575-F610 HydrophobicContact CE1-CE1 4.46Å; F575-F610 HydrophobicContact CZ-CE1 4.35Å | ||
| 576 | R | 69.4 | Low | 73.3 | Confident | 34 Ų | 34 | 34.9 Ų | 34.9 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | trans | -69.8 | 130.7 | -177.6 | -69.2 | 176.3 | 57.3 | -155.7 | -9.3 | 110.9 | V376 H379 R380 S401 D578 I579 L580 | V376-R576 PolarHBondContact O-NH1 3.41Å; V376-R576 PolarHBondContact O-NH2 3.48Å; V376-R576 VanDerWaalsContact O-NH2 3.08Å; H379-R576 PolarHBondContact O-NH2 3.4Å; R380-R576 VanDerWaalsContact CA-NH2 3.32Å; S401-R576 WeakPolarHBondContact OG-CD 3.33Å; S401-R576 PolarHBondContact OG-NH1 3.31Å; R576-D578 IonicContact CZ-OD2 3.3Å; R576-D578 IonicContact NE-OD2 3.39Å; R576-D578 IonicContact NH2-OD2 2.74Å; R576-D578 PolarHBondContact NH2-OD2 3.08Å; R576-D578 PolarHBondContact O-N 2.9Å; R576-I579 HydrophobicContact CB-CD1 4.07Å; R576-I579 HydrophobicContact CB-CG1 4.14Å; R576-I579 PolarHBondContact O-N 3.27Å; R576-I579 VanDerWaalsContact O-N 3.14Å; R576-L580 PolarHBondContact O-N 2.84Å; R576-L580 VanDerWaalsContact O-N 3.14Å | ||
| 577 | D | 71.9 | Confident | 72.6 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -27.8 | 177.1 | -75.4 | -75.5 | 0 | 0 | 0 | 112.8 | I579 L580 N581 S615 R616 N617 | D577-I579 VanDerWaalsContact C-N 3.27Å; D577-I579 PolarHBondContact O-N 3.4Å; D577-L580 WeakPolarHBondContact O-CB 3.48Å; D577-L580 PolarHBondContact O-N 3.01Å; D577-L580 VanDerWaalsContact O-N 3.16Å; D577-N581 WeakPolarHBondContact O-CB 3.39Å; D577-N581 PolarHBondContact O-N 3.36Å; D577-N581 PolarHBondContact O-ND2 3.18Å; D577-S615 WeakPolarHBondContact OD1-CA 3.27Å; D577-S615 PolarHBondContact OD1-OG 3.17Å; D577-R616 PolarHBondContact OD1-N 2.85Å; D577-N617 WeakPolarHBondContact OD2-CB 3.1Å; D577-N617 PolarHBondContact OD2-N 3.4Å; D577-N617 PolarHBondContact OD2-ND2 3.02Å |
| 578 | D | 77.1 | Confident | 71 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 174.9 | -47.1 | -16.9 | 0 | 0 | 0 | 110.5 | V376 S381 R576 M582 | V376-D578 HydrophobicContact CG1-CB 3.72Å; S381-D578 PolarHBondContact N-OD2 2.89Å; S381-D578 PolarHBondContact OG-OD1 3.23Å; R576-D578 IonicContact CZ-OD2 3.3Å; R576-D578 IonicContact NE-OD2 3.39Å; R576-D578 IonicContact NH2-OD2 2.74Å; R576-D578 PolarHBondContact NH2-OD2 3.08Å; R576-D578 PolarHBondContact O-N 2.9Å; D578-M582 WeakPolarHBondContact O-CB 3.27Å; D578-M582 PolarHBondContact O-N 2.67Å; D578-M582 VanDerWaalsContact O-N 3.12Å |
| 579 | I | 79.9 | Confident | 69.2 | Low | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -42 | 176.3 | -58 | 173.2 | 0 | 0 | 0 | 109.9 | V376 S401 M405 F575 R576 D577 N581 M582 L583 | V376-I579 HydrophobicContact CG1-CB 4.44Å; V376-I579 HydrophobicContact CG1-CG1 3.66Å; S401-I579 WeakPolarHBondContact O-CD1 3.49Å; M405-I579 HydrophobicContact CB-CG2 3.99Å; M405-I579 HydrophobicContact CG-CG2 3.76Å; M405-I579 HydrophobicContact SD-CG2 4.06Å; F575-I579 HydrophobicContact CE2-CB 4.47Å; F575-I579 HydrophobicContact CE2-CG2 4.01Å; F575-I579 HydrophobicContact CZ-CB 4.17Å; F575-I579 HydrophobicContact CZ-CG2 3.73Å; R576-I579 HydrophobicContact CB-CD1 4.07Å; R576-I579 HydrophobicContact CB-CG1 4.14Å; R576-I579 PolarHBondContact O-N 3.27Å; R576-I579 VanDerWaalsContact O-N 3.14Å; D577-I579 VanDerWaalsContact C-N 3.27Å; D577-I579 PolarHBondContact O-N 3.4Å; I579-N581 PolarHBondContact O-N 2.9Å; I579-M582 PolarHBondContact O-N 3.44Å; I579-L583 HydrophobicContact CG2-CD1 4.12Å; I579-L583 HydrophobicContact CG2-CG 4.37Å; I579-L583 VanDerWaalsContact O-CG 3.32Å; I579-L583 WeakPolarHBondContact O-CG 3.21Å; I579-L583 PolarHBondContact O-N 3.31Å |
| 580 | L | 78.5 | Confident | 67.4 | Low | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 177.5 | -176.8 | 62 | 0 | 0 | 0 | 112.3 | F575 R576 D577 M582 L583 R584 F610 V613 | F575-L580 HydrophobicContact CD1-CB 4.12Å; F575-L580 HydrophobicContact CE1-CB 3.61Å; F575-L580 HydrophobicContact CE1-CD1 3.88Å; F575-L580 HydrophobicContact CE1-CG 4.29Å; R576-L580 PolarHBondContact O-N 2.84Å; R576-L580 VanDerWaalsContact O-N 3.14Å; D577-L580 WeakPolarHBondContact O-CB 3.48Å; D577-L580 PolarHBondContact O-N 3.01Å; D577-L580 VanDerWaalsContact O-N 3.16Å; L580-M582 VanDerWaalsContact C-N 3.33Å; L580-L583 PolarHBondContact O-N 3.42Å; L580-R584 WeakPolarHBondContact O-CG 3.34Å; L580-R584 PolarHBondContact O-N 2.86Å; L580-F610 HydrophobicContact CD1-CB 4.35Å; L580-F610 HydrophobicContact CD1-CD1 3.65Å; L580-F610 HydrophobicContact CD1-CG 4.43Å; L580-V613 HydrophobicContact CD1-CB 4.09Å; L580-V613 HydrophobicContact CD1-CG1 3.8Å; L580-V613 HydrophobicContact CD2-CG1 4.45Å |
| 581 | N | 79 | Confident | 65.4 | Low | 57 Ų | 57 | 57 Ų | 57 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | -179.7 | -66.9 | -27.5 | 0 | 0 | 0 | 110.2 | D577 I579 R584 E585 | D577-N581 WeakPolarHBondContact O-CB 3.39Å; D577-N581 PolarHBondContact O-N 3.36Å; D577-N581 PolarHBondContact O-ND2 3.18Å; I579-N581 PolarHBondContact O-N 2.9Å; N581-R584 CarbonylContact O-C 3.56Å; N581-R584 WeakPolarHBondContact O-CB 3.39Å; N581-R584 PolarHBondContact O-N 3.17Å; N581-E585 WeakPolarHBondContact O-CG 3.5Å; N581-E585 PolarHBondContact O-N 3.34Å |
| 582 | M | 81.4 | Confident | 63.4 | Low | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.1 | -170.8 | -144.9 | -60.1 | 0 | 0 | 112.5 | L368 L373 V376 D578 I579 L580 R584 E585 S586 | L368-M582 HydrophobicContact CB-SD 4.47Å; L368-M582 HydrophobicContact CD1-SD 3.84Å; L368-M582 HydrophobicContact CD2-CG 4.15Å; L368-M582 WeakPolarHBondContact CD2-O 3.33Å; L368-M582 HydrophobicContact CD2-SD 4.16Å; L368-M582 HydrophobicContact CG-SD 4.38Å; L373-M582 HydrophobicContact CB-CE 4.36Å; L373-M582 HydrophobicContact CB-SD 4.18Å; L373-M582 HydrophobicContact CD1-CE 3.81Å; L373-M582 HydrophobicContact CD1-SD 3.69Å; V376-M582 HydrophobicContact CB-CE 3.24Å; V376-M582 HydrophobicContact CG1-CE 3.56Å; V376-M582 HydrophobicContact CG2-CE 3.45Å; V376-M582 VanDerWaalsContact CG2-CE 3.45Å; D578-M582 WeakPolarHBondContact O-CB 3.27Å; D578-M582 PolarHBondContact O-N 2.67Å; D578-M582 VanDerWaalsContact O-N 3.12Å; I579-M582 PolarHBondContact O-N 3.44Å; L580-M582 VanDerWaalsContact C-N 3.33Å; M582-R584 PolarHBondContact O-N 3.26Å; M582-E585 CarbonylContact O-C 3.44Å; M582-E585 WeakPolarHBondContact O-CA 3.29Å; M582-E585 WeakPolarHBondContact O-CB 3.26Å; M582-E585 PolarHBondContact O-N 3.31Å; M582-S586 PolarHBondContact O-N 2.9Å |
| 583 | L | 80.8 | Confident | 61.5 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.4 | -29.4 | 176.4 | -71 | 175.3 | 0 | 0 | 0 | 112.3 | L368 L409 F575 I579 L580 E585 S586 V606 F610 | L368-L583 HydrophobicContact CD1-CD2 4.11Å; L409-L583 HydrophobicContact CD2-CD1 4.41Å; L409-L583 HydrophobicContact CD2-CD2 4.06Å; F575-L583 HydrophobicContact CZ-CD1 3.89Å; I579-L583 HydrophobicContact CG2-CD1 4.12Å; I579-L583 HydrophobicContact CG2-CG 4.37Å; I579-L583 VanDerWaalsContact O-CG 3.32Å; I579-L583 WeakPolarHBondContact O-CG 3.21Å; I579-L583 PolarHBondContact O-N 3.31Å; L580-L583 PolarHBondContact O-N 3.42Å; L583-E585 VanDerWaalsContact C-N 3.32Å; L583-S586 WeakPolarHBondContact O-CB 3.49Å; L583-S586 PolarHBondContact O-N 3.35Å; L583-V606 HydrophobicContact CD2-CG1 4.21Å; L583-F610 HydrophobicContact CB-CD2 4.41Å; L583-F610 HydrophobicContact CB-CG 4.34Å; L583-F610 HydrophobicContact CD1-CD1 4.2Å; L583-F610 HydrophobicContact CD1-CD2 4.37Å; L583-F610 HydrophobicContact CD1-CE1 3.8Å; L583-F610 HydrophobicContact CD1-CE2 4.04Å; L583-F610 HydrophobicContact CD1-CG 4.46Å; L583-F610 HydrophobicContact CD1-CZ 3.72Å |
| 584 | R | 78.2 | Confident | 60.3 | Low | 68 Ų | 68 | 75.1 Ų | 75.1 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -76.5 | -17.2 | 171.3 | -71.9 | 167.8 | 162.1 | -174.8 | -13.2 | 113.8 | L580 N581 M582 S586 Y607 F610 E611 V613 | L580-R584 WeakPolarHBondContact O-CG 3.34Å; L580-R584 PolarHBondContact O-N 2.86Å; N581-R584 CarbonylContact O-C 3.56Å; N581-R584 WeakPolarHBondContact O-CB 3.39Å; N581-R584 PolarHBondContact O-N 3.17Å; M582-R584 PolarHBondContact O-N 3.26Å; R584-S586 VanDerWaalsContact C-N 3.33Å; R584-Y607 WeakPolarHBondContact O-CD2 3.21Å; R584-Y607 WeakPolarHBondContact O-CE2 3.48Å; R584-F610 HydrophobicContact CG-CB 4.38Å; R584-F610 PolarHBondContact NE-O 2.86Å; R584-E611 PolarHBondContact NH2-O 3.35Å; R584-V613 PolarHBondContact NH2-O 3.44Å |
| 585 | E | 71.8 | Confident | 59 | Low | 119 Ų | 119 | 79.9 Ų | 79.9 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.8 | 171.5 | -70.5 | 179.2 | -166.7 | 0 | 0 | 112.3 | N581 M582 L583 R587 | N581-E585 WeakPolarHBondContact O-CG 3.5Å; N581-E585 PolarHBondContact O-N 3.34Å; M582-E585 CarbonylContact O-C 3.44Å; M582-E585 WeakPolarHBondContact O-CA 3.29Å; M582-E585 WeakPolarHBondContact O-CB 3.26Å; M582-E585 PolarHBondContact O-N 3.31Å; L583-E585 VanDerWaalsContact C-N 3.32Å; E585-R587 PolarHBondContact O-N 3.48Å; E585-R587 VanDerWaalsContact O-N 3.15Å |
| 586 | S | 65.4 | Low | 57.5 | Low | 5 Ų | 5 | 85.5 Ų | 85.5 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | trans | -52.9 | 120.9 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | L366 G367 M582 L583 R584 | L366-S586 PolarHBondContact O-OG 2.93Å; G367-S586 WeakPolarHBondContact O-CA 3.47Å; M582-S586 PolarHBondContact O-N 2.9Å; L583-S586 WeakPolarHBondContact O-CB 3.49Å; L583-S586 PolarHBondContact O-N 3.35Å; R584-S586 VanDerWaalsContact C-N 3.33Å | ||
| 587 | R | 61.1 | Low | 55.9 | Low | 196 Ų | 196 | 88.6 Ų | 88.6 | 74% | 0.74 | 48% | 0.475 | S | S | * | . | trans | -117 | 108.8 | 171.9 | -67.1 | 176.6 | -174.1 | 177.4 | 3 | 105.8 | G367 E585 V589 | G367-R587 CarbonylContact C-O 3.51Å; G367-R587 VanDerWaalsContact CA-O 3.3Å; G367-R587 WeakPolarHBondContact CA-O 3.42Å; G367-R587 CarbonylContact O-C 3.53Å; G367-R587 PolarHBondContact O-N 3.03Å; E585-R587 PolarHBondContact O-N 3.48Å; E585-R587 VanDerWaalsContact O-N 3.15Å; R587-V589 PolarHBondContact O-N 3.02Å | ||
| 588 | S | 48.3 | Very low | 54 | Low | 49 Ų | 49 | 90.7 Ų | 90.7 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | trans | -62.9 | 110.9 | 170.8 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | R332 G590 D604 | R332-S588 PolarHBondContact NH1-OG 3.24Å; S588-G590 VanDerWaalsContact C-N 3.31Å; S588-G590 PolarHBondContact O-N 3.14Å; S588-D604 WeakPolarHBondContact CB-OD1 3.38Å; S588-D604 PolarHBondContact N-OD1 3.17Å | ||
| 589 | V | 42.5 | Very low | 51.7 | Low | 98 Ų | 98 | 97.3 Ų | 97.3 | 59% | 0.594 | 53% | 0.533 | S | S | * | . | trans | -69.4 | 87.7 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | R587 W591 | R587-V589 PolarHBondContact O-N 3.02Å; V589-W591 HydrophobicContact CG1-CB 4.13Å; V589-W591 VanDerWaalsContact CG1-CD1 3.46Å; V589-W591 HydrophobicContact CG1-CG 3.96Å; V589-W591 PolarHBondContact O-N 2.96Å | ||
| 590 | G | 35 | Very low | 49.5 | Very low | 70 Ų | 70 | 106 Ų | 106 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | trans | -87.4 | 78.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S588 | S588-G590 VanDerWaalsContact C-N 3.31Å; S588-G590 PolarHBondContact O-N 3.14Å | ||
| 591 | W | 29.5 | Very low | 47.4 | Very low | 224 Ų | 224 | 113.8 Ų | 113.8 | 85% | 0.848 | 61% | 0.609 | S | S | * | * | trans | -87.2 | 130.5 | 167.5 | -90.5 | 49.2 | 0 | 0 | 0 | 109.9 | V589 | V589-W591 HydrophobicContact CG1-CB 4.13Å; V589-W591 VanDerWaalsContact CG1-CD1 3.46Å; V589-W591 HydrophobicContact CG1-CG 3.96Å; V589-W591 PolarHBondContact O-N 2.96Å | ||
| 592 | M | 30 | Very low | 45.8 | Very low | 179 Ų | 179 | 122.1 Ų | 122.1 | 88% | 0.882 | 64% | 0.636 | S | S | * | * | trans | 82.5 | 94.3 | 171 | -66.1 | 171.9 | 60.7 | 0 | 0 | 119 | ||||
| 593 | C | 28.4 | Very low | 44.2 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | -164 | 99 | 101.3 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | Q595 | C593-Q595 PolarHBondContact O-N 3.21Š| |||
| 594 | F | 34.7 | Very low | 43.5 | Very low | 216 Ų | 216 | 127.9 Ų | 127.9 | 95% | 0.947 | 67% | 0.667 | S | S | * | * | trans | -78.3 | 101 | 160.9 | -110.5 | -91.5 | 0 | 0 | 0 | 107.4 | ||||
| 595 | Q | 32.5 | Very low | 43.3 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | trans | 176 | 80.8 | 147.3 | -103 | 175.7 | -8.7 | 0 | 0 | 110.5 | C593 | C593-Q595 PolarHBondContact O-N 3.21Š| ||
| 596 | T | 31.6 | Very low | 43.6 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 88% | 0.877 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 161.9 | 131.5 | 135.7 | 28.7 | 0 | 0 | 0 | 0 | 108.2 | G598 | T596-G598 PolarHBondContact O-N 3.29Š|
| 597 | G | 36.1 | Very low | 44.2 | Very low | 98 Ų | 98 | 124 Ų | 124 | 100% | 1.01 | 65% | 0.649 | S | S | * | * | trans | -61 | 94.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 598 | G | 32.1 | Very low | 45.1 | Very low | 55 Ų | 55 | 118.2 Ų | 118.2 | 57% | 0.567 | 63% | 0.633 | S | S | * | * | trans | -131.3 | 125.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T596 F600 | T596-G598 PolarHBondContact O-N 3.29Å; G598-F600 PolarHBondContact O-N 2.84Å | ||
| 599 | I | 28.8 | Very low | 46.5 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 85% | 0.846 | 62% | 0.619 | S | S | * | * | trans | -68.7 | 96.7 | 171 | -66.5 | 164.1 | 0 | 0 | 0 | 107.1 | ||||
| 600 | F | 33.4 | Very low | 48.1 | Very low | 183 Ų | 183 | 111.9 Ų | 111.9 | 80% | 0.803 | 59% | 0.591 | S | S | * | * | trans | -91.2 | 114.9 | 165.9 | -100.6 | -93.6 | 0 | 0 | 0 | 108.4 | G598 R602 | G598-F600 PolarHBondContact O-N 2.84Å; F600-R602 PolarHBondContact O-N 2.97Å | ||
| 601 | M | 35.1 | Very low | 49.8 | Very low | 165 Ų | 165 | 112.5 Ų | 112.5 | 81% | 0.813 | 58% | 0.576 | S | S | * | * | trans | -66.7 | 118.2 | 170.9 | -73.2 | -114.7 | 160.9 | 0 | 0 | 108.5 | ||||
| 602 | R | 44.8 | Very low | 51.2 | Low | 231 Ų | 231 | 109.5 Ų | 109.5 | 87% | 0.872 | 57% | 0.571 | S | S | * | * | trans | -70.7 | 124.8 | 174.3 | -73.5 | 174.6 | 174.1 | 165.3 | -3.4 | 108.9 | F600 | F600-R602 PolarHBondContact O-N 2.97Š| ||
| 603 | L | 47.6 | Very low | 52.6 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 44% | 0.44 | 54% | 0.536 | S | S | . | . | trans | -102.9 | 114.3 | 167.1 | -107.2 | 73.9 | 0 | 0 | 0 | 108.1 | F605 | L603-F605 PolarHBondContact O-N 3.38Š| ||
| 604 | D | 65.7 | Low | 53.7 | Low | 46 Ų | 46 | 103.5 Ų | 103.5 | 25% | 0.246 | 53% | 0.534 | C | S | . | . | trans | -94.5 | 82.3 | 168.2 | -77.4 | -49.5 | 0 | 0 | 0 | 107.7 | S588 V606 Y607 D608 | S588-D604 WeakPolarHBondContact CB-OD1 3.38Å; S588-D604 PolarHBondContact N-OD1 3.17Å; D604-V606 VanDerWaalsContact C-N 3.27Å; D604-V606 PolarHBondContact O-N 2.89Å; D604-V606 VanDerWaalsContact O-N 3.16Å; D604-Y607 WeakPolarHBondContact O-CA 3.35Å; D604-Y607 VanDerWaalsContact O-CB 3.28Å; D604-Y607 WeakPolarHBondContact O-CB 3.3Å; D604-Y607 PolarHBondContact O-N 2.84Å; D604-D608 PolarHBondContact O-N 2.78Å | ||
| 605 | F | 75.2 | Confident | 54 | Low | 13 Ų | 13 | 94.9 Ų | 94.9 | 6% | 0.057 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -50.6 | -42.1 | -174.9 | -178.7 | -107 | 0 | 0 | 0 | 114.1 | E329 V330 L333 W416 L603 D608 L609 | E329-F605 HydrophobicContact CB-CB 4.06Å; E329-F605 HydrophobicContact CB-CD1 3.9Å; E329-F605 HydrophobicContact CB-CD2 4.07Å; E329-F605 HydrophobicContact CB-CE1 4.34Å; E329-F605 HydrophobicContact CB-CG 3.76Å; E329-F605 HydrophobicContact CG-CB 4.1Å; E329-F605 HydrophobicContact CG-CG 4.33Å; E329-F605 WeakPolarHBondContact OE2-CB 3.43Å; E329-F605 WeakPolarHBondContact OE2-CD2 3.1Å; E329-F605 WeakPolarHBondContact OE2-CG 3.49Å; V330-F605 HydrophobicContact CG2-CE1 4.41Å; V330-F605 HydrophobicContact CG2-CE2 4.49Å; V330-F605 HydrophobicContact CG2-CZ 3.79Å; L333-F605 HydrophobicContact CB-CE1 4.35Å; L333-F605 HydrophobicContact CD1-CD1 4.25Å; L333-F605 HydrophobicContact CD1-CE1 3.85Å; W416-F605 AromaticContact CD2-CE2 3.86Å; W416-F605 HydrophobicContact CD2-CE2 3.86Å; W416-F605 HydrophobicContact CD2-CZ 4.19Å; W416-F605 AromaticContact CE2-CE2 3.63Å; W416-F605 AromaticContact CE3-CE2 3.98Å; W416-F605 HydrophobicContact CE3-CE2 3.98Å; W416-F605 AromaticContact CE3-CZ 4Å; W416-F605 HydrophobicContact CE3-CZ 4Å; W416-F605 AromaticContact CH2-CE2 3.73Å; W416-F605 HydrophobicContact CH2-CE2 3.73Å; W416-F605 HydrophobicContact CH2-CZ 4.35Å; W416-F605 HydrophobicContact CZ2-CD2 4.37Å; W416-F605 AromaticContact CZ2-CE2 3.57Å; W416-F605 HydrophobicContact CZ2-CE2 3.57Å; W416-F605 HydrophobicContact CZ2-CZ 4.49Å; W416-F605 AromaticContact CZ3-CE2 3.92Å; W416-F605 HydrophobicContact CZ3-CE2 3.92Å; W416-F605 HydrophobicContact CZ3-CZ 4.08Å; L603-F605 PolarHBondContact O-N 3.38Å; F605-D608 PolarHBondContact O-N 2.8Å; F605-L609 HydrophobicContact CD1-CD1 4.16Å; F605-L609 HydrophobicContact CE1-CD1 3.8Å; F605-L609 HydrophobicContact CE1-CG 4.5Å; F605-L609 HydrophobicContact CZ-CD1 4.23Å; F605-L609 VanDerWaalsContact O-CG 3.32Å; F605-L609 WeakPolarHBondContact O-CG 3.27Å; F605-L609 PolarHBondContact O-N 2.85Å |
| 606 | V | 77.2 | Confident | 54.9 | Low | 13 Ų | 13 | 89.7 Ų | 89.7 | 8% | 0.079 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -68 | -37.3 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | L333 L409 L583 D604 L609 F610 | L333-V606 HydrophobicContact CD1-CG2 4.47Å; L409-V606 HydrophobicContact CD2-CG1 4.41Å; L583-V606 HydrophobicContact CD2-CG1 4.21Å; D604-V606 VanDerWaalsContact C-N 3.27Å; D604-V606 PolarHBondContact O-N 2.89Å; D604-V606 VanDerWaalsContact O-N 3.16Å; V606-L609 PolarHBondContact O-N 3.26Å; V606-F610 WeakPolarHBondContact O-CD2 3.34Å; V606-F610 PolarHBondContact O-N 2.75Å |
| 607 | Y | 79.1 | Confident | 55.2 | Low | 85 Ų | 85 | 86.4 Ų | 86.4 | 33% | 0.333 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 174.4 | 176 | -89.3 | 0 | 0 | 0 | 111 | R584 D604 L609 F610 E611 | R584-Y607 WeakPolarHBondContact O-CD2 3.21Å; R584-Y607 WeakPolarHBondContact O-CE2 3.48Å; D604-Y607 WeakPolarHBondContact O-CA 3.35Å; D604-Y607 VanDerWaalsContact O-CB 3.28Å; D604-Y607 WeakPolarHBondContact O-CB 3.3Å; D604-Y607 PolarHBondContact O-N 2.84Å; Y607-L609 PolarHBondContact O-N 2.79Å; Y607-F610 CarbonylContact O-C 3.41Å; Y607-F610 PolarHBondContact O-N 2.77Å; Y607-E611 HydrophobicContact CD1-CB 4.46Å; Y607-E611 HydrophobicContact CE1-CB 4.04Å; Y607-E611 HydrophobicContact CE1-CG 3.97Å; Y607-E611 PolarHBondContact O-N 2.95Å |
| 608 | D | 78.8 | Confident | 54.9 | Low | 74 Ų | 74 | 88.9 Ų | 88.9 | 40% | 0.396 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.4 | -33.9 | -179.9 | -70 | -5.5 | 0 | 0 | 0 | 112.2 | D604 F605 F610 | D604-D608 PolarHBondContact O-N 2.78Å; F605-D608 PolarHBondContact O-N 2.8Å; D608-F610 VanDerWaalsContact C-N 3.33Å; D608-F610 PolarHBondContact O-N 3.21Å |
| 609 | L | 78.1 | Confident | 54.8 | Low | 12 Ų | 12 | 92.2 Ų | 92.2 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.1 | -29.9 | 175.5 | -70.1 | 177.6 | 0 | 0 | 0 | 113.3 | L333 Q412 W416 F605 V606 Y607 | L333-L609 HydrophobicContact CD1-CD1 3.46Å; L333-L609 VanDerWaalsContact CD1-CD1 3.46Å; Q412-L609 HydrophobicContact CB-CB 4.15Å; Q412-L609 HydrophobicContact CB-CD2 4.38Å; W416-L609 HydrophobicContact CB-CD2 3.36Å; W416-L609 HydrophobicContact CG-CD2 3.7Å; F605-L609 HydrophobicContact CD1-CD1 4.16Å; F605-L609 HydrophobicContact CE1-CD1 3.8Å; F605-L609 HydrophobicContact CE1-CG 4.5Å; F605-L609 HydrophobicContact CZ-CD1 4.23Å; F605-L609 VanDerWaalsContact O-CG 3.32Å; F605-L609 WeakPolarHBondContact O-CG 3.27Å; F605-L609 PolarHBondContact O-N 2.85Å; V606-L609 PolarHBondContact O-N 3.26Å; Y607-L609 PolarHBondContact O-N 2.79Å |
| 610 | F | 75.9 | Confident | 54.9 | Low | 2 Ų | 2 | 90.4 Ų | 90.4 | 1% | 0.009 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -114.8 | -1.5 | -172.6 | -70.9 | -91.2 | 0 | 0 | 0 | 114.7 | A408 L409 Q412 F575 L580 L583 R584 V606 Y607 D608 H612 V613 | A408-F610 HydrophobicContact CB-CE1 4.36Å; A408-F610 HydrophobicContact CB-CZ 4.39Å; L409-F610 HydrophobicContact CD2-CE2 3.82Å; L409-F610 HydrophobicContact CD2-CZ 4.16Å; Q412-F610 HydrophobicContact CB-CE2 4.28Å; Q412-F610 HydrophobicContact CB-CZ 4.21Å; Q412-F610 HydrophobicContact CG-CD1 4.44Å; Q412-F610 HydrophobicContact CG-CE1 3.88Å; Q412-F610 HydrophobicContact CG-CE2 4.19Å; Q412-F610 HydrophobicContact CG-CZ 3.73Å; F575-F610 HydrophobicContact CE1-CE1 4.46Å; F575-F610 HydrophobicContact CZ-CE1 4.35Å; L580-F610 HydrophobicContact CD1-CB 4.35Å; L580-F610 HydrophobicContact CD1-CD1 3.65Å; L580-F610 HydrophobicContact CD1-CG 4.43Å; L583-F610 HydrophobicContact CB-CD2 4.41Å; L583-F610 HydrophobicContact CB-CG 4.34Å; L583-F610 HydrophobicContact CD1-CD1 4.2Å; L583-F610 HydrophobicContact CD1-CD2 4.37Å; L583-F610 HydrophobicContact CD1-CE1 3.8Å; L583-F610 HydrophobicContact CD1-CE2 4.04Å; L583-F610 HydrophobicContact CD1-CG 4.46Å; L583-F610 HydrophobicContact CD1-CZ 3.72Å; R584-F610 HydrophobicContact CG-CB 4.38Å; R584-F610 PolarHBondContact NE-O 2.86Å; V606-F610 WeakPolarHBondContact O-CD2 3.34Å; V606-F610 PolarHBondContact O-N 2.75Å; Y607-F610 CarbonylContact O-C 3.41Å; Y607-F610 PolarHBondContact O-N 2.77Å; D608-F610 VanDerWaalsContact C-N 3.33Å; D608-F610 PolarHBondContact O-N 3.21Å; F610-H612 PolarHBondContact O-N 2.87Å; F610-V613 HydrophobicContact CB-CG2 4.48Å; F610-V613 HydrophobicContact CD1-CB 4.35Å; F610-V613 HydrophobicContact CD1-CG2 4.06Å; F610-V613 PolarHBondContact O-N 3.2Å |
| 611 | E | 70.9 | Confident | 55 | Low | 84 Ų | 84 | 87.1 Ų | 87.1 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -56 | 179.2 | -177.1 | 177.8 | -157.8 | 0 | 0 | 111.2 | R584 Y607 V613 | R584-E611 PolarHBondContact NH2-O 3.35Å; Y607-E611 HydrophobicContact CD1-CB 4.46Å; Y607-E611 HydrophobicContact CE1-CB 4.04Å; Y607-E611 HydrophobicContact CE1-CG 3.97Å; Y607-E611 PolarHBondContact O-N 2.95Å; E611-V613 PolarHBondContact O-N 3.49Å |
| 612 | H | 59.1 | Low | 54.9 | Low | 160 Ų | 160 | 87.6 Ų | 87.6 | 74% | 0.741 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 2.8 | -177.7 | -63.6 | -48.2 | 0 | 0 | 0 | 114.7 | F610 L614 | F610-H612 PolarHBondContact O-N 2.87Å; H612-L614 PolarHBondContact O-N 3.3Å |
| 613 | V | 59.3 | Low | 54.7 | Low | 25 Ų | 25 | 86.7 Ų | 86.7 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -74.1 | 96.3 | 176.6 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | L580 R584 F610 E611 S615 | L580-V613 HydrophobicContact CD1-CB 4.09Å; L580-V613 HydrophobicContact CD1-CG1 3.8Å; L580-V613 HydrophobicContact CD2-CG1 4.45Å; R584-V613 PolarHBondContact NH2-O 3.44Å; F610-V613 HydrophobicContact CB-CG2 4.48Å; F610-V613 HydrophobicContact CD1-CB 4.35Å; F610-V613 HydrophobicContact CD1-CG2 4.06Å; F610-V613 PolarHBondContact O-N 3.2Å; E611-V613 PolarHBondContact O-N 3.49Å; V613-S615 PolarHBondContact O-N 3.19Å |
| 614 | L | 50.6 | Low | 53.5 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 78% | 0.775 | 45% | 0.445 | S | S | * | . | trans | -48.4 | 131.5 | -178.7 | -67.1 | 169.7 | 0 | 0 | 0 | 111.6 | H612 R616 | H612-L614 PolarHBondContact O-N 3.3Å; L614-R616 PolarHBondContact O-N 2.83Å | ||
| 615 | S | 43 | Very low | 52 | Low | 36 Ų | 36 | 91.1 Ų | 91.1 | 25% | 0.252 | 47% | 0.471 | S | S | . | . | trans | -62.6 | 127.2 | 172 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | D577 V613 | D577-S615 WeakPolarHBondContact OD1-CA 3.27Å; D577-S615 PolarHBondContact OD1-OG 3.17Å; V613-S615 PolarHBondContact O-N 3.19Å | ||
| 616 | R | 49.8 | Very low | 49.9 | Very low | 61 Ų | 61 | 96.7 Ų | 96.7 | 23% | 0.23 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -90 | -6.9 | -165.7 | -68.4 | -179.5 | 173.1 | -173.3 | -2.8 | 113.2 | D573 D577 L614 | D573-R616 PolarHBondContact O-NH1 3.41Å; D573-R616 IonicContact OD2-CZ 3.91Å; D573-R616 IonicContact OD2-NH1 3.93Å; D573-R616 PolarHBondContact OD2-NH1 2.97Å; D573-R616 IonicContact OD2-NH2 3.42Å; D573-R616 PolarHBondContact OD2-NH2 3.28Å; D577-R616 PolarHBondContact OD1-N 2.85Å; L614-R616 PolarHBondContact O-N 2.83Å |
| 617 | N | 37.9 | Very low | 47.9 | Very low | 74 Ų | 74 | 106.2 Ų | 106.2 | 40% | 0.396 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -116.2 | -9 | -178 | -77.3 | -41.1 | 0 | 0 | 0 | 118.4 | D577 Q619 F637 | D577-N617 WeakPolarHBondContact OD2-CB 3.1Å; D577-N617 PolarHBondContact OD2-N 3.4Å; D577-N617 PolarHBondContact OD2-ND2 3.02Å; N617-Q619 PolarHBondContact O-N 2.81Å; N617-Q619 VanDerWaalsContact O-N 3.15Å; N617-F637 WeakPolarHBondContact OD1-CZ 3.44Å |
| 618 | K | 30.8 | Very low | 45.6 | Very low | 150 Ų | 150 | 110.4 Ų | 110.4 | 65% | 0.652 | 57% | 0.569 | S | S | * | * | trans | -91.2 | 78.6 | -172.2 | -76.3 | -174.2 | 178.9 | 176.2 | 0 | 113.7 | ||||
| 619 | Q | 29.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | trans | -160.6 | 67.2 | 154.6 | -115.8 | 173 | 44 | 0 | 0 | 113.9 | N617 T621 V633 Q636 | N617-Q619 PolarHBondContact O-N 2.81Å; N617-Q619 VanDerWaalsContact O-N 3.15Å; Q619-T621 PolarHBondContact O-N 2.86Å; Q619-V633 WeakPolarHBondContact O-CG2 3.49Å; Q619-Q636 VanDerWaalsContact OE1-NE2 3.1Å | ||
| 620 | D | 31 | Very low | 40.8 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | trans | -71.8 | 124.7 | 175.1 | -92 | -28.1 | 0 | 0 | 0 | 114.1 | ||||
| 621 | T | 36.6 | Very low | 38.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | trans | 24.1 | 100.8 | 142.5 | 56.6 | 0 | 0 | 0 | 0 | 119.5 | Q619 | Q619-T621 PolarHBondContact O-N 2.86Š| ||
| 622 | L | 32 | Very low | 36.5 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 92% | 0.921 | 67% | 0.668 | S | S | * | * | trans | -136.9 | 134.5 | 143 | -98 | 116.4 | 0 | 0 | 0 | 111.7 | ||||
| 623 | K | 40.2 | Very low | 35.1 | Very low | 212 Ų | 212 | 127.8 Ų | 127.8 | 92% | 0.922 | 64% | 0.644 | S | S | * | * | trans | -51.7 | 131.3 | -172.6 | -62.9 | 169.9 | 176.8 | 175.5 | 0 | 113.1 | ||||
| 624 | S | 23.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | trans | -156.7 | 121.5 | 146.5 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 625 | S | 34.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 110.5 | 171.7 | 48.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 626 | T | 30.9 | Very low | 32.4 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -174.8 | 151.3 | 152.4 | 19.1 | 0 | 0 | 0 | 0 | 110.8 | H628 | T626-H628 PolarHBondContact O-N 3.33Š|
| 627 | K | 34.5 | Very low | 31.6 | Very low | 214 Ų | 214 | 126.4 Ų | 126.4 | 93% | 0.93 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -63.8 | 31.4 | -160.7 | -72.1 | 176 | 171.9 | 175.6 | 0 | 118.6 | ||
| 628 | H | 30.7 | Very low | 32.1 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 80% | 0.801 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -113.2 | 108.3 | 161.8 | -87.9 | -57.8 | 0 | 0 | 0 | 108.7 | T626 R630 | T626-H628 PolarHBondContact O-N 3.33Å; H628-R630 VanDerWaalsContact C-N 3.33Å; H628-R630 PolarHBondContact O-N 3.15Å |
| 629 | R | 32.3 | Very low | 33.2 | Very low | 259 Ų | 259 | 123.1 Ų | 123.1 | 98% | 0.977 | 62% | 0.624 | S | S | * | * | trans | -60.3 | 96.5 | 171.2 | -78.3 | -176.3 | 175.4 | 176 | -1.9 | 108.4 | ||||
| 630 | R | 25.5 | Very low | 34.6 | Very low | 216 Ų | 216 | 119 Ų | 119 | 82% | 0.815 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 143.8 | 167 | -68.1 | -175.7 | -179.2 | -172.2 | -0.4 | 108.5 | H628 T632 | H628-R630 VanDerWaalsContact C-N 3.33Å; H628-R630 PolarHBondContact O-N 3.15Å; R630-T632 PolarHBondContact O-N 3.09Å; R630-T632 VanDerWaalsContact O-N 3.15Å |
| 631 | P | 28.6 | Very low | 36 | Very low | 95 Ų | 95 | 113 Ų | 113 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118.4 | 178.2 | 21.4 | -29.7 | 0 | 0 | 0 | 109.9 | S635 | P631-S635 WeakPolarHBondContact CA-OG 3.47Å; P631-S635 WeakPolarHBondContact CB-OG 3.49Å |
| 632 | T | 26.6 | Very low | 37.2 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 161.1 | 173.5 | 38.8 | 0 | 0 | 0 | 0 | 110.8 | R630 S634 S635 | R630-T632 PolarHBondContact O-N 3.09Å; R630-T632 VanDerWaalsContact O-N 3.15Å; T632-S634 PolarHBondContact O-N 2.74Å; T632-S634 PolarHBondContact OG1-OG 3.24Å; T632-S635 PolarHBondContact N-OG 3.01Å; T632-S635 WeakPolarHBondContact O-CA 3.29Å; T632-S635 WeakPolarHBondContact O-CB 3.46Å; T632-S635 PolarHBondContact O-N 3.25Å; T632-S635 PolarHBondContact O-OG 3.18Å |
| 633 | V | 29.2 | Very low | 38.8 | Very low | 40 Ų | 40 | 106.9 Ų | 106.9 | 24% | 0.242 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -46.8 | -33.7 | 172.5 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | Q619 Q636 F637 | Q619-V633 WeakPolarHBondContact O-CG2 3.49Å; V633-Q636 PolarHBondContact O-N 3.1Å; V633-F637 HydrophobicContact CG1-CE2 4.46Å; V633-F637 WeakPolarHBondContact O-CD2 3.49Å; V633-F637 WeakPolarHBondContact O-CE2 3.44Å |
| 634 | S | 30.9 | Very low | 40.1 | Very low | 42 Ų | 42 | 97.3 Ų | 97.3 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -70.2 | -30 | 175.8 | 68.6 | 0 | 0 | 0 | 0 | 114.9 | H518 T632 Q636 F637 | H518-S634 PolarHBondContact CE1-O 3.47Å; H518-S634 VanDerWaalsContact CE1-O 3.22Å; T632-S634 PolarHBondContact O-N 2.74Å; T632-S634 PolarHBondContact OG1-OG 3.24Å; S634-Q636 VanDerWaalsContact C-N 3.28Å; S634-Q636 PolarHBondContact O-N 3.08Å; S634-F637 PolarHBondContact O-N 3.27Å |
| 635 | S | 33.2 | Very low | 42.4 | Very low | 63 Ų | 63 | 93.6 Ų | 93.6 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -81.3 | -5.8 | 178.1 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | P631 T632 | P631-S635 WeakPolarHBondContact CA-OG 3.47Å; P631-S635 WeakPolarHBondContact CB-OG 3.49Å; T632-S635 PolarHBondContact N-OG 3.01Å; T632-S635 WeakPolarHBondContact O-CA 3.29Å; T632-S635 WeakPolarHBondContact O-CB 3.46Å; T632-S635 PolarHBondContact O-N 3.25Å; T632-S635 PolarHBondContact O-OG 3.18Å |
| 636 | Q | 32.8 | Very low | 44.3 | Very low | 72 Ų | 72 | 93 Ų | 93 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -90.1 | -17.7 | 171.7 | -62.4 | -179.3 | 9.9 | 0 | 0 | 112.2 | Q619 V633 S634 K638 | Q619-Q636 VanDerWaalsContact OE1-NE2 3.1Å; V633-Q636 PolarHBondContact O-N 3.1Å; S634-Q636 VanDerWaalsContact C-N 3.28Å; S634-Q636 PolarHBondContact O-N 3.08Å; Q636-K638 PolarHBondContact O-N 3.14Å; Q636-K638 VanDerWaalsContact O-N 3.13Å |
| 637 | F | 34.3 | Very low | 46.4 | Very low | 64 Ų | 64 | 87.8 Ų | 87.8 | 28% | 0.281 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -69.4 | 107 | 165.1 | -68.1 | -90.3 | 0 | 0 | 0 | 107.6 | N617 V633 S634 I639 | N617-F637 WeakPolarHBondContact OD1-CZ 3.44Å; V633-F637 HydrophobicContact CG1-CE2 4.46Å; V633-F637 WeakPolarHBondContact O-CD2 3.49Å; V633-F637 WeakPolarHBondContact O-CE2 3.44Å; S634-F637 PolarHBondContact O-N 3.27Å; F637-I639 PolarHBondContact O-N 2.68Å |
| 638 | K | 46.8 | Very low | 48.5 | Very low | 145 Ų | 145 | 77.8 Ų | 77.8 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | trans | -67.3 | 89.8 | 167.4 | -77.9 | -176.8 | 179.2 | 178.7 | 0 | 107.6 | Q636 S640 | Q636-K638 PolarHBondContact O-N 3.14Å; Q636-K638 VanDerWaalsContact O-N 3.13Å; K638-S640 PolarHBondContact O-N 3.23Å | ||
| 639 | I | 55.2 | Low | 50.9 | Low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | trans | -57.1 | 131.4 | 171.3 | -57.2 | 179.4 | 0 | 0 | 0 | 107.7 | N514 N571 F637 T641 T642 Y643 | N514-I639 HydrophobicContact CB-CD1 3.88Å; N514-I639 WeakPolarHBondContact OD1-CG2 3.4Å; N571-I639 WeakPolarHBondContact ND2-CG2 3.44Å; N571-I639 WeakPolarHBondContact O-CG2 3.07Å; N571-I639 WeakPolarHBondContact OD1-CG2 3.44Å; F637-I639 PolarHBondContact O-N 2.68Å; I639-T641 VanDerWaalsContact CG2-OG1 3.23Å; I639-T641 WeakPolarHBondContact CG2-OG1 3.42Å; I639-T641 PolarHBondContact O-N 3.07Å; I639-T642 WeakPolarHBondContact O-CB 3.37Å; I639-T642 PolarHBondContact O-N 3.07Å; I639-Y643 PolarHBondContact O-N 2.97Å; I639-Y643 VanDerWaalsContact O-N 3.08Å | ||
| 640 | S | 58.5 | Low | 53.3 | Low | 39 Ų | 39 | 65.4 Ų | 65.4 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.7 | -41.8 | -173.4 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | N571 K638 Y643 L644 | N571-S640 PolarHBondContact O-N 3.42Å; N571-S640 VanDerWaalsContact O-N 3.15Å; K638-S640 PolarHBondContact O-N 3.23Å; S640-Y643 PolarHBondContact O-N 3.3Å; S640-L644 WeakPolarHBondContact O-CB 3.47Å; S640-L644 PolarHBondContact O-N 2.99Å |
| 641 | T | 59.4 | Low | 56.1 | Low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | F450 L510 N514 N571 I639 L644 Q645 | F450-T641 HydrophobicContact CE2-CG2 3.83Å; F450-T641 HydrophobicContact CZ-CG2 3.74Å; L510-T641 HydrophobicContact CD2-CG2 3.41Å; L510-T641 VanDerWaalsContact CD2-CG2 3.41Å; N514-T641 PolarHBondContact ND2-OG1 3.43Å; N514-T641 PolarHBondContact OD1-OG1 3.47Å; N571-T641 WeakPolarHBondContact OD1-CG2 3.48Å; N571-T641 PolarHBondContact OD1-N 3.44Å; N571-T641 PolarHBondContact OD1-OG1 2.61Å; N571-T641 VanDerWaalsContact OD1-OG1 3.14Å; I639-T641 VanDerWaalsContact CG2-OG1 3.23Å; I639-T641 WeakPolarHBondContact CG2-OG1 3.42Å; I639-T641 PolarHBondContact O-N 3.07Å; T641-L644 PolarHBondContact O-N 2.99Å; T641-Q645 WeakPolarHBondContact O-CB 3.46Å; T641-Q645 VanDerWaalsContact O-CG 3.29Å; T641-Q645 WeakPolarHBondContact O-CG 3.32Å; T641-Q645 PolarHBondContact O-N 3.3Å |
| 642 | T | 61.9 | Low | 58.8 | Low | 48 Ų | 48 | 52.4 Ų | 52.4 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | N514 I639 L644 Q645 D646 | N514-T642 PolarHBondContact ND2-OG1 2.83Å; I639-T642 WeakPolarHBondContact O-CB 3.37Å; I639-T642 PolarHBondContact O-N 3.07Å; T642-L644 VanDerWaalsContact C-N 3.31Å; T642-L644 PolarHBondContact O-N 2.84Å; T642-Q645 PolarHBondContact O-N 2.88Å; T642-D646 PolarHBondContact O-N 3.34Å |
| 643 | Y | 65.6 | Low | 61.7 | Low | 113 Ų | 113 | 50.9 Ų | 50.9 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 174.7 | 175.4 | -99.8 | 0 | 0 | 0 | 111.7 | I639 S640 D646 S647 | I639-Y643 PolarHBondContact O-N 2.97Å; I639-Y643 VanDerWaalsContact O-N 3.08Å; S640-Y643 PolarHBondContact O-N 3.3Å; Y643-D646 PolarHBondContact O-N 2.91Å; Y643-S647 WeakPolarHBondContact O-CB 3.43Å; Y643-S647 PolarHBondContact O-N 2.85Å |
| 644 | L | 67.3 | Low | 64.3 | Low | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 177.3 | -174.4 | 147.9 | 0 | 0 | 0 | 111.6 | I244 N454 Y457 S640 T641 T642 S647 L648 | I244-L644 HydrophobicContact CG2-CD1 3.96Å; N454-L644 HydrophobicContact CB-CD1 3.64Å; Y457-L644 HydrophobicContact CD1-CD2 3.46Å; Y457-L644 VanDerWaalsContact CD1-CD2 3.46Å; Y457-L644 HydrophobicContact CE1-CD2 3.36Å; S640-L644 WeakPolarHBondContact O-CB 3.47Å; S640-L644 PolarHBondContact O-N 2.99Å; T641-L644 PolarHBondContact O-N 2.99Å; T642-L644 VanDerWaalsContact C-N 3.31Å; T642-L644 PolarHBondContact O-N 2.84Å; L644-S647 PolarHBondContact O-N 3.12Å; L644-L648 HydrophobicContact CD2-CD1 3.53Å; L644-L648 HydrophobicContact CD2-CG 4.23Å; L644-L648 HydrophobicContact CG-CD1 4.38Å; L644-L648 WeakPolarHBondContact O-CB 3.29Å; L644-L648 WeakPolarHBondContact O-CG 3.38Å; L644-L648 PolarHBondContact O-N 3.35Å |
| 645 | Q | 72.5 | Confident | 67 | Low | 31 Ų | 31 | 49.3 Ų | 49.3 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 173.7 | -76.9 | 177.5 | -41 | 0 | 0 | 111.6 | Y457 L510 T641 T642 S647 L648 H649 | Y457-Q645 HydrophobicContact CE1-CG 4.47Å; L510-Q645 HydrophobicContact CD1-CG 3.91Å; T641-Q645 WeakPolarHBondContact O-CB 3.46Å; T641-Q645 VanDerWaalsContact O-CG 3.29Å; T641-Q645 WeakPolarHBondContact O-CG 3.32Å; T641-Q645 PolarHBondContact O-N 3.3Å; T642-Q645 PolarHBondContact O-N 2.88Å; Q645-S647 PolarHBondContact O-N 3.47Å; Q645-L648 PolarHBondContact O-N 3.33Å; Q645-H649 WeakPolarHBondContact O-CB 3.37Å; Q645-H649 PolarHBondContact O-N 3.47Å; Q645-H649 PolarHBondContact O-ND1 2.91Å |
| 646 | D | 73.9 | Confident | 69.6 | Low | 100 Ų | 100 | 49.8 Ų | 49.8 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 179.8 | -72.9 | -20.5 | 0 | 0 | 0 | 112.2 | T642 Y643 H649 S650 | T642-D646 PolarHBondContact O-N 3.34Å; Y643-D646 PolarHBondContact O-N 2.91Å; D646-H649 PolarHBondContact O-N 3.25Å; D646-S650 WeakPolarHBondContact O-CB 3.29Å; D646-S650 PolarHBondContact O-N 3.24Å |
| 647 | S | 74.3 | Confident | 72.2 | Confident | 21 Ų | 21 | 51 Ų | 51 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | C243 Y643 L644 Q645 S650 L651 | C243-S647 PolarHBondContact O-OG 2.99Å; Y643-S647 WeakPolarHBondContact O-CB 3.43Å; Y643-S647 PolarHBondContact O-N 2.85Å; L644-S647 PolarHBondContact O-N 3.12Å; Q645-S647 PolarHBondContact O-N 3.47Å; S647-S650 PolarHBondContact O-N 3.48Å; S647-L651 WeakPolarHBondContact O-CB 3.45Å; S647-L651 PolarHBondContact O-N 3.19Å |
| 648 | L | 78.3 | Confident | 74.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.5 | -77 | -179.3 | 0 | 0 | 0 | 111.8 | I244 Y457 A458 L644 Q645 S650 L651 M652 | I244-L648 HydrophobicContact CD1-CD2 3.84Å; I244-L648 HydrophobicContact CG1-CD2 4.45Å; Y457-L648 HydrophobicContact CD1-CD1 4.03Å; Y457-L648 HydrophobicContact CE1-CD1 3.57Å; A458-L648 HydrophobicContact CB-CD1 4Å; A458-L648 HydrophobicContact CB-CD2 4.07Å; L644-L648 HydrophobicContact CD2-CD1 3.53Å; L644-L648 HydrophobicContact CD2-CG 4.23Å; L644-L648 HydrophobicContact CG-CD1 4.38Å; L644-L648 WeakPolarHBondContact O-CB 3.29Å; L644-L648 WeakPolarHBondContact O-CG 3.38Å; L644-L648 PolarHBondContact O-N 3.35Å; Q645-L648 PolarHBondContact O-N 3.33Å; L648-S650 PolarHBondContact O-N 3.12Å; L648-L651 PolarHBondContact O-N 3.42Å; L648-M652 WeakPolarHBondContact O-CB 3.3Å; L648-M652 WeakPolarHBondContact O-CG 3.12Å; L648-M652 PolarHBondContact O-N 3.24Å |
| 649 | H | 81.9 | Confident | 76.9 | Confident | 95 Ų | 95 | 42.8 Ų | 42.8 | 44% | 0.44 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 176 | -74.1 | 159.5 | 0 | 0 | 0 | 112.1 | E501 Q645 D646 M652 A653 | E501-H649 IonicContact OE1-NE2 3.53Å; Q645-H649 WeakPolarHBondContact O-CB 3.37Å; Q645-H649 PolarHBondContact O-N 3.47Å; Q645-H649 PolarHBondContact O-ND1 2.91Å; D646-H649 PolarHBondContact O-N 3.25Å; H649-M652 PolarHBondContact O-N 2.86Å; H649-A653 WeakPolarHBondContact O-CB 3.35Å; H649-A653 PolarHBondContact O-N 3.4Å |
| 650 | S | 82.7 | Confident | 78.6 | Confident | 78 Ų | 78 | 43.5 Ų | 43.5 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.9 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | D646 S647 L648 A653 T654 | D646-S650 WeakPolarHBondContact O-CB 3.29Å; D646-S650 PolarHBondContact O-N 3.24Å; S647-S650 PolarHBondContact O-N 3.48Å; L648-S650 PolarHBondContact O-N 3.12Å; S650-A653 PolarHBondContact O-N 3.22Å; S650-T654 PolarHBondContact O-N 3.34Å; S650-T654 PolarHBondContact O-OG1 3.43Å |
| 651 | L | 83.8 | Confident | 80.3 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -49.5 | 175.3 | 177.8 | 63.1 | 0 | 0 | 0 | 111.1 | F224 C243 L437 S647 L648 A653 T654 L655 | F224-L651 HydrophobicContact CB-CD1 4.35Å; F224-L651 HydrophobicContact CD1-CD1 4.29Å; F224-L651 HydrophobicContact CD2-CD1 3.65Å; F224-L651 HydrophobicContact CE1-CD1 4.47Å; F224-L651 HydrophobicContact CE2-CD1 3.84Å; F224-L651 HydrophobicContact CG-CD1 3.86Å; F224-L651 HydrophobicContact CZ-CD1 4.24Å; C243-L651 HydrophobicContact CB-CD2 4.18Å; L437-L651 HydrophobicContact CD1-CD1 4.22Å; L437-L651 HydrophobicContact CD1-CD2 3.92Å; L437-L651 HydrophobicContact CD2-CD2 4.38Å; S647-L651 WeakPolarHBondContact O-CB 3.45Å; S647-L651 PolarHBondContact O-N 3.19Å; L648-L651 PolarHBondContact O-N 3.42Å; L651-A653 VanDerWaalsContact C-N 3.34Å; L651-A653 PolarHBondContact O-N 3.05Å; L651-T654 WeakPolarHBondContact O-CB 3.24Å; L651-T654 PolarHBondContact O-N 2.82Å; L651-T654 VanDerWaalsContact O-N 3.15Å; L651-L655 HydrophobicContact CD1-CD1 4.23Å; L651-L655 HydrophobicContact CD1-CG 4.29Å; L651-L655 HydrophobicContact CG-CD1 3.95Å; L651-L655 HydrophobicContact CG-CG 4.43Å; L651-L655 VanDerWaalsContact O-CG 3.31Å; L651-L655 WeakPolarHBondContact O-CG 3.43Å; L651-L655 PolarHBondContact O-N 2.94Å |
| 652 | M | 85.7 | Confident | 81.9 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -38.4 | 180 | -67.4 | -62.6 | 168.6 | 0 | 0 | 112.1 | K461 L462 Y465 L648 H649 T654 L655 S656 | K461-M652 HydrophobicContact CB-CE 3.92Å; L462-M652 HydrophobicContact CD2-CE 3.37Å; L462-M652 HydrophobicContact CD2-SD 4.26Å; L462-M652 HydrophobicContact CG-CE 3.61Å; Y465-M652 HydrophobicContact CD2-SD 4.16Å; Y465-M652 HydrophobicContact CG-SD 4.33Å; L648-M652 WeakPolarHBondContact O-CB 3.3Å; L648-M652 WeakPolarHBondContact O-CG 3.12Å; L648-M652 PolarHBondContact O-N 3.24Å; H649-M652 PolarHBondContact O-N 2.86Å; M652-T654 VanDerWaalsContact C-N 3.34Å; M652-T654 PolarHBondContact O-N 3.26Å; M652-L655 PolarHBondContact O-N 3.25Å; M652-L655 HydrophobicContact SD-CD1 4.08Å; M652-S656 WeakPolarHBondContact O-CB 3.32Å; M652-S656 PolarHBondContact O-N 3.16Å; M652-S656 PolarHBondContact O-OG 2.9Å |
| 653 | A | 86.7 | Confident | 83.4 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 45% | 0.446 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H649 S650 L651 L655 S656 T657 | H649-A653 WeakPolarHBondContact O-CB 3.35Å; H649-A653 PolarHBondContact O-N 3.4Å; S650-A653 PolarHBondContact O-N 3.22Å; L651-A653 VanDerWaalsContact C-N 3.34Å; L651-A653 PolarHBondContact O-N 3.05Å; A653-L655 PolarHBondContact O-N 3.13Å; A653-S656 PolarHBondContact O-N 3.29Å; A653-S656 PolarHBondContact O-OG 3.37Å; A653-T657 PolarHBondContact O-N 3.29Å |
| 654 | T | 85.6 | Confident | 84.8 | Confident | 49 Ų | 49 | 35.6 Ų | 35.6 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | F224 S650 L651 M652 S656 T657 S658 | F224-T654 HydrophobicContact CE1-CG2 4.34Å; F224-T654 HydrophobicContact CZ-CG2 4.05Å; S650-T654 PolarHBondContact O-N 3.34Å; S650-T654 PolarHBondContact O-OG1 3.43Å; L651-T654 WeakPolarHBondContact O-CB 3.24Å; L651-T654 PolarHBondContact O-N 2.82Å; L651-T654 VanDerWaalsContact O-N 3.15Å; M652-T654 VanDerWaalsContact C-N 3.34Å; M652-T654 PolarHBondContact O-N 3.26Å; T654-S656 PolarHBondContact O-N 3.24Å; T654-T657 PolarHBondContact O-N 3.39Å; T654-T657 PolarHBondContact O-OG1 3.38Å; T654-S658 PolarHBondContact O-OG 3.42Å |
| 655 | L | 87.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 179.4 | -69.1 | 171 | 0 | 0 | 0 | 112.6 | C152 L154 F224 L437 L462 Y465 L651 M652 A653 T657 S658 | C152-L655 HydrophobicContact CB-CD2 3.92Å; L154-L655 HydrophobicContact CD2-CD1 4.21Å; L154-L655 HydrophobicContact CD2-CD2 4.47Å; F224-L655 HydrophobicContact CE2-CD2 4.01Å; L437-L655 HydrophobicContact CD2-CD1 4.04Å; L462-L655 HydrophobicContact CD2-CD1 4.27Å; Y465-L655 HydrophobicContact CD2-CB 4.48Å; Y465-L655 HydrophobicContact CE2-CB 3.73Å; Y465-L655 PolarHBondContact OH-O 3.32Å; L651-L655 HydrophobicContact CD1-CD1 4.23Å; L651-L655 HydrophobicContact CD1-CG 4.29Å; L651-L655 HydrophobicContact CG-CD1 3.95Å; L651-L655 HydrophobicContact CG-CG 4.43Å; L651-L655 VanDerWaalsContact O-CG 3.31Å; L651-L655 WeakPolarHBondContact O-CG 3.43Å; L651-L655 PolarHBondContact O-N 2.94Å; M652-L655 PolarHBondContact O-N 3.25Å; M652-L655 HydrophobicContact SD-CD1 4.08Å; A653-L655 PolarHBondContact O-N 3.13Å; L655-T657 VanDerWaalsContact C-N 3.27Å; L655-T657 PolarHBondContact O-N 2.83Å; L655-S658 PolarHBondContact O-N 3.19Å; L655-S658 VanDerWaalsContact O-N 3.14Å; L655-S658 VanDerWaalsContact O-O 3.14Å |
| 656 | S | 86.3 | Confident | 87.1 | Confident | 72 Ų | 72 | 34.1 Ų | 34.1 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.6 | -23.1 | -179.7 | 67 | 0 | 0 | 0 | 0 | 114.5 | M652 A653 T654 S658 | M652-S656 WeakPolarHBondContact O-CB 3.32Å; M652-S656 PolarHBondContact O-N 3.16Å; M652-S656 PolarHBondContact O-OG 2.9Å; A653-S656 PolarHBondContact O-N 3.29Å; A653-S656 PolarHBondContact O-OG 3.37Å; T654-S656 PolarHBondContact O-N 3.24Å; S656-S658 VanDerWaalsContact C-N 3.34Å |
| 657 | T | 87.8 | Confident | 88 | Confident | 99 Ų | 99 | 29.6 Ų | 29.6 | 61% | 0.607 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.8 | 174.6 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | A653 T654 L655 | A653-T657 PolarHBondContact O-N 3.29Å; T654-T657 PolarHBondContact O-N 3.39Å; T654-T657 PolarHBondContact O-OG1 3.38Å; L655-T657 VanDerWaalsContact C-N 3.27Å; L655-T657 PolarHBondContact O-N 2.83Å |
| 658 | S | 89.2 | Confident | 88.9 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -103.7 | 154.3 | -176.3 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | N150 T654 L655 S656 P660 | N150-S658 WeakPolarHBondContact O-CA 3.46Å; T654-S658 PolarHBondContact O-OG 3.42Å; L655-S658 PolarHBondContact O-N 3.19Å; L655-S658 VanDerWaalsContact O-N 3.14Å; L655-S658 VanDerWaalsContact O-O 3.14Å; S656-S658 VanDerWaalsContact C-N 3.34Å; S658-P660 WeakPolarHBondContact O-CD 3.38Å |
| 659 | N | 89.9 | Confident | 89.5 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.9 | 174.8 | 175.3 | 72.4 | 0 | 0 | 0 | 110.8 | R147 N150 Q151 C152 | R147-N659 PolarHBondContact NH1-ND2 3.29Å; R147-N659 PolarHBondContact NH1-OD1 3.34Å; N150-N659 PolarHBondContact O-N 3.42Å; Q151-N659 WeakPolarHBondContact CA-O 3.31Å; Q151-N659 PolarHBondContact OE1-ND2 2.88Å; C152-N659 PolarHBondContact N-O 3.26Å |
| 660 | P | 92.2 | Very high | 89.8 | Confident | 24 Ų | 24 | 27 Ų | 27 | 16% | 0.156 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.5 | -173.4 | 33.2 | -34.7 | 0 | 0 | 0 | 114.1 | C152 L154 Y465 S658 F662 | C152-P660 CarbonylContact O-C 3.38Å; C152-P660 WeakPolarHBondContact O-CA 3.18Å; C152-P660 WeakPolarHBondContact SG-CA 3.36Å; L154-P660 HydrophobicContact CD1-CB 3.62Å; Y465-P660 HydrophobicContact CE1-CB 4.21Å; S658-P660 WeakPolarHBondContact O-CD 3.38Å; P660-F662 HydrophobicContact CB-CE1 4.21Å; P660-F662 HydrophobicContact CB-CE2 3.87Å; P660-F662 HydrophobicContact CB-CZ 3.64Å; P660-F662 HydrophobicContact CG-CE2 3.91Å; P660-F662 HydrophobicContact CG-CZ 3.86Å |
| 661 | Y | 93 | Very high | 90 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.6 | 162 | -68.5 | -94.7 | 0 | 0 | 0 | 108.4 | V136 D139 C140 S143 Q151 C152 V153 L154 | V136-Y661 HydrophobicContact CG1-CD1 4.12Å; V136-Y661 HydrophobicContact CG1-CG 4.45Å; D139-Y661 PolarHBondContact OD2-OH 3.07Å; C140-Y661 HydrophobicContact CB-CD2 3.99Å; C140-Y661 HydrophobicContact CB-CE2 3.86Å; C140-Y661 HydrophobicContact CB-CG 4.46Å; S143-Y661 VanDerWaalsContact CB-OH 3.3Å; S143-Y661 WeakPolarHBondContact CB-OH 2.74Å; S143-Y661 PolarHBondContact OG-OH 3.48Å; Q151-Y661 HydrophobicContact CB-CE2 4.38Å; C152-Y661 PolarHBondContact O-N 2.93Å; V153-Y661 CarbonylContact C-O 3.58Å; V153-Y661 WeakPolarHBondContact CA-O 3.37Å; L154-Y661 PolarHBondContact N-O 3.03Å |
| 662 | F | 93.2 | Very high | 90.1 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 4% | 0.044 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.9 | -176.2 | -58.5 | -78.4 | 0 | 0 | 0 | 111.4 | I99 L100 L154 Y465 F466 H469 I470 P660 | I99-F662 HydrophobicContact CG1-CB 4.23Å; I99-F662 HydrophobicContact CG1-CD2 4.48Å; I99-F662 HydrophobicContact CG2-CB 4.15Å; L100-F662 PolarHBondContact N-O 3.34Å; L100-F662 VanDerWaalsContact N-O 3.13Å; L154-F662 HydrophobicContact CB-CD1 3.96Å; L154-F662 HydrophobicContact CB-CE1 4.27Å; L154-F662 HydrophobicContact CD1-CD1 4.32Å; L154-F662 HydrophobicContact CD1-CE1 4.01Å; L154-F662 HydrophobicContact CD2-CE1 4.22Å; L154-F662 HydrophobicContact CG-CE1 4.41Å; Y465-F662 HydrophobicContact CD1-CE1 4.24Å; Y465-F662 HydrophobicContact CD1-CZ 4.44Å; Y465-F662 HydrophobicContact CE1-CE1 4.1Å; Y465-F662 HydrophobicContact CE1-CZ 4.08Å; F466-F662 HydrophobicContact CB-CE1 4.31Å; F466-F662 HydrophobicContact CD2-CB 4.35Å; F466-F662 AromaticContact CD2-CD1 3.55Å; F466-F662 HydrophobicContact CD2-CD1 3.55Å; F466-F662 HydrophobicContact CD2-CD2 4.17Å; F466-F662 AromaticContact CD2-CE1 3.72Å; F466-F662 HydrophobicContact CD2-CE1 3.72Å; F466-F662 HydrophobicContact CD2-CE2 4.33Å; F466-F662 AromaticContact CD2-CG 3.76Å; F466-F662 HydrophobicContact CD2-CG 3.76Å; F466-F662 HydrophobicContact CD2-CZ 4.11Å; F466-F662 HydrophobicContact CE2-CB 4.12Å; F466-F662 HydrophobicContact CE2-CD1 4.16Å; F466-F662 HydrophobicContact CE2-CD2 4.2Å; F466-F662 AromaticContact CE2-CG 3.9Å; F466-F662 HydrophobicContact CE2-CG 3.9Å; F466-F662 HydrophobicContact CG-CE1 4.49Å; H469-F662 HydrophobicContact CB-CE2 4.42Å; H469-F662 HydrophobicContact CB-CZ 4.07Å; I470-F662 HydrophobicContact CD1-CD2 3.81Å; I470-F662 HydrophobicContact CD1-CE2 3.61Å; I470-F662 HydrophobicContact CG1-CD2 4.41Å; I470-F662 HydrophobicContact CG1-CE2 4.09Å; P660-F662 HydrophobicContact CB-CE1 4.21Å; P660-F662 HydrophobicContact CB-CE2 3.87Å; P660-F662 HydrophobicContact CB-CZ 3.64Å; P660-F662 HydrophobicContact CG-CE2 3.91Å; P660-F662 HydrophobicContact CG-CZ 3.86Å |
| 663 | I | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.7 | 171.1 | -57.1 | 176.4 | 0 | 0 | 0 | 107.7 | L100 I133 V153 L154 I155 S156 I170 | L100-I663 HydrophobicContact CB-CG1 4.33Å; L100-I663 HydrophobicContact CD2-CG2 4.41Å; L100-I663 CarbonylContact O-C 3.5Å; L100-I663 WeakPolarHBondContact O-CA 3.15Å; I133-I663 HydrophobicContact CD1-CD1 4.13Å; I133-I663 HydrophobicContact CG1-CD1 4.03Å; V153-I663 HydrophobicContact CG1-CD1 3.73Å; V153-I663 HydrophobicContact CG1-CG1 4.18Å; L154-I663 PolarHBondContact O-N 3.1Å; I155-I663 HydrophobicContact CG1-CB 4.31Å; I155-I663 HydrophobicContact CG1-CD1 4.31Å; I155-I663 HydrophobicContact CG2-CB 4.39Å; I155-I663 HydrophobicContact CG2-CG2 4.39Å; S156-I663 PolarHBondContact N-O 3.45Å; S156-I663 PolarHBondContact OG-O 3.11Å; I170-I663 HydrophobicContact CD1-CD1 3.7Å |
| 664 | R | 93.7 | Very high | 90.3 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 103.7 | 177.5 | -63.5 | -52.3 | -162.2 | 156.4 | 6.1 | 109 | I99 L100 A101 A102 S156 Q463 M691 | I99-R664 HydrophobicContact CG2-CG 4.36Å; L100-R664 PolarHBondContact O-N 3.35Å; A101-R664 CarbonylContact C-O 3.57Å; A101-R664 WeakPolarHBondContact CA-O 3.45Å; A102-R664 PolarHBondContact N-O 3.09Å; S156-R664 WeakPolarHBondContact OG-CD 3.44Å; S156-R664 PolarHBondContact OG-NE 3.07Å; S156-R664 PolarHBondContact OG-NH1 3.41Å; Q463-R664 VanDerWaalsContact OE1-NH1 3.12Å; R664-M691 HydrophobicContact CB-CE 4.44Å; R664-M691 HydrophobicContact CB-SD 4.26Å; R664-M691 HydrophobicContact CG-SD 3.89Å |
| 665 | C | 94.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 132.5 | 174 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | A102 S156 G157 A161 K163 | A102-C665 CarbonylContact O-C 3.58Å; A102-C665 VanDerWaalsContact O-CA 3.3Å; A102-C665 WeakPolarHBondContact O-CA 3.35Å; S156-C665 WeakPolarHBondContact O-CB 3.46Å; S156-C665 PolarHBondContact O-N 3.37Å; G157-C665 WeakPolarHBondContact CA-O 3.39Å; A161-C665 HydrophobicContact CB-CB 3.7Å; A161-C665 WeakPolarHBondContact O-CB 3.34Å; K163-C665 HydrophobicContact CG-CB 4.23Å |
| 666 | I | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.1 | -176.5 | -59.9 | 174.7 | 0 | 0 | 0 | 109.2 | L83 A102 V103 N104 V682 L686 | L83-I666 HydrophobicContact CD1-CD1 3.7Å; A102-I666 PolarHBondContact O-N 3.29Å; V103-I666 HydrophobicContact CG2-CB 4.29Å; N104-I666 PolarHBondContact N-O 3.44Å; I666-V682 HydrophobicContact CG2-CB 4.47Å; I666-V682 HydrophobicContact CG2-CG1 3.91Å; I666-V682 HydrophobicContact CG2-CG2 4.08Å; I666-L686 HydrophobicContact CD1-CD2 3.92Å |
| 667 | K | 92.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | trans | -88.5 | 120.3 | 175.5 | -173.9 | 178 | -179.5 | 178.7 | 0 | 109.8 | A161 N669 Q685 | A161-K667 HydrophobicContact CB-CB 4.39Å; K667-N669 WeakPolarHBondContact CE-O 3.46Å; K667-N669 WeakPolarHBondContact CG-O 3.25Å; K667-Q685 PolarHBondContact O-NE2 3.25Å | ||
| 668 | P | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -79 | -25.6 | -175.2 | 34.3 | -40.9 | 0 | 0 | 0 | 113.7 | Y87 V103 N104 Y106 F677 D678 | Y87-P668 HydrophobicContact CE2-CB 4.45Å; V103-P668 HydrophobicContact CG1-CB 3.98Å; V103-P668 HydrophobicContact CG1-CG 4.48Å; N104-P668 VanDerWaalsContact O-CG 3.23Å; N104-P668 WeakPolarHBondContact O-CG 3.46Å; Y106-P668 HydrophobicContact CD2-CG 3.86Å; Y106-P668 HydrophobicContact CE2-CG 3.67Å; P668-F677 HydrophobicContact CB-CD2 4.26Å; P668-D678 PolarHBondContact O-N 3.19Å | ||
| 669 | N | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -158.5 | 161.8 | -179.4 | 63.9 | 77.4 | 0 | 0 | 0 | 111.2 | K667 H671 K672 M673 Q676 | K667-N669 WeakPolarHBondContact CE-O 3.46Å; K667-N669 WeakPolarHBondContact CG-O 3.25Å; N669-H671 PolarHBondContact OD1-N 2.92Å; N669-H671 VanDerWaalsContact OD1-N 3.17Å; N669-K672 PolarHBondContact OD1-N 3.16Å; N669-M673 PolarHBondContact ND2-O 3.32Å; N669-M673 PolarHBondContact OD1-N 2.82Å; N669-Q676 HydrophobicContact CB-CG 4.27Å; N669-Q676 PolarHBondContact ND2-O 3.23Å | ||
| 670 | T | 87.5 | Confident | 91.1 | Very high | 66 Ų | 66 | 40 Ų | 40 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -84.7 | -17.9 | 177.8 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | K672 V681 | T670-K672 PolarHBondContact O-N 3.49Å; T670-V681 HydrophobicContact CG2-CG2 4.28Å |
| 671 | H | 86.5 | Confident | 91 | Very high | 125 Ų | 125 | 40 Ų | 40 | 58% | 0.579 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -84.4 | -2.1 | -173.9 | -58.8 | -67.6 | 0 | 0 | 0 | 114.9 | N669 M673 | N669-H671 PolarHBondContact OD1-N 2.92Å; N669-H671 VanDerWaalsContact OD1-N 3.17Å; H671-M673 VanDerWaalsContact C-N 3.26Å; H671-M673 HydrophobicContact CB-CG 3.91Å; H671-M673 PolarHBondContact O-N 3.39Å |
| 672 | K | 85.4 | Confident | 91 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 26% | 0.261 | 21% | 0.205 | S | C | . | . | trans | 62 | 31.3 | -178 | -50.5 | 169.2 | -178.3 | 168.7 | 0 | 113 | Y106 V213 Y214 N216 N669 T670 | Y106-K672 HydrophobicContact CD1-CB 4.4Å; Y106-K672 HydrophobicContact CE1-CB 4.12Å; Y106-K672 HydrophobicContact CE1-CG 4.44Å; V213-K672 VanDerWaalsContact O-CE 3.23Å; V213-K672 WeakPolarHBondContact O-CE 3.32Å; V213-K672 PolarHBondContact O-NZ 3.48Å; Y214-K672 WeakPolarHBondContact O-CE 3.42Å; N216-K672 PolarHBondContact OD1-NZ 2.8Å; N669-K672 PolarHBondContact OD1-N 3.16Å; T670-K672 PolarHBondContact O-N 3.49Å | ||
| 673 | M | 87.2 | Confident | 90.8 | Very high | 97 Ų | 97 | 39.3 Ų | 39.3 | 48% | 0.478 | 20% | 0.204 | S | C | . | . | trans | -97.5 | 138.5 | -176.1 | -67.5 | -61.7 | -69.6 | 0 | 0 | 111.7 | Y106 N669 H671 Q676 | Y106-M673 WeakPolarHBondContact CD2-O 3.4Å; N669-M673 PolarHBondContact ND2-O 3.32Å; N669-M673 PolarHBondContact OD1-N 2.82Å; H671-M673 VanDerWaalsContact C-N 3.26Å; H671-M673 HydrophobicContact CB-CG 3.91Å; H671-M673 PolarHBondContact O-N 3.39Å; M673-Q676 HydrophobicContact CB-CB 4.18Å | ||
| 674 | P | 90.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 156.5 | 169.5 | 31.9 | -34.7 | 0 | 0 | 0 | 110.9 | Q107 Q676 | Q107-P674 HydrophobicContact CB-CB 4Å; Q107-P674 HydrophobicContact CG-CB 4.09Å; P674-Q676 PolarHBondContact O-N 2.91Å |
| 675 | D | 88.9 | Confident | 90.5 | Very high | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 11.9 | 175.5 | -59.2 | -39.5 | 0 | 0 | 0 | 115.5 | R90 Q107 | R90-D675 IonicContact NH2-OD2 2.73Å; Q107-D675 PolarHBondContact NE2-OD1 3.15Å; Q107-D675 PolarHBondContact NE2-OD2 2.71Å |
| 676 | Q | 91.6 | Very high | 90.3 | Very high | 78 Ų | 78 | 42.9 Ų | 42.9 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | trans | -107.9 | 123.4 | 174.5 | -174.7 | -179.4 | 10.5 | 0 | 0 | 110.5 | N669 M673 P674 | N669-Q676 HydrophobicContact CB-CG 4.27Å; N669-Q676 PolarHBondContact ND2-O 3.23Å; M673-Q676 HydrophobicContact CB-CB 4.18Å; P674-Q676 PolarHBondContact O-N 2.91Å | ||
| 677 | F | 91.7 | Very high | 90 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | trans | -122.5 | 107.5 | 178.4 | -169.9 | -77.3 | 0 | 0 | 0 | 110.2 | M80 L83 Y84 Y87 V103 P668 Q679 V682 | M80-F677 HydrophobicContact CG-CE1 4.2Å; M80-F677 HydrophobicContact CG-CZ 4.48Å; L83-F677 HydrophobicContact CB-CZ 4.47Å; Y84-F677 HydrophobicContact CD2-CB 3.89Å; Y84-F677 AromaticContact CD2-CD1 3.57Å; Y84-F677 HydrophobicContact CD2-CD1 3.57Å; Y84-F677 HydrophobicContact CD2-CD2 4.37Å; Y84-F677 HydrophobicContact CD2-CE1 4.09Å; Y84-F677 AromaticContact CD2-CG 3.71Å; Y84-F677 HydrophobicContact CD2-CG 3.71Å; Y84-F677 HydrophobicContact CE2-CB 4.11Å; Y84-F677 HydrophobicContact CE2-CD1 4.33Å; Y84-F677 HydrophobicContact CE2-CG 4.4Å; Y84-F677 HydrophobicContact CG-CD1 4.42Å; Y87-F677 HydrophobicContact CD1-CB 4.07Å; Y87-F677 AromaticContact CD1-CD2 3.84Å; Y87-F677 HydrophobicContact CD1-CD2 3.84Å; Y87-F677 HydrophobicContact CD1-CG 4.43Å; Y87-F677 HydrophobicContact CE1-CB 4.22Å; Y87-F677 HydrophobicContact CE1-CD2 4.39Å; Y87-F677 AromaticContact CG-CD2 3.99Å; Y87-F677 HydrophobicContact CG-CD2 3.99Å; V103-F677 HydrophobicContact CG1-CE2 4.4Å; P668-F677 HydrophobicContact CB-CD2 4.26Å; F677-Q679 HydrophobicContact CD1-CG 4.5Å; F677-V682 HydrophobicContact CD1-CG2 4.35Å; F677-V682 HydrophobicContact CD2-CG2 4.4Å; F677-V682 HydrophobicContact CE1-CB 3.92Å; F677-V682 HydrophobicContact CE1-CG1 4.17Å; F677-V682 HydrophobicContact CE1-CG2 3.87Å; F677-V682 HydrophobicContact CE2-CG1 4.33Å; F677-V682 HydrophobicContact CE2-CG2 3.93Å; F677-V682 HydrophobicContact CZ-CB 3.81Å; F677-V682 HydrophobicContact CZ-CG1 3.61Å; F677-V682 HydrophobicContact CZ-CG2 3.67Å | ||
| 678 | D | 92.4 | Very high | 89.5 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | trans | -87.5 | 112.7 | 175.1 | -174 | -17.3 | 0 | 0 | 0 | 109.6 | P668 T680 V681 V682 | P668-D678 PolarHBondContact O-N 3.19Å; D678-T680 VanDerWaalsContact C-N 3.29Å; D678-T680 PolarHBondContact O-N 2.94Å; D678-T680 PolarHBondContact OD1-N 2.85Å; D678-T680 PolarHBondContact OD1-OG1 2.8Å; D678-V681 HydrophobicContact CB-CB 4.09Å; D678-V681 HydrophobicContact CB-CG2 4.05Å; D678-V681 PolarHBondContact O-N 2.87Å; D678-V681 WeakPolarHBondContact OD2-CG2 3.36Å; D678-V682 WeakPolarHBondContact O-CG2 3.48Å; D678-V682 PolarHBondContact O-N 2.98Å; D678-V682 VanDerWaalsContact O-N 3.08Å | ||
| 679 | Q | 89.3 | Confident | 89.1 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -38.4 | -177.3 | -66.8 | 148.1 | 47.2 | 0 | 0 | 111.9 | Y38 M80 F677 V682 L683 | Y38-Q679 HydrophobicContact CD1-CG 4Å; Y38-Q679 VanDerWaalsContact CD2-CD 3.42Å; Y38-Q679 HydrophobicContact CD2-CG 4.37Å; Y38-Q679 HydrophobicContact CE1-CG 3.86Å; Y38-Q679 HydrophobicContact CE2-CG 4.2Å; Y38-Q679 HydrophobicContact CG-CG 4.26Å; M80-Q679 HydrophobicContact CE-CB 4.06Å; M80-Q679 HydrophobicContact CE-CG 4.11Å; M80-Q679 HydrophobicContact SD-CB 3.82Å; M80-Q679 HydrophobicContact SD-CG 4.24Å; F677-Q679 HydrophobicContact CD1-CG 4.5Å; Q679-V682 PolarHBondContact O-N 3.41Å; Q679-L683 WeakPolarHBondContact O-CB 3.46Å; Q679-L683 PolarHBondContact O-N 2.81Å |
| 680 | T | 89.3 | Confident | 88.8 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.6 | -43.5 | -176 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | D678 N684 | D678-T680 VanDerWaalsContact C-N 3.29Å; D678-T680 PolarHBondContact O-N 2.94Å; D678-T680 PolarHBondContact OD1-N 2.85Å; D678-T680 PolarHBondContact OD1-OG1 2.8Å; T680-N684 WeakPolarHBondContact O-CB 3.45Å; T680-N684 PolarHBondContact O-N 3.2Å; T680-N684 PolarHBondContact O-ND2 2.73Å |
| 681 | V | 90.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111 | T670 D678 Q685 | T670-V681 HydrophobicContact CG2-CG2 4.28Å; D678-V681 HydrophobicContact CB-CB 4.09Å; D678-V681 HydrophobicContact CB-CG2 4.05Å; D678-V681 PolarHBondContact O-N 2.87Å; D678-V681 WeakPolarHBondContact OD2-CG2 3.36Å; V681-Q685 WeakPolarHBondContact O-CG 3.5Å; V681-Q685 PolarHBondContact O-N 2.87Å; V681-Q685 PolarHBondContact O-NE2 2.88Å |
| 682 | V | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.5 | -41.1 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | I666 F677 D678 Q679 N684 Q685 L686 | I666-V682 HydrophobicContact CG2-CB 4.47Å; I666-V682 HydrophobicContact CG2-CG1 3.91Å; I666-V682 HydrophobicContact CG2-CG2 4.08Å; F677-V682 HydrophobicContact CD1-CG2 4.35Å; F677-V682 HydrophobicContact CD2-CG2 4.4Å; F677-V682 HydrophobicContact CE1-CB 3.92Å; F677-V682 HydrophobicContact CE1-CG1 4.17Å; F677-V682 HydrophobicContact CE1-CG2 3.87Å; F677-V682 HydrophobicContact CE2-CG1 4.33Å; F677-V682 HydrophobicContact CE2-CG2 3.93Å; F677-V682 HydrophobicContact CZ-CB 3.81Å; F677-V682 HydrophobicContact CZ-CG1 3.61Å; F677-V682 HydrophobicContact CZ-CG2 3.67Å; D678-V682 WeakPolarHBondContact O-CG2 3.48Å; D678-V682 PolarHBondContact O-N 2.98Å; D678-V682 VanDerWaalsContact O-N 3.08Å; Q679-V682 PolarHBondContact O-N 3.41Å; V682-N684 VanDerWaalsContact C-N 3.34Å; V682-N684 PolarHBondContact O-N 3.31Å; V682-Q685 WeakPolarHBondContact O-CB 3.3Å; V682-Q685 PolarHBondContact O-N 2.85Å; V682-L686 HydrophobicContact CG1-CD1 4.15Å; V682-L686 HydrophobicContact CG1-CG 4.26Å; V682-L686 WeakPolarHBondContact O-CG 3.3Å; V682-L686 PolarHBondContact O-N 3.39Å |
| 683 | L | 90.3 | Very high | 89 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 178.7 | -173.5 | 65 | 0 | 0 | 0 | 111.9 | Q18 D76 M80 Q679 Q685 L686 R687 | Q18-L683 HydrophobicContact CG-CD2 4.11Å; D76-L683 HydrophobicContact CB-CD1 3.62Å; M80-L683 HydrophobicContact SD-CB 3.86Å; M80-L683 HydrophobicContact SD-CD1 4.16Å; M80-L683 HydrophobicContact SD-CG 4.47Å; Q679-L683 WeakPolarHBondContact O-CB 3.46Å; Q679-L683 PolarHBondContact O-N 2.81Å; L683-Q685 VanDerWaalsContact C-N 3.33Å; L683-Q685 PolarHBondContact O-N 3.34Å; L683-L686 PolarHBondContact O-N 3.26Å; L683-R687 WeakPolarHBondContact O-CG 3.46Å; L683-R687 PolarHBondContact O-N 3.43Å |
| 684 | N | 89.5 | Confident | 89 | Confident | 88 Ų | 88 | 34.4 Ų | 34.4 | 47% | 0.471 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.3 | -72.5 | -19.1 | 0 | 0 | 0 | 110.9 | T680 V682 L686 R687 Y688 | T680-N684 WeakPolarHBondContact O-CB 3.45Å; T680-N684 PolarHBondContact O-N 3.2Å; T680-N684 PolarHBondContact O-ND2 2.73Å; V682-N684 VanDerWaalsContact C-N 3.34Å; V682-N684 PolarHBondContact O-N 3.31Å; N684-L686 VanDerWaalsContact C-N 3.35Å; N684-L686 PolarHBondContact O-N 2.82Å; N684-R687 PolarHBondContact O-N 3.2Å; N684-Y688 WeakPolarHBondContact O-CD1 3.2Å; N684-Y688 PolarHBondContact O-N 3.12Å; N684-Y688 VanDerWaalsContact O-N 3.07Å |
| 685 | Q | 91.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 174.9 | -71.2 | 171.8 | 84.2 | 0 | 0 | 112.9 | E158 K667 V681 V682 L683 R687 Y688 S689 | E158-Q685 HydrophobicContact CG-CG 4.33Å; K667-Q685 PolarHBondContact O-NE2 3.25Å; V681-Q685 WeakPolarHBondContact O-CG 3.5Å; V681-Q685 PolarHBondContact O-N 2.87Å; V681-Q685 PolarHBondContact O-NE2 2.88Å; V682-Q685 WeakPolarHBondContact O-CB 3.3Å; V682-Q685 PolarHBondContact O-N 2.85Å; L683-Q685 VanDerWaalsContact C-N 3.33Å; L683-Q685 PolarHBondContact O-N 3.34Å; Q685-R687 PolarHBondContact O-N 3.3Å; Q685-Y688 HydrophobicContact CB-CE1 4.2Å; Q685-Y688 HydrophobicContact CG-CE1 3.95Å; Q685-Y688 WeakPolarHBondContact CG-OH 3.41Å; Q685-S689 VanDerWaalsContact O-CB 3.24Å; Q685-S689 WeakPolarHBondContact O-CB 3.34Å; Q685-S689 PolarHBondContact O-N 3.42Å; Q685-S689 VanDerWaalsContact O-N 3.15Å; Q685-S689 PolarHBondContact O-OG 3.17Å |
| 686 | L | 90.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 179.2 | -66.9 | 175.5 | 0 | 0 | 0 | 112.5 | I79 M80 L83 I666 V682 L683 N684 S689 G690 M691 | I79-L686 HydrophobicContact CB-CD1 4.5Å; I79-L686 HydrophobicContact CG2-CD1 3.89Å; I79-L686 HydrophobicContact CG2-CD2 4.06Å; M80-L686 HydrophobicContact CB-CD1 3.9Å; L83-L686 HydrophobicContact CD1-CD1 4.3Å; L83-L686 HydrophobicContact CD1-CD2 3.9Å; I666-L686 HydrophobicContact CD1-CD2 3.92Å; V682-L686 HydrophobicContact CG1-CD1 4.15Å; V682-L686 HydrophobicContact CG1-CG 4.26Å; V682-L686 WeakPolarHBondContact O-CG 3.3Å; V682-L686 PolarHBondContact O-N 3.39Å; L683-L686 PolarHBondContact O-N 3.26Å; N684-L686 VanDerWaalsContact C-N 3.35Å; N684-L686 PolarHBondContact O-N 2.82Å; L686-S689 PolarHBondContact O-OG 3.42Å; L686-G690 PolarHBondContact O-N 3Å; L686-M691 HydrophobicContact CB-CB 4.37Å; L686-M691 HydrophobicContact CD2-CB 3.91Å; L686-M691 HydrophobicContact CD2-CE 4.09Å; L686-M691 HydrophobicContact CD2-CG 3.9Å; L686-M691 WeakPolarHBondContact O-CB 3.44Å; L686-M691 PolarHBondContact O-N 3.29Å |
| 687 | R | 87 | Confident | 88.5 | Confident | 75 Ų | 75 | 27.3 Ų | 27.3 | 28% | 0.283 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66.9 | -57.2 | -179.8 | -76.2 | 174.2 | 170.2 | 174.7 | -5.1 | 111.7 | D76 M491 L683 N684 Q685 S689 G690 | D76-R687 IonicContact OD2-CZ 3.9Å; D76-R687 IonicContact OD2-NE 2.93Å; D76-R687 PolarHBondContact OD2-NE 3.02Å; D76-R687 VanDerWaalsContact OD2-NE 3.11Å; D76-R687 IonicContact OD2-NH2 2.66Å; M491-R687 WeakPolarHBondContact CE-O 3.11Å; L683-R687 WeakPolarHBondContact O-CG 3.46Å; L683-R687 PolarHBondContact O-N 3.43Å; N684-R687 PolarHBondContact O-N 3.2Å; Q685-R687 PolarHBondContact O-N 3.3Å; R687-S689 VanDerWaalsContact C-N 3.28Å; R687-S689 PolarHBondContact O-N 3.45Å; R687-G690 PolarHBondContact O-N 3.06Å; R687-G690 VanDerWaalsContact O-N 3.13Å |
| 688 | Y | 83.7 | Confident | 88.1 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 13% | 0.125 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.8 | -26.7 | -174.4 | 70.5 | -119.5 | 0 | 0 | 0 | 112.9 | E158 Y556 A557 N684 Q685 G690 | E158-Y688 VanDerWaalsContact CD-OH 3.28Å; E158-Y688 WeakPolarHBondContact CG-OH 3.4Å; E158-Y688 PolarHBondContact OE1-OH 2.85Å; Y556-Y688 AromaticContact CD2-CD2 3.74Å; Y556-Y688 HydrophobicContact CD2-CD2 3.74Å; Y556-Y688 HydrophobicContact CD2-CE2 4.44Å; Y556-Y688 WeakPolarHBondContact CD2-O 3.43Å; Y556-Y688 AromaticContact CE2-CD2 3.54Å; Y556-Y688 HydrophobicContact CE2-CD2 3.54Å; Y556-Y688 AromaticContact CE2-CE2 3.8Å; Y556-Y688 HydrophobicContact CE2-CE2 3.8Å; Y556-Y688 VanDerWaalsContact O-CB 3.24Å; Y556-Y688 WeakPolarHBondContact O-CB 3Å; A557-Y688 HydrophobicContact CB-CD1 4.13Å; A557-Y688 HydrophobicContact CB-CD2 3.75Å; A557-Y688 HydrophobicContact CB-CE1 4.18Å; A557-Y688 HydrophobicContact CB-CE2 3.86Å; A557-Y688 HydrophobicContact CB-CG 3.95Å; N684-Y688 WeakPolarHBondContact O-CD1 3.2Å; N684-Y688 PolarHBondContact O-N 3.12Å; N684-Y688 VanDerWaalsContact O-N 3.07Å; Q685-Y688 HydrophobicContact CB-CE1 4.2Å; Q685-Y688 HydrophobicContact CG-CE1 3.95Å; Q685-Y688 WeakPolarHBondContact CG-OH 3.41Å; Y688-G690 PolarHBondContact O-N 2.97Å |
| 689 | S | 85.1 | Confident | 87.6 | Confident | 14 Ų | 14 | 29.9 Ų | 29.9 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.1 | 176.3 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | Q463 Q685 L686 R687 M691 | Q463-S689 PolarHBondContact NE2-O 3.07Å; Q685-S689 VanDerWaalsContact O-CB 3.24Å; Q685-S689 WeakPolarHBondContact O-CB 3.34Å; Q685-S689 PolarHBondContact O-N 3.42Å; Q685-S689 VanDerWaalsContact O-N 3.15Å; Q685-S689 PolarHBondContact O-OG 3.17Å; L686-S689 PolarHBondContact O-OG 3.42Å; R687-S689 VanDerWaalsContact C-N 3.28Å; R687-S689 PolarHBondContact O-N 3.45Å; S689-M691 WeakPolarHBondContact OG-CG 3.44Å |
| 690 | G | 84.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 7% | 0.072 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 33.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L686 R687 Y688 L692 E693 T694 | L686-G690 PolarHBondContact O-N 3Å; R687-G690 PolarHBondContact O-N 3.06Å; R687-G690 VanDerWaalsContact O-N 3.13Å; Y688-G690 PolarHBondContact O-N 2.97Å; G690-L692 VanDerWaalsContact C-N 3.34Å; G690-L692 PolarHBondContact O-N 2.91Å; G690-E693 WeakPolarHBondContact CA-OE2 3.47Å; G690-E693 PolarHBondContact O-N 2.77Å; G690-T694 WeakPolarHBondContact O-CB 3.45Å; G690-T694 PolarHBondContact O-N 2.87Å; G690-T694 PolarHBondContact O-OG1 3.2Å |
| 691 | M | 87.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.4 | -34.1 | -174.3 | -73.1 | -77.7 | -80.4 | 0 | 0 | 112.1 | M68 I96 A101 R664 L686 S689 T694 V695 | M68-M691 HydrophobicContact CE-CE 4.29Å; I96-M691 HydrophobicContact CD1-CE 3.24Å; I96-M691 HydrophobicContact CD1-SD 3.77Å; A101-M691 HydrophobicContact CB-CE 4.04Å; R664-M691 HydrophobicContact CB-CE 4.44Å; R664-M691 HydrophobicContact CB-SD 4.26Å; R664-M691 HydrophobicContact CG-SD 3.89Å; L686-M691 HydrophobicContact CB-CB 4.37Å; L686-M691 HydrophobicContact CD2-CB 3.91Å; L686-M691 HydrophobicContact CD2-CE 4.09Å; L686-M691 HydrophobicContact CD2-CG 3.9Å; L686-M691 WeakPolarHBondContact O-CB 3.44Å; L686-M691 PolarHBondContact O-N 3.29Å; S689-M691 WeakPolarHBondContact OG-CG 3.44Å; M691-T694 PolarHBondContact O-N 2.88Å; M691-V695 VanDerWaalsContact O-CG2 3.28Å; M691-V695 WeakPolarHBondContact O-CG2 3.42Å; M691-V695 PolarHBondContact O-N 2.87Å |
| 692 | L | 87.7 | Confident | 85.6 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 9% | 0.089 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -48.3 | 175.4 | 178.1 | 63.3 | 0 | 0 | 0 | 111.3 | D76 I79 G690 T694 V695 K696 | D76-L692 WeakPolarHBondContact OD1-CB 3.16Å; D76-L692 WeakPolarHBondContact OD1-CD2 3.09Å; I79-L692 HydrophobicContact CD1-CB 4.15Å; I79-L692 HydrophobicContact CD1-CD1 3.79Å; G690-L692 VanDerWaalsContact C-N 3.34Å; G690-L692 PolarHBondContact O-N 2.91Å; L692-T694 VanDerWaalsContact C-N 3.28Å; L692-T694 PolarHBondContact O-N 3.4Å; L692-V695 PolarHBondContact O-N 3.07Å; L692-K696 HydrophobicContact CG-CD 4.34Å; L692-K696 WeakPolarHBondContact O-CG 3.23Å; L692-K696 PolarHBondContact O-N 3.05Å |
| 693 | E | 87 | Confident | 84.4 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 16% | 0.164 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.6 | -67.3 | 61.8 | -132.4 | 0 | 0 | 110.3 | F471 W490 G690 K696 I697 | F471-E693 HydrophobicContact CE1-CB 3.83Å; F471-E693 HydrophobicContact CZ-CB 3.66Å; W490-E693 HydrophobicContact CB-CG 4.45Å; G690-E693 WeakPolarHBondContact CA-OE2 3.47Å; G690-E693 PolarHBondContact O-N 2.77Å; E693-K696 WeakPolarHBondContact O-CB 3.4Å; E693-K696 PolarHBondContact O-N 3.4Å; E693-I697 PolarHBondContact O-N 2.72Å |
| 694 | T | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | I96 I99 F466 I470 G690 M691 L692 I697 R698 | I96-T694 HydrophobicContact CG2-CG2 4.09Å; I99-T694 HydrophobicContact CD1-CG2 3.46Å; I99-T694 VanDerWaalsContact CD1-CG2 3.46Å; F466-T694 HydrophobicContact CZ-CG2 4.16Å; I470-T694 HydrophobicContact CG2-CG2 4.43Å; G690-T694 WeakPolarHBondContact O-CB 3.45Å; G690-T694 PolarHBondContact O-N 2.87Å; G690-T694 PolarHBondContact O-OG1 3.2Å; M691-T694 PolarHBondContact O-N 2.88Å; L692-T694 VanDerWaalsContact C-N 3.28Å; L692-T694 PolarHBondContact O-N 3.4Å; T694-I697 VanDerWaalsContact O-CG2 3.29Å; T694-I697 WeakPolarHBondContact O-CG2 3.46Å; T694-R698 WeakPolarHBondContact O-CB 3.28Å; T694-R698 VanDerWaalsContact O-CG 3.3Å; T694-R698 WeakPolarHBondContact O-CG 3.42Å; T694-R698 PolarHBondContact O-N 3.35Å |
| 695 | V | 88.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | M68 L74 I79 I96 M691 L692 R698 R699 | M68-V695 HydrophobicContact CB-CG1 4.45Å; M68-V695 HydrophobicContact CB-CG2 4.03Å; M68-V695 WeakPolarHBondContact O-CG1 3.48Å; L74-V695 HydrophobicContact CD2-CG1 3.54Å; I79-V695 HydrophobicContact CD1-CB 4.34Å; I79-V695 HydrophobicContact CD1-CG2 3.95Å; I96-V695 HydrophobicContact CD1-CG2 4.19Å; I96-V695 HydrophobicContact CG1-CG2 4.23Å; I96-V695 HydrophobicContact CG2-CB 4.29Å; I96-V695 HydrophobicContact CG2-CG2 3.61Å; M691-V695 VanDerWaalsContact O-CG2 3.28Å; M691-V695 WeakPolarHBondContact O-CG2 3.42Å; M691-V695 PolarHBondContact O-N 2.87Å; L692-V695 PolarHBondContact O-N 3.07Å; V695-R698 PolarHBondContact O-N 3.38Å; V695-R699 WeakPolarHBondContact O-CB 3.23Å; V695-R699 PolarHBondContact O-N 2.61Å |
| 696 | K | 86.8 | Confident | 81.3 | Confident | 74 Ų | 74 | 30.5 Ų | 30.5 | 32% | 0.322 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58.1 | -52.4 | 177.8 | -74.2 | 169.5 | -179.3 | 166.2 | 0 | 111.2 | L74 I488 L692 E693 R698 R699 S700 | L74-K696 HydrophobicContact CD1-CG 4.33Å; I488-K696 HydrophobicContact CD1-CB 4.26Å; L692-K696 HydrophobicContact CG-CD 4.34Å; L692-K696 WeakPolarHBondContact O-CG 3.23Å; L692-K696 PolarHBondContact O-N 3.05Å; E693-K696 WeakPolarHBondContact O-CB 3.4Å; E693-K696 PolarHBondContact O-N 3.4Å; K696-R698 PolarHBondContact O-N 2.94Å; K696-R699 PolarHBondContact O-N 3.46Å; K696-S700 PolarHBondContact O-N 2.72Å; K696-S700 PolarHBondContact O-OG 3.06Å |
| 697 | I | 84.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.3 | -36.5 | -178.9 | -166.8 | 158.8 | 0 | 0 | 0 | 112.4 | I470 F471 Q475 W485 I488 E693 T694 G701 | I470-I697 HydrophobicContact CG2-CG2 3.8Å; I470-I697 VanDerWaalsContact O-CD1 3.22Å; I470-I697 WeakPolarHBondContact O-CD1 3.42Å; F471-I697 HydrophobicContact CD1-CB 4.26Å; F471-I697 HydrophobicContact CD1-CD1 3.66Å; F471-I697 HydrophobicContact CD1-CG2 4.03Å; F471-I697 HydrophobicContact CE1-CB 4.12Å; F471-I697 HydrophobicContact CE1-CD1 4.36Å; F471-I697 HydrophobicContact CE1-CG2 3.63Å; F471-I697 HydrophobicContact CG-CD1 4.5Å; Q475-I697 HydrophobicContact CG-CD1 4.06Å; W485-I697 HydrophobicContact CH2-CG1 4.28Å; W485-I697 HydrophobicContact CZ2-CD1 4.48Å; W485-I697 HydrophobicContact CZ2-CG1 4.18Å; I488-I697 HydrophobicContact CD1-CB 3.86Å; I488-I697 HydrophobicContact CD1-CG1 4.25Å; E693-I697 PolarHBondContact O-N 2.72Å; T694-I697 VanDerWaalsContact O-CG2 3.29Å; T694-I697 WeakPolarHBondContact O-CG2 3.46Å; I697-G701 WeakPolarHBondContact O-CA 3.38Å; I697-G701 PolarHBondContact O-N 3.33Å |
| 698 | R | 84.2 | Confident | 79.3 | Confident | 31 Ų | 31 | 33 Ų | 33 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.4 | -30.3 | 176.6 | -71.2 | -62.1 | -169.7 | -139.4 | 3.6 | 113.2 | I96 E474 T694 V695 K696 | I96-R698 HydrophobicContact CG2-CB 4.35Å; I96-R698 HydrophobicContact CG2-CG 4.26Å; E474-R698 IonicContact OE1-NH1 3.87Å; E474-R698 PolarHBondContact OE1-NH1 3.39Å; E474-R698 IonicContact OE2-CZ 2.64Å; E474-R698 IonicContact OE2-NH1 2.99Å; E474-R698 PolarHBondContact OE2-NH1 3.32Å; T694-R698 WeakPolarHBondContact O-CB 3.28Å; T694-R698 VanDerWaalsContact O-CG 3.3Å; T694-R698 WeakPolarHBondContact O-CG 3.42Å; T694-R698 PolarHBondContact O-N 3.35Å; V695-R698 PolarHBondContact O-N 3.38Å; K696-R698 PolarHBondContact O-N 2.94Å |
| 699 | R | 82.1 | Confident | 78.4 | Confident | 92 Ų | 92 | 39.1 Ų | 39.1 | 35% | 0.347 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -75.2 | -46.8 | 176.5 | -178.7 | -178.6 | 175.1 | -175.6 | -8.2 | 112.3 | A69 L71 E72 L74 V695 K696 | A69-R699 HydrophobicContact CB-CB 4.45Å; A69-R699 WeakPolarHBondContact O-CG 3.33Å; L71-R699 PolarHBondContact O-NH1 3.48Å; E72-R699 PolarHBondContact O-NH1 3.26Å; L74-R699 VanDerWaalsContact CG-NH1 3.34Å; V695-R699 WeakPolarHBondContact O-CB 3.23Å; V695-R699 PolarHBondContact O-N 2.61Å; K696-R699 PolarHBondContact O-N 3.46Å |
| 700 | S | 78.4 | Confident | 77.5 | Confident | 47 Ų | 47 | 41 Ų | 41 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -83.3 | -32.2 | -177.7 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | W485 K696 | W485-S700 WeakPolarHBondContact CH2-OG 3.32Å; W485-S700 WeakPolarHBondContact CZ3-OG 3.33Å; K696-S700 PolarHBondContact O-N 2.72Å; K696-S700 PolarHBondContact O-OG 3.06Å |
| 701 | G | 72.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -77 | 179 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I697 | I697-G701 WeakPolarHBondContact O-CA 3.38Å; I697-G701 PolarHBondContact O-N 3.33Å |
| 702 | F | 74.7 | Confident | 75.5 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | trans | -129.5 | 76.5 | -178.6 | -54.1 | -79 | 0 | 0 | 0 | 110.6 | Y478 L483 V704 H744 F753 L754 R755 | Y478-F702 PolarHBondContact OH-N 2.92Å; Y478-F702 PolarHBondContact OH-O 2.9Å; L483-F702 HydrophobicContact CD1-CD2 4.5Å; F702-V704 VanDerWaalsContact C-N 3.25Å; F702-V704 PolarHBondContact O-N 2.99Å; F702-H744 HydrophobicContact CE1-CB 4.36Å; F702-H744 AromaticContact CE1-CD2 3.55Å; F702-H744 HydrophobicContact CZ-CB 4.28Å; F702-H744 AromaticContact CZ-CD2 3.41Å; F702-H744 VanDerWaalsContact CZ-CD2 3.41Å; F702-H744 WeakPolarHBondContact CZ-CD2 3.31Å; F702-H744 AromaticContact CZ-CG 3.88Å; F702-H744 AromaticContact CZ-NE2 3.99Å; F702-F753 HydrophobicContact CB-CB 3.82Å; F702-F753 HydrophobicContact CB-CD1 4.12Å; F702-F753 HydrophobicContact CB-CG 4.45Å; F702-F753 HydrophobicContact CG-CB 4.26Å; F702-L754 CarbonylContact C-O 3.46Å; F702-R755 HydrophobicContact CD1-CG 3.91Å; F702-R755 HydrophobicContact CE1-CG 4.15Å | ||
| 703 | P | 67.4 | Low | 74.3 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -67.2 | -19.3 | -172.7 | 25.4 | -37.3 | 0 | 0 | 0 | 115.1 | E474 E756 | E474-P703 WeakPolarHBondContact OE1-CA 3.47Å; P703-E756 HydrophobicContact CB-CG 4.46Å; P703-E756 HydrophobicContact CG-CB 4.49Å; P703-E756 HydrophobicContact CG-CG 3.68Å; P703-E756 WeakPolarHBondContact CG-OE1 3.41Å | ||
| 704 | V | 68.5 | Low | 73.2 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122 | -178.6 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | F702 F753 L754 E756 E759 | F702-V704 VanDerWaalsContact C-N 3.25Å; F702-V704 PolarHBondContact O-N 2.99Å; V704-F753 WeakPolarHBondContact O-CA 3.42Å; V704-L754 HydrophobicContact CB-CB 4.1Å; V704-L754 WeakPolarHBondContact CB-O 3.3Å; V704-L754 HydrophobicContact CG1-CB 4.28Å; V704-L754 HydrophobicContact CG1-CD1 4.35Å; V704-L754 PolarHBondContact N-O 2.76Å; V704-L754 PolarHBondContact O-N 2.85Å; V704-E756 HydrophobicContact CG2-CG 3.79Å; V704-E759 HydrophobicContact CG1-CB 4.16Å; V704-E759 HydrophobicContact CG1-CG 4.1Å; V704-E759 WeakPolarHBondContact CG1-OE1 3.36Å; V704-E759 WeakPolarHBondContact CG1-OE2 3.31Å; V704-E759 HydrophobicContact CG2-CB 4.16Å; V704-E759 WeakPolarHBondContact CG2-OE2 3.16Å |
| 705 | R | 70.3 | Confident | 71.7 | Confident | 137 Ų | 137 | 49.2 Ų | 49.2 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.8 | 175.7 | 60.3 | -177.7 | 176.5 | 179.9 | -2.1 | 111.6 | E477 V752 F753 | E477-R705 VanDerWaalsContact CG-NH1 3.34Å; E477-R705 IonicContact OE1-NH1 3.06Å; E477-R705 IonicContact OE2-CZ 3.98Å; E477-R705 IonicContact OE2-NH1 3.77Å; E477-R705 PolarHBondContact OE2-NH1 3.47Å; R705-V752 WeakPolarHBondContact CA-O 2.97Å; R705-F753 HydrophobicContact CB-CD1 4.38Å; R705-F753 HydrophobicContact CB-CE1 4.18Å |
| 706 | R | 68.1 | Low | 70.1 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.1 | 174.2 | -66.6 | -173.5 | 177.1 | -79.6 | -10.6 | 110 | D710 F711 Q751 V752 E759 | R706-D710 IonicContact CZ-OD2 3.43Å; R706-D710 IonicContact NH1-OD2 3.07Å; R706-D710 PolarHBondContact NH1-OD2 3.29Å; R706-F711 HydrophobicContact CB-CB 4.47Å; R706-Q751 CarbonylContact O-C 3.58Å; R706-Q751 VanDerWaalsContact O-CA 3.23Å; R706-Q751 WeakPolarHBondContact O-CA 3.29Å; R706-V752 PolarHBondContact N-O 3.49Å; R706-V752 VanDerWaalsContact N-O 3.1Å; R706-V752 PolarHBondContact O-N 3.31Å; R706-E759 IonicContact CZ-OE1 3.71Å; R706-E759 IonicContact NE-OE1 3.67Å; R706-E759 PolarHBondContact NE-OE1 3.04Å; R706-E759 IonicContact NH2-OE1 2.72Å; R706-E759 PolarHBondContact NH2-OE1 3.29Å |
| 707 | S | 67.9 | Low | 68.4 | Low | 55 Ų | 55 | 52.7 Ų | 52.7 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 150.3 | 168 | 70.8 | 0 | 0 | 0 | 0 | 110.1 | Q709 D710 F711 L750 | S707-Q709 PolarHBondContact O-N 3.15Å; S707-D710 PolarHBondContact O-N 3.27Å; S707-D710 VanDerWaalsContact OG-CB 3.3Å; S707-D710 WeakPolarHBondContact OG-CB 3.1Å; S707-D710 PolarHBondContact OG-N 2.67Å; S707-D710 VanDerWaalsContact OG-N 3.12Å; S707-F711 WeakPolarHBondContact O-CB 3.47Å; S707-F711 PolarHBondContact O-N 3.19Å; S707-L750 WeakPolarHBondContact CA-O 3.15Å |
| 708 | F | 66.4 | Low | 66.2 | Low | 74 Ų | 74 | 55.7 Ų | 55.7 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -37.3 | 178.1 | -176.8 | -100.9 | 0 | 0 | 0 | 112.1 | F711 C712 L750 V752 | F708-F711 PolarHBondContact O-N 3.38Å; F708-C712 VanDerWaalsContact CZ-SG 3.5Å; F708-C712 WeakPolarHBondContact O-CB 3.35Å; F708-C712 PolarHBondContact O-N 2.89Å; F708-C712 PolarHBondContact O-SG 3.41Å; F708-L750 PolarHBondContact N-O 2.88Å; F708-V752 HydrophobicContact CB-CG2 4.44Å; F708-V752 HydrophobicContact CD2-CG2 3.92Å |
| 709 | Q | 65.3 | Low | 64.1 | Low | 162 Ų | 162 | 57.4 Ų | 57.4 | 76% | 0.757 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 176.5 | -171 | 180 | 4.7 | 0 | 0 | 112.3 | S707 S713 | S707-Q709 PolarHBondContact O-N 3.15Å; Q709-S713 VanDerWaalsContact O-CB 3.31Å; Q709-S713 WeakPolarHBondContact O-CB 3.46Å; Q709-S713 PolarHBondContact O-N 2.92Å; Q709-S713 PolarHBondContact O-OG 3.48Å |
| 710 | D | 67.6 | Low | 62.1 | Low | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.9 | -178.9 | 51.4 | 0 | 0 | 0 | 110.3 | R706 S707 C712 S713 R714 | R706-D710 IonicContact CZ-OD2 3.43Å; R706-D710 IonicContact NH1-OD2 3.07Å; R706-D710 PolarHBondContact NH1-OD2 3.29Å; S707-D710 PolarHBondContact O-N 3.27Å; S707-D710 VanDerWaalsContact OG-CB 3.3Å; S707-D710 WeakPolarHBondContact OG-CB 3.1Å; S707-D710 PolarHBondContact OG-N 2.67Å; S707-D710 VanDerWaalsContact OG-N 3.12Å; D710-C712 PolarHBondContact O-N 3.34Å; D710-S713 WeakPolarHBondContact CA-OG 3.43Å; D710-S713 PolarHBondContact O-N 3.42Å; D710-S713 PolarHBondContact O-OG 2.88Å; D710-R714 WeakPolarHBondContact O-CB 3.41Å; D710-R714 PolarHBondContact O-N 2.95Å |
| 711 | F | 66.1 | Low | 60.1 | Low | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 179.2 | -176.4 | -100.6 | 0 | 0 | 0 | 112.6 | R706 S707 F708 L715 L717 I743 V752 L754 L762 | R706-F711 HydrophobicContact CB-CB 4.47Å; S707-F711 WeakPolarHBondContact O-CB 3.47Å; S707-F711 PolarHBondContact O-N 3.19Å; F708-F711 PolarHBondContact O-N 3.38Å; F711-L715 HydrophobicContact CD1-CD1 4.25Å; F711-L715 HydrophobicContact CD2-CD1 4.05Å; F711-L715 HydrophobicContact CE1-CD1 3.71Å; F711-L715 HydrophobicContact CE2-CD1 3.47Å; F711-L715 VanDerWaalsContact CE2-CD1 3.47Å; F711-L715 HydrophobicContact CG-CD1 4.41Å; F711-L715 HydrophobicContact CZ-CD1 3.28Å; F711-L715 PolarHBondContact O-N 3.35Å; F711-L717 HydrophobicContact CE1-CD1 4.27Å; F711-I743 HydrophobicContact CZ-CD1 4.23Å; F711-V752 HydrophobicContact CB-CG2 4.23Å; F711-V752 HydrophobicContact CD1-CG2 4.24Å; F711-V752 HydrophobicContact CD2-CG1 4.22Å; F711-V752 HydrophobicContact CE2-CG1 4.29Å; F711-V752 HydrophobicContact CG-CB 4.35Å; F711-V752 HydrophobicContact CG-CG1 4.33Å; F711-V752 HydrophobicContact CG-CG2 4.2Å; F711-V752 HydrophobicContact CZ-CG1 4.45Å; F711-L754 HydrophobicContact CD2-CD1 4.05Å; F711-L754 HydrophobicContact CE2-CD1 3.71Å; F711-L754 HydrophobicContact CE2-CD2 4.27Å; F711-L762 HydrophobicContact CE2-CD1 4.16Å; F711-L762 HydrophobicContact CZ-CD1 4.44Å |
| 712 | C | 63.2 | Low | 58.5 | Low | 37 Ų | 37 | 61.2 Ų | 61.2 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -44.1 | -179.3 | -68.5 | 0 | 0 | 0 | 0 | 113 | F708 D710 N716 L717 | F708-C712 VanDerWaalsContact CZ-SG 3.5Å; F708-C712 WeakPolarHBondContact O-CB 3.35Å; F708-C712 PolarHBondContact O-N 2.89Å; F708-C712 PolarHBondContact O-SG 3.41Å; D710-C712 PolarHBondContact O-N 3.34Å; C712-N716 PolarHBondContact O-N 2.76Å; C712-L717 PolarHBondContact O-N 3.38Å |
| 713 | S | 62.8 | Low | 56.6 | Low | 75 Ų | 75 | 67.7 Ų | 67.7 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | Q709 D710 N716 | Q709-S713 VanDerWaalsContact O-CB 3.31Å; Q709-S713 WeakPolarHBondContact O-CB 3.46Å; Q709-S713 PolarHBondContact O-N 2.92Å; Q709-S713 PolarHBondContact O-OG 3.48Å; D710-S713 WeakPolarHBondContact CA-OG 3.43Å; D710-S713 PolarHBondContact O-N 3.42Å; D710-S713 PolarHBondContact O-OG 2.88Å; S713-N716 PolarHBondContact O-N 3.22Å |
| 714 | R | 63 | Low | 55.3 | Low | 58 Ų | 58 | 69.6 Ų | 69.6 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -73.7 | -34.7 | -175.5 | -169.7 | 173.1 | 179.7 | 121.5 | 2.6 | 114.1 | R146 D710 N716 E763 R766 | R146-R714 VanDerWaalsContact CG-NH2 3.27Å; R146-R714 PolarHBondContact O-NH1 3.08Å; D710-R714 WeakPolarHBondContact O-CB 3.41Å; D710-R714 PolarHBondContact O-N 2.95Å; R714-N716 PolarHBondContact O-N 3.45Å; R714-E763 IonicContact NH2-OE1 3.79Å; R714-E763 PolarHBondContact NH2-OE1 3.08Å; R714-R766 VanDerWaalsContact CG-NH1 3.3Å |
| 715 | L | 58.6 | Low | 53.8 | Low | 53 Ų | 53 | 76.2 Ų | 76.2 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -1 | 174 | -71.6 | 173.9 | 0 | 0 | 0 | 113.1 | F711 L717 L762 | F711-L715 HydrophobicContact CD1-CD1 4.25Å; F711-L715 HydrophobicContact CD2-CD1 4.05Å; F711-L715 HydrophobicContact CE1-CD1 3.71Å; F711-L715 HydrophobicContact CE2-CD1 3.47Å; F711-L715 VanDerWaalsContact CE2-CD1 3.47Å; F711-L715 HydrophobicContact CG-CD1 4.41Å; F711-L715 HydrophobicContact CZ-CD1 3.28Å; F711-L715 PolarHBondContact O-N 3.35Å; L715-L717 HydrophobicContact CB-CD1 3.92Å; L715-L717 HydrophobicContact CB-CG 3.84Å; L715-L717 HydrophobicContact CD1-CD1 3.94Å; L715-L717 PolarHBondContact O-N 2.66Å; L715-L762 HydrophobicContact CD1-CD1 4.42Å; L715-L762 HydrophobicContact CD1-CD2 4.45Å; L715-L762 HydrophobicContact CD2-CB 4.19Å; L715-L762 HydrophobicContact CD2-CD2 4.25Å |
| 716 | N | 54.7 | Low | 52.3 | Low | 117 Ų | 117 | 76.3 Ų | 76.3 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 34.7 | -174.7 | -114.8 | -3.5 | 0 | 0 | 0 | 111.6 | C712 S713 R714 A718 S719 | C712-N716 PolarHBondContact O-N 2.76Å; S713-N716 PolarHBondContact O-N 3.22Å; R714-N716 PolarHBondContact O-N 3.45Å; N716-A718 PolarHBondContact O-N 2.77Å; N716-S719 PolarHBondContact O-N 3.45Å |
| 717 | L | 49.6 | Very low | 50.8 | Low | 29 Ų | 29 | 82.5 Ų | 82.5 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.9 | 179.3 | -84.9 | 163.9 | 0 | 0 | 0 | 111.4 | F711 C712 L715 S719 C720 V721 L737 | F711-L717 HydrophobicContact CE1-CD1 4.27Å; C712-L717 PolarHBondContact O-N 3.38Å; L715-L717 HydrophobicContact CB-CD1 3.92Å; L715-L717 HydrophobicContact CB-CG 3.84Å; L715-L717 HydrophobicContact CD1-CD1 3.94Å; L715-L717 PolarHBondContact O-N 2.66Å; L717-S719 PolarHBondContact O-N 2.87Å; L717-S719 VanDerWaalsContact O-N 3.12Å; L717-C720 HydrophobicContact CD2-CB 3.74Å; L717-C720 CarbonylContact O-C 3.53Å; L717-C720 WeakPolarHBondContact O-CA 2.87Å; L717-C720 PolarHBondContact O-N 3.01Å; L717-V721 HydrophobicContact CB-CG2 4.46Å; L717-V721 WeakPolarHBondContact O-CB 3.47Å; L717-V721 VanDerWaalsContact O-CG2 3.22Å; L717-V721 WeakPolarHBondContact O-CG2 3.46Å; L717-V721 PolarHBondContact O-N 3.29Å; L717-L737 HydrophobicContact CD1-CD1 4.45Å; L717-L737 HydrophobicContact CD1-CD2 4.31Å |
| 718 | A | 39.2 | Very low | 49.3 | Very low | 63 Ų | 63 | 83.8 Ų | 83.8 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -47 | -37.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | N716 L722 | N716-A718 PolarHBondContact O-N 2.77Å; A718-L722 WeakPolarHBondContact O-CB 3.3Å; A718-L722 WeakPolarHBondContact O-CD1 3.45Å; A718-L722 PolarHBondContact O-N 2.96Å |
| 719 | S | 40.7 | Very low | 47.7 | Very low | 68 Ų | 68 | 83.2 Ų | 83.2 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -75.1 | -32.8 | 175.8 | 88.9 | 0 | 0 | 0 | 0 | 113.6 | N716 L717 Q723 | N716-S719 PolarHBondContact O-N 3.45Å; L717-S719 PolarHBondContact O-N 2.87Å; L717-S719 VanDerWaalsContact O-N 3.12Å; S719-Q723 PolarHBondContact O-N 3.31Å |
| 720 | C | 38.9 | Very low | 46.4 | Very low | 57 Ų | 57 | 84.3 Ų | 84.3 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.7 | -34.3 | 175 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | L717 L722 Q723 I724 | L717-C720 HydrophobicContact CD2-CB 3.74Å; L717-C720 CarbonylContact O-C 3.53Å; L717-C720 WeakPolarHBondContact O-CA 2.87Å; L717-C720 PolarHBondContact O-N 3.01Å; C720-L722 VanDerWaalsContact C-N 3.35Å; C720-Q723 PolarHBondContact O-N 3.2Å; C720-I724 WeakPolarHBondContact O-CD1 3.5Å; C720-I724 VanDerWaalsContact O-CG1 3.27Å; C720-I724 WeakPolarHBondContact O-CG1 3.24Å; C720-I724 PolarHBondContact O-N 3.15Å; C720-I724 VanDerWaalsContact O-N 3.1Å |
| 721 | V | 37.3 | Very low | 45 | Very low | 53 Ų | 53 | 87.5 Ų | 87.5 | 32% | 0.321 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | L717 I724 Q725 | L717-V721 HydrophobicContact CB-CG2 4.46Å; L717-V721 WeakPolarHBondContact O-CB 3.47Å; L717-V721 VanDerWaalsContact O-CG2 3.22Å; L717-V721 WeakPolarHBondContact O-CG2 3.46Å; L717-V721 PolarHBondContact O-N 3.29Å; V721-I724 PolarHBondContact O-N 2.84Å; V721-I724 VanDerWaalsContact O-N 3.15Å; V721-Q725 PolarHBondContact O-N 3.26Å |
| 722 | L | 37.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 89.6 Ų | 89.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -34.3 | 172.6 | -87 | 158.1 | 0 | 0 | 0 | 113.4 | A718 C720 I724 | A718-L722 WeakPolarHBondContact O-CB 3.3Å; A718-L722 WeakPolarHBondContact O-CD1 3.45Å; A718-L722 PolarHBondContact O-N 2.96Å; C720-L722 VanDerWaalsContact C-N 3.35Å; L722-I724 VanDerWaalsContact C-N 3.32Å |
| 723 | Q | 36.5 | Very low | 43.5 | Very low | 156 Ų | 156 | 90.8 Ų | 90.8 | 73% | 0.729 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.8 | -27.9 | 170.7 | -94.4 | -173.2 | -34.1 | 0 | 0 | 112.9 | S719 C720 | S719-Q723 PolarHBondContact O-N 3.31Å; C720-Q723 PolarHBondContact O-N 3.2Å |
| 724 | I | 39.7 | Very low | 42.5 | Very low | 67 Ų | 67 | 88.8 Ų | 88.8 | 34% | 0.344 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.6 | -27.7 | 178.4 | -70.7 | 165.4 | 0 | 0 | 0 | 112 | C720 V721 L722 L726 H727 | C720-I724 WeakPolarHBondContact O-CD1 3.5Å; C720-I724 VanDerWaalsContact O-CG1 3.27Å; C720-I724 WeakPolarHBondContact O-CG1 3.24Å; C720-I724 PolarHBondContact O-N 3.15Å; C720-I724 VanDerWaalsContact O-N 3.1Å; V721-I724 PolarHBondContact O-N 2.84Å; V721-I724 VanDerWaalsContact O-N 3.15Å; L722-I724 VanDerWaalsContact C-N 3.32Å; I724-L726 PolarHBondContact O-N 3.42Å; I724-H727 PolarHBondContact O-N 3.17Å |
| 725 | Q | 36.6 | Very low | 41.7 | Very low | 143 Ų | 143 | 92.1 Ų | 92.1 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.3 | 175.9 | -78.3 | -175.3 | -32.2 | 0 | 0 | 114 | V721 H727 | V721-Q725 PolarHBondContact O-N 3.26Å; Q725-H727 VanDerWaalsContact C-N 3.32Å; Q725-H727 PolarHBondContact O-N 3.49Å |
| 726 | L | 38.7 | Very low | 40.9 | Very low | 140 Ų | 140 | 94.5 Ų | 94.5 | 73% | 0.733 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.9 | 178.3 | -90.1 | 148.8 | 0 | 0 | 0 | 114.4 | I724 | I724-L726 PolarHBondContact O-N 3.42Š|
| 727 | H | 36.9 | Very low | 40.7 | Very low | 155 Ų | 155 | 90.6 Ų | 90.6 | 72% | 0.718 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -123.6 | 91 | 172.7 | -90.4 | 38.4 | 0 | 0 | 0 | 109.5 | I724 Q725 A729 | I724-H727 PolarHBondContact O-N 3.17Å; Q725-H727 VanDerWaalsContact C-N 3.32Å; Q725-H727 PolarHBondContact O-N 3.49Å; H727-A729 PolarHBondContact O-N 2.96Å; H727-A729 VanDerWaalsContact O-N 3.08Å |
| 728 | G | 35.5 | Very low | 40.6 | Very low | 81 Ų | 81 | 93.8 Ų | 93.8 | 84% | 0.835 | 51% | 0.511 | S | S | * | . | trans | -49.6 | 110.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 729 | A | 34 | Very low | 40.8 | Very low | 63 Ų | 63 | 97 Ų | 97 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | trans | -167.2 | 124.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | H727 Q731 | H727-A729 PolarHBondContact O-N 2.96Å; H727-A729 VanDerWaalsContact O-N 3.08Å; A729-Q731 PolarHBondContact O-N 3.08Å | ||
| 730 | I | 37.8 | Very low | 40.9 | Very low | 184 Ų | 184 | 102.4 Ų | 102.4 | 94% | 0.944 | 54% | 0.539 | S | S | * | . | trans | -70.7 | 71.8 | 176.2 | -56.3 | 165.1 | 0 | 0 | 0 | 108.3 | ||||
| 731 | Q | 37.9 | Very low | 41.2 | Very low | 121 Ų | 121 | 102.8 Ų | 102.8 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | trans | -120.3 | 118 | 161.9 | -72.3 | -169.4 | -0.5 | 0 | 0 | 107 | A729 | A729-Q731 PolarHBondContact O-N 3.08Š| ||
| 732 | S | 49.3 | Very low | 41.8 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 56% | 0.557 | S | S | . | * | trans | -36.2 | 131.5 | -174.2 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | C734 R735 | S732-C734 PolarHBondContact O-N 3.23Å; S732-R735 PolarHBondContact O-N 3.24Å | ||
| 733 | P | 47.8 | Very low | 42.6 | Very low | 62 Ų | 62 | 100.5 Ų | 100.5 | 40% | 0.403 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -46 | -29 | 175.6 | -28.5 | 33.7 | 0 | 0 | 0 | 114 | R735 R736 L737 | P733-R735 PolarHBondContact O-N 2.96Å; P733-R736 PolarHBondContact O-N 3.45Å; P733-L737 PolarHBondContact O-N 3.04Å |
| 734 | C | 42.8 | Very low | 43.3 | Very low | 32 Ų | 32 | 97.6 Ų | 97.6 | 22% | 0.216 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -56.8 | -39.1 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 114.7 | S732 R738 V745 | S732-C734 PolarHBondContact O-N 3.23Å; C734-R738 WeakPolarHBondContact O-CB 3.24Å; C734-R738 PolarHBondContact O-N 3.44Å; C734-R738 VanDerWaalsContact O-N 3.07Å; C734-V745 HydrophobicContact CB-CG1 4.27Å |
| 735 | R | 45 | Very low | 43.7 | Very low | 128 Ų | 128 | 95.1 Ų | 95.1 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71 | -39 | -179 | -91 | -175.5 | 174.5 | -167.9 | -2.6 | 112.2 | S732 P733 R738 V739 | S732-R735 PolarHBondContact O-N 3.24Å; P733-R735 PolarHBondContact O-N 2.96Å; R735-R738 WeakPolarHBondContact O-CB 3.35Å; R735-R738 PolarHBondContact O-N 3.38Å; R735-V739 WeakPolarHBondContact O-CG2 3.33Å; R735-V739 PolarHBondContact O-N 3.02Å |
| 736 | R | 43.6 | Very low | 44 | Very low | 103 Ų | 103 | 89.7 Ų | 89.7 | 39% | 0.389 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 177.3 | -73.1 | -175.6 | -160.4 | 168.9 | 9.6 | 112.3 | P733 V739 F740 | P733-R736 PolarHBondContact O-N 3.45Å; R736-V739 PolarHBondContact O-N 2.92Å; R736-F740 PolarHBondContact O-N 3.13Å |
| 737 | L | 48.5 | Very low | 44.2 | Very low | 36 Ų | 36 | 88.3 Ų | 88.3 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 173.1 | -88.2 | 154.5 | 0 | 0 | 0 | 112.6 | L717 P733 V739 F740 M741 | L717-L737 HydrophobicContact CD1-CD1 4.45Å; L717-L737 HydrophobicContact CD1-CD2 4.31Å; P733-L737 PolarHBondContact O-N 3.04Å; L737-V739 PolarHBondContact O-N 2.8Å; L737-F740 PolarHBondContact O-N 2.7Å; L737-M741 PolarHBondContact O-N 3.19Å |
| 738 | R | 47.8 | Very low | 44.5 | Very low | 95 Ų | 95 | 88.7 Ų | 88.7 | 36% | 0.358 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.1 | -128.8 | 177.1 | 173.4 | 179.8 | -0.2 | 112.1 | C734 R735 S742 I743 V745 | C734-R738 WeakPolarHBondContact O-CB 3.24Å; C734-R738 PolarHBondContact O-N 3.44Å; C734-R738 VanDerWaalsContact O-N 3.07Å; R735-R738 WeakPolarHBondContact O-CB 3.35Å; R735-R738 PolarHBondContact O-N 3.38Å; R738-S742 PolarHBondContact O-N 3.27Å; R738-I743 WeakPolarHBondContact CG-O 3.3Å; R738-V745 PolarHBondContact NE-O 3.12Å; R738-V745 VanDerWaalsContact NE-O 3.15Å; R738-V745 PolarHBondContact NH2-O 2.76Å; R738-V745 VanDerWaalsContact NH2-O 3.1Å |
| 739 | V | 44.2 | Very low | 45.3 | Very low | 130 Ų | 130 | 85.9 Ų | 85.9 | 79% | 0.788 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -71.7 | -33.3 | -177.3 | 175.8 | 0 | 0 | 0 | 0 | 112 | R735 R736 L737 | R735-V739 WeakPolarHBondContact O-CG2 3.33Å; R735-V739 PolarHBondContact O-N 3.02Å; R736-V739 PolarHBondContact O-N 2.92Å; L737-V739 PolarHBondContact O-N 2.8Å |
| 740 | F | 41.7 | Very low | 46.5 | Very low | 182 Ų | 182 | 90 Ų | 90 | 80% | 0.798 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -84.3 | -26 | -174.4 | -140.1 | -89.5 | 0 | 0 | 0 | 114.4 | R736 L737 | R736-F740 PolarHBondContact O-N 3.13Å; L737-F740 PolarHBondContact O-N 2.7Å |
| 741 | M | 47.2 | Very low | 47.7 | Very low | 65 Ų | 65 | 83.9 Ų | 83.9 | 32% | 0.32 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -128.3 | 7.6 | -169.3 | -70.5 | -154.9 | 167.6 | 0 | 0 | 115.7 | L737 I743 L762 | L737-M741 PolarHBondContact O-N 3.19Å; M741-I743 HydrophobicContact CB-CD1 3.51Å; M741-I743 HydrophobicContact CB-CG1 3.63Å; M741-I743 HydrophobicContact CG-CD1 4.34Å; M741-I743 PolarHBondContact O-N 3.17Å; M741-I743 HydrophobicContact SD-CD1 4.22Å; M741-L762 HydrophobicContact CE-CD2 4.27Å; M741-L762 HydrophobicContact SD-CD2 3.96Å |
| 742 | S | 49.1 | Very low | 49.1 | Very low | 109 Ų | 109 | 78.2 Ų | 78.2 | 76% | 0.762 | 40% | 0.404 | S | S | * | . | trans | 52 | 35.3 | -175.3 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | R738 | R738-S742 PolarHBondContact O-N 3.27Š| ||
| 743 | I | 54.4 | Low | 50.1 | Low | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | trans | -85.6 | 128.9 | 179.2 | -63 | 167.2 | 0 | 0 | 0 | 108.3 | F711 R738 M741 V745 V752 L754 L758 | F711-I743 HydrophobicContact CZ-CD1 4.23Å; R738-I743 WeakPolarHBondContact CG-O 3.3Å; M741-I743 HydrophobicContact CB-CD1 3.51Å; M741-I743 HydrophobicContact CB-CG1 3.63Å; M741-I743 HydrophobicContact CG-CD1 4.34Å; M741-I743 PolarHBondContact O-N 3.17Å; M741-I743 HydrophobicContact SD-CD1 4.22Å; I743-V745 HydrophobicContact CB-CG2 4.36Å; I743-V745 HydrophobicContact CG2-CG2 3.6Å; I743-V745 PolarHBondContact O-N 3.19Å; I743-V745 VanDerWaalsContact O-N 3.09Å; I743-V752 HydrophobicContact CG2-CG1 4.04Å; I743-L754 HydrophobicContact CD1-CD2 4.39Å; I743-L754 HydrophobicContact CG1-CD2 4.11Å; I743-L754 HydrophobicContact CG2-CD2 3.93Å; I743-L758 HydrophobicContact CG1-CD2 3.7Å | ||
| 744 | H | 50.3 | Low | 51.1 | Low | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 87 | 167.9 | -73.6 | -88.4 | 0 | 0 | 0 | 109.5 | F702 | F702-H744 HydrophobicContact CE1-CB 4.36Å; F702-H744 AromaticContact CE1-CD2 3.55Å; F702-H744 HydrophobicContact CZ-CB 4.28Å; F702-H744 AromaticContact CZ-CD2 3.41Å; F702-H744 VanDerWaalsContact CZ-CD2 3.41Å; F702-H744 WeakPolarHBondContact CZ-CD2 3.31Å; F702-H744 AromaticContact CZ-CG 3.88Å; F702-H744 AromaticContact CZ-NE2 3.99Å |
| 745 | V | 47.7 | Very low | 52.6 | Low | 15 Ų | 15 | 77 Ų | 77 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | trans | -86 | 113.4 | 164.5 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | C734 R738 I743 Q747 | C734-V745 HydrophobicContact CB-CG1 4.27Å; R738-V745 PolarHBondContact NE-O 3.12Å; R738-V745 VanDerWaalsContact NE-O 3.15Å; R738-V745 PolarHBondContact NH2-O 2.76Å; R738-V745 VanDerWaalsContact NH2-O 3.1Å; I743-V745 HydrophobicContact CB-CG2 4.36Å; I743-V745 HydrophobicContact CG2-CG2 3.6Å; I743-V745 PolarHBondContact O-N 3.19Å; I743-V745 VanDerWaalsContact O-N 3.09Å; V745-Q747 PolarHBondContact O-N 2.71Å | ||
| 746 | V | 44.8 | Very low | 53.7 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | trans | -68.5 | 129.1 | 168.1 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | L483 D748 G749 | L483-V746 HydrophobicContact CD2-CG2 3.23Å; L483-V746 HydrophobicContact CG-CG2 3.95Å; V746-D748 PolarHBondContact O-N 2.98Å; V746-D748 VanDerWaalsContact O-N 3.08Å; V746-G749 PolarHBondContact O-N 3.43Å | ||
| 747 | Q | 41 | Very low | 54.8 | Low | 111 Ų | 111 | 70.2 Ų | 70.2 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.2 | -166.8 | -142.8 | 173.6 | -48.6 | 0 | 0 | 113.2 | V745 | V745-Q747 PolarHBondContact O-N 2.71Š|
| 748 | D | 43.8 | Very low | 55.7 | Low | 163 Ų | 163 | 69.5 Ų | 69.5 | 87% | 0.872 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 2.5 | 179.1 | -67 | -41.7 | 0 | 0 | 0 | 114.5 | V746 | V746-D748 PolarHBondContact O-N 2.98Å; V746-D748 VanDerWaalsContact O-N 3.08Å |
| 749 | G | 51.6 | Low | 56.8 | Low | 22 Ų | 22 | 65.6 Ų | 65.6 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | trans | -87.6 | 136.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V746 Q751 | V746-G749 PolarHBondContact O-N 3.43Å; G749-Q751 PolarHBondContact O-N 3.37Å | ||
| 750 | L | 59.8 | Low | 57.8 | Low | 150 Ų | 150 | 61.8 Ų | 61.8 | 79% | 0.785 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -68.5 | -9.8 | 172 | -82.7 | 153.7 | 0 | 0 | 0 | 112.7 | S707 F708 | S707-L750 WeakPolarHBondContact CA-O 3.15Å; F708-L750 PolarHBondContact N-O 2.88Å |
| 751 | Q | 62.6 | Low | 59 | Low | 55 Ų | 55 | 60.2 Ų | 60.2 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.5 | -174 | -56.6 | -168.4 | 9.1 | 0 | 0 | 113.1 | R706 G749 F753 | R706-Q751 CarbonylContact O-C 3.58Å; R706-Q751 VanDerWaalsContact O-CA 3.23Å; R706-Q751 WeakPolarHBondContact O-CA 3.29Å; G749-Q751 PolarHBondContact O-N 3.37Å; Q751-F753 HydrophobicContact CB-CE2 4.2Å |
| 752 | V | 68.1 | Low | 60.1 | Low | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.5 | 176.3 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | R705 R706 F708 F711 I743 L754 | R705-V752 WeakPolarHBondContact CA-O 2.97Å; R706-V752 PolarHBondContact N-O 3.49Å; R706-V752 VanDerWaalsContact N-O 3.1Å; R706-V752 PolarHBondContact O-N 3.31Å; F708-V752 HydrophobicContact CB-CG2 4.44Å; F708-V752 HydrophobicContact CD2-CG2 3.92Å; F711-V752 HydrophobicContact CB-CG2 4.23Å; F711-V752 HydrophobicContact CD1-CG2 4.24Å; F711-V752 HydrophobicContact CD2-CG1 4.22Å; F711-V752 HydrophobicContact CE2-CG1 4.29Å; F711-V752 HydrophobicContact CG-CB 4.35Å; F711-V752 HydrophobicContact CG-CG1 4.33Å; F711-V752 HydrophobicContact CG-CG2 4.2Å; F711-V752 HydrophobicContact CZ-CG1 4.45Å; I743-V752 HydrophobicContact CG2-CG1 4.04Å; V752-L754 HydrophobicContact CG1-CD1 4.42Å; V752-L754 HydrophobicContact CG1-CD2 4.04Å; V752-L754 HydrophobicContact CG1-CG 4.05Å |
| 753 | F | 70.1 | Confident | 60.9 | Low | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129 | 178 | -74.1 | -91.1 | 0 | 0 | 0 | 110.6 | E477 Y478 E481 L483 F702 V704 R705 Q751 | E477-F753 HydrophobicContact CG-CZ 4.34Å; Y478-F753 HydrophobicContact CD1-CD1 4.4Å; Y478-F753 HydrophobicContact CD1-CE1 4.01Å; Y478-F753 HydrophobicContact CE1-CD1 4.18Å; Y478-F753 HydrophobicContact CE1-CE1 4.04Å; E481-F753 HydrophobicContact CB-CE2 3.96Å; E481-F753 HydrophobicContact CB-CZ 4.19Å; E481-F753 HydrophobicContact CG-CE2 3.86Å; E481-F753 HydrophobicContact CG-CZ 3.85Å; L483-F753 HydrophobicContact CD1-CD1 4Å; L483-F753 HydrophobicContact CD1-CD2 4.01Å; L483-F753 HydrophobicContact CD1-CE1 4.16Å; L483-F753 HydrophobicContact CD1-CE2 4.18Å; L483-F753 HydrophobicContact CD1-CG 3.91Å; L483-F753 HydrophobicContact CD1-CZ 4.26Å; F702-F753 HydrophobicContact CB-CB 3.82Å; F702-F753 HydrophobicContact CB-CD1 4.12Å; F702-F753 HydrophobicContact CB-CG 4.45Å; F702-F753 HydrophobicContact CG-CB 4.26Å; V704-F753 WeakPolarHBondContact O-CA 3.42Å; R705-F753 HydrophobicContact CB-CD1 4.38Å; R705-F753 HydrophobicContact CB-CE1 4.18Å; Q751-F753 HydrophobicContact CB-CE2 4.2Å |
| 754 | L | 69.9 | Low | 61.3 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.6 | -174.4 | -59.1 | 162 | 0 | 0 | 0 | 109.7 | F702 V704 F711 I743 V752 L758 | F702-L754 CarbonylContact C-O 3.46Å; V704-L754 HydrophobicContact CB-CB 4.1Å; V704-L754 WeakPolarHBondContact CB-O 3.3Å; V704-L754 HydrophobicContact CG1-CB 4.28Å; V704-L754 HydrophobicContact CG1-CD1 4.35Å; V704-L754 PolarHBondContact N-O 2.76Å; V704-L754 PolarHBondContact O-N 2.85Å; F711-L754 HydrophobicContact CD2-CD1 4.05Å; F711-L754 HydrophobicContact CE2-CD1 3.71Å; F711-L754 HydrophobicContact CE2-CD2 4.27Å; I743-L754 HydrophobicContact CD1-CD2 4.39Å; I743-L754 HydrophobicContact CG1-CD2 4.11Å; I743-L754 HydrophobicContact CG2-CD2 3.93Å; V752-L754 HydrophobicContact CG1-CD1 4.42Å; V752-L754 HydrophobicContact CG1-CD2 4.04Å; V752-L754 HydrophobicContact CG1-CG 4.05Å; L754-L758 HydrophobicContact CD2-CD2 3.83Å; L754-L758 HydrophobicContact CD2-CG 4.47Å |
| 755 | R | 73.1 | Confident | 61.9 | Low | 115 Ų | 115 | 60.1 Ų | 60.1 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | trans | -74.8 | 146.1 | 163 | -65.2 | -173.6 | 176.6 | -178.4 | -0.1 | 109.4 | F702 S757 L758 E759 | F702-R755 HydrophobicContact CD1-CG 3.91Å; F702-R755 HydrophobicContact CE1-CG 4.15Å; R755-S757 VanDerWaalsContact C-N 3.27Å; R755-S757 PolarHBondContact O-N 3.17Å; R755-L758 WeakPolarHBondContact O-CA 3.3Å; R755-L758 WeakPolarHBondContact O-CB 3.45Å; R755-L758 PolarHBondContact O-N 2.9Å; R755-E759 PolarHBondContact O-N 3.1Å | ||
| 756 | E | 68.3 | Low | 62.6 | Low | 27 Ų | 27 | 64.8 Ų | 64.8 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54 | -43.3 | 177.9 | -84.9 | 159.2 | -177.6 | 0 | 0 | 112.3 | G97 S98 P703 V704 L758 E759 Q760 | G97-E756 WeakPolarHBondContact CA-OE2 3.42Å; S98-E756 WeakPolarHBondContact CB-OE1 3.33Å; S98-E756 PolarHBondContact N-OE2 3.15Å; S98-E756 PolarHBondContact OG-OE1 2.95Å; P703-E756 HydrophobicContact CB-CG 4.46Å; P703-E756 HydrophobicContact CG-CB 4.49Å; P703-E756 HydrophobicContact CG-CG 3.68Å; P703-E756 WeakPolarHBondContact CG-OE1 3.41Å; V704-E756 HydrophobicContact CG2-CG 3.79Å; E756-L758 PolarHBondContact O-N 2.78Å; E756-E759 PolarHBondContact O-N 2.93Å; E756-E759 VanDerWaalsContact O-N 3.14Å; E756-Q760 WeakPolarHBondContact O-CB 3.48Å; E756-Q760 WeakPolarHBondContact O-CG 3.43Å; E756-Q760 PolarHBondContact O-N 3.09Å |
| 757 | S | 66.2 | Low | 62.9 | Low | 62 Ų | 62 | 67.2 Ų | 67.2 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -26.2 | 178 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | R755 R761 | R755-S757 VanDerWaalsContact C-N 3.27Å; R755-S757 PolarHBondContact O-N 3.17Å; S757-R761 VanDerWaalsContact O-CG 3.27Å; S757-R761 WeakPolarHBondContact O-CG 3.42Å; S757-R761 PolarHBondContact O-N 2.91Å; S757-R761 PolarHBondContact O-NE 3.02Å |
| 758 | L | 69.1 | Low | 63.4 | Low | 20 Ų | 20 | 69 Ų | 69 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -81.9 | -42 | 173.9 | -174.5 | 62.3 | 0 | 0 | 0 | 111.1 | I743 L754 R755 E756 Q760 R761 L762 | I743-L758 HydrophobicContact CG1-CD2 3.7Å; L754-L758 HydrophobicContact CD2-CD2 3.83Å; L754-L758 HydrophobicContact CD2-CG 4.47Å; R755-L758 WeakPolarHBondContact O-CA 3.3Å; R755-L758 WeakPolarHBondContact O-CB 3.45Å; R755-L758 PolarHBondContact O-N 2.9Å; E756-L758 PolarHBondContact O-N 2.78Å; L758-Q760 PolarHBondContact O-N 3.31Å; L758-R761 PolarHBondContact O-N 2.86Å; L758-L762 HydrophobicContact CG-CD1 4.19Å; L758-L762 WeakPolarHBondContact O-CB 3.43Å; L758-L762 VanDerWaalsContact O-CG 3.3Å; L758-L762 WeakPolarHBondContact O-CG 3.32Å; L758-L762 PolarHBondContact O-N 3.31Å |
| 759 | E | 69.2 | Low | 63.8 | Low | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 173.7 | -175.2 | -177.5 | -146.6 | 0 | 0 | 110.9 | R146 V704 R706 R755 E756 R761 L762 E763 | R146-E759 IonicContact NH1-OE1 2.84Å; R146-E759 IonicContact NH1-OE2 3.31Å; V704-E759 HydrophobicContact CG1-CB 4.16Å; V704-E759 HydrophobicContact CG1-CG 4.1Å; V704-E759 WeakPolarHBondContact CG1-OE1 3.36Å; V704-E759 WeakPolarHBondContact CG1-OE2 3.31Å; V704-E759 HydrophobicContact CG2-CB 4.16Å; V704-E759 WeakPolarHBondContact CG2-OE2 3.16Å; R706-E759 IonicContact CZ-OE1 3.71Å; R706-E759 IonicContact NE-OE1 3.67Å; R706-E759 PolarHBondContact NE-OE1 3.04Å; R706-E759 IonicContact NH2-OE1 2.72Å; R706-E759 PolarHBondContact NH2-OE1 3.29Å; R755-E759 PolarHBondContact O-N 3.1Å; E756-E759 PolarHBondContact O-N 2.93Å; E756-E759 VanDerWaalsContact O-N 3.14Å; E759-R761 VanDerWaalsContact C-N 3.33Å; E759-R761 PolarHBondContact O-N 3.3Å; E759-L762 PolarHBondContact O-N 3.15Å; E759-L762 VanDerWaalsContact O-N 3.16Å; E759-E763 HydrophobicContact CG-CG 4.34Å; E759-E763 PolarHBondContact O-N 3.41Å |
| 760 | Q | 66.5 | Low | 63.6 | Low | 51 Ų | 51 | 73.7 Ų | 73.7 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 178.4 | -72.1 | 171.2 | -1 | 0 | 0 | 111.7 | L126 E756 L758 E763 K764 | L126-Q760 PolarHBondContact O-NE2 3.47Å; L126-Q760 PolarHBondContact O-OE1 3.47Å; E756-Q760 WeakPolarHBondContact O-CB 3.48Å; E756-Q760 WeakPolarHBondContact O-CG 3.43Å; E756-Q760 PolarHBondContact O-N 3.09Å; L758-Q760 PolarHBondContact O-N 3.31Å; Q760-E763 PolarHBondContact O-N 2.95Å; Q760-K764 VanDerWaalsContact O-CB 3.25Å; Q760-K764 WeakPolarHBondContact O-CB 3.43Å; Q760-K764 PolarHBondContact O-N 3.26Å |
| 761 | R | 67.3 | Low | 63.3 | Low | 149 Ų | 149 | 75.8 Ų | 75.8 | 56% | 0.562 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 175 | -79.1 | -177.4 | -67.1 | 164.9 | -1.4 | 112.3 | S757 L758 E759 K764 Q765 | S757-R761 VanDerWaalsContact O-CG 3.27Å; S757-R761 WeakPolarHBondContact O-CG 3.42Å; S757-R761 PolarHBondContact O-N 2.91Å; S757-R761 PolarHBondContact O-NE 3.02Å; L758-R761 PolarHBondContact O-N 2.86Å; E759-R761 VanDerWaalsContact C-N 3.33Å; E759-R761 PolarHBondContact O-N 3.3Å; R761-K764 PolarHBondContact O-N 3.47Å; R761-Q765 WeakPolarHBondContact O-CG 2.97Å; R761-Q765 PolarHBondContact O-N 3.42Å |
| 762 | L | 68.6 | Low | 63.1 | Low | 16 Ų | 16 | 77.6 Ų | 77.6 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 177.1 | -72.7 | 171.8 | 0 | 0 | 0 | 111.6 | F711 L715 M741 L758 E759 Q765 R766 | F711-L762 HydrophobicContact CE2-CD1 4.16Å; F711-L762 HydrophobicContact CZ-CD1 4.44Å; L715-L762 HydrophobicContact CD1-CD1 4.42Å; L715-L762 HydrophobicContact CD1-CD2 4.45Å; L715-L762 HydrophobicContact CD2-CB 4.19Å; L715-L762 HydrophobicContact CD2-CD2 4.25Å; M741-L762 HydrophobicContact CE-CD2 4.27Å; M741-L762 HydrophobicContact SD-CD2 3.96Å; L758-L762 HydrophobicContact CG-CD1 4.19Å; L758-L762 WeakPolarHBondContact O-CB 3.43Å; L758-L762 VanDerWaalsContact O-CG 3.3Å; L758-L762 WeakPolarHBondContact O-CG 3.32Å; L758-L762 PolarHBondContact O-N 3.31Å; E759-L762 PolarHBondContact O-N 3.15Å; E759-L762 VanDerWaalsContact O-N 3.16Å; L762-Q765 PolarHBondContact O-N 2.86Å; L762-R766 WeakPolarHBondContact O-CB 3.36Å; L762-R766 PolarHBondContact O-N 2.79Å |
| 763 | E | 66.4 | Low | 62.8 | Low | 24 Ų | 24 | 82.5 Ų | 82.5 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 175 | -73.1 | -157.3 | 150.4 | 0 | 0 | 111.9 | H125 R146 R714 E759 Q760 R766 K767 | H125-E763 IonicContact CE1-OE2 3.62Å; H125-E763 IonicContact ND1-OE2 3.89Å; R146-E763 WeakPolarHBondContact CD-OE1 3.39Å; R146-E763 IonicContact NH1-OE1 2.73Å; R146-E763 IonicContact NH1-OE2 3.73Å; R714-E763 IonicContact NH2-OE1 3.79Å; R714-E763 PolarHBondContact NH2-OE1 3.08Å; E759-E763 HydrophobicContact CG-CG 4.34Å; E759-E763 PolarHBondContact O-N 3.41Å; Q760-E763 PolarHBondContact O-N 2.95Å; E763-R766 CarbonylContact O-C 3.5Å; E763-R766 WeakPolarHBondContact O-CB 3.45Å; E763-R766 PolarHBondContact O-N 2.91Å; E763-K767 WeakPolarHBondContact O-CB 3.27Å; E763-K767 PolarHBondContact O-N 2.73Å |
| 764 | K | 63.6 | Low | 62.6 | Low | 101 Ų | 101 | 87.3 Ų | 87.3 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 173.2 | -174.6 | 173.5 | -169.2 | 170 | 0 | 112.2 | E128 Q760 R761 R766 K767 Q768 | E128-K764 HydrophobicContact CG-CD 4.36Å; E128-K764 VanDerWaalsContact OE1-CD 3.24Å; E128-K764 WeakPolarHBondContact OE1-CD 3.22Å; E128-K764 WeakPolarHBondContact OE1-CE 3.37Å; E128-K764 WeakPolarHBondContact OE1-CG 3.39Å; E128-K764 IonicContact OE1-NZ 2.69Å; Q760-K764 VanDerWaalsContact O-CB 3.25Å; Q760-K764 WeakPolarHBondContact O-CB 3.43Å; Q760-K764 PolarHBondContact O-N 3.26Å; R761-K764 PolarHBondContact O-N 3.47Å; K764-R766 VanDerWaalsContact C-N 3.33Å; K764-K767 CarbonylContact O-C 3.47Å; K764-K767 WeakPolarHBondContact O-CA 3.49Å; K764-K767 PolarHBondContact O-N 2.75Å; K764-K767 VanDerWaalsContact O-N 3.08Å; K764-Q768 PolarHBondContact O-N 3.02Å |
| 765 | Q | 63 | Low | 62.8 | Low | 130 Ų | 130 | 90.4 Ų | 90.4 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 173.7 | -76.1 | -164.4 | -14.2 | 0 | 0 | 111.9 | R761 L762 K767 Q768 | R761-Q765 WeakPolarHBondContact O-CG 2.97Å; R761-Q765 PolarHBondContact O-N 3.42Å; L762-Q765 PolarHBondContact O-N 2.86Å; Q765-K767 VanDerWaalsContact C-N 3.3Å; Q765-K767 PolarHBondContact O-N 3.03Å; Q765-Q768 PolarHBondContact O-N 2.99Å |
| 766 | R | 61.8 | Low | 63.2 | Low | 113 Ų | 113 | 88.4 Ų | 88.4 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 168.7 | 178 | -176.7 | 170.9 | -179.1 | 1.7 | 111.2 | R714 L762 E763 K764 Q768 | R714-R766 VanDerWaalsContact CG-NH1 3.3Å; L762-R766 WeakPolarHBondContact O-CB 3.36Å; L762-R766 PolarHBondContact O-N 2.79Å; E763-R766 CarbonylContact O-C 3.5Å; E763-R766 WeakPolarHBondContact O-CB 3.45Å; E763-R766 PolarHBondContact O-N 2.91Å; K764-R766 VanDerWaalsContact C-N 3.33Å; R766-Q768 PolarHBondContact O-N 3.4Å |
| 767 | K | 50.8 | Low | 64 | Low | 80 Ų | 80 | 91.2 Ų | 91.2 | 35% | 0.348 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.7 | -10.2 | 179.3 | -99.5 | -154.8 | -176.7 | 167.6 | 0 | 114.8 | H125 E763 K764 Q765 Y769 | H125-K767 PolarHBondContact CD2-NZ 3.47Å; H125-K767 WeakPolarHBondContact NE2-CD 3.48Å; H125-K767 WeakPolarHBondContact NE2-CE 3.47Å; H125-K767 PolarHBondContact NE2-NZ 3.31Å; E763-K767 WeakPolarHBondContact O-CB 3.27Å; E763-K767 PolarHBondContact O-N 2.73Å; K764-K767 CarbonylContact O-C 3.47Å; K764-K767 WeakPolarHBondContact O-CA 3.49Å; K764-K767 PolarHBondContact O-N 2.75Å; K764-K767 VanDerWaalsContact O-N 3.08Å; Q765-K767 VanDerWaalsContact C-N 3.3Å; Q765-K767 PolarHBondContact O-N 3.03Å; K767-Y769 HydrophobicContact CB-CD2 4.33Å; K767-Y769 HydrophobicContact CG-CD2 4.08Å; K767-Y769 HydrophobicContact CG-CE2 4.09Å; K767-Y769 WeakPolarHBondContact O-CB 3.24Å; K767-Y769 PolarHBondContact O-N 3.23Å |
| 768 | Q | 52.1 | Low | 65 | Low | 149 Ų | 149 | 91.8 Ų | 91.8 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | trans | -69.3 | 58.4 | 158.8 | -72.2 | -173.5 | -13.7 | 0 | 0 | 110.2 | K764 Q765 R766 R770 | K764-Q768 PolarHBondContact O-N 3.02Å; Q765-Q768 PolarHBondContact O-N 2.99Å; R766-Q768 PolarHBondContact O-N 3.4Å; Q768-R770 PolarHBondContact O-N 3.06Å | ||
| 769 | Y | 51.2 | Low | 65.9 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 33% | 0.329 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 23.1 | 177.7 | -100.5 | -79.2 | 0 | 0 | 0 | 113.8 | K767 R771 L772 L773 | K767-Y769 HydrophobicContact CB-CD2 4.33Å; K767-Y769 HydrophobicContact CG-CD2 4.08Å; K767-Y769 HydrophobicContact CG-CE2 4.09Å; K767-Y769 WeakPolarHBondContact O-CB 3.24Å; K767-Y769 PolarHBondContact O-N 3.23Å; Y769-R771 PolarHBondContact O-N 3.02Å; Y769-L772 HydrophobicContact CD1-CB 3.44Å; Y769-L772 VanDerWaalsContact CD1-CB 3.44Å; Y769-L772 HydrophobicContact CD1-CG 4.47Å; Y769-L772 HydrophobicContact CE1-CB 3.64Å; Y769-L772 HydrophobicContact CE1-CD1 4.18Å; Y769-L772 HydrophobicContact CE1-CD2 4.13Å; Y769-L772 HydrophobicContact CE1-CG 4.19Å; Y769-L773 VanDerWaalsContact O-CB 3.23Å; Y769-L773 WeakPolarHBondContact O-CB 2.94Å; Y769-L773 PolarHBondContact O-N 3.12Å |
| 770 | R | 48.7 | Very low | 67 | Low | 199 Ų | 199 | 100 Ų | 100 | 75% | 0.751 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -54 | -45.1 | 170.9 | -83.1 | -174.5 | -177.5 | 165.7 | 1.8 | 109.4 | Q768 Q774 | Q768-R770 PolarHBondContact O-N 3.06Å; R770-Q774 WeakPolarHBondContact O-CA 3.42Å; R770-Q774 WeakPolarHBondContact O-CB 3.44Å; R770-Q774 WeakPolarHBondContact O-CG 3.33Å; R770-Q774 PolarHBondContact O-N 3.15Å; R770-Q774 PolarHBondContact O-OE1 3.34Å |
| 771 | R | 53.5 | Low | 68.3 | Low | 195 Ų | 195 | 104.6 Ų | 104.6 | 74% | 0.736 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.8 | -48 | -177.7 | -69.2 | -177.1 | -178.3 | 170.4 | 1.2 | 114.3 | Y769 Q774 C775 | Y769-R771 PolarHBondContact O-N 3.02Å; R771-Q774 PolarHBondContact O-N 3.46Å; R771-C775 WeakPolarHBondContact O-CB 2.87Å; R771-C775 PolarHBondContact O-N 2.86Å; R771-C775 PolarHBondContact O-SG 2.8Å |
| 772 | L | 57.5 | Low | 69.6 | Low | 93 Ų | 93 | 102.1 Ų | 102.1 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.9 | -38.7 | -177.9 | -129.5 | 125.4 | 0 | 0 | 0 | 112.7 | Y769 Q774 C775 I776 | Y769-L772 HydrophobicContact CD1-CB 3.44Å; Y769-L772 VanDerWaalsContact CD1-CB 3.44Å; Y769-L772 HydrophobicContact CD1-CG 4.47Å; Y769-L772 HydrophobicContact CE1-CB 3.64Å; Y769-L772 HydrophobicContact CE1-CD1 4.18Å; Y769-L772 HydrophobicContact CE1-CD2 4.13Å; Y769-L772 HydrophobicContact CE1-CG 4.19Å; L772-Q774 VanDerWaalsContact C-N 3.34Å; L772-C775 WeakPolarHBondContact O-CB 3.23Å; L772-C775 PolarHBondContact O-N 3.48Å; L772-I776 HydrophobicContact CD2-CD1 4.28Å; L772-I776 WeakPolarHBondContact O-CG1 3.09Å; L772-I776 PolarHBondContact O-N 2.8Å |
| 773 | L | 61.6 | Low | 70.8 | Confident | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 171.7 | -71.4 | 166.4 | 0 | 0 | 0 | 110.7 | Y769 I776 V777 | Y769-L773 VanDerWaalsContact O-CB 3.23Å; Y769-L773 WeakPolarHBondContact O-CB 2.94Å; Y769-L773 PolarHBondContact O-N 3.12Å; L773-I776 PolarHBondContact O-N 2.78Å; L773-V777 VanDerWaalsContact O-CB 3.31Å; L773-V777 WeakPolarHBondContact O-CB 3.49Å; L773-V777 WeakPolarHBondContact O-CG2 3.44Å; L773-V777 PolarHBondContact O-N 3.25Å |
| 774 | Q | 67 | Low | 72.1 | Confident | 104 Ų | 104 | 115 Ų | 115 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 170.7 | -76 | 161.3 | -5.5 | 0 | 0 | 110.9 | R770 R771 L772 I776 V777 V778 | R770-Q774 WeakPolarHBondContact O-CA 3.42Å; R770-Q774 WeakPolarHBondContact O-CB 3.44Å; R770-Q774 WeakPolarHBondContact O-CG 3.33Å; R770-Q774 PolarHBondContact O-N 3.15Å; R770-Q774 PolarHBondContact O-OE1 3.34Å; R771-Q774 PolarHBondContact O-N 3.46Å; L772-Q774 VanDerWaalsContact C-N 3.34Å; Q774-I776 PolarHBondContact O-N 2.74Å; Q774-V777 PolarHBondContact O-N 2.81Å; Q774-V778 VanDerWaalsContact O-CB 3.24Å; Q774-V778 WeakPolarHBondContact O-CB 3.22Å; Q774-V778 WeakPolarHBondContact O-CG2 3.48Å; Q774-V778 PolarHBondContact O-N 3.1Å |
| 775 | C | 73.6 | Confident | 73.5 | Confident | 70 Ų | 70 | 112.9 Ų | 112.9 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.4 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | R771 L772 V778 I779 | R771-C775 WeakPolarHBondContact O-CB 2.87Å; R771-C775 PolarHBondContact O-N 2.86Å; R771-C775 PolarHBondContact O-SG 2.8Å; L772-C775 WeakPolarHBondContact O-CB 3.23Å; L772-C775 PolarHBondContact O-N 3.48Å; C775-V778 PolarHBondContact O-N 2.83Å; C775-I779 WeakPolarHBondContact O-CB 3.2Å; C775-I779 WeakPolarHBondContact O-CD1 3.17Å; C775-I779 WeakPolarHBondContact O-CG1 3.48Å; C775-I779 PolarHBondContact O-N 3.3Å |
| 776 | I | 80.8 | Confident | 75.1 | Confident | 73 Ų | 73 | 112.7 Ų | 112.7 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.6 | -68.4 | 167.1 | 0 | 0 | 0 | 110.4 | L772 L773 Q774 V778 I779 Q780 | L772-I776 HydrophobicContact CD2-CD1 4.28Å; L772-I776 WeakPolarHBondContact O-CG1 3.09Å; L772-I776 PolarHBondContact O-N 2.8Å; L773-I776 PolarHBondContact O-N 2.78Å; Q774-I776 PolarHBondContact O-N 2.74Å; I776-V778 VanDerWaalsContact C-N 3.3Å; I776-V778 PolarHBondContact O-N 3.42Å; I776-I779 PolarHBondContact O-N 2.78Å; I776-Q780 HydrophobicContact CG2-CG 4.17Å; I776-Q780 VanDerWaalsContact O-CB 3.29Å; I776-Q780 WeakPolarHBondContact O-CB 3.07Å; I776-Q780 VanDerWaalsContact O-CG 3.22Å; I776-Q780 WeakPolarHBondContact O-CG 3.31Å; I776-Q780 PolarHBondContact O-N 3.32Å |
| 777 | V | 84.8 | Confident | 76.7 | Confident | 85 Ų | 85 | 112.6 Ų | 112.6 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 177.3 | 169.5 | 0 | 0 | 0 | 0 | 111 | L773 Q774 K781 | L773-V777 VanDerWaalsContact O-CB 3.31Å; L773-V777 WeakPolarHBondContact O-CB 3.49Å; L773-V777 WeakPolarHBondContact O-CG2 3.44Å; L773-V777 PolarHBondContact O-N 3.25Å; Q774-V777 PolarHBondContact O-N 2.81Å; V777-K781 WeakPolarHBondContact O-CB 3.24Å; V777-K781 PolarHBondContact O-N 3.28Å |
| 778 | V | 87.3 | Confident | 78.8 | Confident | 75 Ų | 75 | 116 Ų | 116 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 176 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | Q774 C775 I776 K781 N782 | Q774-V778 VanDerWaalsContact O-CB 3.24Å; Q774-V778 WeakPolarHBondContact O-CB 3.22Å; Q774-V778 WeakPolarHBondContact O-CG2 3.48Å; Q774-V778 PolarHBondContact O-N 3.1Å; C775-V778 PolarHBondContact O-N 2.83Å; I776-V778 VanDerWaalsContact C-N 3.3Å; I776-V778 PolarHBondContact O-N 3.42Å; V778-K781 PolarHBondContact O-N 3.45Å; V778-N782 WeakPolarHBondContact CG1-ND2 3.29Å; V778-N782 VanDerWaalsContact O-CB 3.27Å; V778-N782 WeakPolarHBondContact O-CB 3.27Å; V778-N782 PolarHBondContact O-N 3.27Å; V778-N782 PolarHBondContact O-ND2 3.35Å |
| 779 | I | 89.8 | Confident | 80.8 | Confident | 113 Ų | 113 | 117.5 Ų | 117.5 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -49.3 | 176 | -68.9 | 163.9 | 0 | 0 | 0 | 110 | C775 I776 K781 N782 Y783 | C775-I779 WeakPolarHBondContact O-CB 3.2Å; C775-I779 WeakPolarHBondContact O-CD1 3.17Å; C775-I779 WeakPolarHBondContact O-CG1 3.48Å; C775-I779 PolarHBondContact O-N 3.3Å; I776-I779 PolarHBondContact O-N 2.78Å; I779-K781 PolarHBondContact O-N 3.48Å; I779-N782 PolarHBondContact O-N 2.83Å; I779-Y783 VanDerWaalsContact O-CB 3.27Å; I779-Y783 WeakPolarHBondContact O-CB 3.28Å; I779-Y783 PolarHBondContact O-N 2.86Å |
| 780 | Q | 91.4 | Very high | 82.9 | Confident | 93 Ų | 93 | 121 Ų | 121 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.6 | -74.1 | 177.9 | -9.7 | 0 | 0 | 111.7 | I776 R784 | I776-Q780 HydrophobicContact CG2-CG 4.17Å; I776-Q780 VanDerWaalsContact O-CB 3.29Å; I776-Q780 WeakPolarHBondContact O-CB 3.07Å; I776-Q780 VanDerWaalsContact O-CG 3.22Å; I776-Q780 WeakPolarHBondContact O-CG 3.31Å; I776-Q780 PolarHBondContact O-N 3.32Å; Q780-R784 VanDerWaalsContact O-CB 3.31Å; Q780-R784 WeakPolarHBondContact O-CB 3.31Å; Q780-R784 WeakPolarHBondContact O-CG 3.22Å; Q780-R784 PolarHBondContact O-N 2.89Å |
| 781 | K | 93.6 | Very high | 85 | Confident | 146 Ų | 146 | 116 Ų | 116 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -49 | 176.7 | 176.6 | -174.5 | 172.7 | -176.3 | 0 | 110.8 | V777 V778 I779 R784 A785 | V777-K781 WeakPolarHBondContact O-CB 3.24Å; V777-K781 PolarHBondContact O-N 3.28Å; V778-K781 PolarHBondContact O-N 3.45Å; I779-K781 PolarHBondContact O-N 3.48Å; K781-R784 PolarHBondContact O-N 3.41Å; K781-A785 VanDerWaalsContact O-CB 3.28Å; K781-A785 WeakPolarHBondContact O-CB 3.27Å; K781-A785 PolarHBondContact O-N 2.9Å |
| 782 | N | 94 | Very high | 87 | Confident | 98 Ų | 98 | 112.6 Ų | 112.6 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | -178.4 | -73.1 | -21.6 | 0 | 0 | 0 | 111.6 | V778 I779 A785 F786 | V778-N782 WeakPolarHBondContact CG1-ND2 3.29Å; V778-N782 VanDerWaalsContact O-CB 3.27Å; V778-N782 WeakPolarHBondContact O-CB 3.27Å; V778-N782 PolarHBondContact O-N 3.27Å; V778-N782 PolarHBondContact O-ND2 3.35Å; I779-N782 PolarHBondContact O-N 2.83Å; N782-A785 PolarHBondContact O-N 3.43Å; N782-F786 VanDerWaalsContact O-CB 3.26Å; N782-F786 WeakPolarHBondContact O-CB 3.26Å; N782-F786 PolarHBondContact O-N 3.26Å |
| 783 | Y | 94 | Very high | 88.8 | Confident | 150 Ų | 150 | 111.2 Ų | 111.2 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 175.4 | 179.7 | -96.6 | 0 | 0 | 0 | 111.9 | I779 A785 F786 Y787 | I779-Y783 VanDerWaalsContact O-CB 3.27Å; I779-Y783 WeakPolarHBondContact O-CB 3.28Å; I779-Y783 PolarHBondContact O-N 2.86Å; Y783-A785 VanDerWaalsContact C-N 3.34Å; Y783-A785 PolarHBondContact O-N 2.84Å; Y783-F786 PolarHBondContact O-N 2.85Å; Y783-Y787 WeakPolarHBondContact O-CB 3.1Å; Y783-Y787 PolarHBondContact O-N 3.42Å |
| 784 | R | 94.1 | Very high | 90.4 | Very high | 161 Ų | 161 | 111.7 Ų | 111.7 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 175.9 | -74.3 | 175.4 | -179.5 | -176 | 1.8 | 111.1 | Q780 K781 Y787 W788 | Q780-R784 VanDerWaalsContact O-CB 3.31Å; Q780-R784 WeakPolarHBondContact O-CB 3.31Å; Q780-R784 WeakPolarHBondContact O-CG 3.22Å; Q780-R784 PolarHBondContact O-N 2.89Å; K781-R784 PolarHBondContact O-N 3.41Å; R784-Y787 PolarHBondContact O-N 3.45Å; R784-W788 WeakPolarHBondContact O-CB 3.5Å; R784-W788 PolarHBondContact O-N 2.99Å |
| 785 | A | 94.1 | Very high | 91.8 | Very high | 55 Ų | 55 | 112.2 Ų | 112.2 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K781 N782 Y783 R789 | K781-A785 VanDerWaalsContact O-CB 3.28Å; K781-A785 WeakPolarHBondContact O-CB 3.27Å; K781-A785 PolarHBondContact O-N 2.9Å; N782-A785 PolarHBondContact O-N 3.43Å; Y783-A785 VanDerWaalsContact C-N 3.34Å; Y783-A785 PolarHBondContact O-N 2.84Å; A785-R789 WeakPolarHBondContact O-CB 3.35Å; A785-R789 PolarHBondContact O-N 2.93Å |
| 786 | F | 95.1 | Very high | 92.8 | Very high | 126 Ų | 126 | 115.5 Ų | 115.5 | 55% | 0.553 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -49.1 | 176.3 | 175.4 | -99.2 | 0 | 0 | 0 | 112 | N782 Y783 R789 R790 | N782-F786 VanDerWaalsContact O-CB 3.26Å; N782-F786 WeakPolarHBondContact O-CB 3.26Å; N782-F786 PolarHBondContact O-N 3.26Å; Y783-F786 PolarHBondContact O-N 2.85Å; F786-R789 PolarHBondContact O-N 3.35Å; F786-R790 WeakPolarHBondContact O-CB 3.38Å; F786-R790 PolarHBondContact O-N 2.9Å |
| 787 | Y | 95.5 | Very high | 93.6 | Very high | 111 Ų | 111 | 120.8 Ų | 120.8 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -51.6 | 179.4 | 178.1 | -92.4 | 0 | 0 | 0 | 111.9 | Y783 R784 R790 K791 | Y783-Y787 WeakPolarHBondContact O-CB 3.1Å; Y783-Y787 PolarHBondContact O-N 3.42Å; R784-Y787 PolarHBondContact O-N 3.45Å; Y787-R790 PolarHBondContact O-N 3.4Å; Y787-K791 HydrophobicContact CE1-CD 4.41Å; Y787-K791 PolarHBondContact O-N 3.44Å |
| 788 | W | 95.3 | Very high | 94.1 | Very high | 153 Ų | 153 | 119.6 Ų | 119.6 | 58% | 0.58 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.9 | -37.2 | -179.2 | -72.4 | 117.9 | 0 | 0 | 0 | 112.6 | R784 K791 F792 | R784-W788 WeakPolarHBondContact O-CB 3.5Å; R784-W788 PolarHBondContact O-N 2.99Å; W788-K791 HydrophobicContact CE3-CD 4.14Å; W788-K791 HydrophobicContact CZ3-CD 3.88Å; W788-K791 PolarHBondContact O-N 2.85Å; W788-F792 VanDerWaalsContact O-CB 3.32Å; W788-F792 WeakPolarHBondContact O-CB 3.32Å; W788-F792 PolarHBondContact O-N 3.36Å |
| 789 | R | 94.4 | Very high | 94.4 | Very high | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 173.6 | -177.7 | 177.7 | 179.1 | 116.5 | -2.9 | 111.1 | A785 F786 F792 L793 | A785-R789 WeakPolarHBondContact O-CB 3.35Å; A785-R789 PolarHBondContact O-N 2.93Å; F786-R789 PolarHBondContact O-N 3.35Å; R789-F792 PolarHBondContact O-N 3Å; R789-L793 HydrophobicContact CG-CD1 4.06Å; R789-L793 HydrophobicContact CG-CG 4.46Å; R789-L793 WeakPolarHBondContact O-CB 3.26Å; R789-L793 VanDerWaalsContact O-CG 3.26Å; R789-L793 WeakPolarHBondContact O-CG 3.43Å; R789-L793 PolarHBondContact O-N 2.91Å |
| 790 | R | 94.2 | Very high | 94.7 | Very high | 158 Ų | 158 | 117 Ų | 117 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -45.8 | 176.9 | -179.5 | 174.8 | 152.7 | 178 | -6.1 | 111.4 | F786 Y787 L793 L794 | F786-R790 WeakPolarHBondContact O-CB 3.38Å; F786-R790 PolarHBondContact O-N 2.9Å; Y787-R790 PolarHBondContact O-N 3.4Å; R790-L793 PolarHBondContact O-N 3.39Å; R790-L794 HydrophobicContact CG-CD1 4.28Å; R790-L794 PolarHBondContact O-N 3.41Å |
| 791 | K | 94.5 | Very high | 94.9 | Very high | 93 Ų | 93 | 115.4 Ų | 115.4 | 40% | 0.404 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.3 | -167.9 | 171.7 | -178.8 | 175.6 | 0 | 112.5 | Y787 W788 L794 L795 | Y787-K791 HydrophobicContact CE1-CD 4.41Å; Y787-K791 PolarHBondContact O-N 3.44Å; W788-K791 HydrophobicContact CE3-CD 4.14Å; W788-K791 HydrophobicContact CZ3-CD 3.88Å; W788-K791 PolarHBondContact O-N 2.85Å; K791-L794 PolarHBondContact O-N 3.06Å; K791-L795 WeakPolarHBondContact O-CG 3.45Å; K791-L795 PolarHBondContact O-N 3.42Å |
| 792 | F | 95.4 | Very high | 94.9 | Very high | 124 Ų | 124 | 115.2 Ų | 115.2 | 54% | 0.544 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176 | 173.4 | -100.5 | 0 | 0 | 0 | 112.1 | W788 R789 L794 L795 R796 | W788-F792 VanDerWaalsContact O-CB 3.32Å; W788-F792 WeakPolarHBondContact O-CB 3.32Å; W788-F792 PolarHBondContact O-N 3.36Å; R789-F792 PolarHBondContact O-N 3Å; F792-L794 VanDerWaalsContact C-N 3.34Å; F792-L794 PolarHBondContact O-N 3.04Å; F792-L795 PolarHBondContact O-N 3.3Å; F792-R796 WeakPolarHBondContact O-CB 3.37Å; F792-R796 PolarHBondContact O-N 2.91Å |
| 793 | L | 95.3 | Very high | 94.9 | Very high | 65 Ų | 65 | 114.7 Ų | 114.7 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177 | -72.3 | 172.3 | 0 | 0 | 0 | 110.7 | R789 R790 L795 R796 W797 | R789-L793 HydrophobicContact CG-CD1 4.06Å; R789-L793 HydrophobicContact CG-CG 4.46Å; R789-L793 WeakPolarHBondContact O-CB 3.26Å; R789-L793 VanDerWaalsContact O-CG 3.26Å; R789-L793 WeakPolarHBondContact O-CG 3.43Å; R789-L793 PolarHBondContact O-N 2.91Å; R790-L793 PolarHBondContact O-N 3.39Å; L793-L795 PolarHBondContact O-N 3.49Å; L793-R796 PolarHBondContact O-N 3.39Å; L793-W797 WeakPolarHBondContact O-CB 3.42Å; L793-W797 PolarHBondContact O-N 3.15Å |
| 794 | L | 95.4 | Very high | 95 | Very high | 114 Ų | 114 | 115.5 Ų | 115.5 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.4 | -47.9 | 175 | -80.2 | 159.8 | 0 | 0 | 0 | 112.4 | R790 K791 F792 R796 W797 A798 | R790-L794 HydrophobicContact CG-CD1 4.28Å; R790-L794 PolarHBondContact O-N 3.41Å; K791-L794 PolarHBondContact O-N 3.06Å; F792-L794 VanDerWaalsContact C-N 3.34Å; F792-L794 PolarHBondContact O-N 3.04Å; L794-R796 PolarHBondContact O-N 3.43Å; L794-W797 PolarHBondContact O-N 3Å; L794-A798 WeakPolarHBondContact O-CB 3.42Å; L794-A798 PolarHBondContact O-N 3.35Å |
| 795 | L | 95.2 | Very high | 95 | Very high | 114 Ų | 114 | 116.9 Ų | 116.9 | 60% | 0.597 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -42 | 177.4 | -73.3 | 169.7 | 0 | 0 | 0 | 112.3 | K791 F792 L793 A798 A799 | K791-L795 WeakPolarHBondContact O-CG 3.45Å; K791-L795 PolarHBondContact O-N 3.42Å; F792-L795 PolarHBondContact O-N 3.3Å; L793-L795 PolarHBondContact O-N 3.49Å; L795-A798 PolarHBondContact O-N 3.24Å; L795-A799 WeakPolarHBondContact O-CB 3.34Å; L795-A799 PolarHBondContact O-N 2.86Å |
| 796 | R | 95.6 | Very high | 95 | Very high | 140 Ų | 140 | 118.1 Ų | 118.1 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.9 | -178.9 | 179.3 | 171.4 | -169.4 | -2.5 | 111.5 | F792 L793 L794 A799 L800 | F792-R796 WeakPolarHBondContact O-CB 3.37Å; F792-R796 PolarHBondContact O-N 2.91Å; L793-R796 PolarHBondContact O-N 3.39Å; L794-R796 PolarHBondContact O-N 3.43Å; R796-A799 PolarHBondContact O-N 3.48Å; R796-L800 HydrophobicContact CG-CD1 3.97Å; R796-L800 HydrophobicContact CG-CG 4.4Å; R796-L800 WeakPolarHBondContact O-CB 3.37Å; R796-L800 VanDerWaalsContact O-CG 3.3Å; R796-L800 WeakPolarHBondContact O-CG 3.46Å; R796-L800 PolarHBondContact O-N 3.46Å |
| 797 | W | 96.1 | Very high | 94.9 | Very high | 183 Ų | 183 | 120.4 Ų | 120.4 | 69% | 0.693 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 176.6 | -88.3 | 90.1 | 0 | 0 | 0 | 111.6 | L793 L794 T801 | L793-W797 WeakPolarHBondContact O-CB 3.42Å; L793-W797 PolarHBondContact O-N 3.15Å; L794-W797 PolarHBondContact O-N 3Å; W797-T801 VanDerWaalsContact O-CB 3.3Å; W797-T801 WeakPolarHBondContact O-CB 3.44Å; W797-T801 PolarHBondContact O-N 3.29Å; W797-T801 PolarHBondContact O-OG1 2.95Å |
| 798 | A | 94.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 116.1 Ų | 116.1 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L794 L795 T801 F802 | L794-A798 WeakPolarHBondContact O-CB 3.42Å; L794-A798 PolarHBondContact O-N 3.35Å; L795-A798 PolarHBondContact O-N 3.24Å; A798-T801 PolarHBondContact O-N 3.38Å; A798-F802 WeakPolarHBondContact O-CB 3.44Å; A798-F802 PolarHBondContact O-N 2.86Å |
| 799 | A | 95.2 | Very high | 94.7 | Very high | 48 Ų | 48 | 115.7 Ų | 115.7 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L795 R796 T801 F802 Q803 | L795-A799 WeakPolarHBondContact O-CB 3.34Å; L795-A799 PolarHBondContact O-N 2.86Å; R796-A799 PolarHBondContact O-N 3.48Å; A799-T801 VanDerWaalsContact C-N 3.34Å; A799-T801 PolarHBondContact O-N 3.08Å; A799-F802 PolarHBondContact O-N 3.28Å; A799-Q803 WeakPolarHBondContact O-CB 3.39Å; A799-Q803 VanDerWaalsContact O-CG 3.28Å; A799-Q803 WeakPolarHBondContact O-CG 3.41Å; A799-Q803 PolarHBondContact O-N 2.89Å |
| 800 | L | 95.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 111.6 Ų | 111.6 | 45% | 0.45 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.5 | -74.1 | 173.8 | 0 | 0 | 0 | 111.8 | R796 Q803 K804 | R796-L800 HydrophobicContact CG-CD1 3.97Å; R796-L800 HydrophobicContact CG-CG 4.4Å; R796-L800 WeakPolarHBondContact O-CB 3.37Å; R796-L800 VanDerWaalsContact O-CG 3.3Å; R796-L800 WeakPolarHBondContact O-CG 3.46Å; R796-L800 PolarHBondContact O-N 3.46Å; L800-Q803 PolarHBondContact O-N 3.39Å; L800-K804 VanDerWaalsContact O-CB 3.22Å; L800-K804 WeakPolarHBondContact O-CB 3.47Å; L800-K804 PolarHBondContact O-N 3.27Å |
| 801 | T | 95.3 | Very high | 94.6 | Very high | 60 Ų | 60 | 106.8 Ų | 106.8 | 37% | 0.368 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | W797 A798 A799 K804 R805 | W797-T801 VanDerWaalsContact O-CB 3.3Å; W797-T801 WeakPolarHBondContact O-CB 3.44Å; W797-T801 PolarHBondContact O-N 3.29Å; W797-T801 PolarHBondContact O-OG1 2.95Å; A798-T801 PolarHBondContact O-N 3.38Å; A799-T801 VanDerWaalsContact C-N 3.34Å; A799-T801 PolarHBondContact O-N 3.08Å; T801-K804 PolarHBondContact O-N 3Å; T801-R805 WeakPolarHBondContact O-CB 3.39Å; T801-R805 WeakPolarHBondContact O-CG 3.3Å; T801-R805 PolarHBondContact O-N 3.49Å |
| 802 | F | 94.6 | Very high | 94.4 | Very high | 141 Ų | 141 | 110.6 Ų | 110.6 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -50.4 | 175.8 | -178.2 | -97.4 | 0 | 0 | 0 | 111.9 | A798 A799 K804 R805 L806 | A798-F802 WeakPolarHBondContact O-CB 3.44Å; A798-F802 PolarHBondContact O-N 2.86Å; A799-F802 PolarHBondContact O-N 3.28Å; F802-K804 VanDerWaalsContact C-N 3.35Å; F802-K804 PolarHBondContact O-N 3.02Å; F802-R805 PolarHBondContact O-N 2.93Å; F802-L806 HydrophobicContact CE1-CD2 4.3Å; F802-L806 WeakPolarHBondContact O-CB 3.46Å; F802-L806 PolarHBondContact O-N 3.48Å |
| 803 | Q | 94.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 111.1 Ų | 111.1 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178 | -73.3 | 175.8 | -11.7 | 0 | 0 | 112 | A799 L800 L806 R807 | A799-Q803 WeakPolarHBondContact O-CB 3.39Å; A799-Q803 VanDerWaalsContact O-CG 3.28Å; A799-Q803 WeakPolarHBondContact O-CG 3.41Å; A799-Q803 PolarHBondContact O-N 2.89Å; L800-Q803 PolarHBondContact O-N 3.39Å; Q803-L806 PolarHBondContact O-N 3.12Å; Q803-R807 WeakPolarHBondContact O-CB 3.43Å; Q803-R807 VanDerWaalsContact O-CG 3.31Å; Q803-R807 WeakPolarHBondContact O-CG 3.4Å; Q803-R807 PolarHBondContact O-N 2.91Å |
| 804 | K | 95 | Very high | 93.8 | Very high | 167 Ų | 167 | 110 Ų | 110 | 73% | 0.726 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 176.2 | -177.8 | 179.9 | 178.7 | -179.7 | 0 | 111.3 | L800 T801 F802 G808 | L800-K804 VanDerWaalsContact O-CB 3.22Å; L800-K804 WeakPolarHBondContact O-CB 3.47Å; L800-K804 PolarHBondContact O-N 3.27Å; T801-K804 PolarHBondContact O-N 3Å; F802-K804 VanDerWaalsContact C-N 3.35Å; F802-K804 PolarHBondContact O-N 3.02Å; K804-G808 PolarHBondContact O-N 3.06Å |
| 805 | R | 93.4 | Very high | 93.6 | Very high | 190 Ų | 190 | 108.5 Ų | 108.5 | 72% | 0.717 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 177.6 | -75.5 | -177 | 178.7 | -179.3 | 0.6 | 111.8 | T801 F802 G808 R809 | T801-R805 WeakPolarHBondContact O-CB 3.39Å; T801-R805 WeakPolarHBondContact O-CG 3.3Å; T801-R805 PolarHBondContact O-N 3.49Å; F802-R805 PolarHBondContact O-N 2.93Å; R805-G808 PolarHBondContact O-N 3.29Å; R805-R809 WeakPolarHBondContact O-CB 3.3Å; R805-R809 PolarHBondContact O-N 3.45Å |
| 806 | L | 94.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 104.3 Ų | 104.3 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -49.3 | 179 | -174.9 | 65.5 | 0 | 0 | 0 | 111.9 | F802 Q803 G808 R809 L810 | F802-L806 HydrophobicContact CE1-CD2 4.3Å; F802-L806 WeakPolarHBondContact O-CB 3.46Å; F802-L806 PolarHBondContact O-N 3.48Å; Q803-L806 PolarHBondContact O-N 3.12Å; L806-G808 VanDerWaalsContact C-N 3.31Å; L806-G808 PolarHBondContact O-N 3.49Å; L806-R809 WeakPolarHBondContact O-CB 3.44Å; L806-R809 PolarHBondContact O-N 2.95Å; L806-R809 VanDerWaalsContact O-N 3.11Å; L806-L810 HydrophobicContact CG-CD1 4.3Å; L806-L810 WeakPolarHBondContact O-CG 3.22Å; L806-L810 PolarHBondContact O-N 2.94Å |
| 807 | R | 94.7 | Very high | 92.7 | Very high | 173 Ų | 173 | 105.5 Ų | 105.5 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58 | -44.3 | 175.5 | -72.8 | 177.5 | -174.8 | 166.4 | 2.7 | 111.2 | Q803 R809 L810 A811 | Q803-R807 WeakPolarHBondContact O-CB 3.43Å; Q803-R807 VanDerWaalsContact O-CG 3.31Å; Q803-R807 WeakPolarHBondContact O-CG 3.4Å; Q803-R807 PolarHBondContact O-N 2.91Å; R807-R809 VanDerWaalsContact C-N 3.34Å; R807-R809 PolarHBondContact O-N 3.39Å; R807-L810 PolarHBondContact O-N 3.37Å; R807-A811 WeakPolarHBondContact O-CB 3.28Å; R807-A811 PolarHBondContact O-N 2.96Å |
| 808 | G | 93.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 102 Ų | 102 | 22% | 0.216 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K804 R805 L806 R812 | K804-G808 PolarHBondContact O-N 3.06Å; R805-G808 PolarHBondContact O-N 3.29Å; L806-G808 VanDerWaalsContact C-N 3.31Å; L806-G808 PolarHBondContact O-N 3.49Å; G808-R812 WeakPolarHBondContact O-CB 3.4Å; G808-R812 WeakPolarHBondContact O-CG 3.5Å; G808-R812 PolarHBondContact O-N 3.12Å |
| 809 | R | 93.2 | Very high | 91.7 | Very high | 144 Ų | 144 | 103.6 Ų | 103.6 | 54% | 0.543 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 175.7 | -171 | 179.6 | -173.3 | 179.1 | 3.4 | 112 | R805 L806 R807 R813 | R805-R809 WeakPolarHBondContact O-CB 3.3Å; R805-R809 PolarHBondContact O-N 3.45Å; L806-R809 WeakPolarHBondContact O-CB 3.44Å; L806-R809 PolarHBondContact O-N 2.95Å; L806-R809 VanDerWaalsContact O-N 3.11Å; R807-R809 VanDerWaalsContact C-N 3.34Å; R807-R809 PolarHBondContact O-N 3.39Å; R809-R813 WeakPolarHBondContact O-CG 3.31Å; R809-R813 PolarHBondContact O-N 3.01Å |
| 810 | L | 93.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 177.4 | -70.8 | 172.4 | 0 | 0 | 0 | 111.6 | L806 R807 R812 R813 A814 | L806-L810 HydrophobicContact CG-CD1 4.3Å; L806-L810 WeakPolarHBondContact O-CG 3.22Å; L806-L810 PolarHBondContact O-N 2.94Å; R807-L810 PolarHBondContact O-N 3.37Å; L810-R812 PolarHBondContact O-N 3.4Å; L810-R813 PolarHBondContact O-N 3.44Å; L810-A814 PolarHBondContact O-N 3.4Å |
| 811 | A | 91.8 | Very high | 90.5 | Very high | 56 Ų | 56 | 108.1 Ų | 108.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R807 R813 A814 V815 | R807-A811 WeakPolarHBondContact O-CB 3.28Å; R807-A811 PolarHBondContact O-N 2.96Å; A811-R813 VanDerWaalsContact C-N 3.34Å; A811-R813 PolarHBondContact O-N 3.14Å; A811-A814 PolarHBondContact O-N 3.17Å; A811-V815 WeakPolarHBondContact O-CG2 3.49Å; A811-V815 PolarHBondContact O-N 2.72Å |
| 812 | R | 90.2 | Very high | 89.9 | Confident | 174 Ų | 174 | 112.6 Ų | 112.6 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -39.1 | 175 | -76.3 | -173.2 | -69.7 | -90.2 | 2.9 | 112.8 | G808 L810 G816 | G808-R812 WeakPolarHBondContact O-CB 3.4Å; G808-R812 WeakPolarHBondContact O-CG 3.5Å; G808-R812 PolarHBondContact O-N 3.12Å; L810-R812 PolarHBondContact O-N 3.4Å; R812-G816 PolarHBondContact O-N 3.18Å |
| 813 | R | 89.1 | Confident | 89.2 | Confident | 134 Ų | 134 | 111.1 Ų | 111.1 | 51% | 0.506 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 173.7 | -79.6 | -179.5 | 173.3 | 173.5 | -5 | 112.9 | R809 L810 A811 R817 | R809-R813 WeakPolarHBondContact O-CG 3.31Å; R809-R813 PolarHBondContact O-N 3.01Å; L810-R813 PolarHBondContact O-N 3.44Å; A811-R813 VanDerWaalsContact C-N 3.34Å; A811-R813 PolarHBondContact O-N 3.14Å; R813-R817 PolarHBondContact O-N 3.36Å; R813-R817 VanDerWaalsContact O-N 3.09Å |
| 814 | A | 90.2 | Very high | 88.5 | Confident | 43 Ų | 43 | 115.1 Ų | 115.1 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L810 A811 G816 R817 L818 | L810-A814 PolarHBondContact O-N 3.4Å; A811-A814 PolarHBondContact O-N 3.17Å; A814-G816 VanDerWaalsContact C-N 3.34Å; A814-G816 PolarHBondContact O-N 3.02Å; A814-R817 PolarHBondContact O-N 3.17Å; A814-L818 WeakPolarHBondContact O-CG 3.4Å; A814-L818 PolarHBondContact O-N 3.28Å |
| 815 | V | 89.7 | Confident | 87.8 | Confident | 81 Ų | 81 | 112.1 Ų | 112.1 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A811 R817 L818 L819 | A811-V815 WeakPolarHBondContact O-CG2 3.49Å; A811-V815 PolarHBondContact O-N 2.72Å; V815-R817 VanDerWaalsContact C-N 3.35Å; V815-R817 PolarHBondContact O-N 3.47Å; V815-L818 PolarHBondContact O-N 3.22Å; V815-L819 HydrophobicContact CG1-CD1 3.9Å; V815-L819 HydrophobicContact CG1-CG 4.29Å; V815-L819 WeakPolarHBondContact O-CB 3.38Å; V815-L819 WeakPolarHBondContact O-CG 3.43Å; V815-L819 PolarHBondContact O-N 3.43Å |
| 816 | G | 85.7 | Confident | 87 | Confident | 26 Ų | 26 | 106.3 Ų | 106.3 | 27% | 0.268 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R812 A814 L819 E820 | R812-G816 PolarHBondContact O-N 3.18Å; A814-G816 VanDerWaalsContact C-N 3.34Å; A814-G816 PolarHBondContact O-N 3.02Å; G816-L819 PolarHBondContact O-N 3.41Å; G816-E820 WeakPolarHBondContact O-CG 3.45Å; G816-E820 PolarHBondContact O-N 3.33Å |
| 817 | R | 86 | Confident | 85.9 | Confident | 166 Ų | 166 | 105.2 Ų | 105.2 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 175.6 | -78.4 | -170.7 | -87.1 | -175.2 | -3.4 | 113.1 | R813 A814 V815 L819 E820 E821 | R813-R817 PolarHBondContact O-N 3.36Å; R813-R817 VanDerWaalsContact O-N 3.09Å; A814-R817 PolarHBondContact O-N 3.17Å; V815-R817 VanDerWaalsContact C-N 3.35Å; V815-R817 PolarHBondContact O-N 3.47Å; R817-L819 VanDerWaalsContact C-N 3.32Å; R817-L819 PolarHBondContact O-N 2.86Å; R817-E820 PolarHBondContact O-N 2.89Å; R817-E821 PolarHBondContact O-N 3.01Å |
| 818 | L | 87.1 | Confident | 84.8 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.6 | -35.8 | 176.5 | -70.4 | 171.6 | 0 | 0 | 0 | 112.2 | A814 V815 R822 | A814-L818 WeakPolarHBondContact O-CG 3.4Å; A814-L818 PolarHBondContact O-N 3.28Å; V815-L818 PolarHBondContact O-N 3.22Å; L818-R822 VanDerWaalsContact O-CB 3.28Å; L818-R822 WeakPolarHBondContact O-CB 3.45Å; L818-R822 PolarHBondContact O-N 3.24Å |
| 819 | L | 83.8 | Confident | 83.6 | Confident | 93 Ų | 93 | 109.2 Ų | 109.2 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 174 | -74.9 | 169.2 | 0 | 0 | 0 | 111.5 | V815 G816 R817 R822 L823 | V815-L819 HydrophobicContact CG1-CD1 3.9Å; V815-L819 HydrophobicContact CG1-CG 4.29Å; V815-L819 WeakPolarHBondContact O-CB 3.38Å; V815-L819 WeakPolarHBondContact O-CG 3.43Å; V815-L819 PolarHBondContact O-N 3.43Å; G816-L819 PolarHBondContact O-N 3.41Å; R817-L819 VanDerWaalsContact C-N 3.32Å; R817-L819 PolarHBondContact O-N 2.86Å; L819-R822 PolarHBondContact O-N 2.86Å; L819-L823 WeakPolarHBondContact O-CB 3.41Å; L819-L823 VanDerWaalsContact O-CG 3.27Å; L819-L823 WeakPolarHBondContact O-CG 3.03Å; L819-L823 PolarHBondContact O-N 3.26Å |
| 820 | E | 82.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 173.3 | -75.9 | 171.5 | -170.1 | 0 | 0 | 111.8 | G816 R817 L823 R824 | G816-E820 WeakPolarHBondContact O-CG 3.45Å; G816-E820 PolarHBondContact O-N 3.33Å; R817-E820 PolarHBondContact O-N 2.89Å; E820-L823 PolarHBondContact O-N 2.83Å; E820-R824 WeakPolarHBondContact O-CB 3.45Å; E820-R824 WeakPolarHBondContact O-CG 3.44Å; E820-R824 PolarHBondContact O-N 3.2Å |
| 821 | E | 82.8 | Confident | 80.6 | Confident | 113 Ų | 113 | 110.7 Ų | 110.7 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174 | -80.4 | 179 | 173.9 | 0 | 0 | 111.9 | R817 R824 L825 | R817-E821 PolarHBondContact O-N 3.01Å; E821-R824 PolarHBondContact O-N 3.5Å; E821-L825 WeakPolarHBondContact O-CB 3.48Å; E821-L825 WeakPolarHBondContact O-CG 3.45Å; E821-L825 PolarHBondContact O-N 3.47Å |
| 822 | R | 82.4 | Confident | 79.2 | Confident | 155 Ų | 155 | 116 Ų | 116 | 59% | 0.585 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 175.5 | -177.5 | 178.6 | 173.5 | 171.2 | 2.7 | 111.7 | L818 L819 R824 L825 E826 | L818-R822 VanDerWaalsContact O-CB 3.28Å; L818-R822 WeakPolarHBondContact O-CB 3.45Å; L818-R822 PolarHBondContact O-N 3.24Å; L819-R822 PolarHBondContact O-N 2.86Å; R822-R824 VanDerWaalsContact C-N 3.31Å; R822-R824 PolarHBondContact O-N 3.49Å; R822-L825 PolarHBondContact O-N 3.4Å; R822-E826 HydrophobicContact CG-CG 4.45Å; R822-E826 IonicContact CZ-OE1 3.56Å; R822-E826 IonicContact NE-OE1 3.3Å; R822-E826 PolarHBondContact NE-OE1 3.33Å; R822-E826 IonicContact NH2-OE1 3.42Å; R822-E826 PolarHBondContact NH2-OE1 3.46Å; R822-E826 WeakPolarHBondContact O-CB 3.44Å; R822-E826 WeakPolarHBondContact O-CG 3.48Å; R822-E826 PolarHBondContact O-N 3.37Å |
| 823 | L | 81.1 | Confident | 77.7 | Confident | 110 Ų | 110 | 114.9 Ų | 114.9 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -37.5 | 176.1 | -74.9 | 167.9 | 0 | 0 | 0 | 111.6 | L819 E820 E826 A827 | L819-L823 WeakPolarHBondContact O-CB 3.41Å; L819-L823 VanDerWaalsContact O-CG 3.27Å; L819-L823 WeakPolarHBondContact O-CG 3.03Å; L819-L823 PolarHBondContact O-N 3.26Å; E820-L823 PolarHBondContact O-N 2.83Å; L823-E826 PolarHBondContact O-N 3.23Å; L823-A827 WeakPolarHBondContact O-CB 3.49Å; L823-A827 PolarHBondContact O-N 3.29Å |
| 824 | R | 78.4 | Confident | 75.9 | Confident | 171 Ų | 171 | 116.2 Ų | 116.2 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.8 | -45.6 | 172.4 | -76.8 | 178.5 | -178.2 | -177.9 | 0.8 | 112 | E820 E821 R822 A827 E828 | E820-R824 WeakPolarHBondContact O-CB 3.45Å; E820-R824 WeakPolarHBondContact O-CG 3.44Å; E820-R824 PolarHBondContact O-N 3.2Å; E821-R824 PolarHBondContact O-N 3.5Å; R822-R824 VanDerWaalsContact C-N 3.31Å; R822-R824 PolarHBondContact O-N 3.49Å; R824-A827 PolarHBondContact O-N 3.15Å; R824-E828 WeakPolarHBondContact O-CB 3.27Å; R824-E828 WeakPolarHBondContact O-CG 3.48Å; R824-E828 PolarHBondContact O-N 2.88Å |
| 825 | L | 80.4 | Confident | 73.6 | Confident | 104 Ų | 104 | 120.1 Ų | 120.1 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.6 | -35.9 | 176.9 | -72.9 | 168.3 | 0 | 0 | 0 | 112.3 | E821 R822 E828 R829 | E821-L825 WeakPolarHBondContact O-CB 3.48Å; E821-L825 WeakPolarHBondContact O-CG 3.45Å; E821-L825 PolarHBondContact O-N 3.47Å; R822-L825 PolarHBondContact O-N 3.4Å; L825-E828 PolarHBondContact O-N 3.38Å; L825-R829 WeakPolarHBondContact O-CB 3.39Å; L825-R829 WeakPolarHBondContact O-CG 3.5Å; L825-R829 PolarHBondContact O-N 3.37Å |
| 826 | E | 77.1 | Confident | 71.5 | Confident | 68 Ų | 68 | 119.9 Ų | 119.9 | 32% | 0.318 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.7 | -37.3 | 172.7 | -75.6 | 174.3 | -172.9 | 0 | 0 | 111.3 | R822 L823 R829 R830 | R822-E826 HydrophobicContact CG-CG 4.45Å; R822-E826 IonicContact CZ-OE1 3.56Å; R822-E826 IonicContact NE-OE1 3.3Å; R822-E826 PolarHBondContact NE-OE1 3.33Å; R822-E826 IonicContact NH2-OE1 3.42Å; R822-E826 PolarHBondContact NH2-OE1 3.46Å; R822-E826 WeakPolarHBondContact O-CB 3.44Å; R822-E826 WeakPolarHBondContact O-CG 3.48Å; R822-E826 PolarHBondContact O-N 3.37Å; L823-E826 PolarHBondContact O-N 3.23Å; E826-R829 PolarHBondContact O-N 3.49Å; E826-R830 WeakPolarHBondContact O-CG 3.38Å; E826-R830 PolarHBondContact O-N 3.05Å |
| 827 | A | 69.8 | Low | 69.3 | Low | 59 Ų | 59 | 127.5 Ų | 127.5 | 49% | 0.488 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.8 | -41.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L823 R824 R829 R830 A831 | L823-A827 WeakPolarHBondContact O-CB 3.49Å; L823-A827 PolarHBondContact O-N 3.29Å; R824-A827 PolarHBondContact O-N 3.15Å; A827-R829 VanDerWaalsContact C-N 3.34Å; A827-R830 PolarHBondContact O-N 3.44Å; A827-A831 WeakPolarHBondContact O-CB 3.47Å; A827-A831 PolarHBondContact O-N 3.29Å |
| 828 | E | 72.5 | Confident | 67.1 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.5 | -33.2 | 174.2 | -77.3 | -179.4 | -171 | 0 | 0 | 112.6 | R824 L825 A831 K832 | R824-E828 WeakPolarHBondContact O-CB 3.27Å; R824-E828 WeakPolarHBondContact O-CG 3.48Å; R824-E828 PolarHBondContact O-N 2.88Å; L825-E828 PolarHBondContact O-N 3.38Å; E828-A831 PolarHBondContact O-N 2.9Å; E828-K832 WeakPolarHBondContact O-CB 3.42Å; E828-K832 WeakPolarHBondContact O-CG 3.42Å; E828-K832 PolarHBondContact O-N 2.93Å; E828-K832 VanDerWaalsContact O-N 3.13Å |
| 829 | R | 68.4 | Low | 65 | Low | 175 Ų | 175 | 132.4 Ų | 132.4 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.5 | -44.8 | 171.9 | -82.6 | -178.8 | 172 | -172.5 | -3.7 | 111.6 | L825 E826 A827 A831 K832 E833 | L825-R829 WeakPolarHBondContact O-CB 3.39Å; L825-R829 WeakPolarHBondContact O-CG 3.5Å; L825-R829 PolarHBondContact O-N 3.37Å; E826-R829 PolarHBondContact O-N 3.49Å; A827-R829 VanDerWaalsContact C-N 3.34Å; R829-A831 PolarHBondContact O-N 3.32Å; R829-K832 CarbonylContact O-C 3.49Å; R829-K832 PolarHBondContact O-N 2.98Å; R829-E833 WeakPolarHBondContact O-CB 3.46Å; R829-E833 PolarHBondContact O-N 2.91Å |
| 830 | R | 62.3 | Low | 63.1 | Low | 189 Ų | 189 | 137.2 Ų | 137.2 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.1 | -37.6 | 172 | -74.4 | 179.6 | -174.5 | 179.4 | 2.5 | 111.8 | E826 A827 K832 | E826-R830 WeakPolarHBondContact O-CG 3.38Å; E826-R830 PolarHBondContact O-N 3.05Å; A827-R830 PolarHBondContact O-N 3.44Å; R830-K832 PolarHBondContact O-N 2.9Å |
| 831 | A | 61.2 | Low | 61.3 | Low | 79 Ų | 79 | 136.5 Ų | 136.5 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -11.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A827 E828 R829 | A827-A831 WeakPolarHBondContact O-CB 3.47Å; A827-A831 PolarHBondContact O-N 3.29Å; E828-A831 PolarHBondContact O-N 2.9Å; R829-A831 PolarHBondContact O-N 3.32Å |
| 832 | K | 63.3 | Low | 59.8 | Low | 168 Ų | 168 | 136.8 Ų | 136.8 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -15.4 | 176.9 | -75.5 | 174.5 | 179.9 | 170.5 | 0 | 113.6 | E828 R829 R830 | E828-K832 WeakPolarHBondContact O-CB 3.42Å; E828-K832 WeakPolarHBondContact O-CG 3.42Å; E828-K832 PolarHBondContact O-N 2.93Å; E828-K832 VanDerWaalsContact O-N 3.13Å; R829-K832 CarbonylContact O-C 3.49Å; R829-K832 PolarHBondContact O-N 2.98Å; R830-K832 PolarHBondContact O-N 2.9Å |
| 833 | E | 57.6 | Low | 58.2 | Low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -90.1 | 2 | 178.1 | -78.7 | 178.7 | 173.4 | 0 | 0 | 113.6 | R829 P835 | R829-E833 WeakPolarHBondContact O-CB 3.46Å; R829-E833 PolarHBondContact O-N 2.91Å; E833-P835 WeakPolarHBondContact O-CD 3.44Å |
| 834 | E | 51 | Low | 56.8 | Low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -104.5 | 102.7 | 165.4 | -71.8 | -176.1 | 172.5 | 0 | 0 | 109.5 | G836 | E834-G836 PolarHBondContact O-N 3.44Š| ||
| 835 | P | 43 | Very low | 55.6 | Low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 71% | 0.713 | S | S | * | * | trans | -70 | 126 | 161.4 | 13.2 | -1.2 | 0 | 0 | 0 | 108 | E833 | E833-P835 WeakPolarHBondContact O-CD 3.44Š| ||
| 836 | G | 45.1 | Very low | 54.3 | Low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | -60.5 | 133.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E834 | E834-G836 PolarHBondContact O-N 3.44Š| ||
| 837 | E | 40.3 | Very low | 53.3 | Low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -156 | 114.7 | 144.8 | -89.2 | 177.9 | -172.5 | 0 | 0 | 100.7 | ||||
| 838 | E | 39.7 | Very low | 52.8 | Low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | cis | -158.2 | 131.8 | 44.7 | -72.7 | 166.5 | 146.1 | 0 | 0 | 109.7 | E840 | E838-E840 PolarHBondContact O-N 3.11Š| ||
| 839 | E | 43.1 | Very low | 52.2 | Low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -66.8 | 108 | 145.4 | -81 | 178.6 | 132.4 | 0 | 0 | 107.7 | ||||
| 840 | E | 42.6 | Very low | 52.1 | Low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | 168.5 | 72 | 144.8 | -98.8 | -173.4 | 153.5 | 0 | 0 | 111.9 | E838 | E838-E840 PolarHBondContact O-N 3.11Š| ||
| 841 | A | 46.2 | Very low | 52.4 | Low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -160.2 | 33.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 842 | I | 50.1 | Low | 52.7 | Low | 119 Ų | 119 | 137.6 Ų | 137.6 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | trans | -103.5 | 96.4 | 170 | -56.5 | 176 | 0 | 0 | 0 | 108.6 | E846 | I842-E846 HydrophobicContact CG2-CG 4.42Å; I842-E846 WeakPolarHBondContact CG2-OE2 3.46Å | ||
| 843 | R | 49.2 | Very low | 53 | Low | 234 Ų | 234 | 134 Ų | 134 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 161.8 | 92.2 | 150.9 | -94 | -178.2 | -80.9 | -169.4 | -2 | 106.7 | ||
| 844 | P | 51.8 | Low | 53.8 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | S | Bend | -155.3 | 37.5 | 74.6 | 38.7 | -15.5 | 0 | 0 | 0 | 115.1 | |||
| 845 | Q | 52.5 | Low | 55 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -101.3 | -20.4 | -179.4 | -80.6 | -179.3 | -16.8 | 0 | 0 | 114.9 | S848 Q849 | Q845-S848 PolarHBondContact O-N 3.41Å; Q845-Q849 PolarHBondContact O-N 3.19Å |
| 846 | E | 54.7 | Low | 56.5 | Low | 117 Ų | 117 | 130 Ų | 130 | 55% | 0.547 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -75.5 | -26.7 | 179.4 | -64.8 | -177.7 | 161.1 | 0 | 0 | 112.9 | I842 V850 | I842-E846 HydrophobicContact CG2-CG 4.42Å; I842-E846 WeakPolarHBondContact CG2-OE2 3.46Å; E846-V850 WeakPolarHBondContact O-CB 3.36Å; E846-V850 WeakPolarHBondContact O-CG2 3.33Å; E846-V850 PolarHBondContact O-N 3.32Å; E846-V850 VanDerWaalsContact O-N 3.11Å |
| 847 | A | 56.1 | Low | 57.8 | Low | 79 Ų | 79 | 131.7 Ų | 131.7 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70 | -33.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E851 | A847-E851 PolarHBondContact O-N 3.05Å |
| 848 | S | 59 | Low | 59.6 | Low | 74 Ų | 74 | 131.4 Ų | 131.4 | 52% | 0.517 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -77 | -34.9 | 177.4 | -168 | 0 | 0 | 0 | 0 | 112.3 | Q845 E852 | Q845-S848 PolarHBondContact O-N 3.41Å; S848-E852 WeakPolarHBondContact O-CB 3.45Å; S848-E852 PolarHBondContact O-N 2.8Å |
| 849 | Q | 58.8 | Low | 61.4 | Low | 111 Ų | 111 | 128 Ų | 128 | 52% | 0.519 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -73.2 | -34.7 | 177.4 | -74.2 | -179.6 | -5.9 | 0 | 0 | 112.2 | Q845 E852 I853 | Q845-Q849 PolarHBondContact O-N 3.19Å; Q849-E852 PolarHBondContact O-N 3.29Å; Q849-I853 WeakPolarHBondContact O-CB 3.28Å; Q849-I853 WeakPolarHBondContact O-CD1 3.46Å; Q849-I853 WeakPolarHBondContact O-CG1 3.43Å; Q849-I853 PolarHBondContact O-N 3.17Å |
| 850 | V | 66.6 | Low | 62.8 | Low | 84 Ų | 84 | 122.9 Ų | 122.9 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.5 | -35.9 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111.5 | E846 L854 | E846-V850 WeakPolarHBondContact O-CB 3.36Å; E846-V850 WeakPolarHBondContact O-CG2 3.33Å; E846-V850 PolarHBondContact O-N 3.32Å; E846-V850 VanDerWaalsContact O-N 3.11Å; V850-L854 HydrophobicContact CG1-CD1 4.09Å; V850-L854 WeakPolarHBondContact O-CB 3.5Å; V850-L854 PolarHBondContact O-N 3.23Å |
| 851 | E | 67.8 | Low | 64.3 | Low | 148 Ų | 148 | 119 Ų | 119 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70 | -35.3 | 174.6 | -160.1 | 171.2 | -159.3 | 0 | 0 | 112.1 | A847 R855 | A847-E851 PolarHBondContact O-N 3.05Å; E851-R855 WeakPolarHBondContact O-CB 3.41Å; E851-R855 PolarHBondContact O-N 3.02Å |
| 852 | E | 67.6 | Low | 65.7 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 55% | 0.551 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71 | -38 | 174.5 | -163.3 | 168.2 | -158.8 | 0 | 0 | 112.4 | S848 Q849 R855 L856 | S848-E852 WeakPolarHBondContact O-CB 3.45Å; S848-E852 PolarHBondContact O-N 2.8Å; Q849-E852 PolarHBondContact O-N 3.29Å; E852-R855 WeakPolarHBondContact O-CB 3.4Å; E852-R855 PolarHBondContact O-N 2.9Å; E852-L856 HydrophobicContact CG-CD1 4.46Å; E852-L856 WeakPolarHBondContact O-CB 3.22Å; E852-L856 VanDerWaalsContact O-CG 3.3Å; E852-L856 WeakPolarHBondContact O-CG 3.33Å; E852-L856 PolarHBondContact O-N 3.18Å |
| 853 | I | 70.3 | Confident | 66.6 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 48% | 0.482 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -44.1 | 173.5 | -69.4 | 163.7 | 0 | 0 | 0 | 110.9 | Q849 R855 L856 E857 | Q849-I853 WeakPolarHBondContact O-CB 3.28Å; Q849-I853 WeakPolarHBondContact O-CD1 3.46Å; Q849-I853 WeakPolarHBondContact O-CG1 3.43Å; Q849-I853 PolarHBondContact O-N 3.17Å; I853-R855 VanDerWaalsContact C-N 3.28Å; I853-R855 PolarHBondContact O-N 2.91Å; I853-L856 PolarHBondContact O-N 3.42Å; I853-E857 WeakPolarHBondContact O-CB 3.4Å; I853-E857 WeakPolarHBondContact O-CG 3.35Å; I853-E857 PolarHBondContact O-N 3.5Å |
| 854 | L | 74.4 | Confident | 67.6 | Low | 81 Ų | 81 | 110.1 Ų | 110.1 | 42% | 0.424 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -32.1 | 174.7 | -84.4 | 160.7 | 0 | 0 | 0 | 112.4 | V850 R858 | V850-L854 HydrophobicContact CG1-CD1 4.09Å; V850-L854 WeakPolarHBondContact O-CB 3.5Å; V850-L854 PolarHBondContact O-N 3.23Å; L854-R858 WeakPolarHBondContact O-CG 3.33Å; L854-R858 PolarHBondContact O-N 2.94Å |
| 855 | R | 77.3 | Confident | 68.5 | Low | 184 Ų | 184 | 112.8 Ų | 112.8 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.4 | -46.3 | 173 | -167.3 | 179.7 | -176.6 | 178.1 | 1.5 | 111.2 | E851 E852 I853 R858 E859 | E851-R855 WeakPolarHBondContact O-CB 3.41Å; E851-R855 PolarHBondContact O-N 3.02Å; E852-R855 WeakPolarHBondContact O-CB 3.4Å; E852-R855 PolarHBondContact O-N 2.9Å; I853-R855 VanDerWaalsContact C-N 3.28Å; I853-R855 PolarHBondContact O-N 2.91Å; R855-R858 PolarHBondContact O-N 3.47Å; R855-E859 PolarHBondContact O-N 3.19Å |
| 856 | L | 73.4 | Confident | 69.2 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 176.9 | -74.2 | 166.7 | 0 | 0 | 0 | 112.2 | E852 I853 E859 I860 | E852-L856 HydrophobicContact CG-CD1 4.46Å; E852-L856 WeakPolarHBondContact O-CB 3.22Å; E852-L856 VanDerWaalsContact O-CG 3.3Å; E852-L856 WeakPolarHBondContact O-CG 3.33Å; E852-L856 PolarHBondContact O-N 3.18Å; I853-L856 PolarHBondContact O-N 3.42Å; L856-E859 PolarHBondContact O-N 3.49Å; L856-I860 WeakPolarHBondContact O-CB 3.47Å; L856-I860 WeakPolarHBondContact O-CG1 3.27Å; L856-I860 PolarHBondContact O-N 2.87Å |
| 857 | E | 73 | Confident | 69.8 | Low | 112 Ų | 112 | 110.7 Ų | 110.7 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 175.3 | -78.3 | -174.5 | 157 | 0 | 0 | 112.4 | I853 E859 I860 Q861 | I853-E857 WeakPolarHBondContact O-CB 3.4Å; I853-E857 WeakPolarHBondContact O-CG 3.35Å; I853-E857 PolarHBondContact O-N 3.5Å; E857-E859 VanDerWaalsContact C-N 3.33Å; E857-I860 PolarHBondContact O-N 3.05Å; E857-Q861 WeakPolarHBondContact O-CG 3.38Å; E857-Q861 PolarHBondContact O-N 3.25Å |
| 858 | R | 78.1 | Confident | 70.3 | Confident | 181 Ų | 181 | 112.9 Ų | 112.9 | 68% | 0.683 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | 172.1 | -71.7 | 177.2 | -164.1 | 169.8 | 7.2 | 111.7 | L854 R855 Q861 A862 | L854-R858 WeakPolarHBondContact O-CG 3.33Å; L854-R858 PolarHBondContact O-N 2.94Å; R855-R858 PolarHBondContact O-N 3.47Å; R858-Q861 PolarHBondContact O-N 3.09Å; R858-A862 WeakPolarHBondContact O-CB 3.48Å; R858-A862 PolarHBondContact O-N 3.47Å |
| 859 | E | 76.4 | Confident | 70.3 | Confident | 109 Ų | 109 | 116.1 Ų | 116.1 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 176.5 | -128.5 | 170.7 | -161.5 | 0 | 0 | 112 | R855 L856 E857 A862 L863 | R855-E859 PolarHBondContact O-N 3.19Å; L856-E859 PolarHBondContact O-N 3.49Å; E857-E859 VanDerWaalsContact C-N 3.33Å; E859-A862 PolarHBondContact O-N 2.87Å; E859-L863 WeakPolarHBondContact O-CB 3.39Å; E859-L863 WeakPolarHBondContact O-CG 3.35Å; E859-L863 PolarHBondContact O-N 3.26Å |
| 860 | I | 72.2 | Confident | 70.2 | Confident | 89 Ų | 89 | 116.7 Ų | 116.7 | 46% | 0.456 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 174.9 | -70.1 | 164.7 | 0 | 0 | 0 | 110.8 | L856 E857 A862 L863 Q864 | L856-I860 WeakPolarHBondContact O-CB 3.47Å; L856-I860 WeakPolarHBondContact O-CG1 3.27Å; L856-I860 PolarHBondContact O-N 2.87Å; E857-I860 PolarHBondContact O-N 3.05Å; I860-A862 VanDerWaalsContact C-N 3.33Å; I860-A862 PolarHBondContact O-N 2.93Å; I860-L863 PolarHBondContact O-N 2.97Å; I860-Q864 HydrophobicContact CG2-CG 4.47Å; I860-Q864 WeakPolarHBondContact O-CB 3.45Å; I860-Q864 WeakPolarHBondContact O-CG 3.49Å; I860-Q864 PolarHBondContact O-N 3.45Å |
| 861 | Q | 74.3 | Confident | 69.7 | Low | 111 Ų | 111 | 118.3 Ų | 118.3 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 175.3 | -77.1 | -174.8 | -0.6 | 0 | 0 | 112.4 | E857 R858 R865 | E857-Q861 WeakPolarHBondContact O-CG 3.38Å; E857-Q861 PolarHBondContact O-N 3.25Å; R858-Q861 PolarHBondContact O-N 3.09Å; Q861-R865 WeakPolarHBondContact O-CG 3.33Å; Q861-R865 PolarHBondContact O-N 3.33Å; Q861-R865 VanDerWaalsContact O-N 3.1Å |
| 862 | A | 75.5 | Confident | 69.2 | Low | 54 Ų | 54 | 118.7 Ų | 118.7 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -45 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R858 E859 I860 Q864 R865 Q866 | R858-A862 WeakPolarHBondContact O-CB 3.48Å; R858-A862 PolarHBondContact O-N 3.47Å; E859-A862 PolarHBondContact O-N 2.87Å; I860-A862 VanDerWaalsContact C-N 3.33Å; I860-A862 PolarHBondContact O-N 2.93Å; A862-Q864 PolarHBondContact O-N 3.3Å; A862-R865 PolarHBondContact O-N 2.83Å; A862-Q866 WeakPolarHBondContact O-CB 3.39Å; A862-Q866 PolarHBondContact O-N 3.48Å |
| 863 | L | 70.5 | Confident | 68.7 | Low | 102 Ų | 102 | 116.9 Ų | 116.9 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -34.9 | 176.5 | -76.7 | 166.9 | 0 | 0 | 0 | 112.7 | E859 I860 Q866 K867 | E859-L863 WeakPolarHBondContact O-CB 3.39Å; E859-L863 WeakPolarHBondContact O-CG 3.35Å; E859-L863 PolarHBondContact O-N 3.26Å; I860-L863 PolarHBondContact O-N 2.97Å; L863-Q866 PolarHBondContact O-N 2.99Å; L863-K867 VanDerWaalsContact O-CB 3.27Å; L863-K867 WeakPolarHBondContact O-CB 3.48Å; L863-K867 PolarHBondContact O-N 3.41Å |
| 864 | Q | 69 | Low | 68.1 | Low | 113 Ų | 113 | 118.2 Ų | 118.2 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.8 | -41.4 | 174.6 | -77.5 | 175.8 | -13 | 0 | 0 | 111.9 | I860 A862 Q866 K867 E868 | I860-Q864 HydrophobicContact CG2-CG 4.47Å; I860-Q864 WeakPolarHBondContact O-CB 3.45Å; I860-Q864 WeakPolarHBondContact O-CG 3.49Å; I860-Q864 PolarHBondContact O-N 3.45Å; A862-Q864 PolarHBondContact O-N 3.3Å; Q864-Q866 VanDerWaalsContact C-N 3.33Å; Q864-Q866 PolarHBondContact O-N 2.89Å; Q864-K867 PolarHBondContact O-N 3.49Å; Q864-E868 PolarHBondContact O-N 3.1Å |
| 865 | R | 71.6 | Confident | 67.6 | Low | 170 Ų | 170 | 119.4 Ų | 119.4 | 64% | 0.642 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.3 | -36.2 | 172.1 | -73.1 | 179.9 | -175.3 | 161.1 | 4.2 | 112.3 | Q861 A862 E868 Q869 | Q861-R865 WeakPolarHBondContact O-CG 3.33Å; Q861-R865 PolarHBondContact O-N 3.33Å; Q861-R865 VanDerWaalsContact O-N 3.1Å; A862-R865 PolarHBondContact O-N 2.83Å; R865-E868 PolarHBondContact O-N 3.32Å; R865-Q869 WeakPolarHBondContact O-CB 3.35Å; R865-Q869 WeakPolarHBondContact O-CG 3.38Å; R865-Q869 PolarHBondContact O-N 3.48Å |
| 866 | Q | 66.6 | Low | 66.7 | Low | 107 Ų | 107 | 118.9 Ų | 118.9 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.5 | -35.7 | 175.7 | -149.8 | 179.4 | 23.4 | 0 | 0 | 111.8 | A862 L863 Q864 Q870 | A862-Q866 WeakPolarHBondContact O-CB 3.39Å; A862-Q866 PolarHBondContact O-N 3.48Å; L863-Q866 PolarHBondContact O-N 2.99Å; Q864-Q866 VanDerWaalsContact C-N 3.33Å; Q864-Q866 PolarHBondContact O-N 2.89Å; Q866-Q870 WeakPolarHBondContact O-CB 3.43Å; Q866-Q870 WeakPolarHBondContact O-CG 3.43Å; Q866-Q870 PolarHBondContact O-N 3.28Å |
| 867 | K | 67.9 | Low | 66 | Low | 117 Ų | 117 | 118.2 Ų | 118.2 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.9 | -43.5 | 172.2 | -174.9 | -174.4 | 170.8 | -167.5 | 0 | 111.8 | L863 Q864 Q869 Q870 E871 | L863-K867 VanDerWaalsContact O-CB 3.27Å; L863-K867 WeakPolarHBondContact O-CB 3.48Å; L863-K867 PolarHBondContact O-N 3.41Å; Q864-K867 PolarHBondContact O-N 3.49Å; K867-Q869 VanDerWaalsContact C-N 3.34Å; K867-Q869 PolarHBondContact O-N 2.9Å; K867-Q870 PolarHBondContact O-N 2.87Å; K867-E871 WeakPolarHBondContact CE-OE1 3.4Å; K867-E871 IonicContact NZ-OE1 2.83Å; K867-E871 WeakPolarHBondContact O-CB 3.14Å; K867-E871 WeakPolarHBondContact O-CG 3.39Å; K867-E871 PolarHBondContact O-N 3.5Å |
| 868 | E | 65.2 | Low | 65.3 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -36.4 | 175.7 | -76.2 | 177.4 | 165.5 | 0 | 0 | 111.7 | Q864 R865 L872 | Q864-E868 PolarHBondContact O-N 3.1Å; R865-E868 PolarHBondContact O-N 3.32Å; E868-L872 WeakPolarHBondContact O-CB 3.3Å; E868-L872 WeakPolarHBondContact O-CD1 3.33Å; E868-L872 WeakPolarHBondContact O-CG 3.49Å; E868-L872 PolarHBondContact O-N 3.34Å |
| 869 | Q | 59.4 | Low | 64.5 | Low | 142 Ų | 142 | 112.1 Ų | 112.1 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.7 | -31 | 171 | -74.4 | -178.1 | -12 | 0 | 0 | 113.5 | R865 K867 S873 | R865-Q869 WeakPolarHBondContact O-CB 3.35Å; R865-Q869 WeakPolarHBondContact O-CG 3.38Å; R865-Q869 PolarHBondContact O-N 3.48Å; K867-Q869 VanDerWaalsContact C-N 3.34Å; K867-Q869 PolarHBondContact O-N 2.9Å; Q869-S873 PolarHBondContact O-N 2.85Å; Q869-S873 PolarHBondContact O-OG 2.9Å |
| 870 | Q | 56.3 | Low | 63.9 | Low | 123 Ų | 123 | 112.1 Ų | 112.1 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.2 | -37.8 | 172.5 | -86.3 | -176.8 | -13.3 | 0 | 0 | 112.6 | Q866 K867 L872 S873 L874 | Q866-Q870 WeakPolarHBondContact O-CB 3.43Å; Q866-Q870 WeakPolarHBondContact O-CG 3.43Å; Q866-Q870 PolarHBondContact O-N 3.28Å; K867-Q870 PolarHBondContact O-N 2.87Å; Q870-L872 VanDerWaalsContact C-N 3.33Å; Q870-S873 WeakPolarHBondContact CA-OG 3.33Å; Q870-S873 PolarHBondContact O-N 3.49Å; Q870-S873 PolarHBondContact O-OG 2.9Å; Q870-L874 WeakPolarHBondContact O-CG 3.37Å; Q870-L874 PolarHBondContact O-N 2.97Å |
| 871 | E | 57.2 | Low | 63.6 | Low | 118 Ų | 118 | 117 Ų | 117 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.2 | -30.4 | 175.7 | -75.7 | 179.7 | 172.6 | 0 | 0 | 111.7 | K867 S873 | K867-E871 WeakPolarHBondContact CE-OE1 3.4Å; K867-E871 IonicContact NZ-OE1 2.83Å; K867-E871 WeakPolarHBondContact O-CB 3.14Å; K867-E871 WeakPolarHBondContact O-CG 3.39Å; K867-E871 PolarHBondContact O-N 3.5Å; E871-S873 VanDerWaalsContact C-N 3.31Å |
| 872 | L | 57.1 | Low | 63 | Low | 156 Ų | 156 | 117.7 Ų | 117.7 | 82% | 0.817 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -4 | 170.9 | -78.2 | 158.9 | 0 | 0 | 0 | 114.4 | E868 Q870 | E868-L872 WeakPolarHBondContact O-CB 3.3Å; E868-L872 WeakPolarHBondContact O-CD1 3.33Å; E868-L872 WeakPolarHBondContact O-CG 3.49Å; E868-L872 PolarHBondContact O-N 3.34Å; Q870-L872 VanDerWaalsContact C-N 3.33Å |
| 873 | S | 57.9 | Low | 62.7 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 3.9 | 177 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | Q869 Q870 E871 T875 | Q869-S873 PolarHBondContact O-N 2.85Å; Q869-S873 PolarHBondContact O-OG 2.9Å; Q870-S873 WeakPolarHBondContact CA-OG 3.33Å; Q870-S873 PolarHBondContact O-N 3.49Å; Q870-S873 PolarHBondContact O-OG 2.9Å; E871-S873 VanDerWaalsContact C-N 3.31Å; S873-T875 PolarHBondContact O-N 2.95Å |
| 874 | L | 56.2 | Low | 62.7 | Low | 123 Ų | 123 | 122.9 Ų | 122.9 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | trans | -81.5 | 104.3 | 174.1 | -79.5 | 163.9 | 0 | 0 | 0 | 111.5 | Q870 | Q870-L874 WeakPolarHBondContact O-CG 3.37Å; Q870-L874 PolarHBondContact O-N 2.97Å | ||
| 875 | T | 64.4 | Low | 62.9 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 64% | 0.644 | 60% | 0.596 | S | S | * | * | trans | -81.1 | 160.9 | 179.2 | 41.7 | 0 | 0 | 0 | 0 | 113.5 | S873 A877 S878 | S873-T875 PolarHBondContact O-N 2.95Å; T875-A877 PolarHBondContact O-N 2.87Å; T875-S878 PolarHBondContact O-N 3.33Å; T875-S878 PolarHBondContact O-OG 3.3Å | ||
| 876 | E | 58.1 | Low | 63.1 | Low | 173 Ų | 173 | 122.2 Ų | 122.2 | 81% | 0.808 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.8 | -22.4 | 177 | -72.4 | 178 | 137.5 | 0 | 0 | 115.6 | S878 L879 H880 | E876-S878 VanDerWaalsContact C-N 3.28Å; E876-S878 PolarHBondContact O-N 2.86Å; E876-L879 PolarHBondContact O-N 2.83Å; E876-H880 PolarHBondContact O-N 2.83Å |
| 877 | A | 58.5 | Low | 63.5 | Low | 73 Ų | 73 | 121.7 Ų | 121.7 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.8 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | T875 R881 | T875-A877 PolarHBondContact O-N 2.87Å; A877-R881 PolarHBondContact O-N 2.88Å |
| 878 | S | 60 | Low | 63.8 | Low | 51 Ų | 51 | 122 Ų | 122 | 36% | 0.357 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.8 | -29.6 | -179.4 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | T875 E876 R881 L882 | T875-S878 PolarHBondContact O-N 3.33Å; T875-S878 PolarHBondContact O-OG 3.3Å; E876-S878 VanDerWaalsContact C-N 3.28Å; E876-S878 PolarHBondContact O-N 2.86Å; S878-R881 PolarHBondContact O-N 3.37Å; S878-L882 PolarHBondContact O-N 2.82Å |
| 879 | L | 60.3 | Low | 64.2 | Low | 114 Ų | 114 | 121.1 Ų | 121.1 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.4 | -38.8 | 172.6 | -155.8 | 117.7 | 0 | 0 | 0 | 111.4 | E876 R881 L882 Q883 | E876-L879 PolarHBondContact O-N 2.83Å; L879-R881 VanDerWaalsContact C-N 3.34Å; L879-R881 PolarHBondContact O-N 3.48Å; L879-L882 PolarHBondContact O-N 3.35Å; L879-Q883 PolarHBondContact O-N 3.2Å; L879-Q883 VanDerWaalsContact O-N 3.15Å |
| 880 | H | 63.5 | Low | 64.7 | Low | 109 Ų | 109 | 118.4 Ų | 118.4 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.2 | -32.4 | 174.9 | -107.6 | -60.7 | 0 | 0 | 0 | 113.5 | E876 R884 | E876-H880 PolarHBondContact O-N 2.83Å; H880-R884 PolarHBondContact O-N 3.25Å; H880-R884 VanDerWaalsContact O-N 3.12Å |
| 881 | R | 65.2 | Low | 65.5 | Low | 192 Ų | 192 | 118.7 Ų | 118.7 | 73% | 0.725 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.3 | -39.4 | 176.6 | -167.4 | 177.6 | -176.9 | -170.7 | 1.1 | 112 | A877 S878 L879 L885 | A877-R881 PolarHBondContact O-N 2.88Å; S878-R881 PolarHBondContact O-N 3.37Å; L879-R881 VanDerWaalsContact C-N 3.34Å; L879-R881 PolarHBondContact O-N 3.48Å; R881-L885 WeakPolarHBondContact O-CG 3.47Å; R881-L885 PolarHBondContact O-N 2.84Å |
| 882 | L | 63.6 | Low | 66.5 | Low | 126 Ų | 126 | 120.8 Ų | 120.8 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70 | -34.7 | 176.4 | -83.9 | 161.9 | 0 | 0 | 0 | 112.7 | S878 L879 R886 | S878-L882 PolarHBondContact O-N 2.82Å; L879-L882 PolarHBondContact O-N 3.35Å; L882-R886 PolarHBondContact O-N 2.98Å |
| 883 | Q | 67.4 | Low | 67.2 | Low | 89 Ų | 89 | 118.3 Ų | 118.3 | 42% | 0.416 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.6 | -43.2 | 173.7 | -74.7 | 175.9 | -14.6 | 0 | 0 | 112.2 | L879 L885 R886 D887 | L879-Q883 PolarHBondContact O-N 3.2Å; L879-Q883 VanDerWaalsContact O-N 3.15Å; Q883-L885 VanDerWaalsContact C-N 3.35Å; Q883-L885 PolarHBondContact O-N 3.32Å; Q883-R886 WeakPolarHBondContact O-CB 3.38Å; Q883-R886 PolarHBondContact O-N 3.45Å; Q883-D887 PolarHBondContact O-N 2.83Å |
| 884 | R | 72.1 | Confident | 68 | Low | 176 Ų | 176 | 120.9 Ų | 120.9 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.3 | -40.1 | 175.9 | -76.9 | -172.5 | -159.7 | 169 | 6.9 | 113.5 | H880 R886 D887 Q888 | H880-R884 PolarHBondContact O-N 3.25Å; H880-R884 VanDerWaalsContact O-N 3.12Å; R884-R886 VanDerWaalsContact C-N 3.3Å; R884-R886 PolarHBondContact O-N 3.49Å; R884-D887 PolarHBondContact O-N 2.81Å; R884-Q888 WeakPolarHBondContact O-CG 3.47Å; R884-Q888 PolarHBondContact O-N 2.87Å |
| 885 | L | 72.5 | Confident | 68.7 | Low | 96 Ų | 96 | 120 Ų | 120 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.4 | -36.4 | 177.3 | -74.9 | 168.7 | 0 | 0 | 0 | 111.7 | R881 Q883 E889 | R881-L885 WeakPolarHBondContact O-CG 3.47Å; R881-L885 PolarHBondContact O-N 2.84Å; Q883-L885 VanDerWaalsContact C-N 3.35Å; Q883-L885 PolarHBondContact O-N 3.32Å; L885-E889 PolarHBondContact O-N 3.28Å |
| 886 | R | 75.3 | Confident | 68.9 | Low | 173 Ų | 173 | 120.6 Ų | 120.6 | 65% | 0.653 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.4 | -42 | 175 | 177.8 | -175.7 | 160.9 | -159.6 | -8.9 | 112.2 | L882 Q883 R884 E889 L890 | L882-R886 PolarHBondContact O-N 2.98Å; Q883-R886 WeakPolarHBondContact O-CB 3.38Å; Q883-R886 PolarHBondContact O-N 3.45Å; R884-R886 VanDerWaalsContact C-N 3.3Å; R884-R886 PolarHBondContact O-N 3.49Å; R886-E889 PolarHBondContact O-N 3.25Å; R886-L890 HydrophobicContact CG-CD1 4.37Å; R886-L890 PolarHBondContact O-N 2.88Å |
| 887 | D | 75.9 | Confident | 69.2 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.2 | -35.3 | -178 | -66.1 | -21.4 | 0 | 0 | 0 | 111.9 | Q883 R884 L890 Q891 | Q883-D887 PolarHBondContact O-N 2.83Å; R884-D887 PolarHBondContact O-N 2.81Å; D887-L890 PolarHBondContact O-N 3.48Å; D887-Q891 PolarHBondContact O-N 2.96Å; D887-Q891 VanDerWaalsContact O-N 3.14Å |
| 888 | Q | 73.9 | Confident | 69.6 | Low | 122 Ų | 122 | 115.4 Ų | 115.4 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -39 | 172.3 | -77.7 | -179.8 | -20.4 | 0 | 0 | 112.7 | R884 Q891 R892 | R884-Q888 WeakPolarHBondContact O-CG 3.47Å; R884-Q888 PolarHBondContact O-N 2.87Å; Q888-Q891 PolarHBondContact O-N 3.31Å; Q888-R892 PolarHBondContact O-N 2.88Å |
| 889 | E | 72.6 | Confident | 69.8 | Low | 108 Ų | 108 | 119.8 Ų | 119.8 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.4 | -34 | 179.1 | -150.7 | 68.9 | -166.3 | 0 | 0 | 112 | L885 R886 L893 | L885-E889 PolarHBondContact O-N 3.28Å; R886-E889 PolarHBondContact O-N 3.25Å; E889-L893 WeakPolarHBondContact O-CG 3.22Å; E889-L893 PolarHBondContact O-N 3.42Å |
| 890 | L | 70.7 | Confident | 69.8 | Low | 84 Ų | 84 | 116.9 Ų | 116.9 | 44% | 0.44 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.9 | -43.2 | 174 | -90.9 | 158.4 | 0 | 0 | 0 | 112 | R886 D887 R892 L893 E894 | R886-L890 HydrophobicContact CG-CD1 4.37Å; R886-L890 PolarHBondContact O-N 2.88Å; D887-L890 PolarHBondContact O-N 3.48Å; L890-R892 VanDerWaalsContact C-N 3.32Å; L890-R892 PolarHBondContact O-N 3.26Å; L890-L893 PolarHBondContact O-N 3.39Å; L890-E894 PolarHBondContact O-N 2.89Å; L890-E894 VanDerWaalsContact O-N 3.08Å |
| 891 | Q | 72.8 | Confident | 69.4 | Low | 129 Ų | 129 | 114.5 Ų | 114.5 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -37.3 | 179.7 | -142.1 | 170.4 | 9.4 | 0 | 0 | 111.8 | D887 Q888 L893 E894 D895 | D887-Q891 PolarHBondContact O-N 2.96Å; D887-Q891 VanDerWaalsContact O-N 3.14Å; Q888-Q891 PolarHBondContact O-N 3.31Å; Q891-L893 VanDerWaalsContact C-N 3.34Å; Q891-L893 PolarHBondContact O-N 2.97Å; Q891-E894 PolarHBondContact O-N 3.36Å; Q891-D895 PolarHBondContact O-N 3.46Å |
| 892 | R | 79 | Confident | 69 | Low | 162 Ų | 162 | 112 Ų | 112 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.6 | -39.6 | 175.6 | -154.1 | -178.8 | -169.2 | 175.2 | 3.8 | 112.5 | Q888 L890 E896 | Q888-R892 PolarHBondContact O-N 2.88Å; L890-R892 VanDerWaalsContact C-N 3.32Å; L890-R892 PolarHBondContact O-N 3.26Å; R892-E896 PolarHBondContact O-N 2.88Å; R892-E896 VanDerWaalsContact O-N 3.12Å |
| 893 | L | 71.6 | Confident | 68.7 | Low | 105 Ų | 105 | 114 Ų | 114 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72 | -32.4 | 177.3 | -71.2 | 169.2 | 0 | 0 | 0 | 112.6 | E889 L890 Q891 A897 | E889-L893 WeakPolarHBondContact O-CG 3.22Å; E889-L893 PolarHBondContact O-N 3.42Å; L890-L893 PolarHBondContact O-N 3.39Å; Q891-L893 VanDerWaalsContact C-N 3.34Å; Q891-L893 PolarHBondContact O-N 2.97Å; L893-A897 WeakPolarHBondContact O-CB 3.47Å; L893-A897 PolarHBondContact O-N 3.48Å |
| 894 | E | 74.5 | Confident | 67.8 | Low | 133 Ų | 133 | 119.3 Ų | 119.3 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69 | -40.6 | 174.1 | -75 | -175.6 | 161.4 | 0 | 0 | 112 | L890 Q891 A897 C898 | L890-E894 PolarHBondContact O-N 2.89Å; L890-E894 VanDerWaalsContact O-N 3.08Å; Q891-E894 PolarHBondContact O-N 3.36Å; E894-A897 PolarHBondContact O-N 3.13Å; E894-C898 WeakPolarHBondContact O-CB 3.38Å; E894-C898 PolarHBondContact O-N 3.43Å |
| 895 | D | 71.9 | Confident | 66.3 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 175.5 | -81.1 | -18.2 | 0 | 0 | 0 | 112.6 | Q891 C898 K899 | Q891-D895 PolarHBondContact O-N 3.46Å; D895-C898 PolarHBondContact O-N 3.04Å; D895-K899 WeakPolarHBondContact O-CB 3.34Å; D895-K899 WeakPolarHBondContact O-CG 3.38Å; D895-K899 PolarHBondContact O-N 3.11Å |
| 896 | E | 68.8 | Low | 66 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.5 | -39.3 | 172.2 | -79.6 | -176.6 | 173.9 | 0 | 0 | 111.9 | R892 K899 A900 | R892-E896 PolarHBondContact O-N 2.88Å; R892-E896 VanDerWaalsContact O-N 3.12Å; E896-K899 PolarHBondContact O-N 2.88Å; E896-A900 WeakPolarHBondContact O-CB 3.36Å; E896-A900 PolarHBondContact O-N 2.97Å |
| 897 | A | 62.6 | Low | 65.5 | Low | 61 Ų | 61 | 119.5 Ų | 119.5 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.6 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L893 E894 A900 A901 | L893-A897 WeakPolarHBondContact O-CB 3.47Å; L893-A897 PolarHBondContact O-N 3.48Å; E894-A897 PolarHBondContact O-N 3.13Å; A897-A900 PolarHBondContact O-N 3.35Å; A897-A901 WeakPolarHBondContact O-CB 3.42Å; A897-A901 PolarHBondContact O-N 2.96Å |
| 898 | C | 67.1 | Low | 64.9 | Low | 75 Ų | 75 | 120.8 Ų | 120.8 | 51% | 0.507 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.5 | -40.1 | 177.5 | -143.3 | 0 | 0 | 0 | 0 | 111.7 | E894 D895 A901 Q902 | E894-C898 WeakPolarHBondContact O-CB 3.38Å; E894-C898 PolarHBondContact O-N 3.43Å; D895-C898 PolarHBondContact O-N 3.04Å; C898-A901 PolarHBondContact O-N 3.3Å; C898-Q902 PolarHBondContact O-N 3.24Å |
| 899 | K | 65.2 | Low | 64.4 | Low | 144 Ų | 144 | 120.7 Ų | 120.7 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.6 | -40.1 | 171.9 | -79.3 | 177 | 178.6 | 172.6 | 0 | 112.7 | D895 E896 A901 Q902 Q903 | D895-K899 WeakPolarHBondContact O-CB 3.34Å; D895-K899 WeakPolarHBondContact O-CG 3.38Å; D895-K899 PolarHBondContact O-N 3.11Å; E896-K899 PolarHBondContact O-N 2.88Å; K899-A901 VanDerWaalsContact C-N 3.31Å; K899-A901 PolarHBondContact O-N 3.35Å; K899-Q902 PolarHBondContact O-N 3.47Å; K899-Q903 PolarHBondContact O-N 3.49Å; K899-Q903 VanDerWaalsContact O-N 3.15Å |
| 900 | A | 60 | Low | 63.9 | Low | 52 Ų | 52 | 121.5 Ų | 121.5 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.6 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E896 A897 | E896-A900 WeakPolarHBondContact O-CB 3.36Å; E896-A900 PolarHBondContact O-N 2.97Å; A897-A900 PolarHBondContact O-N 3.35Å |
| 901 | A | 54.9 | Low | 63.4 | Low | 59 Ų | 59 | 124 Ų | 124 | 49% | 0.488 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.2 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A897 C898 K899 Q903 F904 | A897-A901 WeakPolarHBondContact O-CB 3.42Å; A897-A901 PolarHBondContact O-N 2.96Å; C898-A901 PolarHBondContact O-N 3.3Å; K899-A901 VanDerWaalsContact C-N 3.31Å; K899-A901 PolarHBondContact O-N 3.35Å; A901-Q903 VanDerWaalsContact C-N 3.34Å; A901-F904 PolarHBondContact O-N 3.41Å |
| 902 | Q | 57.8 | Low | 62.8 | Low | 141 Ų | 141 | 123.6 Ų | 123.6 | 66% | 0.659 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.1 | -18.3 | 174.9 | -78.7 | -178.9 | -19.1 | 0 | 0 | 114.1 | C898 K899 | C898-Q902 PolarHBondContact O-N 3.24Å; K899-Q902 PolarHBondContact O-N 3.47Å |
| 903 | Q | 56 | Low | 61.5 | Low | 166 Ų | 166 | 120.7 Ų | 120.7 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -5.7 | 172 | -76.5 | -176.8 | -21.6 | 0 | 0 | 113.7 | K899 A901 | K899-Q903 PolarHBondContact O-N 3.49Å; K899-Q903 VanDerWaalsContact O-N 3.15Å; A901-Q903 VanDerWaalsContact C-N 3.34Å |
| 904 | F | 48 | Very low | 60.7 | Low | 202 Ų | 202 | 122 Ų | 122 | 89% | 0.886 | 64% | 0.642 | S | S | * | * | trans | -105 | -2.8 | 176 | -106.1 | -81.3 | 0 | 0 | 0 | 113.7 | A901 | A901-F904 PolarHBondContact O-N 3.41Š| ||
| 905 | L | 41.2 | Very low | 59.4 | Low | 209 Ų | 209 | 121 Ų | 121 | 100% | 1.094 | 64% | 0.643 | S | S | * | * | trans | -98.2 | 0 | 156.6 | -87.4 | 160.5 | 0 | 0 | 0 | 108 |
Retrieved 905 of 905 residues in 343.6 ms
(Link to these results)